88
Coordinates from ORCA-job orca E -6506.616862202653
  N      -1.583629      0.882658      5.460909
  Mo     -2.756299      2.361708      4.867536
  N      -4.319878      2.056199      5.957574
  C      -4.254774      2.345375      7.372497
  C      -2.807657      2.198833      7.846035
  N      -1.905561      2.894991      6.916079
  C      -0.537758      2.374824      7.012979
  C      -0.493710      0.980578      6.389910
  C      -1.882484      4.345903      7.166458
  C      -1.891838      4.998907      5.777270
  N      -2.948631      4.325671      5.065389
  H       0.475785      0.819781      5.887571
  H      -0.586470      0.199168      7.162807
  H       0.112812      3.047232      6.448138
  H      -0.204104      2.352506      8.058331
  H      -2.047187      6.082357      5.844125
  H      -0.932438      4.830528      5.274106
  H      -2.795143      4.639489      7.689927
  H      -1.017862      4.634953      7.771126
  H      -4.877595      1.649476      7.951658
  H      -4.632468      3.364539      7.568540
  H      -2.569468      1.133535      7.823620
  H      -2.681825      2.577882      8.867927
  C      -3.723717     -6.546309      3.368110
  C      -2.862558     -5.324042      3.489079
  O      -1.716302     -5.374167      3.895306
  C      -3.490015     -4.024297      3.126538
  C      -4.644514     -3.924137      2.342382
  C      -5.173736     -2.676309      2.061170
  C      -4.573737     -1.546596      2.572106
  F      -5.143342     -0.345808      2.285623
  C      -3.415444     -1.595641      3.374181
  C      -2.857210     -0.400118      3.961191
  O      -3.277788      0.743343      3.658237
  C      -1.701959     -0.438064      4.916282
  C      -2.893256     -2.872902      3.617538
  C      -5.436611     12.044887      2.478497
  C      -4.778198     10.695374      2.372841
  O      -3.933095     10.461123      1.525830
  C      -5.198862      9.658165      3.347450
  C      -6.130393      9.896156      4.370507
  C      -6.480634      8.870503      5.231167
  C      -5.900814      7.626440      5.098700
  F      -6.321118      6.647312      5.943181
  C      -4.945779      7.344609      4.103921
  C      -4.276717      6.062521      3.910320
  O      -3.770303      5.765597      2.818889
  C      -4.176184      5.085740      5.085205
  C      -4.638664      8.394570      3.231112
  C      -8.237472     -5.546571      4.337866
  C      -7.143544     -4.619197      4.795708
  O      -6.065884     -5.049954      5.176512
  C      -7.425948     -3.167716      4.759552
  C      -8.653988     -2.635389      4.333311
  C      -8.833117     -1.265512      4.313447
  C      -7.812978     -0.423094      4.709041
  F      -8.065677      0.912549      4.649953
  C      -6.567280     -0.905534      5.145794
  C      -5.417163     -0.095668      5.561083
  O      -4.345050     -0.621052      5.852846
  C      -5.549093      1.426875      5.571448
  C      -6.422097     -2.296720      5.156531
  H      -3.186502     -7.411889      3.747244
  H      -4.630125     -6.386468      3.949491
  H      -3.996161     -6.717618      2.329836
  H      -5.120611     -4.802197      1.941760
  H      -6.058730     -2.568841      1.453019
  H      -0.781718     -0.739526      4.377901
  H      -1.882013     -1.173606      5.714041
  H      -2.003972     -2.984873      4.217297
  H      -5.220750     12.487580      3.448492
  H      -6.514266     11.943940      2.371854
  H      -5.053749     12.693210      1.694207
  H      -6.586092     10.863079      4.494596
  H      -7.211394      9.022918      6.010433
  H      -4.262321      5.648349      6.023604
  H      -5.035964      4.404197      5.026590
  H      -3.921194      8.209154      2.444128
  H      -9.120816     -5.414576      4.958463
  H      -7.895377     -6.575658      4.415899
  H      -8.502737     -5.329552      3.305882
  H      -9.460801     -3.274294      4.018891
  H      -9.765361     -0.830042      3.987595
  H      -6.386994      1.711064      6.226581
  H      -5.812596      1.723823      4.549303
  H      -5.475186     -2.704518      5.481605
  N      -1.306137      2.756055      3.358092
  H      -0.612374      2.944712      2.635968
88
Coordinates from ORCA-job orca E -6506.643543823782
  N      -1.519777      0.875570      5.477774
  Mo     -2.666975      2.379112      4.883129
  N      -4.270861      2.061641      5.947775
  C      -4.220467      2.353447      7.374149
  C      -2.782068      2.186970      7.868421
  N      -1.849811      2.883658      6.950201
  C      -0.480248      2.342480      7.063047
  C      -0.444847      0.951746      6.431254
  C      -1.826615      4.346871      7.208489
  C      -1.818791      5.014275      5.830762
  N      -2.873458      4.344806      5.101567
  H       0.534878      0.788422      5.943399
  H      -0.557546      0.159719      7.196322
  H       0.187184      3.015101      6.512816
  H      -0.164175      2.311876      8.116388
  H      -1.978036      6.099233      5.908521
  H      -0.850838      4.853035      5.330234
  H      -2.749877      4.636114      7.724305
  H      -0.968009      4.625822      7.833329
  H      -4.857189      1.659930      7.944561
  H      -4.594456      3.376955      7.569787
  H      -2.550276      1.117250      7.846467
  H      -2.663733      2.562988      8.895633
  C      -3.863349     -6.473822      3.340147
  C      -2.941421     -5.289340      3.449279
  O      -1.804301     -5.377360      3.890316
  C      -3.502261     -3.963264      3.042584
  C      -4.634651     -3.833774      2.224315
  C      -5.124854     -2.572393      1.913214
  C      -4.507077     -1.453409      2.437847
  F      -5.048818     -0.249273      2.140090
  C      -3.366598     -1.532031      3.272406
  C      -2.790911     -0.357852      3.899156
  O      -3.194157      0.799452      3.620600
  C      -1.657072     -0.431234      4.882345
  C      -2.879573     -2.822087      3.535668
  C      -5.523286     12.035365      2.443529
  C      -4.825360     10.698389      2.364399
  O      -3.945963     10.483468      1.541258
  C      -5.244143      9.638617      3.332030
  C      -6.213212      9.848495      4.329283
  C      -6.561575      8.812601      5.186168
  C      -5.937128      7.582591      5.068188
  F      -6.350844      6.591735      5.900268
  C      -4.946469      7.327302      4.101034
  C      -4.227233      6.051614      3.924756
  O      -3.690641      5.775261      2.853795
  C      -4.123144      5.073099      5.106404
  C      -4.642072      8.386153      3.233242
  C      -8.280763     -5.608709      4.478325
  C      -7.201523     -4.665920      4.953504
  O      -6.139601     -5.090203      5.398612
  C      -7.465812     -3.200898      4.847759
  C      -8.664277     -2.673566      4.331158
  C      -8.829218     -1.299016      4.231956
  C      -7.814990     -0.448002      4.642008
  F      -8.036546      0.881438      4.498028
  C      -6.601994     -0.921146      5.173902
  C      -5.448328     -0.103761      5.608604
  O      -4.422529     -0.655677      5.995032
  C      -5.511528      1.431090      5.541041
  C      -6.473132     -2.316497      5.261969
  H      -3.375884     -7.358495      3.756284
  H      -4.784646     -6.250120      3.899966
  H      -4.126234     -6.663517      2.293079
  H      -5.132644     -4.710131      1.822192
  H      -5.998926     -2.444734      1.279844
  H      -0.732041     -0.736793      4.347801
  H      -1.863408     -1.191596      5.654916
  H      -2.007076     -2.955920      4.170364
  H      -5.351145     12.493154      3.424720
  H      -6.603200     11.909560      2.305032
  H      -5.130604     12.693169      1.664577
  H      -6.703912     10.810360      4.438610
  H      -7.324353      8.944638      5.949599
  H      -4.248594      5.627277      6.050020
  H      -4.968396      4.369955      5.023344
  H      -3.892248      8.219374      2.462637
  H      -9.201083     -5.450800      5.052348
  H      -7.945969     -6.640075      4.611873
  H      -8.501703     -5.430386      3.419560
  H      -9.465802     -3.325387      3.998617
  H      -9.742210     -0.867750      3.828940
  H      -6.363575      1.757675      6.158663
  H      -5.741326      1.707722      4.500368
  H      -5.543368     -2.718827      5.658403
  N      -1.242426      2.774468      3.460166
  H      -0.549243      2.945203      2.727266
88
Coordinates from ORCA-job orca E -6506.665866133253
  N      -1.461218      0.856214      5.498964
  Mo     -2.594583      2.382472      4.910833
  N      -4.219510      2.068906      5.991493
  C      -4.138645      2.362804      7.427145
  C      -2.694383      2.183590      7.901701
  N      -1.755163      2.875737      6.964497
  C      -0.383669      2.312788      7.066507
  C      -0.376983      0.918651      6.444739
  C      -1.721084      4.353798      7.214695
  C      -1.731419      5.022829      5.842685
  N      -2.804620      4.356307      5.129321
  H       0.599328      0.742585      5.949026
  H      -0.492363      0.128076      7.215189
  H       0.286957      2.978002      6.507139
  H      -0.060009      2.286165      8.119529
  H      -1.888933      6.109869      5.925674
  H      -0.771078      4.861097      5.319884
  H      -2.639580      4.644741      7.744008
  H      -0.851825      4.623423      7.834434
  H      -4.774065      1.675464      8.008785
  H      -4.500124      3.391314      7.628803
  H      -2.466101      1.111042      7.879462
  H      -2.555421      2.563092      8.927429
  C      -3.792219     -6.498790      3.432916
  C      -2.898385     -5.285451      3.514014
  O      -1.749076     -5.337414      3.942042
  C      -3.485373     -3.962967      3.094916
  C      -4.632013     -3.852768      2.287224
  C      -5.145125     -2.598892      1.957465
  C      -4.530439     -1.460502      2.458518
  F      -5.088366     -0.275775      2.149970
  C      -3.376789     -1.520820      3.283260
  C      -2.781607     -0.347405      3.905777
  O      -3.175841      0.819714      3.637749
  C      -1.641234     -0.439323      4.879459
  C      -2.870477     -2.803501      3.563352
  C      -5.667909     11.982009      2.388606
  C      -4.936110     10.658536      2.330238
  O      -4.046443     10.453934      1.509878
  C      -5.325805      9.587193      3.311934
  C      -6.302702      9.779601      4.307132
  C      -6.628049      8.743995      5.180566
  C      -5.963892      7.527743      5.071332
  F      -6.346441      6.532903      5.911638
  C      -4.966985      7.289959      4.108021
  C      -4.203884      6.017786      3.943159
  O      -3.667445      5.750843      2.883163
  C      -4.072062      5.052572      5.141816
  C      -4.686708      8.346123      3.226306
  C      -8.413224     -5.521904      4.304227
  C      -7.316835     -4.612935      4.813114
  O      -6.259790     -5.070224      5.246925
  C      -7.543060     -3.129398      4.759564
  C      -8.727060     -2.554923      4.254631
  C      -8.864538     -1.170310      4.195437
  C      -7.824499     -0.359881      4.638972
  F      -8.000809      0.975449      4.540457
  C      -6.627167     -0.879680      5.162506
  C      -5.448271     -0.089463      5.624849
  O      -4.440906     -0.677066      6.004372
  C      -5.472071      1.450068      5.576794
  C      -6.527659     -2.281872      5.209732
  H      -3.271610     -7.366399      3.854991
  H      -4.719150     -6.298640      4.002957
  H      -4.067547     -6.713947      2.386834
  H      -5.127746     -4.746613      1.903042
  H      -6.032148     -2.490067      1.329314
  H      -0.730579     -0.761709      4.324903
  H      -1.853747     -1.208972      5.645721
  H      -1.983690     -2.919141      4.192463
  H      -5.513717     12.463146      3.368763
  H      -6.751184     11.832429      2.249872
  H      -5.286188     12.639665      1.598765
  H      -6.821995     10.735529      4.404273
  H      -7.398913      8.863336      5.946011
  H      -4.213682      5.609546      6.085590
  H      -4.904586      4.330150      5.062799
  H      -3.928070      8.190299      2.454760
  H      -9.340403     -5.367866      4.880615
  H      -8.094556     -6.566014      4.405355
  H      -8.634169     -5.306073      3.245631
  H      -9.545899     -3.182273      3.895673
  H      -9.769003     -0.701735      3.800027
  H      -6.322698      1.785092      6.195520
  H      -5.698968      1.745733      4.538093
  H      -5.604994     -2.719971      5.598109
  N      -1.270444      2.754330      3.557115
  H      -0.614917      2.886517      2.780566
88
Coordinates from ORCA-job orca E -6506.679748795870
  N      -1.436368      0.832975      5.528456
  Mo     -2.536533      2.388892      4.921360
  N      -4.204273      2.077371      5.988086
  C      -4.118785      2.379764      7.424268
  C      -2.679258      2.186377      7.907409
  N      -1.715481      2.866449      6.976010
  C      -0.352252      2.278511      7.096534
  C      -0.365615      0.878407      6.487450
  C      -1.671341      4.351047      7.224530
  C      -1.676577      5.026963      5.860381
  N      -2.754445      4.372110      5.144160
  H       0.615850      0.684202      6.007079
  H      -0.502681      0.094238      7.261657
  H       0.334047      2.932982      6.543353
  H      -0.044493      2.255582      8.154296
  H      -1.831915      6.114131      5.950568
  H      -0.719058      4.865308      5.331880
  H      -2.591538      4.641213      7.751665
  H      -0.804356      4.605106      7.854959
  H      -4.763041      1.701104      8.006758
  H      -4.470979      3.412383      7.620569
  H      -2.456757      1.112731      7.890221
  H      -2.538677      2.570285      8.931226
  C      -3.873780     -6.463114      3.402648
  C      -2.963969     -5.264321      3.498839
  O      -1.825403     -5.330137      3.953094
  C      -3.514156     -3.927979      3.064874
  C      -4.642000     -3.794469      2.234657
  C      -5.128768     -2.533047      1.891614
  C      -4.504279     -1.403525      2.406347
  F      -5.031280     -0.210335      2.094727
  C      -3.370211     -1.488260      3.252147
  C      -2.765784     -0.329381      3.893956
  O      -3.149161      0.843286      3.627264
  C      -1.642700     -0.445932      4.884744
  C      -2.888056     -2.778662      3.543913
  C      -5.741873     11.946248      2.371120
  C      -4.982358     10.639276      2.324457
  O      -4.076921     10.452868      1.517125
  C      -5.359474      9.554456      3.299682
  C      -6.353325      9.724099      4.280787
  C      -6.670835      8.683920      5.153000
  C      -5.975436      7.482806      5.049243
  F      -6.342573      6.477008      5.883081
  C      -4.963318      7.269004      4.099766
  C      -4.164893      6.005142      3.942923
  O      -3.614272      5.751909      2.891062
  C      -4.028935      5.047215      5.152255
  C      -4.690792      8.327699      3.221007
  C      -8.398048     -5.519612      4.352072
  C      -7.314512     -4.601643      4.867749
  O      -6.264004     -5.048107      5.327590
  C      -7.534864     -3.116156      4.789755
  C      -8.704484     -2.547913      4.248274
  C      -8.841727     -1.164151      4.158826
  C      -7.806284     -0.350589      4.612927
  F      -7.968919      0.982644      4.488143
  C      -6.624799     -0.866229      5.174316
  C      -5.446320     -0.068505      5.648442
  O      -4.458373     -0.658297      6.071102
  C      -5.453939      1.467457      5.563481
  C      -6.526735     -2.265555      5.250713
  H      -3.373506     -7.336274      3.838165
  H      -4.813230     -6.252284      3.947767
  H      -4.131061     -6.678961      2.351430
  H      -5.147103     -4.680958      1.843800
  H      -6.001529     -2.408781      1.246939
  H      -0.735143     -0.784299      4.332597
  H      -1.879314     -1.224255      5.636025
  H      -2.017080     -2.910486      4.190999
  H      -5.615825     12.433196      3.353152
  H      -6.821154     11.777663      2.218778
  H      -5.361413     12.610477      1.586084
  H      -6.893884     10.669709      4.368655
  H      -7.454084      8.785913      5.907965
  H      -4.194755      5.603103      6.093890
  H      -4.850796      4.314631      5.063048
  H      -3.918823      8.188924      2.459349
  H      -9.339174     -5.360146      4.905082
  H      -8.078049     -6.561046      4.475260
  H      -8.602903     -5.321201      3.286229
  H      -9.515134     -3.182241      3.881275
  H      -9.735238     -0.701041      3.733797
  H      -6.312570      1.824114      6.160808
  H      -5.665146      1.747322      4.517379
  H      -5.614074     -2.698588      5.667548
  N      -1.297654      2.739457      3.653224
  H      -0.681633      2.831289      2.841893
88
Coordinates from ORCA-job orca E -6506.686537883020
  N      -1.390719      0.799632      5.552621
  Mo     -2.452141      2.380246      4.910249
  N      -4.153996      2.089159      5.967932
  C      -4.056727      2.414723      7.395939
  C      -2.620663      2.208779      7.885518
  N      -1.634904      2.864045      6.955213
  C      -0.284223      2.250626      7.092499
  C      -0.327227      0.836523      6.516946
  C      -1.575218      4.351508      7.191912
  C      -1.599533      5.023236      5.828555
  N      -2.691154      4.371281      5.133960
  H       0.654663      0.610554      6.050926
  H      -0.484298      0.074693      7.309294
  H       0.415841      2.882946      6.531376
  H       0.015284      2.246069      8.152552
  H      -1.755302      6.110073      5.920858
  H      -0.653383      4.861238      5.281113
  H      -2.488417      4.642861      7.729446
  H      -0.702919      4.596238      7.818340
  H      -4.709843      1.754513      7.989957
  H      -4.394507      3.454663      7.578357
  H      -2.407622      1.133739      7.884030
  H      -2.474634      2.606493      8.902868
  C      -3.858968     -6.481948      3.514127
  C      -2.957079     -5.279017      3.595095
  O      -1.818180     -5.335595      4.045328
  C      -3.506799     -3.948164      3.144751
  C      -4.639002     -3.820943      2.321177
  C      -5.118373     -2.564623      1.955085
  C      -4.483414     -1.428965      2.443179
  F      -5.002244     -0.237130      2.114423
  C      -3.348127     -1.507665      3.285317
  C      -2.734319     -0.344829      3.910983
  O      -3.119937      0.826597      3.636748
  C      -1.616125     -0.468761      4.904934
  C      -2.872655     -2.795049      3.599654
  C      -5.907364     11.861102      2.394187
  C      -5.109282     10.579501      2.345175
  O      -4.201589     10.421360      1.536113
  C      -5.449906      9.483046      3.318907
  C      -6.445494      9.622340      4.301381
  C      -6.729837      8.576116      5.176416
  C      -5.998465      7.397671      5.070243
  F      -6.330122      6.380980      5.906590
  C      -4.985291      7.214690      4.116967
  C      -4.148339      5.973258      3.955803
  O      -3.602758      5.732762      2.895812
  C      -3.970412      5.028973      5.171638
  C      -4.744716      8.278414      3.237287
  C      -8.492019     -5.383150      4.201529
  C      -7.401265     -4.502009      4.759113
  O      -6.368388     -4.980085      5.222941
  C      -7.586511     -3.012089      4.713410
  C      -8.725848     -2.407712      4.150791
  C      -8.829909     -1.021443      4.079994
  C      -7.787709     -0.242424      4.575069
  F      -7.913296      1.097505      4.468082
  C      -6.637296     -0.796357      5.163467
  C      -5.449366     -0.029936      5.672140
  O      -4.495403     -0.643037      6.137487
  C      -5.408727      1.500084      5.549195
  C      -6.572701     -2.196672      5.220771
  H      -3.350366     -7.347130      3.953969
  H      -4.797357     -6.276779      4.058434
  H      -4.119903     -6.708552      2.467039
  H      -5.152976     -4.710600      1.952321
  H      -5.992621     -2.446699      1.313167
  H      -0.716103     -0.826946      4.351644
  H      -1.864400     -1.248373      5.651125
  H      -1.999744     -2.921624      4.242722
  H      -5.797211     12.351050      3.375487
  H      -6.980943     11.661654      2.246201
  H      -5.548920     12.536505      1.609349
  H      -7.013178     10.550647      4.388439
  H      -7.512732      8.654961      5.932554
  H      -4.134564      5.587188      6.112037
  H      -4.782822      4.285351      5.097848
  H      -3.972697      8.163141      2.473340
  H      -9.440299     -5.217964      4.738302
  H      -8.195546     -6.433053      4.303751
  H      -8.675409     -5.153884      3.139073
  H      -9.538276     -3.017031      3.750191
  H      -9.698903     -0.530938      3.638475
  H      -6.267433      1.897603      6.122334
  H      -5.606354      1.757579      4.495433
  H      -5.682933     -2.658115      5.653271
  N      -1.265148      2.711147      3.650865
  H      -0.696651      2.762713      2.802598
88
Coordinates from ORCA-job orca E -6506.692151458431
  N      -1.393188      0.769180      5.588879
  Mo     -2.395994      2.378265      4.900779
  N      -4.140865      2.111484      5.924152
  C      -4.047854      2.463143      7.342564
  C      -2.623040      2.240997      7.858072
  N      -1.600637      2.864922      6.943597
  C      -0.269951      2.218647      7.112799
  C      -0.346884      0.792013      6.570317
  C      -1.516473      4.352629      7.170103
  C      -1.544120      5.018711      5.805137
  N      -2.649137      4.377618      5.123358
  H       0.636745      0.525555      6.130885
  H      -0.538022      0.056944      7.379544
  H       0.453545      2.822536      6.550787
  H       0.011376      2.231468      8.177607
  H      -1.691690      6.106675      5.896711
  H      -0.606385      4.847659      5.248267
  H      -2.423955      4.652821      7.711468
  H      -0.642392      4.583174      7.798417
  H      -4.716865      1.823750      7.941765
  H      -4.372034      3.510616      7.506915
  H      -2.426384      1.163777      7.876509
  H      -2.483872      2.651985      8.870628
  C      -3.916829     -6.482475      3.502841
  C      -3.015231     -5.284959      3.620811
  O      -1.892680     -5.350471      4.105506
  C      -3.541556     -3.949309      3.161354
  C      -4.654476     -3.808416      2.315788
  C      -5.108053     -2.548398      1.937217
  C      -4.468772     -1.420379      2.434615
  F      -4.960881     -0.220555      2.089591
  C      -3.354178     -1.511838      3.300701
  C      -2.737791     -0.352443      3.930308
  O      -3.116636      0.818884      3.647079
  C      -1.635000     -0.489525      4.938431
  C      -2.903263     -2.804656      3.628344
  C      -5.992031     11.824498      2.421436
  C      -5.168436     10.560998      2.368344
  O      -4.257496     10.425368      1.560560
  C      -5.488240      9.455673      3.335723
  C      -6.487447      9.572153      4.316306
  C      -6.751441      8.520263      5.189174
  C      -5.997331      7.358139      5.080992
  F      -6.305721      6.333025      5.917204
  C      -4.982092      7.197602      4.126688
  C      -4.123040      5.973837      3.962918
  O      -3.581150      5.739659      2.896182
  C      -3.922507      5.039474      5.181505
  C      -4.759700      8.266821      3.250461
  C      -8.455884     -5.354974      4.214734
  C      -7.376272     -4.466075      4.777996
  O      -6.350158     -4.936448      5.260784
  C      -7.564135     -2.979680      4.715491
  C      -8.689197     -2.384708      4.118423
  C      -8.793479     -1.001193      4.028005
  C      -7.764920     -0.215363      4.537125
  F      -7.894342      1.124443      4.412304
  C      -6.628717     -0.760862      5.160829
  C      -5.449507      0.010900      5.683732
  O      -4.518929     -0.592435      6.206334
  C      -5.389534      1.531626      5.503676
  C      -6.564200     -2.158521      5.238073
  H      -3.423861     -7.352224      3.949333
  H      -4.871593     -6.282808      4.015101
  H      -4.145618     -6.698536      2.447463
  H      -5.173476     -4.690943      1.940949
  H      -5.965582     -2.420204      1.277046
  H      -0.738773     -0.872391      4.394598
  H      -1.905779     -1.269010      5.677141
  H      -2.045097     -2.943026      4.285824
  H      -5.896133     12.311437      3.404252
  H      -7.060183     11.604683      2.272662
  H      -5.646604     12.510334      1.641053
  H      -7.072670     10.487700      4.403673
  H      -7.535172      8.582008      5.944018
  H      -4.080890      5.603281      6.119041
  H      -4.736433      4.297994      5.118604
  H      -3.986727      8.169287      2.486837
  H      -9.412049     -5.185774      4.733241
  H      -8.159077     -6.402328      4.331810
  H      -8.625962     -5.137016      3.149138
  H      -9.489854     -3.000033      3.707425
  H      -9.652037     -0.518232      3.561763
  H      -6.256040      1.964571      6.040471
  H      -5.568667      1.749537      4.438585
  H      -5.685852     -2.613225      5.697278
  N      -1.221193      2.691351      3.622984
  H      -0.697714      2.701802      2.744607
88
Coordinates from ORCA-job orca E -6506.696201568438
  N      -1.390851      0.745044      5.621030
  Mo     -2.347223      2.369656      4.891253
  N      -4.126718      2.126065      5.884021
  C      -4.029033      2.507786      7.291911
  C      -2.613186      2.278279      7.828702
  N      -1.561729      2.872661      6.923598
  C      -0.247520      2.202105      7.119772
  C      -0.354483      0.764087      6.612918
  C      -1.452909      4.361544      7.132502
  C      -1.494469      5.012242      5.759898
  N      -2.618297      4.377183      5.100507
  H       0.626824      0.459885      6.195086
  H      -0.572006      0.058797      7.441131
  H       0.492145      2.777445      6.549029
  H       0.025549      2.237199      8.186522
  H      -1.630957      6.102515      5.843681
  H      -0.568260      4.827036      5.190054
  H      -2.348784      4.676595      7.684910
  H      -0.570038      4.584863      7.750324
  H      -4.707443      1.889589      7.903226
  H      -4.342520      3.561719      7.437426
  H      -2.431163      1.199714      7.871049
  H      -2.481655      2.706460      8.834985
  C      -3.920892     -6.509799      3.531122
  C      -3.031244     -5.307400      3.675014
  O      -1.915705     -5.370951      4.175770
  C      -3.557432     -3.973109      3.214224
  C      -4.665398     -3.832611      2.362464
  C      -5.110519     -2.573290      1.975036
  C      -4.469420     -1.445542      2.468972
  F      -4.951299     -0.245364      2.107541
  C      -3.361991     -1.535649      3.344913
  C      -2.743205     -0.372031      3.966766
  O      -3.123357      0.795830      3.673841
  C      -1.643844     -0.511015      4.976648
  C      -2.919775     -2.828910      3.682195
  C      -6.072347     11.803855      2.459854
  C      -5.228843     10.554178      2.396776
  O      -4.320099     10.437591      1.583611
  C      -5.526624      9.440867      3.360308
  C      -6.522300      9.538535      4.346417
  C      -6.764351      8.480426      5.217601
  C      -5.993264      7.331097      5.102209
  F      -6.278481      6.299352      5.939445
  C      -4.982520      7.188277      4.139926
  C      -4.109376      5.979257      3.967459
  O      -3.581360      5.748424      2.892051
  C      -3.880494      5.053925      5.185566
  C      -4.780777      8.263604      3.266007
  C      -8.452266     -5.312402      4.154976
  C      -7.376190     -4.428192      4.732128
  O      -6.354823     -4.904372      5.219494
  C      -7.562469     -2.942376      4.676075
  C      -8.675783     -2.344171      4.061029
  C      -8.777230     -0.960477      3.975796
  C      -7.758445     -0.177523      4.506404
  F      -7.889862      1.163715      4.387147
  C      -6.633873     -0.725797      5.148285
  C      -5.461931      0.042644      5.691454
  O      -4.552914     -0.558247      6.252880
  C      -5.375889      1.556396      5.469246
  C      -6.571706     -2.123861      5.220711
  H      -3.426957     -7.380685      3.973721
  H      -4.885325     -6.325259      4.030031
  H      -4.132543     -6.714545      2.470011
  H      -5.185663     -4.714855      1.989355
  H      -5.962075     -2.444662      1.307427
  H      -0.753669     -0.913006      4.435831
  H      -1.923660     -1.288043      5.715010
  H      -2.064934     -2.969537      4.343169
  H      -5.981164     12.287053      3.444639
  H      -7.137432     11.567661      2.316256
  H      -5.742279     12.499292      1.681659
  H      -7.121099     10.444273      4.439243
  H      -7.544349      8.527953      5.977093
  H      -4.016070      5.628867      6.119501
  H      -4.703109      4.320858      5.145479
  H      -4.012107      8.180645      2.496814
  H      -9.412933     -5.143276      4.664399
  H      -8.159014     -6.360880      4.268752
  H      -8.613567     -5.088302      3.089559
  H      -9.469284     -2.957168      3.633927
  H      -9.627789     -0.474877      3.498190
  H      -6.243257      2.020810      5.978738
  H      -5.544504      1.742749      4.396387
  H      -5.702661     -2.580985      5.694582
  N      -1.196570      2.657397      3.577020
  H      -0.737327      2.617654      2.664049
88
Coordinates from ORCA-job orca E -6506.698941246561
  N      -1.409620      0.727982      5.652203
  Mo     -2.311797      2.365323      4.879752
  N      -4.127944      2.143752      5.821654
  C      -4.040608      2.557551      7.220510
  C      -2.640253      2.320321      7.794143
  N      -1.551054      2.882613      6.909351
  C      -0.257469      2.184766      7.144049
  C      -0.393263      0.739517      6.666113
  C      -1.412187      4.371793      7.101455
  C      -1.454721      5.005232      5.719841
  N      -2.594786      4.378924      5.074707
  H       0.586808      0.396355      6.278632
  H      -0.649111      0.062362      7.506472
  H       0.504493      2.728594      6.571399
  H       0.000608      2.238824      8.213789
  H      -1.574392      6.098455      5.791909
  H      -0.535618      4.799928      5.146309
  H      -2.296388      4.709148      7.660002
  H      -0.520862      4.586325      7.709572
  H      -4.734726      1.961956      7.837245
  H      -4.344362      3.617519      7.341876
  H      -2.476129      1.240558      7.863346
  H      -2.529969      2.765973      8.795186
  C      -3.965820     -6.515943      3.503386
  C      -3.077232     -5.318826      3.690705
  O      -1.983856     -5.390922      4.238321
  C      -3.579725     -3.980552      3.217005
  C      -4.661513     -3.831249      2.333491
  C      -5.084347     -2.567802      1.934846
  C      -4.448388     -1.446086      2.447958
  F      -4.908145     -0.242433      2.068461
  C      -3.367179     -1.544656      3.356121
  C      -2.752154     -0.382608      3.986708
  O      -3.128111      0.783745      3.687299
  C      -1.665155     -0.527105      5.008245
  C      -2.946470     -2.841887      3.704570
  C      -6.108070     11.820716      2.514108
  C      -5.247896     10.582555      2.441908
  O      -4.333089     10.487273      1.632230
  C      -5.537146      9.455271      3.391112
  C      -6.538768      9.530223      4.373404
  C      -6.770560      8.459873      5.232503
  C      -5.984563      7.321644      5.109166
  F      -6.257542      6.279399      5.937662
  C      -4.969268      7.199942      4.148231
  C      -4.083843      6.003454      3.966483
  O      -3.559214      5.782663      2.887802
  C      -3.842294      5.077269      5.179811
  C      -4.776848      8.287592      3.287057
  C      -8.416720     -5.336262      4.226514
  C      -7.343852     -4.435655      4.785064
  O      -6.322843     -4.899463      5.286200
  C      -7.535696     -2.952481      4.695021
  C      -8.642878     -2.373115      4.050690
  C      -8.749514     -0.991690      3.936021
  C      -7.743434     -0.192009      4.465631
  F      -7.883761      1.145937      4.321220
  C      -6.625022     -0.719840      5.133725
  C      -5.467503      0.066743      5.680453
  O      -4.579262     -0.510953      6.296556
  C      -5.371077      1.572143      5.403093
  C      -6.556671     -2.116322      5.235610
  H      -3.493677     -7.393040      3.957262
  H      -4.948320     -6.329592      3.965646
  H      -4.137124     -6.710479      2.433089
  H      -5.179569     -4.708858      1.947023
  H      -5.915100     -2.431081      1.243023
  H      -0.774205     -0.942747      4.479010
  H      -1.959711     -1.302029      5.743627
  H      -2.111254     -2.992032      4.388376
  H      -6.029664     12.293386      3.505101
  H      -7.169108     11.572018      2.361695
  H      -5.782872     12.529638      1.746196
  H      -7.149350     10.427291      4.472705
  H      -7.553992      8.490006      5.989454
  H      -3.953459      5.659842      6.112356
  H      -4.677898      4.358187      5.156087
  H      -4.004888      8.222253      2.519520
  H      -9.379540     -5.155862      4.727963
  H      -8.122318     -6.381135      4.366689
  H      -8.575251     -5.138734      3.155383
  H      -9.427654     -2.998937      3.626279
  H      -9.596642     -0.520407      3.438287
  H      -6.245057      2.062125      5.876360
  H      -5.519830      1.716751      4.320933
  H      -5.693237     -2.558239      5.733711
  N      -1.179707      2.617736      3.545305
  H      -0.784159      2.524071      2.606753
88
Coordinates from ORCA-job orca E -6506.700816387474
  N      -1.421162      0.711496      5.673037
  Mo     -2.288122      2.348779      4.867431
  N      -4.118717      2.161796      5.782438
  C      -4.026286      2.607617      7.171447
  C      -2.634806      2.364965      7.765116
  N      -1.524031      2.894048      6.884658
  C      -0.246830      2.174165      7.142782
  C      -0.413375      0.722390      6.698008
  C      -1.355294      4.383444      7.048593
  C      -1.416405      4.989864      5.653930
  N      -2.577351      4.365672      5.038908
  H       0.559870      0.343313      6.329105
  H      -0.696606      0.073647      7.551933
  H       0.527294      2.684594      6.555200
  H       0.013224      2.250680      8.210505
  H      -1.518450      6.086052      5.705579
  H      -0.509666      4.760613      5.070223
  H      -2.218191      4.747537      7.623938
  H      -0.444980      4.595566      7.628268
  H      -4.730229      2.037239      7.801188
  H      -4.316112      3.673377      7.269547
  H      -2.485916      1.285281      7.863002
  H      -2.537184      2.831988      8.757485
  C      -3.943784     -6.559105      3.546746
  C      -3.075523     -5.349885      3.755350
  O      -1.987689     -5.411418      4.315870
  C      -3.586497     -4.017087      3.275388
  C      -4.667638     -3.877736      2.389257
  C      -5.091332     -2.617233      1.980014
  C      -4.456891     -1.490417      2.483957
  F      -4.917581     -0.291590      2.089946
  C      -3.378112     -1.579080      3.396903
  C      -2.762142     -0.410411      4.016217
  O      -3.145003      0.752592      3.715787
  C      -1.671739     -0.548519      5.034804
  C      -2.957846     -2.872827      3.756655
  C      -6.163763     11.824585      2.578269
  C      -5.285149     10.599574      2.495115
  O      -4.365207     10.527602      1.688464
  C      -5.563001      9.456868      3.429051
  C      -6.569094      9.506033      4.408679
  C      -6.787080      8.421868      5.254181
  C      -5.984359      7.296460      5.120435
  F      -6.241961      6.243286      5.939760
  C      -4.966083      7.198745      4.159403
  C      -4.066154      6.016163      3.964384
  O      -3.543139      5.810483      2.882308
  C      -3.809047      5.086611      5.171059
  C      -4.786804      8.300411      3.312991
  C      -8.403808     -5.299798      4.161417
  C      -7.337458     -4.399100      4.733666
  O      -6.317968     -4.863573      5.237532
  C      -7.534014     -2.916411      4.651845
  C      -8.630086     -2.336335      3.988227
  C      -8.738660     -0.954258      3.881770
  C      -7.747056     -0.154605      4.438134
  F      -7.889252      1.183531      4.301107
  C      -6.641524     -0.682547      5.126659
  C      -5.499634      0.105337      5.699611
  O      -4.637219     -0.465414      6.357192
  C      -5.369615      1.600491      5.373874
  C      -6.570507     -2.079957      5.219619
  H      -3.463896     -7.433854      3.996992
  H      -4.932357     -6.390416      4.002513
  H      -4.101332     -6.745069      2.472678
  H      -5.183742     -4.759214      2.008799
  H      -5.920753     -2.486994      1.285176
  H      -0.780571     -0.965376      4.507637
  H      -1.962248     -1.320741      5.774740
  H      -2.123647     -3.017498      4.443378
  H      -6.096819     12.285695      3.575683
  H      -7.220162     11.561538      2.416849
  H      -5.845323     12.547962      1.820983
  H      -7.193009     10.392979      4.516825
  H      -7.572587      8.432118      6.009790
  H      -3.885816      5.676293      6.103132
  H      -4.658250      4.383166      5.171019
  H      -4.012465      8.254939      2.546172
  H      -9.371188     -5.123742      4.655903
  H      -8.108199     -6.344773      4.298742
  H      -8.553095     -5.097386      3.089683
  H      -9.403625     -2.961481      3.542556
  H      -9.577192     -0.482050      3.370128
  H      -6.236262      2.123921      5.822937
  H      -5.506088      1.710604      4.286194
  H      -5.716245     -2.522139      5.733580
  N      -1.186437      2.557409      3.497368
  H      -0.862310      2.409136      2.538315
88
Coordinates from ORCA-job orca E -6506.702170416345
  N      -1.448389      0.703441      5.685409
  Mo     -2.282954      2.342368      4.858953
  N      -4.123146      2.175920      5.737844
  C      -4.038894      2.637641      7.123706
  C      -2.657840      2.393387      7.741221
  N      -1.524921      2.900593      6.874901
  C      -0.265220      2.158623      7.156726
  C      -0.458928      0.705526      6.730890
  C      -1.329693      4.388227      7.020659
  C      -1.400385      4.977549      5.617356
  N      -2.574552      4.359425      5.017143
  H       0.509442      0.294963      6.385313
  H      -0.776523      0.076851      7.587773
  H       0.522748      2.640465      6.562892
  H      -0.007780      2.247853      8.223847
  H      -1.485144      6.075805      5.652614
  H      -0.500641      4.728060      5.031264
  H      -2.172307      4.774707      7.611218
  H      -0.402186      4.593367      7.574567
  H      -4.752969      2.080304      7.753700
  H      -4.321754      3.705338      7.208532
  H      -2.518123      1.314636      7.859543
  H      -2.581041      2.874190      8.728707
  C      -3.947908     -6.569724      3.526567
  C      -3.087781     -5.359091      3.761801
  O      -2.023958     -5.417430      4.367029
  C      -3.585254     -4.027220      3.265494
  C      -4.645605     -3.888380      2.354553
  C      -5.059456     -2.627265      1.935234
  C      -4.436445     -1.500490      2.453236
  F      -4.887575     -0.302022      2.047550
  C      -3.377881     -1.589264      3.389619
  C      -2.769893     -0.420798      4.016539
  O      -3.158625      0.741093      3.723832
  C      -1.682640     -0.557574      5.039326
  C      -2.966711     -2.882721      3.759169
  C      -6.166282     11.862751      2.643674
  C      -5.266095     10.653107      2.562842
  O      -4.318221     10.613569      1.786778
  C      -5.557602      9.485061      3.460650
  C      -6.595345      9.496933      4.408003
  C      -6.822151      8.390431      5.221840
  C      -5.997722      7.280480      5.089278
  F      -6.261016      6.208180      5.881331
  C      -4.950084      7.218327      4.157299
  C      -4.027799      6.052622      3.961466
  O      -3.471860      5.879042      2.890743
  C      -3.791399      5.103767      5.156849
  C      -4.761314      8.342419      3.343209
  C      -8.396566     -5.318287      4.248799
  C      -7.321679     -4.407383      4.788828
  O      -6.297301     -4.863038      5.290783
  C      -7.518699     -2.926541      4.679257
  C      -8.611894     -2.360297      3.998344
  C      -8.722862     -0.980465      3.867877
  C      -7.737431     -0.168973      4.418313
  F      -7.882366      1.166364      4.263210
  C      -6.635134     -0.682240      5.122245
  C      -5.506648      0.122139      5.696173
  O      -4.670970     -0.420969      6.409369
  C      -5.370123      1.608144      5.326568
  C      -6.560550     -2.077983      5.238354
  H      -3.481760     -7.444298      3.991229
  H      -4.948225     -6.399468      3.955450
  H      -4.073704     -6.755243      2.448440
  H      -5.155312     -4.769462      1.964932
  H      -5.873616     -2.496839      1.222675
  H      -0.784356     -0.964156      4.517424
  H      -1.970280     -1.333303      5.776573
  H      -2.149017     -3.028227      4.465386
  H      -6.140018     12.301288      3.653058
  H      -7.211900     11.586925      2.439245
  H      -5.833601     12.608286      1.914511
  H      -7.236354     10.371597      4.515975
  H      -7.630388      8.372093      5.952929
  H      -3.853338      5.689224      6.093384
  H      -4.655698      4.419890      5.152432
  H      -3.963090      8.325549      2.599973
  H      -9.358291     -5.126810      4.748458
  H      -8.102758     -6.360592      4.408608
  H      -8.554564     -5.141701      3.173755
  H      -9.381740     -2.994339      3.558944
  H      -9.559966     -0.518872      3.344310
  H      -6.239186      2.148869      5.749232
  H      -5.487526      1.685139      4.234409
  H      -5.709937     -2.508613      5.768004
  N      -1.204673      2.516133      3.468050
  H      -0.943023      2.323898      2.497541
88
Coordinates from ORCA-job orca E -6506.703249872838
  N      -1.491690      0.693539      5.698317
  Mo     -2.307707      2.330651      4.860983
  N      -4.139566      2.199673      5.731246
  C      -4.049865      2.676528      7.113645
  C      -2.672060      2.428541      7.737796
  N      -1.528786      2.906485      6.868429
  C      -0.284763      2.141041      7.159253
  C      -0.511986      0.687306      6.755776
  C      -1.302782      4.391495      6.986188
  C      -1.392482      4.958771      5.573597
  N      -2.583910      4.348076      4.998165
  H       0.447176      0.245225      6.424746
  H      -0.855988      0.078747      7.617178
  H       0.510150      2.592070      6.550040
  H      -0.016928      2.243182      8.222583
  H      -1.456614      6.058906      5.587268
  H      -0.503849      4.684156      4.980983
  H      -2.116634      4.805170      7.598216
  H      -0.351879      4.587446      7.502502
  H      -4.769239      2.133421      7.749618
  H      -4.322192      3.746862      7.186135
  H      -2.542960      1.351309      7.878848
  H      -2.601023      2.926926      8.717130
  C      -3.955606     -6.594607      3.478863
  C      -3.120551     -5.376476      3.764192
  O      -2.070383     -5.432685      4.393009
  C      -3.617497     -4.043489      3.269381
  C      -4.670614     -3.903707      2.350360
  C      -5.085207     -2.641756      1.932976
  C      -4.468001     -1.515521      2.458946
  F      -4.916096     -0.316510      2.052608
  C      -3.415916     -1.605563      3.402338
  C      -2.808363     -0.437769      4.030182
  O      -3.204747      0.723336      3.748455
  C      -1.712540     -0.569800      5.046392
  C      -3.005405     -2.899148      3.772008
  C      -6.144322     11.907229      2.690266
  C      -5.226752     10.709799      2.618568
  O      -4.248483     10.698287      1.880180
  C      -5.538815      9.518269      3.478660
  C      -6.611981      9.496991      4.385642
  C      -6.854239      8.370620      5.167387
  C      -6.010548      7.273857      5.043327
  F      -6.286253      6.184797      5.807733
  C      -4.929878      7.243200      4.148406
  C      -3.985969      6.091732      3.958782
  O      -3.385098      5.954849      2.907619
  C      -3.784247      5.118493      5.140790
  C      -4.724955      8.387456      3.367116
  C      -8.294073     -5.347383      4.273496
  C      -7.234676     -4.411979      4.803058
  O      -6.199279     -4.843618      5.303714
  C      -7.463739     -2.935311      4.690209
  C      -8.562089     -2.393658      3.997355
  C      -8.704438     -1.016447      3.867082
  C      -7.744885     -0.182488      4.430230
  F      -7.919495      1.149121      4.277657
  C      -6.639053     -0.671459      5.146611
  C      -5.539144      0.157081      5.739997
  O      -4.713797     -0.366402      6.479084
  C      -5.392283      1.632657      5.330398
  C      -6.532592     -2.065272      5.261307
  H      -3.486714     -7.473248      3.933404
  H      -4.966852     -6.448515      3.891878
  H      -4.055577     -6.755527      2.394014
  H      -5.175954     -4.784513      1.953573
  H      -5.894626     -2.510786      1.214734
  H      -0.810750     -0.961153      4.519991
  H      -1.986247     -1.348724      5.785297
  H      -2.192873     -3.045784      4.484264
  H      -6.162264     12.323497      3.709463
  H      -7.177566     11.623577      2.437893
  H      -5.792122     12.672607      1.991094
  H      -7.268338     10.361334      4.487550
  H      -7.688394      8.327160      5.868096
  H      -3.835646      5.696479      6.083648
  H      -4.665469      4.457447      5.125258
  H      -3.899374      8.395726      2.653751
  H      -9.258258     -5.168732      4.773691
  H      -7.980529     -6.382716      4.442450
  H      -8.456092     -5.184159      3.196679
  H      -9.312291     -3.044853      3.548420
  H      -9.546820     -0.573995      3.334923
  H      -6.254415      2.191669      5.742071
  H      -5.503805      1.685131      4.236574
  H      -5.678915     -2.476309      5.802117
  N      -1.262120      2.463831      3.442357
  H      -1.062769      2.230786      2.465525
88
Coordinates from ORCA-job orca E -6506.704152429305
  N      -1.500707      0.687779      5.694041
  Mo     -2.319296      2.319008      4.856458
  N      -4.137629      2.208529      5.721440
  C      -4.049727      2.695339      7.101694
  C      -2.672969      2.451258      7.731651
  N      -1.524053      2.908768      6.859956
  C      -0.289539      2.130144      7.155785
  C      -0.534469      0.676643      6.765459
  C      -1.278646      4.391011      6.955187
  C      -1.384873      4.942523      5.536944
  N      -2.585198      4.334061      4.979723
  H       0.420722      0.215988      6.449668
  H      -0.900074      0.079816      7.625934
  H       0.508343      2.562836      6.537060
  H      -0.014735      2.240138      8.216495
  H      -1.437623      6.043232      5.533864
  H      -0.503148      4.652909      4.940549
  H      -2.068178      4.823186      7.585475
  H      -0.309434      4.579722      7.439054
  H      -4.772315      2.158584      7.738491
  H      -4.319035      3.766397      7.162426
  H      -2.548292      1.376446      7.892267
  H      -2.607480      2.965029      8.703488
  C      -3.903784     -6.620993      3.498843
  C      -3.080859     -5.393925      3.781101
  O      -2.040921     -5.436065      4.426966
  C      -3.584842     -4.067253      3.275282
  C      -4.637243     -3.938699      2.354181
  C      -5.061643     -2.681724      1.930905
  C      -4.454029     -1.548359      2.452656
  F      -4.910590     -0.353850      2.043093
  C      -3.402430     -1.627474      3.397371
  C      -2.803585     -0.455117      4.023170
  O      -3.216312      0.702969      3.754057
  C      -1.698008     -0.575805      5.031644
  C      -2.982063     -2.916135      3.773178
  C      -6.160459     11.929330      2.751868
  C      -5.216895     10.751838      2.689854
  O      -4.207642     10.777891      1.995190
  C      -5.541541      9.532698      3.505667
  C      -6.651474      9.467640      4.364847
  C      -6.902697      8.318188      5.109009
  C      -6.031722      7.241686      4.995330
  F      -6.314762      6.131596      5.726293
  C      -4.915371      7.253727      4.145169
  C      -3.939651      6.125545      3.963359
  O      -3.281812      6.041278      2.941052
  C      -3.776698      5.117444      5.121201
  C      -4.701012      8.421166      3.401993
  C      -8.346754     -5.317687      4.293873
  C      -7.270773     -4.392388      4.807162
  O      -6.232013     -4.832571      5.291877
  C      -7.484822     -2.913679      4.690403
  C      -8.577456     -2.363926      3.995362
  C      -8.709656     -0.986051      3.863357
  C      -7.745518     -0.159532      4.429329
  F      -7.906844      1.173762      4.277368
  C      -6.645606     -0.657060      5.148419
  C      -5.547977      0.169192      5.748186
  O      -4.744407     -0.346115      6.516314
  C      -5.392719      1.639811      5.324536
  C      -6.548022     -2.051175      5.263527
  H      -3.427531     -7.492961      3.958306
  H      -4.914732     -6.482344      3.913664
  H      -4.002830     -6.787377      2.415099
  H      -5.135806     -4.824522      1.960187
  H      -5.871478     -2.560643      1.211595
  H      -0.789999     -0.940641      4.498124
  H      -1.950311     -1.363049      5.768669
  H      -2.172132     -3.053334      4.490008
  H      -6.229814     12.318276      3.779419
  H      -7.175722     11.632890      2.447331
  H      -5.793598     12.719020      2.088240
  H      -7.329480     10.315858      4.458878
  H      -7.763657      8.241451      5.773247
  H      -3.834301      5.677000      6.075789
  H      -4.666938      4.470553      5.079588
  H      -3.846684      8.462912      2.724708
  H      -9.303738     -5.122963      4.801315
  H      -8.044688     -6.355617      4.467614
  H      -8.515434     -5.160629      3.217259
  H      -9.331531     -3.009518      3.545098
  H      -9.547368     -0.537801      3.328973
  H      -6.249994      2.207795      5.733712
  H      -5.500620      1.684862      4.230638
  H      -5.699604     -2.467969      5.807865
  N      -1.299007      2.426871      3.414209
  H      -1.146399      2.164841      2.436107
88
Coordinates from ORCA-job orca E -6506.704898037166
  N      -1.527989      0.681431      5.694496
  Mo     -2.344918      2.313026      4.858047
  N      -4.153531      2.226262      5.718310
  C      -4.067149      2.723494      7.096126
  C      -2.692261      2.479370      7.732218
  N      -1.534118      2.909420      6.859309
  C      -0.313560      2.112138      7.162630
  C      -0.581602      0.660562      6.783981
  C      -1.261797      4.387924      6.934127
  C      -1.372360      4.926770      5.511815
  N      -2.582093      4.329283      4.967054
  H       0.369331      0.177793      6.489546
  H      -0.974888      0.078586      7.642238
  H       0.491374      2.525892      6.539962
  H      -0.036511      2.226868      8.222433
  H      -1.409125      6.028032      5.494702
  H      -0.496511      4.619624      4.914941
  H      -2.029777      4.841641      7.575651
  H      -0.278950      4.561368      7.396025
  H      -4.794097      2.193049      7.732530
  H      -4.332305      3.795930      7.143715
  H      -2.577909      1.406329      7.912957
  H      -2.625993      3.008541      8.695829
  C      -3.903058     -6.632880      3.455706
  C      -3.097857     -5.401832      3.769491
  O      -2.071742     -5.442027      4.436983
  C      -3.600319     -4.074309      3.263597
  C      -4.647911     -3.945124      2.337425
  C      -5.075072     -2.688709      1.916053
  C      -4.473119     -1.555130      2.443589
  F      -4.927333     -0.360308      2.033763
  C      -3.425231     -1.634694      3.392484
  C      -2.829400     -0.462913      4.021318
  O      -3.250046      0.694083      3.761055
  C      -1.713659     -0.579135      5.020662
  C      -3.002823     -2.923145      3.767816
  C      -6.150818     11.967636      2.793484
  C      -5.181160     10.810694      2.751613
  O      -4.137808     10.874306      2.112065
  C      -5.521645      9.564891      3.519877
  C      -6.672184      9.457179      4.319075
  C      -6.936848      8.286100      5.023543
  C      -6.038768      7.229877      4.929977
  F      -6.334655      6.099661      5.624491
  C      -4.881793      7.283812      4.137779
  C      -3.872337      6.179778      3.975113
  O      -3.144912      6.154548      2.997616
  C      -3.763080      5.128738      5.099007
  C      -4.653735      8.473117      3.434337
  C      -8.293162     -5.344536      4.349534
  C      -7.217671     -4.404009      4.835006
  O      -6.169177     -4.828552      5.312577
  C      -7.450561     -2.927828      4.713511
  C      -8.552612     -2.394322      4.021489
  C      -8.704901     -1.018621      3.886081
  C      -7.750032     -0.177917      4.446837
  F      -7.931411      1.153234      4.296404
  C      -6.641072     -0.659772      5.163077
  C      -5.555435      0.182957      5.763905
  O      -4.756097     -0.317240      6.545818
  C      -5.407796      1.649161      5.325394
  C      -6.523613     -2.051762      5.282308
  H      -3.423531     -7.506485      3.908870
  H      -4.921012     -6.512788      3.859794
  H      -3.987267     -6.783635      2.368483
  H      -5.141789     -4.831122      1.937455
  H      -5.881530     -2.568554      1.192607
  H      -0.804529     -0.924718      4.476643
  H      -1.948580     -1.374515      5.754131
  H      -2.196641     -3.060030      4.488940
  H      -6.282017     12.327602      3.825662
  H      -7.142764     11.660522      2.428323
  H      -5.765733     12.781553      2.170557
  H      -7.371609     10.289680      4.397337
  H      -7.827954      8.177029      5.642079
  H      -3.840433      5.663043      6.067940
  H      -4.661548      4.498150      5.016206
  H      -3.766871      8.547784      2.803246
  H      -9.246318     -5.147669      4.863470
  H      -7.981889     -6.377463      4.536963
  H      -8.474197     -5.206979      3.272130
  H      -9.299427     -3.051476      3.575464
  H      -9.551112     -0.583526      3.354064
  H      -6.264558      2.218402      5.734011
  H      -5.516841      1.687458      4.231676
  H      -5.668356     -2.455723      5.825789
  N      -1.348115      2.389388      3.398740
  H      -1.240150      2.098215      2.422653
88
Coordinates from ORCA-job orca E -6506.705519569919
  N      -1.537274      0.673809      5.689959
  Mo     -2.361026      2.307739      4.861181
  N      -4.163601      2.240101      5.720790
  C      -4.075272      2.745146      7.095653
  C      -2.701746      2.497761      7.735159
  N      -1.536528      2.904151      6.861733
  C      -0.328022      2.091983      7.170524
  C      -0.613686      0.643347      6.797827
  C      -1.240891      4.378849      6.925370
  C      -1.350286      4.911955      5.501282
  N      -2.566750      4.326758      4.962726
  H       0.334893      0.143224      6.526330
  H      -1.033280      0.074589      7.652220
  H       0.483532      2.493754      6.548758
  H      -0.052097      2.207242      8.230753
  H      -1.374442      6.013317      5.477699
  H      -0.478704      4.593584      4.904172
  H      -1.994233      4.848404      7.572720
  H      -0.250794      4.536433      7.377378
  H      -4.805184      2.219594      7.732220
  H      -4.335856      3.818716      7.132708
  H      -2.599231      1.425759      7.931006
  H      -2.629850      3.037918      8.692103
  C      -3.893098     -6.641197      3.424541
  C      -3.098847     -5.407688      3.754503
  O      -2.080930     -5.446627      4.434358
  C      -3.601228     -4.080171      3.248833
  C      -4.647985     -3.951206      2.321985
  C      -5.079302     -2.695521      1.903821
  C      -4.481087     -1.561549      2.434400
  F      -4.936206     -0.366700      2.026105
  C      -3.433659     -1.640536      3.383954
  C      -2.842642     -0.468051      4.016019
  O      -3.276042      0.686535      3.766221
  C      -1.714288     -0.580214      5.002109
  C      -3.007353     -2.928691      3.756561
  C      -6.172483     11.977975      2.808946
  C      -5.172269     10.846958      2.794826
  O      -4.103041     10.947140      2.204681
  C      -5.515288      9.580607      3.527273
  C      -6.697986      9.431718      4.270822
  C      -6.964540      8.243936      4.945439
  C      -6.036873      7.211569      4.877192
  F      -6.335323      6.065783      5.545035
  C      -4.846543      7.306343      4.140024
  C      -3.800896      6.231386      4.003042
  O      -3.005911      6.266272      3.079241
  C      -3.739787      5.137641      5.085652
  C      -4.616380      8.512665      3.466541
  C      -8.279808     -5.346412      4.386402
  C      -7.205126     -4.401357      4.863825
  O      -6.147651     -4.820936      5.325410
  C      -7.442321     -2.926233      4.736644
  C      -8.548221     -2.399061      4.046835
  C      -8.707759     -1.024352      3.908834
  C      -7.755241     -0.178519      4.465322
  F      -7.944191      1.152047      4.314305
  C      -6.641693     -0.654348      5.178294
  C      -5.560545      0.195414      5.779503
  O      -4.757912     -0.299705      6.560962
  C      -5.418232      1.658514      5.334028
  C      -6.516611     -2.045199      5.300382
  H      -3.407998     -7.515421      3.870393
  H      -4.913344     -6.535509      3.826412
  H      -3.974536     -6.781393      2.335901
  H      -5.138593     -4.837452      1.918894
  H      -5.885256     -2.576509      1.179794
  H      -0.807293     -0.905397      4.442093
  H      -1.928464     -1.387842      5.727916
  H      -2.202717     -3.064939      4.479171
  H      -6.361632     12.316597      3.839273
  H      -7.138388     11.653207      2.393003
  H      -5.779853     12.811795      2.218075
  H      -7.420771     10.245570      4.329152
  H      -7.878893      8.103632      5.522067
  H      -3.843483      5.644140      6.068485
  H      -4.640970      4.519402      4.959098
  H      -3.703290      8.619411      2.879386
  H      -9.232561     -5.148492      4.900234
  H      -7.965970     -6.377626      4.578397
  H      -8.463591     -5.215519      3.308615
  H      -9.293167     -3.060842      3.604778
  H      -9.557810     -0.594684      3.378865
  H      -6.272614      2.227651      5.747675
  H      -5.535864      1.696201      4.241385
  H      -5.658701     -2.444454      5.842840
  N      -1.385028      2.365752      3.384836
  H      -1.315955      2.052840      2.411855
88
Coordinates from ORCA-job orca E -6506.705994185507
  N      -1.536041      0.667822      5.682176
  Mo     -2.370494      2.306556      4.867231
  N      -4.171403      2.252664      5.728416
  C      -4.077296      2.759207      7.102169
  C      -2.704756      2.505107      7.741516
  N      -1.534067      2.895105      6.868953
  C      -0.336185      2.069664      7.181216
  C      -0.637467      0.625518      6.808582
  C      -1.217875      4.366227      6.931537
  C      -1.320363      4.900385      5.507494
  N      -2.542021      4.329907      4.968399
  H       0.308808      0.109418      6.560647
  H      -1.083903      0.069095      7.657482
  H       0.482173      2.463792      6.563568
  H      -0.063219      2.180846      8.242864
  H      -1.333345      6.001633      5.484604
  H      -0.451413      4.575244      4.910357
  H      -1.963448      4.846773      7.579940
  H      -0.225954      4.507925      7.384729
  H      -4.808139      2.235629      7.739248
  H      -4.333295      3.833491      7.135773
  H      -2.614174      1.432863      7.944347
  H      -2.625357      3.049162      8.695478
  C      -3.881395     -6.645740      3.395056
  C      -3.098735     -5.408610      3.738377
  O      -2.084671     -5.446028      4.424267
  C      -3.606641     -4.081225      3.238661
  C      -4.659224     -3.952710      2.318461
  C      -5.096208     -2.697207      1.906129
  C      -4.496806     -1.563067      2.434969
  F      -4.955045     -0.368619      2.028785
  C      -3.443890     -1.641188      3.378915
  C      -2.854157     -0.467089      4.011009
  O      -3.302459      0.684585      3.774113
  C      -1.709632     -0.576868      4.978325
  C      -3.013090     -2.929375      3.746352
  C      -6.211168     11.968286      2.788483
  C      -5.183673     10.862180      2.802839
  O      -4.099379     10.990905      2.246489
  C      -5.517034      9.586355      3.522779
  C      -6.719397      9.405703      4.226753
  C      -6.977120      8.210059      4.890349
  C      -6.022234      7.201246      4.850091
  F      -6.314432      6.048672      5.509211
  C      -4.810371      7.327637      4.153315
  C      -3.732041      6.281594      4.044833
  O      -2.878685      6.371628      3.177457
  C      -3.708911      5.149810      5.084822
  C      -4.589037      8.542392      3.491278
  C      -8.272450     -5.342992      4.401893
  C      -7.191683     -4.395319      4.859575
  O      -6.134949     -4.812153      5.325266
  C      -7.436205     -2.920762      4.741104
  C      -8.548015     -2.394691      4.060398
  C      -8.713789     -1.019815      3.930137
  C      -7.761760     -0.173264      4.485997
  F      -7.957881      1.157640      4.343206
  C      -6.642224     -0.648150      5.189665
  C      -5.559072      0.202634      5.787277
  O      -4.756227     -0.290283      6.569753
  C      -5.426294      1.667557      5.348294
  C      -6.511006     -2.038879      5.304966
  H      -3.386445     -7.520250      3.829340
  H      -4.902292     -6.557701      3.799118
  H      -3.965391     -6.773905      2.305147
  H      -5.149450     -4.839222      1.915636
  H      -5.906146     -2.578683      1.186510
  H      -0.809133     -0.882085      4.396499
  H      -1.900008     -1.399387      5.693478
  H      -2.204908     -3.065578      4.464896
  H      -6.440737     12.299212      3.813164
  H      -7.156154     11.621990      2.342869
  H      -5.821256     12.813241      2.211897
  H      -7.464147     10.200817      4.262628
  H      -7.905210      8.045547      5.437849
  H      -3.837915      5.630244      6.079300
  H      -4.610071      4.541731      4.919781
  H      -3.659287      8.674023      2.936373
  H      -9.223201     -5.134071      4.915069
  H      -7.961770     -6.372577      4.607093
  H      -8.459859     -5.227162      3.322965
  H      -9.292241     -3.057628      3.618962
  H      -9.568429     -0.591187      3.406831
  H      -6.279240      2.231213      5.772554
  H      -5.556947      1.712747      4.257493
  H      -5.648334     -2.437923      5.839837
  N      -1.415062      2.351208      3.374417
  H      -1.382505      2.018989      2.405657
88
Coordinates from ORCA-job orca E -6506.706316274569
  N      -1.538106      0.661768      5.677126
  Mo     -2.379021      2.307865      4.880467
  N      -4.180336      2.268673      5.743110
  C      -4.078182      2.774519      7.116598
  C      -2.708793      2.505276      7.755642
  N      -1.532077      2.881362      6.885850
  C      -0.346089      2.040012      7.200580
  C      -0.665745      0.602479      6.822262
  C      -1.194818      4.347894      6.954613
  C      -1.285586      4.887166      5.531550
  N      -2.512869      4.335780      4.987031
  H       0.275646      0.068097      6.596498
  H      -1.141167      0.057577      7.663060
  H       0.480138      2.425875      6.588117
  H      -0.076067      2.142821      8.263931
  H      -1.284794      5.988147      5.513030
  H      -0.418913      4.554688      4.935088
  H      -1.936310      4.837778      7.600865
  H      -0.203951      4.473043      7.414737
  H      -4.812163      2.256206      7.754535
  H      -4.324138      3.850716      7.150720
  H      -2.633384      1.431691      7.958826
  H      -2.622781      3.047428      8.710041
  C      -3.878017     -6.642245      3.337863
  C      -3.108067     -5.403303      3.703346
  O      -2.100733     -5.442683      4.399361
  C      -3.619472     -4.073932      3.213594
  C      -4.673720     -3.941717      2.295766
  C      -5.113638     -2.683918      1.893239
  C      -4.515264     -1.552397      2.428867
  F      -4.974319     -0.356672      2.026872
  C      -3.460948     -1.634157      3.371300
  C      -2.872671     -0.460958      4.008706
  O      -3.335349      0.688431      3.789788
  C      -1.710635     -0.571666      4.954566
  C      -3.027925     -2.924204      3.728827
  C      -6.258826     11.935466      2.716888
  C      -5.206579     10.853807      2.764927
  O      -4.118592     10.997601      2.219324
  C      -5.521100      9.582684      3.501232
  C      -6.731145      9.384035      4.187227
  C      -6.971019      8.192536      4.864555
  C      -5.992677      7.205539      4.855010
  F      -6.271374      6.057903      5.528366
  C      -4.771162      7.349943      4.178037
  C      -3.665926      6.329786      4.099782
  O      -2.769698      6.461888      3.281374
  C      -3.672361      5.166929      5.101883
  C      -4.567828      8.561439      3.503296
  C      -8.244550     -5.341214      4.405155
  C      -7.174256     -4.388763      4.877552
  O      -6.105128     -4.801156      5.318459
  C      -7.427417     -2.915457      4.763227
  C      -8.546196     -2.393748      4.090369
  C      -8.720898     -1.019224      3.966837
  C      -7.770507     -0.169054      4.519985
  F      -7.977748      1.161208      4.385900
  C      -6.643155     -0.639400      5.213777
  C      -5.560649      0.214736      5.807588
  O      -4.748340     -0.277817      6.580433
  C      -5.436366      1.681246      5.371515
  C      -6.503199     -2.029847      5.323171
  H      -3.376025     -7.518997      3.759391
  H      -4.901350     -6.571913      3.739404
  H      -3.958836     -6.753886      2.245818
  H      -5.162538     -4.826511      1.887470
  H      -5.924390     -2.561765      1.175070
  H      -0.818687     -0.855571      4.348752
  H      -1.875748     -1.410477      5.656457
  H      -2.218633     -3.064413      4.445450
  H      -6.509806     12.279779      3.732215
  H      -7.189923     11.559518      2.265941
  H      -5.880959     12.778718      2.129825
  H      -7.495414     10.161219      4.198058
  H      -7.903672      8.014266      5.400019
  H      -3.816637      5.625459      6.105782
  H      -4.575840      4.571049      4.909453
  H      -3.630841      8.707182      2.964139
  H      -9.200275     -5.145691      4.914201
  H      -7.925948     -6.370193      4.601150
  H      -8.426966     -5.216247      3.326088
  H      -9.289048     -3.059840      3.651180
  H      -9.581838     -0.593848      3.451109
  H      -6.286877      2.240636      5.806217
  H      -5.580181      1.731738      4.282617
  H      -5.634972     -2.426185      5.851141
  N      -1.444010      2.340161      3.372907
  H      -1.445994      1.989789      2.409641
88
Coordinates from ORCA-job orca E -6506.706536182782
  N      -1.535587      0.659154      5.665314
  Mo     -2.386360      2.311227      4.895387
  N      -4.186096      2.282281      5.760863
  C      -4.077144      2.782685      7.135766
  C      -2.712138      2.492423      7.773928
  N      -1.531663      2.863514      6.908499
  C      -0.354117      2.009031      7.220085
  C      -0.687058      0.579249      6.827013
  C      -1.181341      4.325642      6.991244
  C      -1.258876      4.874777      5.570989
  N      -2.489100      4.341650      5.015549
  H       0.249422      0.030820      6.616778
  H      -1.187864      0.038354      7.655598
  H       0.477429      2.391689      6.612716
  H      -0.085423      2.098342      8.284901
  H      -1.245971      5.975421      5.559902
  H      -0.392732      4.537574      4.976369
  H      -1.923522      4.818618      7.634310
  H      -0.193529      4.438499      7.460700
  H      -4.816469      2.270665      7.772652
  H      -4.309866      3.861290      7.174995
  H      -2.650567      1.416331      7.968007
  H      -2.622595      3.025189      8.733274
  C      -3.873679     -6.632249      3.285097
  C      -3.110744     -5.392641      3.663907
  O      -2.107411     -5.434350      4.365678
  C      -3.622790     -4.061791      3.179663
  C      -4.678436     -3.926136      2.263917
  C      -5.119870     -2.665935      1.869617
  C      -4.522031     -1.536986      2.411248
  F      -4.982570     -0.339883      2.014364
  C      -3.466798     -1.622435      3.352321
  C      -2.881956     -0.450871      3.997112
  O      -3.363480      0.695225      3.804647
  C      -1.700541     -0.560952      4.918787
  C      -3.031974     -2.914126      3.700434
  C      -6.305821     11.886141      2.622601
  C      -5.235518     10.824043      2.701182
  O      -4.149023     10.971931      2.153735
  C      -5.529532      9.568610      3.471907
  C      -6.739582      9.365218      4.156799
  C      -6.959177      8.187393      4.863979
  C      -5.963156      7.218266      4.884189
  F      -6.226675      6.085033      5.587181
  C      -4.739754      7.367810      4.210795
  C      -3.614820      6.368098      4.160352
  O      -2.684581      6.534568      3.386684
  C      -3.642684      5.181888      5.132482
  C      -4.556863      8.566930      3.507796
  C      -8.238146     -5.332869      4.420033
  C      -7.165320     -4.379590      4.885451
  O      -6.098797     -4.791488      5.332873
  C      -7.422537     -2.906722      4.777671
  C      -8.545019     -2.384972      4.110472
  C      -8.723315     -1.010307      3.994458
  C      -7.773732     -0.160209      4.549186
  F      -7.985829      1.170100      4.424460
  C      -6.642334     -0.630364      5.236074
  C      -5.561497      0.224333      5.829903
  O      -4.740318     -0.269651      6.592523
  C      -5.443521      1.692969      5.397415
  C      -6.498483     -2.021141      5.337718
  H      -3.366746     -7.510736      3.696810
  H      -4.896906     -6.572381      3.688184
  H      -3.955124     -6.732646      2.192052
  H      -5.167423     -4.809067      1.852053
  H      -5.931633     -2.540022      1.153313
  H      -0.816805     -0.813528      4.287550
  H      -1.833692     -1.418639      5.603709
  H      -2.223272     -3.058404      4.416906
  H      -6.564178     12.253841      3.627781
  H      -7.229368     11.481948      2.180778
  H      -5.941434     12.719398      2.013208
  H      -7.518957     10.127129      4.143558
  H      -7.890364      8.005664      5.400793
  H      -3.793817      5.622013      6.144188
  H      -4.549424      4.597377      4.922134
  H      -3.618695      8.716695      2.971707
  H      -9.195578     -5.128396      4.922076
  H      -7.924417     -6.361002      4.627875
  H      -8.414213     -5.218442      3.338704
  H      -9.287584     -3.050909      3.670716
  H      -9.587289     -0.584624      3.484126
  H      -6.290869      2.248468      5.842717
  H      -5.598177      1.748590      4.310340
  H      -5.627727     -2.417991      5.861096
  N      -1.470274      2.341960      3.374075
  H      -1.498918      1.978876      2.415739
88
Coordinates from ORCA-job orca E -6506.706749110146
  N      -1.541355      0.661442      5.655901
  Mo     -2.401487      2.321313      4.924570
  N      -4.196142      2.298143      5.800517
  C      -4.075981      2.782844      7.180437
  C      -2.714570      2.464176      7.810289
  N      -1.534512      2.840505      6.947746
  C      -0.362810      1.972781      7.245094
  C      -0.708924      0.553451      6.827957
  C      -1.175210      4.297914      7.052150
  C      -1.236874      4.862895      5.637313
  N      -2.470448      4.353015      5.066933
  H       0.221061     -0.006558      6.621434
  H      -1.229212      0.009012      7.641900
  H       0.470533      2.356869      6.640863
  H      -0.090596      2.041311      8.310372
  H      -1.208564      5.963115      5.636945
  H      -0.371638      4.519672      5.044576
  H      -1.921232      4.789776      7.691557
  H      -0.191755      4.399316      7.533121
  H      -4.820812      2.276284      7.815350
  H      -4.291739      3.864103      7.233842
  H      -2.665599      1.383667      7.981229
  H      -2.619534      2.976333      8.780431
  C      -3.883958     -6.608258      3.194372
  C      -3.133647     -5.369324      3.601692
  O      -2.132361     -5.417116      4.306014
  C      -3.652890     -4.033563      3.139138
  C      -4.715937     -3.888403      2.233377
  C      -5.160872     -2.623302      1.857985
  C      -4.558592     -1.500562      2.407543
  F      -5.020947     -0.299406      2.024984
  C      -3.496003     -1.595900      3.339230
  C      -2.907605     -0.429918      3.991647
  O      -3.405912      0.713881      3.834260
  C      -1.701197     -0.542146      4.880578
  C      -3.059199     -2.891409      3.669181
  C      -6.343773     11.812041      2.466999
  C      -5.262999     10.763162      2.577463
  O      -4.187380     10.893082      2.004725
  C      -5.533285      9.543694      3.412212
  C      -6.732744      9.359723      4.121238
  C      -6.928513      8.213959      4.885601
  C      -5.921934      7.256786      4.937708
  F      -6.166321      6.156309      5.697152
  C      -4.707153      7.388263      4.244395
  C      -3.570431      6.401265      4.225412
  O      -2.620568      6.578503      3.478079
  C      -3.615423      5.206237      5.185790
  C      -4.548391      8.556635      3.485292
  C      -8.179260     -5.338185      4.402551
  C      -7.118447     -4.378127      4.882302
  O      -6.046609     -4.782842      5.323361
  C      -7.393422     -2.907282      4.793485
  C      -8.525252     -2.389816      4.138049
  C      -8.718774     -1.015832      4.040515
  C      -7.775574     -0.162049      4.600861
  F      -8.002558      1.167156      4.494497
  C      -6.634726     -0.628020      5.275084
  C      -5.556882      0.230178      5.866156
  O      -4.734467     -0.259056      6.630684
  C      -5.454694      1.704765      5.446454
  C      -6.476615     -2.018510      5.359372
  H      -3.368394     -7.490719      3.586361
  H      -4.907449     -6.567757      3.599197
  H      -3.964263     -6.684851      2.099321
  H      -5.207438     -4.766752      1.814644
  H      -5.977765     -2.488734      1.149031
  H      -0.830216     -0.756455      4.218445
  H      -1.795655     -1.420166      5.544824
  H      -2.245656     -3.044675      4.378397
  H      -6.588430     12.225075      3.457895
  H      -7.270355     11.379292      2.059782
  H      -5.996681     12.618317      1.812773
  H      -7.521697     10.110939      4.082601
  H      -7.850040      8.047665      5.443843
  H      -3.761140      5.639511      6.201241
  H      -4.529756      4.634719      4.972151
  H      -3.616994      8.692129      2.933537
  H      -9.142423     -5.147193      4.898743
  H      -7.856842     -6.364863      4.604481
  H      -8.346927     -5.216737      3.320505
  H      -9.262765     -3.058216      3.693466
  H      -9.590043     -0.593025      3.540101
  H      -6.299819      2.250448      5.907433
  H      -5.621352      1.769362      4.361791
  H      -5.598282     -2.412450      5.872392
  N      -1.509014      2.351526      3.388244
  H      -1.560250      1.978097      2.434576
88
Coordinates from ORCA-job orca E -6506.706994764359
  N      -1.550372      0.667513      5.646770
  Mo     -2.417896      2.333972      4.958255
  N      -4.207713      2.314252      5.845376
  C      -4.078790      2.785951      7.229246
  C      -2.725552      2.429132      7.853898
  N      -1.544785      2.813385      6.997570
  C      -0.377196      1.934548      7.276678
  C      -0.729973      0.527464      6.825869
  C      -1.180671      4.265558      7.128430
  C      -1.219718      4.848537      5.720471
  N      -2.455390      4.364516      5.131314
  H       0.195424     -0.037525      6.614493
  H      -1.264622     -0.030022      7.620849
  H       0.457320      2.325975      6.678560
  H      -0.103306      1.977096      8.342640
  H      -1.173604      5.948166      5.731435
  H      -0.354340      4.497037      5.132429
  H      -1.935867      4.753711      7.759692
  H      -0.204723      4.357476      7.626490
  H      -4.836357      2.294542      7.860838
  H      -4.267642      3.871919      7.293002
  H      -2.693149      1.343779      7.993361
  H      -2.625533      2.913893      8.837777
  C      -3.905088     -6.571624      3.093597
  C      -3.156639     -5.337740      3.520795
  O      -2.160555     -5.394637      4.231469
  C      -3.678559     -3.995393      3.080292
  C      -4.744293     -3.836906      2.179944
  C      -5.190181     -2.565966      1.825091
  C      -4.586230     -1.451714      2.389627
  F      -5.047287     -0.244705      2.024300
  C      -3.520681     -1.561011      3.316223
  C      -2.930931     -0.404014      3.982560
  O      -3.444046      0.737189      3.863840
  C      -1.701542     -0.517983      4.839785
  C      -3.083260     -2.861186      3.625578
  C      -6.380498     11.712670      2.291988
  C      -5.299088     10.666212      2.420535
  O      -4.248197     10.754533      1.796586
  C      -5.538230      9.501847      3.339546
  C      -6.711901      9.363208      4.100534
  C      -6.878036      8.266533      4.940008
  C      -5.869691      7.312516      5.014768
  F      -6.087396      6.261705      5.848832
  C      -4.678592      7.401284      4.274806
  C      -3.540128      6.416582      4.279331
  O      -2.583522      6.585335      3.538745
  C      -3.590969      5.230937      5.252410
  C      -4.549565      8.521657      3.441077
  C      -8.116998     -5.344599      4.394743
  C      -7.069140     -4.377626      4.889691
  O      -5.995472     -4.774769      5.332707
  C      -7.360711     -2.909184      4.815105
  C      -8.501079     -2.398086      4.169027
  C      -8.710822     -1.025649      4.087293
  C      -7.775453     -0.166564      4.652948
  F      -8.019343      1.160632      4.564711
  C      -6.625829     -0.626228      5.317061
  C      -5.556732      0.238143      5.911889
  O      -4.723247     -0.249256      6.665772
  C      -5.467464      1.716744      5.499579
  C      -6.452071     -2.015819      5.385914
  H      -3.388718     -7.459292      3.472473
  H      -4.928113     -6.538054      3.500030
  H      -3.984119     -6.631300      1.997506
  H      -5.236960     -4.708856      1.749301
  H      -6.008594     -2.420104      1.120102
  H      -0.843025     -0.687125      4.149414
  H      -1.755506     -1.415880      5.480124
  H      -2.268756     -3.026238      4.331082
  H      -6.582586     12.185238      3.265614
  H      -7.323525     11.260276      1.948958
  H      -6.058166     12.476458      1.576916
  H      -7.503276     10.110802      4.044258
  H      -7.778163      8.135936      5.541093
  H      -3.716986      5.671343      6.266712
  H      -4.515644      4.670046      5.054198
  H      -3.636608      8.623169      2.852258
  H      -9.086791     -5.165398      4.881976
  H      -7.787082     -6.369382      4.594420
  H      -8.272843     -5.218318      3.311437
  H      -9.232953     -3.069993      3.720468
  H      -9.589411     -0.607354      3.595896
  H      -6.310056      2.254601      5.973579
  H      -5.642915      1.786137      4.416834
  H      -5.567491     -2.404933      5.891972
  N      -1.545261      2.371612      3.410733
  H      -1.604897      1.991150      2.460232
88
Coordinates from ORCA-job orca E -6506.707264481402
  N      -1.554501      0.679439      5.640607
  Mo     -2.429934      2.354256      5.005323
  N      -4.212657      2.328636      5.907315
  C      -4.072739      2.780624      7.297142
  C      -2.728063      2.381003      7.912574
  N      -1.547890      2.779756      7.064284
  C      -0.382466      1.891195      7.314207
  C      -0.739414      0.500219      6.820524
  C      -1.180374      4.225740      7.228182
  C      -1.200627      4.833554      5.830810
  N      -2.439912      4.379323      5.225836
  H       0.182603     -0.063609      6.593693
  H      -1.282284     -0.079142      7.593248
  H       0.450993      2.296795      6.723868
  H      -0.104962      1.900591      8.379920
  H      -1.135428      5.932335      5.856813
  H      -0.337276      4.475036      5.243611
  H      -1.942591      4.706159      7.856764
  H      -0.210289      4.305978      7.739997
  H      -4.844520      2.305463      7.923589
  H      -4.230276      3.870985      7.373570
  H      -2.711972      1.290851      8.011761
  H      -2.620335      2.830147      8.912650
  C      -3.935337     -6.513037      2.970213
  C      -3.187628     -5.288367      3.425106
  O      -2.182099     -5.360469      4.120421
  C      -3.708481     -3.936936      3.010803
  C      -4.779675     -3.759955      2.120657
  C      -5.226748     -2.482204      1.792588
  C      -4.617515     -1.379514      2.373415
  F      -5.078061     -0.164730      2.034797
  C      -3.544823     -1.508008      3.289359
  C      -2.949986     -0.364627      3.972738
  O      -3.474186      0.774391      3.897770
  C      -1.699145     -0.484392      4.798137
  C      -3.106660     -2.813935      3.572049
  C      -6.433025     11.557831      2.073381
  C      -5.348558     10.518469      2.232185
  O      -4.327417     10.552149      1.555988
  C      -5.549087      9.429099      3.247712
  C      -6.693594      9.349494      4.060057
  C      -6.825439      8.320548      4.986592
  C      -5.813295      7.373727      5.095883
  F      -5.996038      6.391616      6.017379
  C      -4.649313      7.406909      4.309783
  C      -3.507365      6.427023      4.350149
  O      -2.551989      6.570425      3.603023
  C      -3.562904      5.261383      5.348870
  C      -4.553933      8.460809      3.389416
  C      -8.066907     -5.341362      4.378667
  C      -7.027466     -4.373036      4.889053
  O      -5.950467     -4.767593      5.325742
  C      -7.330943     -2.905912      4.834686
  C      -8.480547     -2.395927      4.204352
  C      -8.703028     -1.024568      4.143152
  C      -7.770871     -0.164953      4.713396
  F      -8.026753      1.161027      4.646766
  C      -6.611718     -0.623778      5.361671
  C      -5.547560      0.242618      5.960973
  O      -4.706658     -0.245943      6.705905
  C      -5.473274      1.727591      5.566458
  C      -6.425454     -2.012601      5.410124
  H      -3.413937     -7.408535      3.322891
  H      -4.954767     -6.492521      3.386177
  H      -4.021394     -6.544361      1.873547
  H      -5.276667     -4.623116      1.677288
  H      -6.049853     -2.322031      1.096203
  H      -0.854175     -0.605120      4.081878
  H      -1.714462     -1.402186      5.410153
  H      -2.289388     -2.994207      4.270571
  H      -6.591230     12.102190      3.017066
  H      -7.390245     11.084606      1.806511
  H      -6.141403     12.264351      1.289565
  H      -7.488783     10.090395      3.976349
  H      -7.701360      8.237279      5.630368
  H      -3.662553      5.716882      6.358337
  H      -4.499477      4.711800      5.173698
  H      -3.662223      8.517567      2.763116
  H      -9.039599     -5.176046      4.864645
  H      -7.729686     -6.366041      4.566591
  H      -8.218586     -5.202056      3.296331
  H      -9.210360     -3.067785      3.752403
  H      -9.589303     -0.606971      3.665140
  H      -6.313166      2.253709      6.057522
  H      -5.658267      1.808257      4.486345
  H      -5.534050     -2.400658      5.904904
  N      -1.585152      2.411744      3.443276
  H      -1.653414      2.026740      2.495160
88
Coordinates from ORCA-job orca E -6506.707607554175
  N      -1.563267      0.697175      5.632697
  Mo     -2.453385      2.378888      5.058421
  N      -4.223725      2.339902      5.984311
  C      -4.065800      2.768547      7.380134
  C      -2.726589      2.327687      7.978215
  N      -1.551376      2.744340      7.134625
  C      -0.385007      1.849876      7.344229
  C      -0.744591      0.477348      6.805707
  C      -1.181555      4.183774      7.331915
  C      -1.195532      4.819279      5.947240
  N      -2.441018      4.393789      5.335667
  H       0.175327     -0.079192      6.554821
  H      -1.287931     -0.128571      7.556750
  H       0.443393      2.274971      6.760359
  H      -0.098703      1.823223      8.407422
  H      -1.113338      5.916883      5.989051
  H      -0.337313      4.457239      5.354173
  H      -1.944818      4.653373      7.967322
  H      -0.212515      4.251552      7.848116
  H      -4.848625      2.308594      8.003747
  H      -4.191422      3.862186      7.469096
  H      -2.724937      1.233998      8.035991
  H      -2.604989      2.738947      8.993071
  C      -3.960878     -6.444566      2.836499
  C      -3.208804     -5.228966      3.308378
  O      -2.199097     -5.313449      3.995666
  C      -3.740761     -3.869523      2.934964
  C      -4.825377     -3.675130      2.065376
  C      -5.283001     -2.392400      1.773835
  C      -4.669375     -1.301200      2.370954
  F      -5.137402     -0.079910      2.069383
  C      -3.581575     -1.447758      3.266629
  C      -2.979706     -0.319049      3.966379
  O      -3.513966      0.816716      3.937255
  C      -1.705859     -0.443843      4.755581
  C      -3.134158     -2.757851      3.513775
  C      -6.454821     11.394150      1.850570
  C      -5.375538     10.355541      2.045803
  O      -4.381278     10.324406      1.330742
  C      -5.547530      9.349590      3.149177
  C      -6.667842      9.339243      3.998243
  C      -6.777284      8.385139      5.004234
  C      -5.766561      7.442396      5.155419
  F      -5.923457      6.535237      6.155152
  C      -4.625393      7.410089      4.337028
  C      -3.485743      6.429680      4.419822
  O      -2.524489      6.545862      3.675912
  C      -3.549100      5.293759      5.453809
  C      -4.551284      8.390324      3.337025
  C      -7.995535     -5.344474      4.350273
  C      -6.967641     -4.372328      4.876741
  O      -5.881860     -4.760238      5.296989
  C      -7.291371     -2.908418      4.853192
  C      -8.454936     -2.402492      4.246335
  C      -8.697999     -1.033609      4.214501
  C      -7.771393     -0.172056      4.790796
  F      -8.046106      1.151322      4.753267
  C      -6.598411     -0.627461      5.416402
  C      -5.540563      0.242611      6.022418
  O      -4.688870     -0.248342      6.753229
  C      -5.485466      1.734313      5.651141
  C      -6.391711     -2.013888      5.435975
  H      -3.435144     -7.346346      3.166177
  H      -4.975587     -6.433814      3.264180
  H      -4.058060     -6.453454      1.740499
  H      -5.325020     -4.529615      1.608158
  H      -6.116763     -2.219690      1.093256
  H      -0.878211     -0.515279      4.013386
  H      -1.681633     -1.380084      5.337037
  H      -2.306641     -2.951829      4.196288
  H      -6.573006     12.007126      2.757301
  H      -7.425639     10.914485      1.653549
  H      -6.185402     12.037781      1.006928
  H      -7.462343     10.076262      3.880927
  H      -7.633675      8.357181      5.678375
  H      -3.623842      5.771610      6.453987
  H      -4.497026      4.755467      5.303015
  H      -3.677271      8.394179      2.683789
  H      -8.968169     -5.204900      4.844194
  H      -7.641889     -6.367809      4.514029
  H      -8.154243     -5.183333      3.271926
  H      -9.180488     -3.075714      3.789504
  H      -9.595706     -0.619313      3.755310
  H      -6.320963      2.245412      6.164526
  H      -5.685760      1.830095      4.575226
  H      -5.489645     -2.398565      5.913728
  N      -1.652873      2.468474      3.474320
  H      -1.737512      2.076920      2.530175
88
Coordinates from ORCA-job orca E -6506.708095183146
  N      -1.561894      0.723027      5.617739
  Mo     -2.478958      2.408870      5.111651
  N      -4.232741      2.342235      6.067130
  C      -4.053126      2.741785      7.469246
  C      -2.714725      2.267367      8.043509
  N      -1.548679      2.708527      7.203728
  C      -0.376199      1.816608      7.363127
  C      -0.730852      0.464542      6.775908
  C      -1.181958      4.141788      7.437391
  C      -1.206681      4.811276      6.069540
  N      -2.457960      4.406437      5.459018
  H       0.191154     -0.073416      6.494196
  H      -1.264746     -0.175155      7.504860
  H       0.443375      2.270616      6.788754
  H      -0.078302      1.750641      8.421856
  H      -1.117471      5.907604      6.131480
  H      -0.353229      4.458448      5.463383
  H      -1.940526      4.592403      8.091974
  H      -0.208560      4.198308      7.947319
  H      -4.842458      2.289881      8.089919
  H      -4.152165      3.837122      7.570869
  H      -2.722323      1.171520      8.061703
  H      -2.574868      2.640694      9.070688
  C      -3.962523     -6.369057      2.705812
  C      -3.205305     -5.160190      3.185557
  O      -2.180803     -5.252717      3.849086
  C      -3.755123     -3.796035      2.856448
  C      -4.859746     -3.589623      2.015990
  C      -5.336752     -2.305578      1.765400
  C      -4.720550     -1.223294      2.375489
  F      -5.205020      0.001154      2.118022
  C      -3.610551     -1.382374      3.242134
  C      -3.002483     -0.267406      3.957144
  O      -3.546423      0.863821      3.972032
  C      -1.707148     -0.395879      4.709668
  C      -3.144668     -2.693286      3.448634
  C      -6.440000     11.242728      1.650621
  C      -5.368051     10.206384      1.891050
  O      -4.383933     10.124331      1.166025
  C      -5.534477      9.267092      3.052654
  C      -6.651273      9.308161      3.905166
  C      -6.762017      8.413923      4.964708
  C      -5.752428      7.479455      5.166040
  F      -5.905256      6.626650      6.213210
  C      -4.613982      7.400246      4.348509
  C      -3.475321      6.424633      4.487933
  O      -2.499932      6.516752      3.759435
  C      -3.553217      5.321619      5.557974
  C      -4.538241      8.318986      3.292243
  C      -7.962067     -5.342406      4.336430
  C      -6.933564     -4.371391      4.863244
  O      -5.834472     -4.756665      5.249860
  C      -7.271469     -2.910375      4.877161
  C      -8.452004     -2.403924      4.306168
  C      -8.710343     -1.037288      4.307451
  C      -7.780096     -0.178640      4.881846
  F      -8.068440      1.142736      4.877231
  C      -6.590331     -0.635555      5.473347
  C      -5.530024      0.233470      6.080991
  O      -4.663547     -0.265276      6.788390
  C      -5.494347      1.731620      5.740078
  C      -6.368053     -2.019202      5.460460
  H      -3.426396     -7.274476      3.007879
  H      -4.968669     -6.372488      3.153115
  H      -4.082099     -6.356750      1.612185
  H      -5.360737     -4.437477      1.547879
  H      -6.186826     -2.125812      1.107234
  H      -0.898815     -0.421793      3.944071
  H      -1.646945     -1.348436      5.260037
  H      -2.300928     -2.895567      4.108142
  H      -6.545228     11.902984      2.525157
  H      -7.417309     10.763304      1.487672
  H      -6.173096     11.838338      0.771649
  H      -7.444338     10.039034      3.747125
  H      -7.617000      8.426124      5.640976
  H      -3.617538      5.824352      6.545627
  H      -4.507945      4.790101      5.421593
  H      -3.666192      8.283538      2.637586
  H      -8.924080     -5.228897      4.857196
  H      -7.591715     -6.364916      4.464295
  H      -8.150617     -5.155007      3.267178
  H      -9.179973     -3.075417      3.850597
  H      -9.621652     -0.623173      3.875897
  H      -6.324623      2.224253      6.279220
  H      -5.714451      1.848353      4.670268
  H      -5.453040     -2.404212      5.912281
  N      -1.739327      2.553832      3.500432
  H      -1.844953      2.153961      2.561823
88
Coordinates from ORCA-job orca E -6506.708678481372
  N      -1.550163      0.751053      5.598297
  Mo     -2.499138      2.438286      5.152513
  N      -4.238814      2.342850      6.132641
  C      -4.039909      2.715486      7.539693
  C      -2.700741      2.218563      8.092457
  N      -1.541498      2.680757      7.258501
  C      -0.364843      1.792494      7.376551
  C      -0.714118      0.460378      6.745808
  C      -1.175917      4.108165      7.523829
  C      -1.213850      4.807670      6.172012
  N      -2.468488      4.414960      5.564892
  H       0.211120     -0.061418      6.444573
  H      -1.243689     -0.205801      7.453739
  H       0.449817      2.272556      6.816816
  H      -0.059908      1.690328      8.431018
  H      -1.125441      5.902498      6.253839
  H      -0.361608      4.471532      5.553549
  H      -1.927763      4.541689      8.197478
  H      -0.197831      4.153435      8.026038
  H      -4.832037      2.264728      8.157195
  H      -4.120675      3.811296      7.651307
  H      -2.714882      1.122044      8.080491
  H      -2.545561      2.561105      9.128199
  C      -3.944668     -6.307078      2.607997
  C      -3.187533     -5.100200      3.091509
  O      -2.149604     -5.194549      3.733745
  C      -3.756582     -3.735630      2.798512
  C      -4.880065     -3.525308      1.985059
  C      -5.377889     -2.243007      1.768836
  C      -4.761783     -1.165298      2.387015
  F      -5.265160      0.058296      2.166134
  C      -3.630905     -1.328336      3.226174
  C      -3.018353     -0.221504      3.950640
  O      -3.571669      0.904808      3.999847
  C      -1.704371     -0.350668      4.669018
  C      -3.145184     -2.637214      3.398360
  C      -6.425829     11.118073      1.501853
  C      -5.357879     10.087461      1.780030
  O      -4.376077      9.973951      1.055774
  C      -5.522484      9.195230      2.978277
  C      -6.642882      9.264570      3.824147
  C      -6.757434      8.412670      4.917800
  C      -5.744822      7.491351      5.158814
  F      -5.893961      6.677633      6.237076
  C      -4.602367      7.386974      4.350932
  C      -3.461579      6.422174      4.540700
  O      -2.468699      6.503626      3.834506
  C      -3.555020      5.340886      5.632369
  C      -4.521712      8.262437      3.258932
  C      -7.961820     -5.332311      4.325718
  C      -6.925925     -4.365244      4.844350
  O      -5.815719     -4.751347      5.197463
  C      -7.270225     -2.906531      4.892578
  C      -8.463885     -2.395632      4.355235
  C      -8.729108     -1.030315      4.385753
  C      -7.790830     -0.178256      4.956562
  F      -8.084528      1.142323      4.979672
  C      -6.588180     -0.640522      5.516010
  C      -5.519420      0.223360      6.121647
  O      -4.638893     -0.285879      6.803373
  C      -5.498299      1.726135      5.809521
  C      -6.358425     -2.021915      5.474462
  H      -3.396767     -7.212663      2.887875
  H      -4.944291     -6.326665      3.069244
  H      -4.083428     -6.279441      1.516850
  H      -5.380426     -4.369986      1.510477
  H      -6.243507     -2.062455      1.131483
  H      -0.915886     -0.344639      3.882897
  H      -1.616299     -1.315175      5.193562
  H      -2.285283     -2.840985      4.035803
  H      -6.531080     11.808432      2.352907
  H      -7.405645     10.638477      1.354288
  H      -6.156148     11.681738      0.602852
  H      -7.437662      9.985660      3.633048
  H      -7.616000      8.448221      5.588566
  H      -3.625424      5.862932      6.609322
  H      -4.510878      4.809589      5.499146
  H      -3.646360      8.205627      2.610475
  H      -8.909840     -5.237761      4.875590
  H      -7.580867     -6.354476      4.420452
  H      -8.184497     -5.123438      3.267059
  H      -9.197266     -3.063136      3.902329
  H      -9.650602     -0.613408      3.979376
  H      -6.324710      2.201084      6.370471
  H      -5.738422      1.863556      4.746387
  H      -5.433218     -2.410831      5.901103
  N      -1.825911      2.636629      3.514485
  H      -1.956240      2.215726      2.587856
88
Coordinates from ORCA-job orca E -6506.709359213446
  N      -1.534761      0.778153      5.576812
  Mo     -2.516425      2.464861      5.180747
  N      -4.244829      2.345168      6.180063
  C      -4.030659      2.695416      7.590469
  C      -2.689743      2.184546      8.125022
  N      -1.534697      2.663855      7.298437
  C      -0.356788      1.776359      7.387952
  C      -0.703149      0.462372      6.720388
  C      -1.168899      4.085913      7.590810
  C      -1.216464      4.810132      6.252983
  N      -2.470632      4.419992      5.646867
  H       0.224506     -0.051277      6.412186
  H      -1.236226     -0.220115      7.410167
  H       0.457934      2.275362      6.845285
  H      -0.049336      1.641979      8.438546
  H      -1.136678      5.903514      6.354751
  H      -0.360959      4.496492      5.626260
  H      -1.915835      4.506345      8.277945
  H      -0.188169      4.121372      8.088181
  H      -4.821175      2.239157      8.205841
  H      -4.102275      3.790609      7.712591
  H      -2.707357      1.088383      8.090183
  H      -2.526767      2.502708      9.167475
  C      -3.928839     -6.258893      2.530785
  C      -3.177028     -5.052713      3.023166
  O      -2.126491     -5.147628      3.645292
  C      -3.761990     -3.689471      2.758978
  C      -4.900450     -3.478041      1.967040
  C      -5.413626     -2.197212      1.778196
  C      -4.797113     -1.123088      2.402453
  F      -5.316110      0.098585      2.208255
  C      -3.650569     -1.287225      3.219843
  C      -3.034325     -0.184826      3.949996
  O      -3.596297      0.936631      4.024956
  C      -1.704869     -0.313395      4.637890
  C      -3.150248     -2.593959      3.364027
  C      -6.409828     11.029387      1.397523
  C      -5.341576     10.008417      1.706970
  O      -4.357085      9.878687      0.988555
  C      -5.508770      9.143640      2.924290
  C      -6.637831      9.221907      3.757775
  C      -6.757406      8.394273      4.869553
  C      -5.739361      7.487634      5.139850
  F      -5.889701      6.696748      6.234433
  C      -4.588031      7.375234      4.345421
  C      -3.444081      6.423370      4.573871
  O      -2.432448      6.507325      3.894324
  C      -3.552830      5.352001      5.672857
  C      -4.501646      8.226370      3.234718
  C      -7.961128     -5.326047      4.317421
  C      -6.919136     -4.361643      4.827877
  O      -5.800494     -4.748214      5.153965
  C      -7.269030     -2.905776      4.906134
  C      -8.473458     -2.391653      4.396786
  C      -8.743219     -1.027705      4.452109
  C      -7.797954     -0.181136      5.019463
  F      -8.095637      1.138365      5.065526
  C      -6.584948     -0.646813      5.551960
  C      -5.507082      0.212903      6.150998
  O      -4.613283     -0.303418      6.809618
  C      -5.499709      1.718939      5.861036
  C      -6.350343     -2.026389      5.486547
  H      -3.369200     -7.163732      2.788968
  H      -4.924193     -6.296645      3.000294
  H      -4.081525     -6.215031      1.441704
  H      -5.400578     -4.320494      1.488266
  H      -6.291345     -2.016677      1.157597
  H      -0.934697     -0.294163      3.834157
  H      -1.600009     -1.285051      5.145710
  H      -2.277383     -2.797554      3.983461
  H      -6.524986     11.737999      2.232252
  H      -7.388167     10.545675      1.252188
  H      -6.134630     11.574154      0.488595
  H      -7.436202      9.932212      3.542164
  H      -7.623011      8.438737      5.530614
  H      -3.639898      5.887092      6.641575
  H      -4.505872      4.816017      5.535971
  H      -3.619352      8.163577      2.596503
  H      -8.896616     -5.246281      4.891129
  H      -7.572794     -6.347503      4.385633
  H      -8.212585     -5.101280      3.268494
  H      -9.211381     -3.055939      3.946383
  H      -9.672807     -0.608917      4.066661
  H      -6.325203      2.177594      6.437572
  H      -5.757809      1.871785      4.804037
  H      -5.416507     -2.418727      5.890442
  N      -1.905080      2.710518      3.520107
  H      -2.057183      2.258647      2.610846
88
Coordinates from ORCA-job orca E -6506.710099561041
  N      -1.521087      0.808048      5.553215
  Mo     -2.536984      2.490439      5.208420
  N      -4.251780      2.343347      6.228244
  C      -4.020628      2.671762      7.641003
  C      -2.674986      2.151917      8.152668
  N      -1.527360      2.653570      7.331549
  C      -0.347090      1.766836      7.394356
  C      -0.692872      0.470596      6.692604
  C      -1.166192      4.070001      7.652557
  C      -1.224865      4.821257      6.330581
  N      -2.475573      4.425235      5.721422
  H       0.234926     -0.038582      6.377449
  H      -1.229212     -0.225256      7.366703
  H       0.466132      2.282032      6.864517
  H      -0.033724      1.601481      8.438779
  H      -1.161960      5.912984      6.456747
  H      -0.364444      4.537282      5.696423
  H      -1.911214      4.474207      8.351037
  H      -0.183295      4.099872      8.145237
  H      -4.802964      2.204354      8.258572
  H      -4.089770      3.765014      7.780730
  H      -2.690566      1.057185      8.092936
  H      -2.510480      2.445391      9.202430
  C      -3.918268     -6.211368      2.450694
  C      -3.171475     -5.005779      2.952105
  O      -2.108807     -5.101478      3.553969
  C      -3.772438     -3.644632      2.718719
  C      -4.925656     -3.431699      1.948357
  C      -5.451183     -2.151416      1.788594
  C      -4.832939     -1.082382      2.420143
  F      -5.366815      0.137300      2.251716
  C      -3.672387     -1.248314      3.216185
  C      -3.053790     -0.150244      3.952667
  O      -3.627587      0.963068      4.058291
  C      -1.708810     -0.275400      4.608297
  C      -3.160250     -2.553175      3.330319
  C      -6.378012     10.956353      1.303015
  C      -5.312022      9.942685      1.642231
  O      -4.315691      9.808187      0.940778
  C      -5.490429      9.097779      2.871198
  C      -6.632675      9.179552      3.686085
  C      -6.761397      8.369235      4.809688
  C      -5.739727      7.476459      5.109755
  F      -5.900246      6.704378      6.215788
  C      -4.574620      7.361071      4.334453
  C      -3.427663      6.424445      4.600033
  O      -2.400002      6.509764      3.944452
  C      -3.555357      5.360965      5.701996
  C      -4.479528      8.195115      3.211650
  C      -7.951591     -5.325784      4.309865
  C      -6.906664     -4.362690      4.816549
  O      -5.781285     -4.748227      5.120644
  C      -7.264049     -2.910873      4.924398
  C      -8.478962     -2.395538      4.440460
  C      -8.754004     -1.033955      4.521229
  C      -7.804549     -0.191333      5.087668
  F      -8.108107      1.125686      5.157450
  C      -6.581390     -0.657930      5.595430
  C      -5.497265      0.197964      6.187628
  O      -4.589265     -0.323027      6.822975
  C      -5.503405      1.707980      5.918280
  C      -6.341605     -2.035470      5.504738
  H      -3.347113     -7.115351      2.685060
  H      -4.907646     -6.265908      2.931090
  H      -4.085844     -6.150689      1.364289
  H      -5.426977     -4.270881      1.465278
  H      -6.340381     -1.968637      1.185260
  H      -0.956768     -0.249387      3.788036
  H      -1.589624     -1.252314      5.103098
  H      -2.275601     -2.758314      3.932425
  H      -6.509997     11.675161      2.126540
  H      -7.352337     10.467817      1.146802
  H      -6.089611     11.491080      0.392243
  H      -7.433631      9.879399      3.446706
  H      -7.637166      8.418306      5.456860
  H      -3.658667      5.907608      6.662791
  H      -4.506052      4.821806      5.560980
  H      -3.586828      8.131061      2.588160
  H      -8.876659     -5.260208      4.902206
  H      -7.556585     -6.345927      4.355339
  H      -8.224696     -5.087150      3.269473
  H      -9.219892     -3.056972      3.990895
  H      -9.691251     -0.614546      4.155470
  H      -6.326475      2.150946      6.510990
  H      -5.779754      1.874030      4.867859
  H      -5.399612     -2.430080      5.887032
  N      -1.987670      2.780377      3.529627
  H      -2.159626      2.295012      2.640560
88
Coordinates from ORCA-job orca E -6506.710884944988
  N      -1.515112      0.842195      5.523392
  Mo     -2.570052      2.513287      5.234233
  N      -4.265474      2.332193      6.278857
  C      -4.014269      2.640782      7.692168
  C      -2.658508      2.119656      8.174915
  N      -1.524755      2.649909      7.353971
  C      -0.337672      1.769191      7.386158
  C      -0.681500      0.489127      6.654046
  C      -1.175320      4.061017      7.703921
  C      -1.251289      4.841956      6.400569
  N      -2.495837      4.430025      5.786681
  H       0.245649     -0.012518      6.325397
  H      -1.212913     -0.222186      7.316131
  H       0.467874      2.302287      6.861892
  H      -0.011360      1.576040      8.421439
  H      -1.214913      5.931177      6.554967
  H      -0.386064      4.595008      5.758205
  H      -1.919989      4.443449      8.414401
  H      -0.188933      4.091536      8.188943
  H      -4.781328      2.157576      8.317011
  H      -4.087790      3.731031      7.853995
  H      -2.665280      1.027148      8.089704
  H      -2.494407      2.389924      9.231358
  C      -3.907376     -6.169507      2.373116
  C      -3.166348     -4.963173      2.882254
  O      -2.088981     -5.056887      3.458220
  C      -3.785722     -3.605928      2.680720
  C      -4.955415     -3.394138      1.934322
  C      -5.494106     -2.115508      1.804670
  C      -4.874115     -1.050672      2.441769
  F      -5.424733      0.165754      2.298848
  C      -3.698509     -1.215938      3.214074
  C      -3.079566     -0.121008      3.955567
  O      -3.668222      0.980109      4.095934
  C      -1.718709     -0.236624      4.576434
  C      -3.173447     -2.517638      3.297148
  C      -6.309666     10.924265      1.224783
  C      -5.246916      9.919044      1.597824
  O      -4.236687      9.779223      0.917465
  C      -5.454464      9.077399      2.823995
  C      -6.616432      9.158324      3.610567
  C      -6.767042      8.351539      4.734089
  C      -5.750127      7.463394      5.062243
  F      -5.936997      6.698793      6.168954
  C      -4.565919      7.347524      4.314448
  C      -3.423290      6.417452      4.611476
  O      -2.376606      6.506860      3.986927
  C      -3.575616      5.365694      5.718279
  C      -4.449698      8.178987      3.191909
  C      -7.927085     -5.341537      4.306442
  C      -6.883408     -4.376728      4.812863
  O      -5.750477     -4.756839      5.094969
  C      -7.252988     -2.930764      4.950560
  C      -8.480061     -2.418748      4.492230
  C      -8.763943     -1.061109      4.599049
  C      -7.813439     -0.218852      5.164607
  F      -8.126834      1.093854      5.258568
  C      -6.578478     -0.681707      5.647486
  C      -5.491730      0.173067      6.231280
  O      -4.568574     -0.348059      6.844821
  C      -5.515411      1.687705      5.983306
  C      -6.330485     -2.056309      5.530576
  H      -3.322284     -7.071018      2.580330
  H      -4.887395     -6.242020      2.869995
  H      -4.093892     -6.091876      1.290689
  H      -5.458189     -4.230721      1.448553
  H      -6.395908     -1.931215      1.220862
  H      -0.984416     -0.206778      3.740856
  H      -1.584387     -1.216361      5.062778
  H      -2.276165     -2.723204      3.880587
  H      -6.466945     11.648361      2.039055
  H      -7.276101     10.427713      1.046325
  H      -6.000928     11.454567      0.318120
  H      -7.413840      9.854677      3.350081
  H      -7.657675      8.401589      5.360577
  H      -3.695650      5.925151      6.669872
  H      -4.523927      4.824335      5.571878
  H      -3.542026      8.116319      2.590048
  H      -8.842234     -5.294067      4.915636
  H      -7.522322     -6.358616      4.328987
  H      -8.219015     -5.089013      3.274550
  H      -9.222059     -3.079161      4.043197
  H      -9.709921     -0.644141      4.253456
  H      -6.333705      2.113676      6.595027
  H      -5.811079      1.865345      4.940138
  H      -5.379209     -2.449765      5.890808
  N      -2.085022      2.847539      3.541404
  H      -2.271209      2.330040      2.672785
88
Coordinates from ORCA-job orca E -6506.711697384426
  N      -1.519468      0.887375      5.487681
  Mo     -2.617644      2.540478      5.272230
  N      -4.285034      2.313590      6.348499
  C      -4.006257      2.596467      7.761286
  C      -2.635178      2.077865      8.203587
  N      -1.523883      2.645831      7.377797
  C      -0.325818      1.778129      7.364937
  C      -0.668059      0.516949      6.600371
  C      -1.189920      4.049724      7.762968
  C      -1.291063      4.868000      6.485081
  N      -2.529561      4.439266      5.866545
  H       0.257165      0.029993      6.245564
  H      -1.184027     -0.216875      7.250081
  H       0.463286      2.335437      6.840367
  H       0.023311      1.555633      8.386284
  H      -1.285048      5.952211      6.674453
  H      -0.424570      4.663339      5.830780
  H      -1.932534      4.402309      8.490299
  H      -0.197564      4.082699      8.235365
  H      -4.751796      2.092696      8.396178
  H      -4.086555      3.682019      7.952520
  H      -2.629444      0.988774      8.086573
  H      -2.465552      2.320524      9.266164
  C      -3.900294     -6.110657      2.271969
  C      -3.162247     -4.903315      2.784607
  O      -2.069204     -4.993501      3.330794
  C      -3.805511     -3.551829      2.626620
  C      -4.996679     -3.341963      1.913366
  C      -5.553080     -2.067390      1.823776
  C      -4.931096     -1.007728      2.467585
  F      -5.502346      0.203726      2.360185
  C      -3.735670     -1.171852      3.207698
  C      -3.116505     -0.082523      3.956699
  O      -3.722123      1.001162      4.143491
  C      -1.736879     -0.183704      4.534318
  C      -3.192955     -2.467977      3.249795
  C      -6.203214     10.880298      1.119688
  C      -5.153604      9.878310      1.536870
  O      -4.114014      9.743269      0.901513
  C      -5.404535      9.046889      2.761871
  C      -6.594873      9.129785      3.504703
  C      -6.779658      8.331826      4.629415
  C      -5.771779      7.451589      5.003735
  F      -5.999541      6.700091      6.111593
  C      -4.560121      7.333427      4.299959
  C      -3.422888      6.414621      4.643633
  O      -2.358360      6.499325      4.049356
  C      -3.608777      5.374270      5.753644
  C      -4.411129      8.156552      3.175284
  C      -7.886526     -5.366952      4.305154
  C      -6.846582     -4.398059      4.812281
  O      -5.703928     -4.767931      5.066608
  C      -7.233511     -2.960623      4.986303
  C      -8.476602     -2.456549      4.561454
  C      -8.774617     -1.105404      4.701166
  C      -7.824739     -0.260932      5.264797
  F      -8.153455      1.044709      5.390507
  C      -6.573924     -0.715705      5.715075
  C      -5.487611      0.140186      6.290896
  O      -4.543652     -0.378963      6.874324
  C      -5.534947      1.660278      6.071855
  C      -6.312692     -2.085116      5.564980
  H      -3.298855     -7.008195      2.446459
  H      -4.865279     -6.202826      2.794294
  H      -4.114476     -6.015761      1.196094
  H      -5.501090     -4.175082      1.423657
  H      -6.471265     -1.881762      1.266543
  H      -1.023846     -0.140866      3.681722
  H      -1.579851     -1.167101      5.007518
  H      -2.279117     -2.673749      3.807505
  H      -6.396034     11.605779      1.924911
  H      -7.158351     10.377818      0.902083
  H      -5.858981     11.410010      0.225549
  H      -7.386074      9.819346      3.209821
  H      -7.692263      8.383888      5.223327
  H      -3.744935      5.944025      6.696868
  H      -4.555683      4.834112      5.597286
  H      -3.481852      8.092686      2.607116
  H      -8.789478     -5.344352      4.933448
  H      -7.467706     -6.378587      4.299540
  H      -8.200112     -5.097819      3.283962
  H      -9.218922     -3.117296      4.113730
  H      -9.732462     -0.694115      4.382354
  H      -6.343709      2.064246      6.710261
  H      -5.854597      1.852934      5.038621
  H      -5.349264     -2.473634      5.897732
  N      -2.207237      2.924136      3.569279
  H      -2.405844      2.380576      2.718879
88
Coordinates from ORCA-job orca E -6506.712571557163
  N      -1.538839      0.944096      5.443131
  Mo     -2.684119      2.569769      5.314207
  N      -4.316422      2.285861      6.424964
  C      -4.005136      2.541061      7.835079
  C      -2.615303      2.031032      8.230259
  N      -1.534219      2.643332      7.396320
  C      -0.321237      1.798988      7.327064
  C      -0.659367      0.557680      6.530513
  C      -1.219227      4.038926      7.820088
  C      -1.352142      4.897650      6.572984
  N      -2.584053      4.451751      5.949888
  H       0.263873      0.094706      6.140475
  H      -1.149856     -0.204747      7.166651
  H       0.442673      2.387491      6.798944
  H       0.058175      1.549248      8.330802
  H      -1.378944      5.974011      6.800866
  H      -0.487552      4.738670      5.904776
  H      -1.957927      4.354982      8.567527
  H      -0.219414      4.076914      8.276490
  H      -4.725339      2.014489      8.480820
  H      -4.093637      3.620894      8.056700
  H      -2.594455      0.946440      8.078892
  H      -2.431851      2.245177      9.296772
  C      -3.888875     -6.044163      2.157740
  C      -3.155068     -4.833570      2.670323
  O      -2.042310     -4.914190      3.176172
  C      -3.828588     -3.491758      2.563820
  C      -5.046429     -3.289490      1.894000
  C      -5.627611     -2.023931      1.851013
  C      -5.004866     -0.967067      2.498576
  F      -5.601819      0.235597      2.434848
  C      -3.784230     -1.124538      3.197083
  C      -3.165899     -0.040362      3.952979
  O      -3.790020      1.020695      4.192216
  C      -1.766017     -0.119055      4.481323
  C      -3.216567     -2.410496      3.191620
  C      -6.046610     10.856467      1.009331
  C      -5.015890      9.859488      1.482994
  O      -3.948470      9.718669      0.897599
  C      -5.327480      9.034343      2.698654
  C      -6.551408      9.122537      3.384424
  C      -6.786306      8.330738      4.504069
  C      -5.798227      7.451988      4.931774
  F      -6.080647      6.710542      6.033879
  C      -4.555678      7.327835      4.285290
  C      -3.433173      6.412954      4.681018
  O      -2.344939      6.496456      4.131778
  C      -3.661736      5.385384      5.794512
  C      -4.357277      8.145285      3.164112
  C      -7.826934     -5.416197      4.318631
  C      -6.793320     -4.437586      4.820887
  O      -5.637582     -4.789101      5.038034
  C      -7.204055     -3.011971      5.034929
  C      -8.468157     -2.524516      4.653881
  C      -8.787340     -1.182822      4.829688
  C      -7.839481     -0.330245      5.384642
  F      -8.190180      0.965182      5.546349
  C      -6.567679     -0.768657      5.792026
  C      -5.484107      0.095059      6.354921
  O      -4.514506     -0.416009      6.902851
  C      -5.564864      1.619634      6.169445
  C      -6.286088     -2.129924      5.606007
  H      -3.265631     -6.933642      2.292329
  H      -4.831705     -6.162925      2.713990
  H      -4.141250     -5.931808      1.092098
  H      -5.551467     -4.120911      1.402258
  H      -6.566501     -1.841886      1.328129
  H      -1.077722     -0.053843      3.610782
  H      -1.577611     -1.105162      4.938117
  H      -2.281641     -2.611846      3.715539
  H      -6.279996     11.586587      1.799217
  H      -6.987148     10.347277      0.748461
  H      -5.660233     11.381284      0.129631
  H      -7.328298      9.810137      3.049963
  H      -7.725016      8.386814      5.055526
  H      -3.818394      5.963703      6.729229
  H      -4.606247      4.847478      5.620606
  H      -3.402491      8.076618      2.640186
  H      -8.712441     -5.426104      4.971319
  H      -7.387923     -6.418538      4.279646
  H      -8.170768     -5.130922      3.311745
  H      -9.210051     -3.189991      4.212696
  H      -9.761236     -0.783657      4.545848
  H      -6.361142      1.995875      6.839002
  H      -5.912314      1.827417      5.148400
  H      -5.306441     -2.506179      5.904111
  N      -2.358291      3.004618      3.605185
  H      -2.565651      2.440467      2.770075
88
Coordinates from ORCA-job orca E -6506.713578580517
  N      -1.580741      1.012406      5.396354
  Mo     -2.770551      2.602414      5.367969
  N      -4.360228      2.253079      6.516756
  C      -4.009938      2.477630      7.921093
  C      -2.599595      1.978440      8.261478
  N      -1.557604      2.639349      7.415320
  C      -0.328313      1.829576      7.276213
  C      -0.661928      0.609936      6.448760
  C      -1.261288      4.024353      7.882517
  C      -1.430733      4.927996      6.673694
  N      -2.656715      4.469478      6.045210
  H       0.257539      0.181672      6.013001
  H      -1.116204     -0.187003      7.068661
  H       0.401180      2.455787      6.742754
  H       0.088664      1.555303      8.258396
  H      -1.489350      5.992663      6.945813
  H      -0.572445      4.817807      5.988673
  H      -1.993023      4.297055      8.653364
  H      -0.252985      4.067021      8.320433
  H      -4.702868      1.928656      8.577934
  H      -4.104273      3.551325      8.172683
  H      -2.564735      0.899562      8.073028
  H      -2.388188      2.163310      9.328101
  C      -3.877992     -5.959678      2.017564
  C      -3.149484     -4.743936      2.526578
  O      -2.015107     -4.808536      2.983121
  C      -3.860251     -3.417125      2.485393
  C      -5.109397     -3.228184      1.871561
  C      -5.723910     -1.978781      1.886995
  C      -5.102992     -0.923586      2.538730
  F      -5.730883      0.264774      2.533177
  C      -3.851731     -1.068924      3.184032
  C      -3.234492      0.008427      3.948722
  O      -3.875628      1.042380      4.246479
  C      -1.814035     -0.041599      4.422485
  C      -3.250389     -2.337936      3.119179
  C      -5.849422     10.817488      0.876506
  C      -4.849946      9.818069      1.409674
  O      -3.758587      9.658218      0.876699
  C      -5.227053      9.015363      2.622653
  C      -6.480261      9.127451      3.250197
  C      -6.773195      8.355700      4.369996
  C      -5.815652      7.474034      4.858285
  F      -6.155084      6.753990      5.958807
  C      -4.547631      7.327462      4.272007
  C      -3.449992      6.411022      4.728438
  O      -2.339922      6.479145      4.224051
  C      -3.729566      5.403865      5.851793
  C      -4.290783      8.124236      3.147532
  C      -7.734434     -5.480248      4.331009
  C      -6.713204     -4.485681      4.827961
  O      -5.541393     -4.807680      4.997630
  C      -7.157391     -3.078035      5.092064
  C      -8.447046     -2.618822      4.766870
  C      -8.797731     -1.291675      4.986911
  C      -7.856174     -0.424385      5.529662
  F      -8.237908      0.855700      5.735989
  C      -6.558890     -0.835634      5.882529
  C      -5.482307      0.043874      6.430723
  O      -4.482142     -0.452820      6.935477
  C      -5.606084      1.570828      6.284606
  C      -6.246244     -2.183438      5.653273
  H      -3.228478     -6.836306      2.104984
  H      -4.790402     -6.112457      2.614734
  H      -4.178939     -5.830390      0.967033
  H      -5.613112     -4.058786      1.377146
  H      -6.687693     -1.805958      1.408081
  H      -1.154451      0.057892      3.534142
  H      -1.585930     -1.029431      4.857348
  H      -2.289690     -2.529611      3.598642
  H      -6.111446     11.559886      1.645355
  H      -6.780301     10.309972      0.580546
  H      -5.418711     11.326469      0.008152
  H      -7.234637      9.816402      2.870496
  H      -7.735189      8.428566      4.877812
  H      -3.907823      5.992085      6.775943
  H      -4.671979      4.871083      5.655251
  H      -3.313770      8.035704      2.669341
  H      -8.596330     -5.536277      5.012081
  H      -7.266867     -6.466938      4.248232
  H      -8.118159     -5.176094      3.344359
  H      -9.185311     -3.294070      4.334613
  H      -9.791671     -0.913313      4.747420
  H      -6.385465      1.914134      6.989702
  H      -5.985573      1.793386      5.278468
  H      -5.246354     -2.537261      5.908612
  N      -2.537698      3.095211      3.660014
  H      -2.747733      2.525445      2.829672
88
Coordinates from ORCA-job orca E -6506.714746278624
  N      -1.623647      1.080379      5.359282
  Mo     -2.850284      2.634848      5.426984
  N      -4.397096      2.222697      6.611145
  C      -4.005008      2.414479      8.008003
  C      -2.576801      1.928283      8.293230
  N      -1.574566      2.634949      7.436987
  C      -0.334098      1.861072      7.229408
  C      -0.667412      0.662467      6.375856
  C      -1.291212      4.008792      7.944490
  C      -1.498555      4.951474      6.773813
  N      -2.721434      4.487135      6.142369
  H       0.246295      0.267838      5.898281
  H      -1.088274     -0.164210      6.979581
  H       0.362323      2.521921      6.693656
  H       0.119218      1.566102      8.189648
  H      -1.582405      6.002913      7.087310
  H      -0.648664      4.887724      6.072828
  H      -2.010069      4.240337      8.740375
  H      -0.273746      4.053697      8.361203
  H      -4.671699      1.842445      8.672118
  H      -4.103018      3.481441      8.287173
  H      -2.530603      0.855995      8.069654
  H      -2.330484      2.085513      9.356527
  C      -3.859253     -5.871356      1.887661
  C      -3.139683     -4.649072      2.393660
  O      -1.988467     -4.694603      2.807456
  C      -3.885025     -3.340173      2.412679
  C      -5.159633     -3.168508      1.848994
  C      -5.808000     -1.939167      1.919922
  C      -5.194184     -0.884787      2.579534
  F      -5.851876      0.285479      2.631244
  C      -3.916746     -1.013584      3.176298
  C      -3.302149      0.057587      3.951282
  O      -3.957497      1.063603      4.305126
  C      -1.864506      0.035626      4.373681
  C      -3.281211     -2.261784      3.054511
  C      -5.687891     10.742981      0.743576
  C      -4.709968      9.754666      1.334780
  O      -3.601417      9.578719      0.844897
  C      -5.135794      8.978793      2.549762
  C      -6.411824      9.109040      3.126589
  C      -6.752068      8.362014      4.249510
  C      -5.818225      7.486745      4.792709
  F      -6.198653      6.788469      5.894076
  C      -4.530904      7.323955      4.259278
  C      -3.456010      6.412152      4.775930
  O      -2.326659      6.467898      4.316020
  C      -3.782446      5.426864      5.910043
  C      -4.225027      8.095215      3.128875
  C      -7.664877     -5.520569      4.322358
  C      -6.653028     -4.516090      4.818631
  O      -5.469358     -4.813323      4.944251
  C      -7.122161     -3.126880      5.134432
  C      -8.431008     -2.690888      4.861276
  C      -8.806621     -1.378683      5.126852
  C      -7.869436     -0.502706      5.662929
  F      -8.274402      0.762431      5.914506
  C      -6.552936     -0.892245      5.964974
  C      -5.480449     -0.001443      6.504562
  O      -4.455493     -0.488830      6.966550
  C      -5.639644      1.525692      6.400456
  C      -6.215055     -2.225194      5.691439
  H      -3.185418     -6.732844      1.933497
  H      -4.743105     -6.058833      2.517016
  H      -4.203567     -5.729546      0.852547
  H      -5.658221     -3.999444      1.349874
  H      -6.792714     -1.780277      1.480370
  H      -1.235113      0.170323      3.469100
  H      -1.597854     -0.952895      4.784126
  H      -2.298693     -2.439594      3.493384
  H      -5.976470     11.501406      1.486609
  H      -6.607927     10.228928      0.425934
  H      -5.225311     11.232256     -0.119709
  H      -7.148145      9.792418      2.704053
  H      -7.732448      8.447484      4.718814
  H      -3.984119      6.027379      6.820726
  H      -4.722225      4.899155      5.689726
  H      -3.231060      7.991332      2.690534
  H      -8.504235     -5.618989      5.026338
  H      -7.175642     -6.491986      4.195719
  H      -8.085093     -5.196348      3.357271
  H      -9.166514     -3.372209      4.433845
  H      -9.815929     -1.017717      4.928407
  H      -6.399797      1.837870      7.139524
  H      -6.052623      1.764601      5.411618
  H      -5.199624     -2.559872      5.907793
  N      -2.724926      3.179383      3.723583
  H      -2.944767      2.604165      2.899811
88
Coordinates from ORCA-job orca E -6506.716177186411
  N      -1.668859      1.140007      5.329468
  Mo     -2.920999      2.663267      5.489010
  N      -4.423707      2.195277      6.710176
  C      -3.987140      2.351968      8.097302
  C      -2.544334      1.876878      8.325044
  N      -1.585064      2.623193      7.455042
  C      -0.337853      1.889949      7.177479
  C      -0.672751      0.708733      6.306206
  C      -1.307642      3.987135      8.000147
  C      -1.547666      4.964293      6.867731
  N      -2.769914      4.507782      6.231244
  H       0.233902      0.350264      5.788167
  H      -1.058841     -0.143889      6.895725
  H       0.324876      2.583524      6.641255
  H       0.151228      1.582266      8.117274
  H      -1.647113      6.001155      7.222693
  H      -0.707125      4.944046      6.152491
  H      -2.009686      4.178312      8.821489
  H      -0.282044      4.028630      8.397378
  H      -4.631586      1.758222      8.763720
  H      -4.085337      3.413066      8.397479
  H      -2.493686      0.810620      8.070801
  H      -2.244648      2.010536      9.377286
  C      -3.826664     -5.794691      1.791676
  C      -3.120707     -4.563295      2.292259
  O      -1.957532     -4.585225      2.672776
  C      -3.898018     -3.273733      2.356213
  C      -5.190344     -3.125006      1.830925
  C      -5.874943     -1.919501      1.942979
  C      -5.276122     -0.861440      2.610701
  F      -5.960038      0.288542      2.709578
  C      -3.978200     -0.967300      3.169431
  C      -3.369342      0.100604      3.954782
  O      -4.036531      1.079411      4.359372
  C      -1.917515      0.103670      4.332601
  C      -3.305708     -2.191244      3.004087
  C      -5.574221     10.647702      0.620238
  C      -4.603302      9.687996      1.267001
  O      -3.477165      9.515372      0.818148
  C      -5.058643      8.935380      2.486542
  C      -6.355516      9.065313      3.016364
  C      -6.733793      8.341524      4.141814
  C      -5.810960      7.487202      4.734696
  F      -6.212428      6.801528      5.836686
  C      -4.506456      7.327103      4.250593
  C      -3.448675      6.429441      4.827843
  O      -2.301481      6.486309      4.416270
  C      -3.814231      5.456973      5.969566
  C      -4.158445      8.074276      3.115400
  C      -7.628686     -5.531185      4.290440
  C      -6.621793     -4.527391      4.796951
  O      -5.431343     -4.810237      4.889069
  C      -7.103584     -3.153642      5.159917
  C      -8.422753     -2.730644      4.927606
  C      -8.814854     -1.431222      5.234425
  C      -7.878473     -0.555549      5.771467
  F      -8.295585      0.698124      6.064293
  C      -6.551549     -0.934199      6.033244
  C      -5.478109     -0.037279      6.573874
  O      -4.437524     -0.524144      6.998366
  C      -5.663220      1.487474      6.515439
  C      -6.195328     -2.252497      5.720724
  H      -3.129102     -6.638570      1.807181
  H      -4.686574     -6.017019      2.442705
  H      -4.207828     -5.648761      0.770431
  H      -5.677531     -3.960301      1.327392
  H      -6.875002     -1.781906      1.531829
  H      -1.317876      0.275907      3.414885
  H      -1.615010     -0.883743      4.717985
  H      -2.306709     -2.348587      3.411328
  H      -5.896785     11.417846      1.336798
  H      -6.478542     10.115755      0.287171
  H      -5.091506     11.122809     -0.239928
  H      -7.081675      9.732087      2.551903
  H      -7.730914      8.425301      4.574572
  H      -4.049640      6.064362      6.866274
  H      -4.745915      4.931320      5.712897
  H      -3.149434      7.968994      2.714408
  H      -8.454874     -5.663691      5.004490
  H      -7.127610     -6.490597      4.125037
  H      -8.072789     -5.183781      3.344297
  H      -9.157105     -3.412701      4.499012
  H      -9.833364     -1.080488      5.067884
  H      -6.402742      1.772082      7.285788
  H      -6.109145      1.745891      5.546102
  H      -5.170362     -2.573749      5.908627
  N      -2.916070      3.263088      3.798763
  H      -3.152491      2.711178      2.964943
88
Coordinates from ORCA-job orca E -6506.717506747573
  N      -1.716420      1.210410      5.297244
  Mo     -3.000711      2.693288      5.546028
  N      -4.455481      2.165939      6.799430
  C      -3.978668      2.295497      8.176043
  C      -2.524359      1.835631      8.349339
  N      -1.605245      2.624780      7.474320
  C      -0.352119      1.929979      7.136136
  C      -0.686785      0.770096      6.237859
  C      -1.337773      3.976967      8.055403
  C      -1.609901      4.981291      6.956302
  N      -2.830599      4.522237      6.317086
  H       0.212652      0.446509      5.685537
  H      -1.041963     -0.107825      6.809008
  H       0.279672      2.655194      6.604544
  H       0.170980      1.604449      8.051743
  H      -1.728352      6.003730      7.345375
  H      -0.776288      5.002602      6.233056
  H      -2.026137      4.132978      8.895359
  H      -0.305653      4.020995      8.435277
  H      -4.596989      1.679143      8.846511
  H      -4.079516      3.349616      8.499513
  H      -2.466614      0.777645      8.063106
  H      -2.190820      1.943918      9.394297
  C      -3.803666     -5.705441      1.674186
  C      -3.112758     -4.464901      2.172501
  O      -1.936266     -4.462298      2.510777
  C      -3.921853     -3.199134      2.292946
  C      -5.234881     -3.074820      1.815667
  C      -5.949695     -1.893065      1.979819
  C      -5.358527     -0.834702      2.653936
  F      -6.069201      0.292599      2.806378
  C      -4.039880     -0.917027      3.166231
  C      -3.436338      0.147461      3.961505
  O      -4.117299      1.092571      4.418788
  C      -1.972110      0.184903      4.288201
  C      -3.337698     -2.115521      2.947297
  C      -5.423634     10.562265      0.502035
  C      -4.477429      9.613766      1.199858
  O      -3.340442      9.423054      0.786850
  C      -4.972111      8.891224      2.422315
  C      -6.282963      9.040824      2.910691
  C      -6.700702      8.346339      4.040596
  C      -5.800906      7.500468      4.679328
  F      -6.235403      6.843088      5.785739
  C      -4.484229      7.321542      4.237180
  C      -3.450830      6.430761      4.867260
  O      -2.290067      6.475370      4.494308
  C      -3.856735      5.478229      6.014506
  C      -4.095524      8.039398      3.096148
  C      -7.572500     -5.561059      4.273028
  C      -6.572666     -4.549637      4.778098
  O      -5.374374     -4.809341      4.828755
  C      -7.072183     -3.196877      5.192602
  C      -8.405812     -2.796657      5.010227
  C      -8.816577     -1.514099      5.361934
  C      -7.882689     -0.632595      5.893675
  F      -8.316354      0.604309      6.231616
  C      -6.541592     -0.989586      6.106848
  C      -5.470886     -0.082671      6.640683
  O      -4.410523     -0.559452      7.025182
  C      -5.686630      1.438701      6.622575
  C      -6.165966     -2.291013      5.750675
  H      -3.083040     -6.529551      1.647605
  H      -4.632624     -5.965193      2.351179
  H      -4.227350     -5.551386      0.670982
  H      -5.715329     -3.911926      1.308494
  H      -6.966729     -1.775177      1.605814
  H      -1.407757      0.392537      3.356198
  H      -1.630390     -0.800471      4.644388
  H      -2.321167     -2.253263      3.316275
  H      -5.762920     11.350449      1.190870
  H      -6.321515     10.027879      0.155354
  H      -4.913712     11.014435     -0.354760
  H      -6.990195      9.701584      2.409643
  H      -7.709318      8.446246      4.442215
  H      -4.110534      6.100091      6.895642
  H      -4.785537      4.957539      5.739068
  H      -3.075994      7.919037      2.727622
  H      -8.374752     -5.731892      5.006131
  H      -7.056091     -6.504079      4.065743
  H      -8.052401     -5.197366      3.350699
  H      -9.138010     -3.483513      4.585444
  H      -9.846718     -1.181367      5.234512
  H      -6.407856      1.692054      7.420736
  H      -6.165602      1.710797      5.673081
  H      -5.129306     -2.593839      5.900734
  N      -3.115952      3.331952      3.872801
  H      -3.364582      2.774861      3.045814
88
Coordinates from ORCA-job orca E -6506.718753532269
  N      -1.710721      1.208679      5.303033
  Mo     -3.018689      2.695849      5.561043
  N      -4.445120      2.153528      6.842388
  C      -3.954577      2.277444      8.221853
  C      -2.507573      1.824230      8.373093
  N      -1.603014      2.626127      7.489890
  C      -0.340929      1.945708      7.140952
  C      -0.668440      0.785136      6.233353
  C      -1.334824      3.983863      8.071601
  C      -1.600112      4.972081      6.959851
  N      -2.819782      4.521281      6.313544
  H       0.235840      0.476397      5.680615
  H      -1.012171     -0.094300      6.810233
  H       0.285532      2.679817      6.615419
  H       0.196919      1.622450      8.049910
  H      -1.715676      5.994615      7.349313
  H      -0.754677      5.005751      6.249506
  H      -2.021211      4.146203      8.911676
  H      -0.306760      4.021200      8.460523
  H      -4.567887      1.648884      8.885296
  H      -4.058336      3.331444      8.538870
  H      -2.453804      0.766492      8.089258
  H      -2.151088      1.926219      9.412160
  C      -3.726119     -5.725782      1.682450
  C      -3.056612     -4.471555      2.171046
  O      -1.873510     -4.450348      2.494426
  C      -3.883060     -3.220424      2.297134
  C      -5.201148     -3.117803      1.829965
  C      -5.934320     -1.944026      2.001802
  C      -5.350635     -0.879720      2.674197
  F      -6.076870      0.236481      2.839071
  C      -4.029192     -0.941300      3.177390
  C      -3.441616      0.134743      3.979410
  O      -4.145135      1.062825      4.441317
  C      -1.974471      0.184211      4.294659
  C      -3.311575     -2.127525      2.949587
  C      -5.452001     10.581216      0.489380
  C      -4.504494      9.636373      1.187828
  O      -3.365911      9.454560      0.768032
  C      -4.979578      8.902840      2.408832
  C      -6.285408      9.038639      2.907495
  C      -6.698242      8.342140      4.039080
  C      -5.782857      7.503631      4.663609
  F      -6.200071      6.845249      5.773262
  C      -4.463073      7.334854      4.207428
  C      -3.427224      6.448459      4.841083
  O      -2.264580      6.495408      4.468437
  C      -3.820590      5.483918      5.980441
  C      -4.081609      8.055578      3.066845
  C      -7.653200     -5.524677      4.216525
  C      -6.638353     -4.532139      4.726898
  O      -5.442820     -4.812924      4.767585
  C      -7.115240     -3.181713      5.169355
  C      -8.445057     -2.760522      5.002136
  C      -8.838888     -1.477274      5.374930
  C      -7.885763     -0.620166      5.913206
  F      -8.296320      0.618367      6.274493
  C      -6.550631     -0.997721      6.113343
  C      -5.461784     -0.105122      6.659275
  O      -4.410090     -0.602956      7.037774
  C      -5.664348      1.415124      6.653616
  C      -6.189214     -2.297442      5.737629
  H      -2.991281     -6.536751      1.645034
  H      -4.548971     -6.008450      2.358855
  H      -4.169147     -5.580083      0.684051
  H      -5.671338     -3.962700      1.325091
  H      -6.955705     -1.847066      1.633291
  H      -1.429398      0.397913      3.352357
  H      -1.621696     -0.800274      4.640432
  H      -2.290650     -2.245977      3.311546
  H      -5.794440     11.369551      1.178881
  H      -6.355112     10.056285      0.138814
  H      -4.944144     11.036396     -0.366863
  H      -6.997126      9.699404      2.410299
  H      -7.704935      8.438566      4.446282
  H      -4.085247      6.115435      6.851455
  H      -4.744651      4.960770      5.695888
  H      -3.064763      7.950133      2.687768
  H      -8.455376     -5.695212      4.951252
  H      -7.152573     -6.472081      3.990965
  H      -8.142554     -5.144824      3.304793
  H      -9.186742     -3.434071      4.571229
  H      -9.866544     -1.132836      5.257151
  H      -6.391235      1.661005      7.452135
  H      -6.155538      1.702282      5.714417
  H      -5.155759     -2.616129      5.876305
  N      -3.263557      3.325995      3.893261
  H      -3.555176      2.792624      3.062701
88
Coordinates from ORCA-job orca E -6506.720919394726
  N      -1.773753      1.284899      5.263817
  Mo     -3.107230      2.725599      5.613875
  N      -4.479168      2.128063      6.924210
  C      -3.953328      2.223774      8.291774
  C      -2.495199      1.782081      8.385935
  N      -1.634273      2.628527      7.503141
  C      -0.369612      1.986989      7.095483
  C      -0.701353      0.852599      6.157432
  C      -1.378604      3.968743      8.125209
  C      -1.669191      4.990914      7.049688
  N      -2.884444      4.533721      6.393497
  H       0.190997      0.577306      5.569154
  H      -1.014654     -0.052331      6.711508
  H       0.223930      2.750838      6.573367
  H       0.202669      1.643144      7.974379
  H      -1.806332      5.996674      7.475596
  H      -0.831937      5.064675      6.334143
  H      -2.059155      4.095063      8.975974
  H      -0.346337      4.011427      8.502885
  H      -4.537935      1.572767      8.959618
  H      -4.059208      3.267066      8.643884
  H      -2.432822      0.736554      8.061885
  H      -2.118234      1.853573      9.420601
  C      -3.731988     -5.629724      1.567110
  C      -3.074477     -4.367218      2.052348
  O      -1.881694     -4.323245      2.334490
  C      -3.925524     -3.139367      2.228150
  C      -5.260065     -3.059932      1.803545
  C      -6.014051     -1.908423      2.026226
  C      -5.436111     -0.846785      2.707215
  F      -6.186813      0.246368      2.917961
  C      -4.098705     -0.886001      3.167854
  C      -3.516117      0.184584      3.980023
  O      -4.228196      1.074366      4.495813
  C      -2.041369      0.274175      4.242308
  C      -3.360456     -2.047312      2.886593
  C      -5.284726     10.487682      0.375964
  C      -4.368977      9.547004      1.121082
  O      -3.222389      9.339534      0.737247
  C      -4.887086      8.855770      2.349466
  C      -6.203090      9.023268      2.810259
  C      -6.651549      8.359614      3.948311
  C      -5.765650      7.524363      4.618556
  F      -6.224883      6.899744      5.731145
  C      -4.436923      7.326827      4.202395
  C      -3.429597      6.443155      4.879796
  O      -2.255546      6.475201      4.544038
  C      -3.869977      5.504521      6.022846
  C      -4.020514      8.014633      3.054040
  C      -7.558585     -5.566991      4.218922
  C      -6.558305     -4.562107      4.735046
  O      -5.355887     -4.813553      4.745663
  C      -7.059766     -3.233403      5.214676
  C      -8.403835     -2.843697      5.084079
  C      -8.820482     -1.578869      5.491298
  C      -7.878681     -0.706927      6.026018
  F      -8.312569      0.512848      6.420084
  C      -6.529144     -1.052889      6.189608
  C      -5.452789     -0.146250      6.727544
  O      -4.381157     -0.623468      7.076675
  C      -5.690476      1.370259      6.756905
  C      -6.146032     -2.336525      5.779673
  H      -2.981445     -6.423270      1.491365
  H      -4.521748     -5.937371      2.271590
  H      -4.212077     -5.480246      0.586989
  H      -5.725941     -3.904557      1.294790
  H      -7.048496     -1.826976      1.692275
  H      -1.532071      0.522160      3.289179
  H      -1.649104     -0.706072      4.557780
  H      -2.325556     -2.149507      3.213786
  H      -5.631577     11.298653      1.035843
  H      -6.184776      9.963789      0.017193
  H      -4.748652     10.913011     -0.478499
  H      -6.893691      9.679046      2.278285
  H      -7.667117      8.478585      4.326244
  H      -4.137476      6.149912      6.882710
  H      -4.798394      4.995998      5.728096
  H      -2.996181      7.884016      2.703458
  H      -8.341145     -5.775003      4.964658
  H      -7.039206     -6.495951      3.961383
  H      -8.071837     -5.176877      3.325066
  H      -9.138016     -3.526953      4.656164
  H      -9.858855     -1.258771      5.403032
  H      -6.398208      1.584329      7.580678
  H      -6.209208      1.663788      5.835058
  H      -5.102204     -2.632014      5.890092
  N      -3.439858      3.400265      3.981718
  H      -3.730171      2.878599      3.144780
88
Coordinates from ORCA-job orca E -6506.723563292989
  N      -1.863865      1.348418      5.218663
  Mo     -3.209433      2.749431      5.642835
  N      -4.521918      2.107277      6.981333
  C      -3.971599      2.172764      8.341126
  C      -2.503534      1.740441      8.385349
  N      -1.686930      2.623742      7.502324
  C      -0.425118      2.016293      7.043477
  C      -0.762494      0.910774      6.075639
  C      -1.438156      3.945831      8.150893
  C      -1.735555      5.000514      7.106136
  N      -2.945941      4.546898      6.433586
  H       0.116087      0.667496      5.453808
  H      -1.047378     -0.017597      6.605163
  H       0.138763      2.805562      6.524959
  H       0.178632      1.651477      7.890445
  H      -1.882845      5.992469      7.563687
  H      -0.906775      5.102571      6.386540
  H      -2.119142      4.046901      9.004688
  H      -0.403937      3.992259      8.524606
  H      -4.534949      1.500723      9.006151
  H      -4.079984      3.201784      8.733292
  H      -2.431446      0.708956      8.021133
  H      -2.114914      1.781112      9.418012
  C      -3.724361     -5.569688      1.495541
  C      -3.083607     -4.292398      1.967810
  O      -1.886266     -4.220415      2.219325
  C      -3.960771     -3.087603      2.168543
  C      -5.305670     -3.038887      1.770173
  C      -6.081684     -1.910215      2.025145
  C      -5.519867     -0.844614      2.712239
  F      -6.303237      0.220956      2.953492
  C      -4.172171     -0.852564      3.144092
  C      -3.603154      0.217996      3.963447
  O      -4.321733      1.066482      4.526068
  C      -2.125740      0.355911      4.179232
  C      -3.411395     -1.989498      2.827617
  C      -5.124655     10.427640      0.290212
  C      -4.243449      9.475221      1.061524
  O      -3.107881      9.209315      0.683653
  C      -4.790524      8.848675      2.312604
  C      -6.098979      9.083198      2.766787
  C      -6.565465      8.469291      3.925832
  C      -5.715503      7.618679      4.623114
  F      -6.204756      7.048836      5.752930
  C      -4.397042      7.356626      4.214704
  C      -3.422888      6.454631      4.909190
  O      -2.246851      6.447075      4.581287
  C      -3.915932      5.543497      6.051079
  C      -3.962307      7.997217      3.046835
  C      -7.434287     -5.631291      4.253388
  C      -6.454743     -4.604021      4.767514
  O      -5.246554     -4.822108      4.762194
  C      -6.988050     -3.294455      5.265317
  C      -8.345019     -2.942300      5.153315
  C      -8.790034     -1.694073      5.576902
  C      -7.869482     -0.798477      6.109438
  F      -8.333640      0.404270      6.517579
  C      -6.506880     -1.106793      6.255129
  C      -5.453319     -0.182364      6.786692
  O      -4.365822     -0.631895      7.125588
  C      -5.725997      1.330264      6.833160
  C      -6.097537     -2.377174      5.827028
  H      -2.959785     -6.347005      1.398069
  H      -4.484409     -5.887679      2.227715
  H      -4.232081     -5.430030      0.529186
  H      -5.760634     -3.888134      1.260188
  H      -7.124491     -1.849654      1.713897
  H      -1.652398      0.644370      3.219430
  H      -1.688502     -0.616294      4.461139
  H      -2.367118     -2.071112      3.133046
  H      -5.433379     11.273947      0.922833
  H      -6.044030      9.923244     -0.044610
  H      -4.575433     10.801534     -0.580110
  H      -6.765259      9.747977      2.216369
  H      -7.574889      8.639351      4.300216
  H      -4.160912      6.195611      6.912887
  H      -4.861417      5.074369      5.752943
  H      -2.943854      7.814855      2.700945
  H      -8.199606     -5.866465      5.007970
  H      -6.892815     -6.543426      3.981663
  H      -7.964637     -5.245535      3.368100
  H      -9.065467     -3.641253      4.728322
  H      -9.837920     -1.402936      5.503391
  H      -6.419133      1.519295      7.673943
  H      -6.263299      1.621931      5.922190
  H      -5.044805     -2.645825      5.923823
  N      -3.631738      3.453667      4.056848
  H      -3.934668      2.976636      3.201782
88
Coordinates from ORCA-job orca E -6506.726381207467
  N      -1.938685      1.405165      5.181980
  Mo     -3.302836      2.768404      5.667579
  N      -4.552097      2.082134      7.036800
  C      -3.976559      2.124742      8.389054
  C      -2.501928      1.708956      8.390239
  N      -1.728325      2.622806      7.504742
  C      -0.470168      2.051691      6.999088
  C      -0.809502      0.971167      6.005677
  C      -1.484542      3.934142      8.167696
  C      -1.788443      5.004523      7.140219
  N      -2.996927      4.557206      6.457356
  H       0.058935      0.760892      5.358083
  H      -1.066141      0.022911      6.514093
  H       0.066272      2.865127      6.488149
  H       0.163782      1.672101      7.816808
  H      -1.941224      5.987101      7.617198
  H      -0.965184      5.126838      6.418384
  H      -2.162393      4.021590      9.025531
  H      -0.448397      3.984600      8.537186
  H      -4.521531      1.433848      9.049492
  H      -4.089345      3.142323      8.808088
  H      -2.422875      0.688583      7.997816
  H      -2.094148      1.727967      9.416703
  C      -3.667903     -5.538306      1.448449
  C      -3.053393     -4.243761      1.910380
  O      -1.853313     -4.136805      2.133523
  C      -3.962034     -3.067256      2.135376
  C      -5.315283     -3.057178      1.762204
  C      -6.119472     -1.955575      2.044588
  C      -5.578752     -0.880964      2.734192
  F      -6.393901      0.155009      3.002643
  C      -4.223262     -0.849182      3.138543
  C      -3.673210      0.229715      3.960654
  O      -4.402506      1.038620      4.559258
  C      -2.195941      0.419849      4.134322
  C      -3.434583     -1.958364      2.793587
  C      -5.011842     10.398705      0.228880
  C      -4.161073      9.424311      1.006858
  O      -3.042926      9.103474      0.620647
  C      -4.716788      8.851891      2.280230
  C      -6.008055      9.151428      2.746229
  C      -6.480340      8.582140      3.925776
  C      -5.657787      7.711951      4.631431
  F      -6.156498      7.189031      5.779841
  C      -4.357733      7.385933      4.211726
  C      -3.412851      6.458770      4.910219
  O      -2.239454      6.407748      4.577189
  C      -3.941101      5.581851      6.062208
  C      -3.916039      7.983778      3.024372
  C      -7.379845     -5.662847      4.247459
  C      -6.409834     -4.627512      4.764513
  O      -5.198544     -4.824591      4.738065
  C      -6.957978     -3.334891      5.289673
  C      -8.322490     -3.003921      5.201757
  C      -8.780935     -1.769547      5.649434
  C      -7.868762     -0.865424      6.181804
  F      -8.346657      0.323919      6.611660
  C      -6.498700     -1.152957      6.304524
  C      -5.453590     -0.221763      6.831566
  O      -4.355284     -0.658651      7.152393
  C      -5.747876      1.286465      6.902551
  C      -6.076662     -2.410924      5.851898
  H      -2.884873     -6.293989      1.330238
  H      -4.400745     -5.875389      2.199895
  H      -4.201946     -5.410850      0.495007
  H      -5.753830     -3.914849      1.252184
  H      -7.169453     -1.924300      1.753620
  H      -1.761030      0.737746      3.165828
  H      -1.715742     -0.539362      4.389714
  H      -2.382426     -2.010594      3.078305
  H      -5.273102     11.271090      0.847076
  H      -5.956622      9.926475     -0.080617
  H      -4.459977     10.729814     -0.657096
  H      -6.654378      9.830634      2.190082
  H      -7.476383      8.803214      4.309374
  H      -4.156850      6.247061      6.921260
  H      -4.904090      5.149589      5.770540
  H      -2.910921      7.751468      2.668956
  H      -8.129142     -5.922143      5.009981
  H      -6.827416     -6.561406      3.953460
  H      -7.928315     -5.271359      3.375942
  H      -9.037582     -3.708525      4.777126
  H      -9.834575     -1.495490      5.594235
  H      -6.426242      1.451462      7.760197
  H      -6.308009      1.583000      6.007360
  H      -5.018285     -2.663912      5.929762
  N      -3.847282      3.473633      4.128559
  H      -4.177692      3.040480      3.262172
88
Coordinates from ORCA-job orca E -6506.729672665192
  N      -1.997471      1.417651      5.144348
  Mo     -3.381418      2.768621      5.636378
  N      -4.574312      2.065687      7.037432
  C      -3.993585      2.102383      8.391935
  C      -2.513628      1.703389      8.377340
  N      -1.767625      2.624977      7.483226
  C      -0.514731      2.071119      6.956386
  C      -0.853201      1.000991      5.954581
  C      -1.524784      3.937691      8.124466
  C      -1.822410      5.000949      7.087019
  N      -3.030158      4.558326      6.401247
  H       0.011996      0.803600      5.298126
  H      -1.092926      0.045582      6.459225
  H       0.006304      2.894083      6.444050
  H       0.139387      1.686847      7.756599
  H      -1.971308      5.985452      7.561311
  H      -1.004080      5.119908      6.359637
  H      -2.201947      4.040793      8.981326
  H      -0.487266      3.997575      8.491229
  H      -4.531998      1.401831      9.046599
  H      -4.116875      3.111413      8.825412
  H      -2.426793      0.688130      7.975149
  H      -2.104166      1.714885      9.404029
  C      -3.566497     -5.610850      1.493273
  C      -2.980956     -4.296368      1.939740
  O      -1.783282     -4.156094      2.155063
  C      -3.920390     -3.142735      2.158034
  C      -5.274834     -3.173025      1.788245
  C      -6.105169     -2.090638      2.066048
  C      -5.592393     -0.996523      2.746342
  F      -6.438264      0.017907      3.008561
  C      -4.237761     -0.922347      3.144211
  C      -3.715411      0.181164      3.952923
  O      -4.458870      0.966944      4.553875
  C      -2.242715      0.418081      4.107643
  C      -3.422295     -2.014387      2.804904
  C      -4.966677     10.520800      0.261535
  C      -4.139425      9.497180      1.001452
  O      -3.054886      9.121097      0.573069
  C      -4.677492      8.951325      2.294427
  C      -5.933488      9.315947      2.811072
  C      -6.384071      8.764831      4.007463
  C      -5.583180      7.850385      4.680247
  F      -6.068693      7.352371      5.845736
  C      -4.319444      7.458146      4.209950
  C      -3.396903      6.479912      4.865041
  O      -2.240134      6.376106      4.487957
  C      -3.942584      5.629737      6.024721
  C      -3.897842      8.040148      3.007676
  C      -7.379927     -5.692186      4.248889
  C      -6.411358     -4.654964      4.765943
  O      -5.199474     -4.845785      4.733937
  C      -6.962901     -3.365654      5.295851
  C      -8.329518     -3.038482      5.213792
  C      -8.787794     -1.806612      5.666527
  C      -7.877922     -0.899833      6.197754
  F      -8.358573      0.287113      6.629725
  C      -6.505786     -1.183101      6.315162
  C      -5.462607     -0.254295      6.835482
  O      -4.360938     -0.687777      7.150732
  C      -5.763435      1.252801      6.912022
  C      -6.085000     -2.439895      5.856680
  H      -2.767534     -6.349850      1.376832
  H      -4.287599     -5.951994      2.254415
  H      -4.108307     -5.504502      0.541737
  H      -5.692196     -4.045414      1.285546
  H      -7.156638     -2.089408      1.777912
  H      -1.830916      0.733892      3.127717
  H      -1.732202     -0.524812      4.364409
  H      -2.368586     -2.035128      3.086717
  H      -5.157090     11.403244      0.891343
  H      -5.945512     10.098344     -0.011982
  H      -4.431836     10.826994     -0.643712
  H      -6.565658     10.029429      2.283016
  H      -7.351925      9.037390      4.429121
  H      -4.098023      6.294854      6.895891
  H      -4.933186      5.254616      5.757992
  H      -2.920408      7.757610      2.612667
  H      -8.123423     -5.954314      5.016056
  H      -6.825670     -6.588320      3.950891
  H      -7.932461     -5.300270      3.380271
  H      -9.044713     -3.743906      4.790409
  H      -9.842797     -1.536269      5.615187
  H      -6.436989      1.406378      7.776122
  H      -6.336260      1.548396      6.024502
  H      -5.025371     -2.691170      5.928088
  N      -4.034089      3.432760      4.135618
  H      -4.411093      3.071606      3.256217
88
Coordinates from ORCA-job orca E -6506.735595280567
  N      -2.071267      1.445639      5.105550
  Mo     -3.479861      2.773370      5.623225
  N      -4.608627      2.040342      7.060174
  C      -4.006813      2.070830      8.409570
  C      -2.521780      1.695036      8.367481
  N      -1.810709      2.631473      7.465319
  C      -0.564212      2.106836      6.902753
  C      -0.902798      1.046613      5.892322
  C      -1.572892      3.945211      8.095669
  C      -1.878708      5.001594      7.053904
  N      -3.089133      4.565295      6.367859
  H      -0.044446      0.871035      5.220369
  H      -1.115484      0.081515      6.391209
  H      -0.067633      2.945325      6.391635
  H       0.116167      1.721577      7.682326
  H      -2.028041      5.984475      7.529222
  H      -1.066313      5.123080      6.320457
  H      -2.242955      4.053014      8.957614
  H      -0.532426      4.015472      8.454090
  H      -4.530166      1.358077      9.062393
  H      -4.139415      3.073122      8.852947
  H      -2.432259      0.684157      7.954420
  H      -2.091143      1.700875      9.385566
  C      -3.477716     -5.647786      1.499455
  C      -2.922765     -4.314449      1.929366
  O      -1.726908     -4.135148      2.122041
  C      -3.895259     -3.190337      2.161733
  C      -5.253317     -3.265004      1.813059
  C      -6.114356     -2.211262      2.102119
  C      -5.628663     -1.099532      2.774361
  F      -6.501383     -0.112469      3.051443
  C      -4.272000     -0.980153      3.150823
  C      -3.775732      0.142840      3.951255
  O      -4.534871      0.896734      4.568534
  C      -2.307067      0.434933      4.074899
  C      -3.424947     -2.045190      2.800326
  C      -4.866050     10.624451      0.268976
  C      -4.069643      9.563785      0.991180
  O      -3.012128      9.140118      0.541859
  C      -4.607844      9.040329      2.293583
  C      -5.837414      9.460156      2.834988
  C      -6.287829      8.928947      4.039223
  C      -5.517437      7.979078      4.697206
  F      -6.002182      7.505320      5.873451
  C      -4.282670      7.529822      4.202710
  C      -3.389865      6.509698      4.837867
  O      -2.244802      6.361785      4.439731
  C      -3.960315      5.679828      5.999241
  C      -3.857755      8.094135      2.992318
  C      -7.360239     -5.734902      4.249487
  C      -6.394862     -4.692169      4.760726
  O      -5.181569     -4.868177      4.708919
  C      -6.952897     -3.413667      5.310555
  C      -8.323915     -3.101040      5.254633
  C      -8.787747     -1.878130      5.725626
  C      -7.880138     -0.965164      6.248832
  F      -8.368690      0.212626      6.698343
  C      -6.503452     -1.233882      6.340501
  C      -5.462227     -0.298394      6.851210
  O      -4.349839     -0.721495      7.142185
  C      -5.784395      1.201886      6.948166
  C      -6.076362     -2.481824      5.864495
  H      -2.659088     -6.362608      1.369637
  H      -4.174242     -6.006525      2.274869
  H      -4.041417     -5.560829      0.558877
  H      -5.649209     -4.150872      1.316715
  H      -7.169528     -2.244767      1.829678
  H      -1.928941      0.758730      3.083573
  H      -1.760111     -0.489727      4.320087
  H      -2.368113     -2.029408      3.066524
  H      -5.005042     11.513746      0.902689
  H      -5.868007     10.245479      0.015919
  H      -4.336944     10.907713     -0.646730
  H      -6.447177     10.202102      2.320898
  H      -7.233649      9.246013      4.479731
  H      -4.078943      6.342748      6.876071
  H      -4.967207      5.350511      5.738121
  H      -2.901345      7.768985      2.579621
  H      -8.088469     -6.009662      5.026619
  H      -6.801114     -6.622513      3.935936
  H      -7.930326     -5.341995      3.393058
  H      -9.038576     -3.810883      4.837781
  H      -9.846424     -1.619405      5.694584
  H      -6.444421      1.334812      7.826611
  H      -6.382443      1.495019      6.076440
  H      -5.012963     -2.721544      5.915005
  N      -4.249375      3.389054      4.169289
  H      -4.681128      3.098052      3.288645
88
Coordinates from ORCA-job orca E -6506.738813666231
  N      -2.139524      1.494177      5.076151
  Mo     -3.560947      2.791261      5.645468
  N      -4.638344      2.020777      7.101884
  C      -4.020316      2.029133      8.442603
  C      -2.536630      1.662066      8.371321
  N      -1.854802      2.618857      7.475073
  C      -0.613809      2.126221      6.873668
  C      -0.953180      1.093077      5.835289
  C      -1.620628      3.924910      8.121497
  C      -1.920271      4.988904      7.087405
  N      -3.131439      4.573547      6.384002
  H      -0.101614      0.948675      5.147735
  H      -1.145508      0.111331      6.309033
  H      -0.135626      2.985777      6.380667
  H       0.086056      1.726166      7.628452
  H      -2.068342      5.967375      7.571043
  H      -1.103133      5.112946      6.359919
  H      -2.293184      4.027245      8.982024
  H      -0.582040      3.993379      8.486121
  H      -4.534312      1.302482      9.087214
  H      -4.153856      3.023193      8.903410
  H      -2.451312      0.658749      7.938408
  H      -2.085233      1.651676      9.380212
  C      -3.439868     -5.609323      1.467905
  C      -2.904754     -4.263739      1.882754
  O      -1.710357     -4.059536      2.058176
  C      -3.897088     -3.159893      2.126549
  C      -5.256048     -3.261073      1.789633
  C      -6.137802     -2.229397      2.093664
  C      -5.670857     -1.113879      2.773068
  F      -6.560449     -0.148072      3.067880
  C      -4.313445     -0.967522      3.136057
  C      -3.835865      0.158942      3.944566
  O      -4.606307      0.872382      4.596030
  C      -2.371973      0.498512      4.031742
  C      -3.445058     -2.008699      2.767790
  C      -4.787269     10.592090      0.213603
  C      -4.021350      9.512077      0.939836
  O      -2.995407      9.031399      0.475367
  C      -4.549112      9.041560      2.266222
  C      -5.745521      9.527095      2.826857
  C      -6.190133      9.043229      4.052471
  C      -5.446725      8.074055      4.713369
  F      -5.922410      7.646532      5.910603
  C      -4.245228      7.559928      4.200442
  C      -3.382287      6.513346      4.835970
  O      -2.252488      6.311610      4.418487
  C      -3.967508      5.714161      6.010573
  C      -3.823975      8.078508      2.967956
  C      -7.299090     -5.781621      4.277161
  C      -6.344447     -4.726536      4.782167
  O      -5.129297     -4.886099      4.720957
  C      -6.916948     -3.456702      5.337650
  C      -8.292518     -3.164876      5.293421
  C      -8.771574     -1.950104      5.770510
  C      -7.874011     -1.024465      6.288376
  F      -8.378708      0.144661      6.744411
  C      -6.492894     -1.271968      6.368022
  C      -5.460476     -0.321860      6.875668
  O      -4.340185     -0.730598      7.156150
  C      -5.805286      1.170999      6.991286
  C      -6.049634     -2.511792      5.886152
  H      -2.609378     -6.308678      1.330498
  H      -4.118713     -5.977192      2.254366
  H      -4.018773     -5.538499      0.535492
  H      -5.636697     -4.151600      1.290286
  H      -7.194057     -2.283386      1.829881
  H      -2.030748      0.850666      3.037250
  H      -1.791874     -0.413601      4.243928
  H      -2.386895     -1.970820      3.025309
  H      -4.869446     11.499774      0.830437
  H      -5.811584     10.254751     -0.005798
  H      -4.270044     10.831039     -0.721103
  H      -6.334581     10.284036      2.310789
  H      -7.109707      9.411416      4.507834
  H      -4.057744      6.386017      6.882758
  H      -4.986360      5.413626      5.756685
  H      -2.893185      7.702714      2.540696
  H      -8.017930     -6.066673      5.059033
  H      -6.730167     -6.661059      3.958819
  H      -7.880678     -5.395829      3.425581
  H      -8.999506     -3.884779      4.881532
  H      -9.834038     -1.707610      5.748770
  H      -6.455549      1.286003      7.879458
  H      -6.417859      1.465541      6.130657
  H      -4.982563     -2.734743      5.927836
  N      -4.416758      3.388641      4.240396
  H      -4.895184      3.177477      3.362249
88
Coordinates from ORCA-job orca E -6506.741580928746
  N      -2.156028      1.520061      5.062133
  Mo     -3.598055      2.791668      5.670765
  N      -4.644532      1.991146      7.148977
  C      -4.011216      1.994330      8.476083
  C      -2.533533      1.644356      8.389436
  N      -1.867054      2.610669      7.493874
  C      -0.625774      2.145708      6.860887
  C      -0.956126      1.122554      5.804775
  C      -1.640045      3.920466      8.145665
  C      -1.941658      4.971934      7.103805
  N      -3.157328      4.578361      6.390257
  H      -0.102638      1.005617      5.114839
  H      -1.128406      0.130508      6.264485
  H      -0.163445      3.022068      6.384930
  H       0.086000      1.744491      7.605783
  H      -2.089127      5.950582      7.580960
  H      -1.114395      5.084385      6.383604
  H      -2.311884      4.023708      9.006057
  H      -0.604337      3.991413      8.515495
  H      -4.512251      1.258420      9.121272
  H      -4.150594      2.989375      8.933325
  H      -2.458673      0.637647      7.959987
  H      -2.052096      1.642590      9.383052
  C      -3.407323     -5.596575      1.450771
  C      -2.885313     -4.244559      1.853696
  O      -1.691083     -4.023853      2.013742
  C      -3.887598     -3.152836      2.114150
  C      -5.248167     -3.266970      1.794589
  C      -6.144462     -2.250989      2.110621
  C      -5.682962     -1.132596      2.791188
  F      -6.568389     -0.173652      3.106510
  C      -4.322741     -0.974341      3.137656
  C      -3.854736      0.156641      3.949965
  O      -4.644162      0.830980      4.630127
  C      -2.393798      0.539481      4.004020
  C      -3.440139     -1.998184      2.756325
  C      -4.747445     10.590128      0.178148
  C      -3.996461      9.505704      0.913206
  O      -2.980164      9.003463      0.449164
  C      -4.523583      9.047841      2.243072
  C      -5.709973      9.554627      2.805434
  C      -6.165296      9.092747      4.033818
  C      -5.432368      8.116794      4.697176
  F      -5.902152      7.699181      5.899063
  C      -4.239938      7.580684      4.183331
  C      -3.388328      6.523916      4.829866
  O      -2.264972      6.293907      4.408066
  C      -3.961256      5.729129      6.012812
  C      -3.805898      8.076973      2.943816
  C      -7.306577     -5.787865      4.259094
  C      -6.350144     -4.736804      4.764886
  O      -5.134863     -4.895133      4.692680
  C      -6.920305     -3.473358      5.337399
  C      -8.294667     -3.183762      5.307546
  C      -8.775099     -1.973954      5.800071
  C      -7.872329     -1.054029      6.318750
  F      -8.377319      0.110583      6.791507
  C      -6.493355     -1.300039      6.384441
  C      -5.454188     -0.342210      6.899992
  O      -4.332576     -0.753229      7.166828
  C      -5.808586      1.143619      7.035582
  C      -6.044395     -2.530897      5.889241
  H      -2.565797     -6.280922      1.304813
  H      -4.071815     -5.984383      2.238707
  H      -4.000501     -5.536514      0.526113
  H      -5.621423     -4.160669      1.295437
  H      -7.202570     -2.316684      1.859150
  H      -2.089776      0.914219      3.006682
  H      -1.790725     -0.364498      4.180142
  H      -2.381254     -1.944871      3.002868
  H      -4.814426     11.502650      0.789568
  H      -5.779253     10.273245     -0.037875
  H      -4.231084     10.813537     -0.760150
  H      -6.288535     10.317781      2.285859
  H      -7.076798      9.476985      4.491062
  H      -4.049437      6.415170      6.872548
  H      -4.982437      5.418415      5.759098
  H      -2.882772      7.684381      2.517368
  H      -8.021856     -6.081653      5.041060
  H      -6.738623     -6.663234      3.928890
  H      -7.897177     -5.397240      3.416192
  H      -9.002981     -3.901005      4.894056
  H      -9.837150     -1.730962      5.790412
  H      -6.450061      1.252424      7.931520
  H      -6.432016      1.441842      6.184409
  H      -4.976946     -2.748676      5.920064
  N      -4.521108      3.353326      4.293760
  H      -5.049540      3.257204      3.421190
88
Coordinates from ORCA-job orca E -6506.744299986584
  N      -2.216467      1.578074      5.032088
  Mo     -3.653301      2.809802      5.707732
  N      -4.652334      1.974789      7.194007
  C      -4.005257      1.945274      8.512425
  C      -2.527084      1.596664      8.390072
  N      -1.896659      2.588421      7.501586
  C      -0.662570      2.158231      6.830015
  C      -1.000935      1.171878      5.742804
  C      -1.677890      3.886819      8.178246
  C      -1.973361      4.961134      7.157290
  N      -3.187598      4.585094      6.423726
  H      -0.158832      1.089505      5.034663
  H      -1.156819      0.161693      6.167646
  H      -0.217607      3.055621      6.375475
  H       0.067907      1.738340      7.542780
  H      -2.119388      5.935191      7.649593
  H      -1.142580      5.082951      6.443255
  H      -2.357110      3.971610      9.035214
  H      -0.645183      3.956656      8.557412
  H      -4.497847      1.194234      9.147068
  H      -4.136990      2.927560      9.001683
  H      -2.448396      0.602561      7.933263
  H      -2.033333      1.573416      9.378441
  C      -3.354279     -5.533581      1.423794
  C      -2.860965     -4.165046      1.808353
  O      -1.669747     -3.916282      1.951190
  C      -3.884867     -3.097466      2.076782
  C      -5.245582     -3.242681      1.769308
  C      -6.160848     -2.248069      2.101707
  C      -5.718345     -1.126185      2.788086
  F      -6.630098     -0.195148      3.117666
  C      -4.357557     -0.936850      3.120605
  C      -3.905808      0.194634      3.942407
  O      -4.693334      0.823164      4.663280
  C      -2.457988      0.626379      3.952540
  C      -3.457673     -1.935788      2.719068
  C      -4.685834     10.499703      0.113988
  C      -3.963360      9.406225      0.862575
  O      -2.976073      8.853252      0.392291
  C      -4.482334      9.002490      2.213495
  C      -5.637219      9.566299      2.783238
  C      -6.085454      9.148708      4.032124
  C      -5.375740      8.161190      4.705340
  F      -5.837598      7.785942      5.923798
  C      -4.213613      7.571550      4.182876
  C      -3.392547      6.502476      4.840482
  O      -2.285451      6.219503      4.408638
  C      -3.983430      5.743304      6.036414
  C      -3.787838      8.023493      2.925337
  C      -7.267859     -5.799369      4.267815
  C      -6.319667     -4.741813      4.777949
  O      -5.103477     -4.889771      4.700785
  C      -6.899875     -3.487826      5.360303
  C      -8.277825     -3.211734      5.333024
  C      -8.769134     -2.009642      5.832397
  C      -7.874474     -1.083571      6.355780
  F      -8.387298      0.074438      6.833899
  C      -6.492212     -1.317039      6.419804
  C      -5.461062     -0.355770      6.938333
  O      -4.337522     -0.761003      7.204782
  C      -5.820124      1.130275      7.086206
  C      -6.033989     -2.541507      5.916542
  H      -2.499643     -6.200547      1.272915
  H      -3.997812     -5.924969      2.228509
  H      -3.960643     -5.497658      0.506627
  H      -5.603533     -4.142068      1.268943
  H      -7.219791     -2.336335      1.860406
  H      -2.198384      1.037821      2.958058
  H      -1.820100     -0.262010      4.086093
  H      -2.395973     -1.860951      2.954954
  H      -4.703885     11.429071      0.702668
  H      -5.732713     10.216916     -0.073754
  H      -4.179349     10.679126     -0.839784
  H      -6.197098     10.337655      2.254379
  H      -6.973829      9.575892      4.496574
  H      -4.053531      6.442196      6.888890
  H      -5.011106      5.452557      5.789045
  H      -2.887236      7.587615      2.491140
  H      -7.978467     -6.105822      5.049361
  H      -6.692710     -6.667615      3.930431
  H      -7.862890     -5.407700      3.428023
  H      -8.979710     -3.933174      4.915592
  H      -9.833657     -1.776869      5.824012
  H      -6.451181      1.228910      7.989983
  H      -6.449240      1.437958      6.243716
  H      -4.963983     -2.749158      5.945222
  N      -4.640090      3.362463      4.383872
  H      -5.208079      3.326776      3.536381
88
Coordinates from ORCA-job orca E -6506.746649507898
  N      -2.255836      1.618031      5.008578
  Mo     -3.691872      2.809561      5.738946
  N      -4.651720      1.947996      7.235952
  C      -3.990262      1.899550      8.545112
  C      -2.511065      1.565737      8.391641
  N      -1.915758      2.577243      7.502124
  C      -0.686780      2.178770      6.800862
  C      -1.027759      1.211039      5.697558
  C      -1.712387      3.872565      8.187664
  C      -2.009614      4.957154      7.177564
  N      -3.221391      4.589610      6.435079
  H      -0.192428      1.155995      4.978894
  H      -1.166738      0.189737      6.101629
  H      -0.259372      3.091143      6.359767
  H       0.059643      1.753455      7.493121
  H      -2.157745      5.927530      7.677209
  H      -1.178174      5.085487      6.465587
  H      -2.398182      3.943216      9.040577
  H      -0.682989      3.949683      8.574928
  H      -4.467966      1.135255      9.175119
  H      -4.119630      2.871257      9.055711
  H      -2.426781      0.578968      7.920643
  H      -1.999634      1.538285      9.371014
  C      -3.307596     -5.508568      1.414698
  C      -2.834176     -4.128414      1.783356
  O      -1.645251     -3.859209      1.910388
  C      -3.872766     -3.078080      2.058429
  C      -5.232647     -3.245906      1.760454
  C      -6.161688     -2.267399      2.103403
  C      -5.733023     -1.142262      2.792777
  F      -6.660554     -0.229917      3.133269
  C      -4.373171     -0.930107      3.115542
  C      -3.937331      0.204078      3.944769
  O      -4.723524      0.782179      4.705087
  C      -2.505789      0.691573      3.910349
  C      -3.460177     -1.910685      2.700914
  C      -4.631925     10.484610      0.085332
  C      -3.934421      9.374552      0.832440
  O      -2.969349      8.789409      0.354432
  C      -4.449936      8.994241      2.191728
  C      -5.580603      9.595349      2.770216
  C      -6.027366      9.199129      4.027292
  C      -5.338519      8.195712      4.698826
  F      -5.796478      7.839355      5.924120
  C      -4.199693      7.569786      4.167115
  C      -3.404813      6.485124      4.826953
  O      -2.311581      6.162230      4.385741
  C      -4.004314      5.753452      6.036008
  C      -3.775783      7.999752      2.901912
  C      -7.259733     -5.805281      4.264749
  C      -6.314263     -4.749303      4.784435
  O      -5.097774     -4.894981      4.706863
  C      -6.897195     -3.501041      5.375498
  C      -8.275898     -3.227249      5.347563
  C      -8.770321     -2.029418      5.854048
  C      -7.877630     -1.105537      6.385224
  F      -8.390747      0.049393      6.870478
  C      -6.495425     -1.337920      6.450785
  C      -5.467293     -0.379584      6.978310
  O      -4.345328     -0.786691      7.246761
  C      -5.825004      1.107829      7.134013
  C      -6.034139     -2.557915      5.939719
  H      -2.443373     -6.162093      1.259401
  H      -3.934293     -5.903804      2.231097
  H      -3.924892     -5.491565      0.504260
  H      -5.578992     -4.149734      1.259700
  H      -7.220892     -2.371973      1.869731
  H      -2.298507      1.136887      2.918519
  H      -1.833848     -0.177513      3.995800
  H      -2.397821     -1.819873      2.928341
  H      -4.614430     11.417243      0.669146
  H      -5.688967     10.232704     -0.088886
  H      -4.131355     10.643390     -0.875237
  H      -6.123358     10.379379      2.242080
  H      -6.897738      9.654195      4.499403
  H      -4.063706      6.466305      6.877878
  H      -5.035071      5.472558      5.794459
  H      -2.892929      7.535379      2.460682
  H      -7.972288     -6.119426      5.041462
  H      -6.682286     -6.670080      3.922285
  H      -7.852726     -5.408152      3.425870
  H      -8.975871     -3.946777      4.923501
  H      -9.835145     -1.797752      5.845172
  H      -6.448698      1.203759      8.043057
  H      -6.457312      1.420547      6.296018
  H      -4.963495     -2.762954      5.968682
  N      -4.737657      3.333520      4.453151
  H      -5.349048      3.368759      3.636888
88
Coordinates from ORCA-job orca E -6506.749038442304
  N      -2.269187      1.647756      4.999268
  Mo     -3.696092      2.802654      5.783403
  N      -4.636410      1.924898      7.285009
  C      -3.966575      1.858294      8.588518
  C      -2.485995      1.539867      8.404132
  N      -1.921069      2.568040      7.508773
  C      -0.695048      2.191504      6.787962
  C      -1.036446      1.235876      5.674873
  C      -1.733228      3.862563      8.197228
  C      -2.032770      4.958981      7.200105
  N      -3.242005      4.594483      6.457185
  H      -0.203209      1.202743      4.952135
  H      -1.165289      0.206461      6.062110
  H      -0.277781      3.113189      6.357278
  H       0.060295      1.762834      7.467835
  H      -2.181585      5.924917      7.709682
  H      -1.202366      5.097393      6.488210
  H      -2.426791      3.919579      9.044864
  H      -0.707120      3.946293      8.592747
  H      -4.429215      1.081576      9.214127
  H      -4.091460      2.818876      9.121062
  H      -2.393680      0.559760      7.921845
  H      -1.958169      1.513265      9.375030
  C      -3.290675     -5.486930      1.404346
  C      -2.824516     -4.101224      1.764199
  O      -1.635391     -3.826408      1.884473
  C      -3.867031     -3.057208      2.041955
  C      -5.225891     -3.231869      1.743667
  C      -6.158763     -2.258126      2.092918
  C      -5.734729     -1.135918      2.789263
  F      -6.671052     -0.232253      3.135389
  C      -4.376140     -0.916929      3.112244
  C      -3.949874      0.214135      3.954449
  O      -4.728680      0.744516      4.748122
  C      -2.537291      0.748946      3.882989
  C      -3.459976     -1.889725      2.689464
  C      -4.607212     10.449878      0.054870
  C      -3.924905      9.332071      0.803716
  O      -2.973542      8.727084      0.321672
  C      -4.439750      8.965322      2.167556
  C      -5.556040      9.587817      2.748952
  C      -6.003164      9.205156      4.011326
  C      -5.326397      8.194002      4.683285
  F      -5.784283      7.850045      5.911745
  C      -4.199888      7.546929      4.147718
  C      -3.422444      6.457823      4.814809
  O      -2.341853      6.102259      4.364738
  C      -4.021960      5.753488      6.041191
  C      -3.777524      7.962300      2.878252
  C      -7.256869     -5.790983      4.244263
  C      -6.313610     -4.742529      4.784869
  O      -5.096740     -4.892894      4.718564
  C      -6.897276     -3.497467      5.381156
  C      -8.275223     -3.217607      5.339787
  C      -8.770448     -2.021763      5.850115
  C      -7.878924     -1.106201      6.398550
  F      -8.388122      0.048758      6.886655
  C      -6.498804     -1.345973      6.478714
  C      -5.473465     -0.397622      7.024042
  O      -4.358303     -0.813547      7.305436
  C      -5.819995      1.095128      7.182045
  C      -6.037209     -2.564088      5.962750
  H      -2.423448     -6.136964      1.249769
  H      -3.912003     -5.880478      2.226478
  H      -3.910995     -5.480242      0.495313
  H      -5.567957     -4.135273      1.238386
  H      -7.217993     -2.366369      1.859418
  H      -2.384402      1.227007      2.896728
  H      -1.837502     -0.102101      3.916611
  H      -2.397106     -1.796594      2.916101
  H      -4.569744     11.385152      0.634587
  H      -5.669756     10.216087     -0.112921
  H      -4.109131     10.595728     -0.909285
  H      -6.088054     10.378357      2.219001
  H      -6.863843      9.676283      4.486252
  H      -4.076820      6.485269      6.867658
  H      -5.053556      5.471420      5.810193
  H      -2.904858      7.481372      2.433786
  H      -7.981116     -6.110752      5.008202
  H      -6.678478     -6.655012      3.900646
  H      -7.837599     -5.383765      3.401006
  H      -8.973359     -3.930814      4.901181
  H      -9.834364     -1.784883      5.830476
  H      -6.444681      1.193346      8.090104
  H      -6.444754      1.415643      6.341367
  H      -4.967219     -2.773155      6.001413
  N      -4.778019      3.315724      4.524560
  H      -5.420455      3.437299      3.741077
88
Coordinates from ORCA-job orca E -6506.751302840557
  N      -2.294183      1.673476      4.992287
  Mo     -3.716200      2.789838      5.829649
  N      -4.626748      1.894053      7.342759
  C      -3.937589      1.816046      8.635218
  C      -2.457350      1.525587      8.416479
  N      -1.931078      2.569671      7.512177
  C      -0.709889      2.217137      6.768204
  C      -1.049753      1.266355      5.649265
  C      -1.757488      3.864627      8.201922
  C      -2.066853      4.962814      7.212554
  N      -3.276008      4.598548      6.473713
  H      -0.222137      1.255153      4.919030
  H      -1.159484      0.230924      6.025738
  H      -0.310038      3.148382      6.342857
  H       0.059365      1.792291      7.436344
  H      -2.217804      5.923153      7.729900
  H      -1.239367      5.110793      6.497856
  H      -2.454299      3.913202      9.047146
  H      -0.733088      3.957078      8.600791
  H      -4.377790      1.025180      9.258351
  H      -4.064410      2.766511      9.184096
  H      -2.359067      0.550315      7.925548
  H      -1.903421      1.506382      9.372274
  C      -3.254039     -5.476003      1.385102
  C      -2.801512     -4.084641      1.742404
  O      -1.614619     -3.794073      1.847494
  C      -3.854403     -3.055250      2.035982
  C      -5.213370     -3.245894      1.748918
  C      -6.155700     -2.287086      2.113184
  C      -5.740036     -1.164146      2.813760
  F      -6.682492     -0.273241      3.177177
  C      -4.382690     -0.928409      3.124297
  C      -3.969595      0.203378      3.976186
  O      -4.742365      0.684934      4.804944
  C      -2.579408      0.796067      3.862861
  C      -3.456747     -1.885237      2.687035
  C      -4.571432     10.420996      0.018842
  C      -3.909654      9.292336      0.770389
  O      -2.976324      8.662034      0.286282
  C      -4.421768      8.947959      2.141360
  C      -5.519397      9.600650      2.726575
  C      -5.966002      9.239099      3.994595
  C      -5.307931      8.218722      4.670002
  F      -5.767255      7.895488      5.903545
  C      -4.199341      7.541050      4.132057
  C      -3.440577      6.440477      4.803525
  O      -2.373422      6.055498      4.344493
  C      -4.040602      5.760858      6.044934
  C      -3.776792      7.935631      2.855407
  C      -7.264004     -5.756834      4.183614
  C      -6.320426     -4.722134      4.749309
  O      -5.103472     -4.872117      4.681962
  C      -6.902938     -3.489164      5.371411
  C      -8.279825     -3.204475      5.332742
  C      -8.772954     -2.017475      5.865664
  C      -7.879940     -1.115539      6.433615
  F      -8.386413      0.032461      6.941649
  C      -6.501392     -1.361457      6.512908
  C      -5.474559     -0.425005      7.075341
  O      -4.362791     -0.849294      7.358227
  C      -5.814852      1.067848      7.244982
  C      -6.041322     -2.570310      5.974395
  H      -2.379422     -6.113278      1.219064
  H      -3.860685     -5.881386      2.211983
  H      -3.884740     -5.476512      0.483122
  H      -5.547827     -4.150435      1.240609
  H      -7.215668     -2.407272      1.888651
  H      -2.491017      1.305980      2.884650
  H      -1.848381     -0.028345      3.838260
  H      -2.393595     -1.779849      2.904892
  H      -4.507361     11.359376      0.591569
  H      -5.640855     10.212105     -0.139180
  H      -4.077953     10.548218     -0.950045
  H      -6.037428     10.398743      2.194345
  H      -6.812633      9.733354      4.471560
  H      -4.082947      6.506099      6.858900
  H      -5.076996      5.485393      5.824674
  H      -2.918910      7.431152      2.408721
  H      -7.991918     -6.091746      4.937520
  H      -6.685837     -6.614115      3.823292
  H      -7.840985     -5.330636      3.347200
  H      -8.978783     -3.906673      4.877763
  H      -9.836024     -1.776500      5.847957
  H      -6.433434      1.164290      8.157568
  H      -6.442168      1.393265      6.408098
  H      -4.971966     -2.782229      6.010517
  N      -4.842238      3.276026      4.599674
  H      -5.515552      3.482243      3.859053
88
Coordinates from ORCA-job orca E -6506.753382857216
  N      -2.318262      1.693677      4.987291
  Mo     -3.729173      2.778515      5.876797
  N      -4.624960      1.871899      7.393802
  C      -3.919307      1.779254      8.676362
  C      -2.440603      1.516123      8.425886
  N      -1.946521      2.572813      7.512490
  C      -0.728873      2.231897      6.753487
  C      -1.068994      1.283664      5.631449
  C      -1.776304      3.867330      8.203848
  C      -2.094349      4.968022      7.221762
  N      -3.307708      4.603399      6.493830
  H      -0.244636      1.285289      4.897372
  H      -1.168603      0.244720      6.000182
  H      -0.338312      3.168071      6.330885
  H       0.047626      1.809086      7.414766
  H      -2.241782      5.923455      7.748820
  H      -1.271662      5.124971      6.502112
  H      -2.472722      3.911885      9.049435
  H      -0.751711      3.961778      8.601706
  H      -4.338431      0.971472      9.291554
  H      -4.050727      2.717543      9.244342
  H      -2.337263      0.545471      7.926409
  H      -1.862477      1.503812      9.366775
  C      -3.257109     -5.461766      1.363048
  C      -2.805778     -4.070578      1.723897
  O      -1.619307     -3.778775      1.829134
  C      -3.860226     -3.043640      2.020504
  C      -5.218119     -3.233877      1.727105
  C      -6.163061     -2.279344      2.095733
  C      -5.751081     -1.162052      2.807555
  F      -6.693586     -0.274168      3.179628
  C      -4.395904     -0.926325      3.122371
  C      -3.992001      0.198549      3.990853
  O      -4.755618      0.636640      4.849678
  C      -2.623861      0.838399      3.846701
  C      -3.466215     -1.877122      2.681184
  C      -4.528876     10.398772     -0.007878
  C      -3.886533      9.260472      0.746432
  O      -2.965739      8.611677      0.263429
  C      -4.402388      8.930212      2.119492
  C      -5.487768      9.604253      2.704731
  C      -5.937902      9.255258      3.974486
  C      -5.296701      8.226633      4.652865
  F      -5.761741      7.916400      5.887737
  C      -4.200575      7.527421      4.116112
  C      -3.458806      6.416650      4.791360
  O      -2.404867      6.004980      4.325522
  C      -4.058392      5.765610      6.048448
  C      -3.774022      7.909435      2.836546
  C      -7.228989     -5.745754      4.162460
  C      -6.293481     -4.715851      4.749046
  O      -5.075460     -4.861486      4.691737
  C      -6.884957     -3.491112      5.379079
  C      -8.261689     -3.207884      5.329224
  C      -8.761705     -2.026531      5.868156
  C      -7.875936     -1.128913      6.453749
  F      -8.389376      0.015179      6.964060
  C      -6.498466     -1.374417      6.546583
  C      -5.477900     -0.442469      7.126851
  O      -4.369511     -0.868801      7.421322
  C      -5.816270      1.050353      7.297376
  C      -6.030988     -2.577190      6.000914
  H      -2.381377     -6.097604      1.197463
  H      -3.865968     -5.870391      2.186244
  H      -3.885542     -5.461184      0.459477
  H      -5.549383     -4.134641      1.210320
  H      -7.222042     -2.399307      1.866442
  H      -2.597511      1.380807      2.882546
  H      -1.867373      0.041392      3.761658
  H      -2.404263     -1.771983      2.905001
  H      -4.447617     11.338021      0.561156
  H      -5.602150     10.209251     -0.164397
  H      -4.034179     10.513818     -0.977591
  H      -5.992924     10.409101      2.170430
  H      -6.775400      9.766121      4.450011
  H      -4.086853      6.526784      6.847892
  H      -5.100502      5.497635      5.841412
  H      -2.926163      7.388197      2.390229
  H      -7.964272     -6.090158      4.904844
  H      -6.645265     -6.597773      3.798762
  H      -7.797999     -5.311725      3.324712
  H      -8.954481     -3.906527      4.859628
  H      -9.824736     -1.786494      5.840604
  H      -6.434213      1.148565      8.210351
  H      -6.441076      1.377017      6.459273
  H      -4.961849     -2.787857      6.045353
  N      -4.886830      3.255280      4.670240
  H      -5.575743      3.543148      3.971091
88
Coordinates from ORCA-job orca E -6506.755165675876
  N      -2.351357      1.721419      4.983154
  Mo     -3.750149      2.770911      5.929917
  N      -4.618591      1.847755      7.450860
  C      -3.889532      1.738269      8.719477
  C      -2.414365      1.505575      8.433137
  N      -1.960257      2.577636      7.514467
  C      -0.748161      2.251387      6.736024
  C      -1.094262      1.308311      5.609509
  C      -1.790268      3.868612      8.215538
  C      -2.120769      4.973566      7.242563
  N      -3.340792      4.607186      6.524264
  H      -0.277579      1.322068      4.867121
  H      -1.182234      0.265451      5.969607
  H      -0.369735      3.193590      6.315735
  H       0.038153      1.829827      7.385701
  H      -2.267015      5.923293      7.781071
  H      -1.304575      5.142122      6.517951
  H      -2.484082      3.905549      9.063895
  H      -0.764618      3.963003      8.610094
  H      -4.283863      0.909512      9.322403
  H      -4.028611      2.661821      9.310397
  H      -2.307091      0.541417      7.921292
  H      -1.809230      1.496835      9.356533
  C      -3.229505     -5.431872      1.332656
  C      -2.789707     -4.038645      1.700067
  O      -1.606167     -3.735196      1.801557
  C      -3.853530     -3.024696      2.008684
  C      -5.210460     -3.225607      1.716483
  C      -6.164759     -2.285054      2.096411
  C      -5.762109     -1.170323      2.817628
  F      -6.709917     -0.294885      3.205750
  C      -4.408678     -0.923535      3.128140
  C      -4.016308      0.195903      4.009944
  O      -4.769055      0.589038      4.899569
  C      -2.674492      0.887484      3.833207
  C      -3.469351     -1.859940      2.678218
  C      -4.488685     10.342264     -0.048375
  C      -3.865537      9.199107      0.714927
  O      -2.959204      8.527853      0.235880
  C      -4.383997      8.892671      2.092454
  C      -5.455276      9.592864      2.674292
  C      -5.907145      9.263902      3.948317
  C      -5.283650      8.230227      4.635683
  F      -5.753170      7.940873      5.874180
  C      -4.202628      7.505632      4.103482
  C      -3.477177      6.386450      4.785362
  O      -2.439988      5.943910      4.312110
  C      -4.077205      5.769890      6.058830
  C      -3.773711      7.867802      2.818470
  C      -7.219336     -5.708720      4.111410
  C      -6.286086     -4.689857      4.719704
  O      -5.067770     -4.831530      4.660970
  C      -6.881142     -3.479380      5.374216
  C      -8.257934     -3.196703      5.327254
  C      -8.759675     -2.025862      5.886922
  C      -7.876212     -1.137979      6.490295
  F      -8.392522     -0.002309      7.016478
  C      -6.499044     -1.384359      6.582966
  C      -5.478807     -0.461501      7.177725
  O      -4.372215     -0.893555      7.471641
  C      -5.812765      1.030369      7.362034
  C      -6.029705     -2.576359      6.015822
  H      -2.348209     -6.058440      1.161221
  H      -3.833942     -5.850989      2.153763
  H      -3.859448     -5.431234      0.430232
  H      -5.533689     -4.124677      1.191888
  H      -7.222938     -2.414539      1.868616
  H      -2.714007      1.461765      2.888102
  H      -1.892570      0.125129      3.685882
  H      -2.408345     -1.744705      2.902467
  H      -4.388682     11.285515      0.510583
  H      -5.565649     10.171012     -0.200115
  H      -3.994469     10.438391     -1.020471
  H      -5.947113     10.401738      2.133662
  H      -6.734025      9.795226      4.419915
  H      -4.089221      6.546950      6.843259
  H      -5.125623      5.513793      5.864526
  H      -2.937290      7.326070      2.374894
  H      -7.954685     -6.068493      4.846369
  H      -6.633931     -6.552467      3.731427
  H      -7.787903     -5.258826      3.281901
  H      -8.948818     -3.887084      4.842980
  H      -9.822807     -1.786327      5.860630
  H      -6.421387      1.124573      8.281879
  H      -6.443862      1.364525      6.531921
  H      -4.960489     -2.786938      6.057402
  N      -4.944585      3.236285      4.755701
  H      -5.645073      3.592740      4.101031
88
Coordinates from ORCA-job orca E -6506.756631323143
  N      -2.399695      1.759139      4.978864
  Mo     -3.783624      2.770960      5.982863
  N      -4.622469      1.827917      7.503489
  C      -3.868675      1.699274      8.756705
  C      -2.398102      1.493717      8.435718
  N      -1.981397      2.581671      7.516737
  C      -0.776747      2.270028      6.717304
  C      -1.135759      1.336120      5.585600
  C      -1.807803      3.866064      8.231693
  C      -2.153348      4.978652      7.271819
  N      -3.381828      4.613439      6.564514
  H      -0.328688      1.358451      4.833239
  H      -1.217534      0.289429      5.935540
  H      -0.409002      3.217873      6.300365
  H       0.018941      1.846218      7.353008
  H      -2.298121      5.922312      7.822215
  H      -1.345625      5.159009      6.540885
  H      -2.495727      3.890964      9.085405
  H      -0.779736      3.958125      8.619118
  H      -4.238849      0.848174      9.343197
  H      -4.014329      2.605573      9.372684
  H      -2.289803      0.536843      7.909913
  H      -1.767867      1.484141      9.341829
  C      -3.217006     -5.378502      1.286513
  C      -2.788062     -3.984832      1.664636
  O      -1.607310     -3.671402      1.765161
  C      -3.860418     -2.982532      1.982270
  C      -5.215302     -3.190994      1.686280
  C      -6.178895     -2.263838      2.075815
  C      -5.786559     -1.154742      2.811201
  F      -6.740028     -0.291816      3.212893
  C      -4.435108     -0.900145      3.122936
  C      -4.052633      0.208646      4.022229
  O      -4.791525      0.555425      4.942368
  C      -2.740115      0.951528      3.817008
  C      -3.486252     -1.821775      2.664120
  C      -4.423720     10.266973     -0.095917
  C      -3.829299      9.117762      0.681008
  O      -2.941313      8.417215      0.209860
  C      -4.352667      8.844457      2.063485
  C      -5.405042      9.579495      2.637424
  C      -5.861165      9.279095      3.916783
  C      -5.261995      8.240014      4.618135
  F      -5.736282      7.980436      5.861574
  C      -4.201174      7.481662      4.094356
  C      -3.498969      6.353400      4.787458
  O      -2.479655      5.874779      4.311520
  C      -4.101097      5.778076      6.078432
  C      -3.767260      7.815657      2.803193
  C      -7.178572     -5.697319      4.091431
  C      -6.252186     -4.682198      4.716005
  O      -5.033136     -4.815020      4.656711
  C      -6.856646     -3.485521      5.387230
  C      -8.235131     -3.211063      5.341695
  C      -8.744709     -2.050608      5.915436
  C      -7.867877     -1.164789      6.531260
  F      -8.391912     -0.037498      7.068170
  C      -6.489846     -1.404394      6.624420
  C      -5.475899     -0.481951      7.230116
  O      -4.368609     -0.911594      7.524859
  C      -5.815054      1.008035      7.423812
  C      -6.012369     -2.585778      6.042690
  H      -2.331057     -5.997363      1.111568
  H      -3.820123     -5.807533      2.103118
  H      -3.845293     -5.374800      0.383110
  H      -5.530281     -4.086394      1.150739
  H      -7.235341     -2.400672      1.844845
  H      -2.847771      1.560195      2.899189
  H      -1.936430      0.229209      3.603348
  H      -2.427169     -1.697924      2.892550
  H      -4.299154     11.214312      0.450590
  H      -5.504660     10.120632     -0.244240
  H      -3.928408     10.337852     -1.069609
  H      -5.877762     10.392640      2.086584
  H      -6.673571      9.837643      4.381766
  H      -4.093832      6.571897      6.846081
  H      -5.155710      5.538084      5.896652
  H      -2.945624      7.247009      2.365796
  H      -7.912309     -6.071749      4.820462
  H      -6.587877     -6.531985      3.699908
  H      -7.748507     -5.238382      3.268071
  H      -8.920736     -3.899247      4.847266
  H      -9.809123     -1.817337      5.889680
  H      -6.413645      1.096282      8.350931
  H      -6.455284      1.344657      6.601891
  H      -4.942015     -2.790332      6.082673
  N      -5.016729      3.227403      4.843888
  H      -5.727374      3.629953      4.227598
88
Coordinates from ORCA-job orca E -6506.757797495129
  N      -2.444175      1.806226      4.980429
  Mo     -3.815237      2.773961      6.041580
  N      -4.615511      1.803428      7.561085
  C      -3.834734      1.658288      8.797539
  C      -2.369095      1.483426      8.441203
  N      -1.992628      2.589424      7.525188
  C      -0.797287      2.297434      6.701425
  C      -1.172156      1.374425      5.564477
  C      -1.818443      3.865917      8.257092
  C      -2.186556      4.987858      7.315877
  N      -3.422669      4.619197      6.620242
  H      -0.377075      1.406216      4.799872
  H      -1.246436      0.323650      5.903544
  H      -0.443587      3.252398      6.288770
  H       0.010247      1.871392      7.319609
  H      -2.335648      5.922758      7.880675
  H      -1.389760      5.186394      6.578048
  H      -2.498343      3.872649      9.117740
  H      -0.787166      3.958354      8.634806
  H      -4.177319      0.784262      9.366381
  H      -3.987559      2.545844      9.438783
  H      -2.258294      0.534779      7.900766
  H      -1.715255      1.472659      9.330266
  C      -3.171102     -5.308157      1.230952
  C      -2.761554     -3.911577      1.619598
  O      -1.585451     -3.579592      1.714142
  C      -3.847805     -2.931075      1.957562
  C      -5.201005     -3.157698      1.667875
  C      -6.177905     -2.252268      2.075558
  C      -5.798821     -1.146188      2.822262
  F      -6.762291     -0.304785      3.245693
  C      -4.449422     -0.873059      3.125466
  C      -4.078218      0.227957      4.038487
  O      -4.801767      0.527537      4.986377
  C      -2.800267      1.024968      3.807006
  C      -3.487717     -1.772426      2.650577
  C      -4.370763     10.149865     -0.156437
  C      -3.803538      9.000403      0.640187
  O      -2.938037      8.266170      0.178473
  C      -4.328629      8.768077      2.029453
  C      -5.359245      9.541508      2.592638
  C      -5.817247      9.277032      3.879302
  C      -5.242116      8.236615      4.599185
  F      -5.718984      8.013344      5.848744
  C      -4.203721      7.441468      4.086614
  C      -3.525165      6.308778      4.796271
  O      -2.529388      5.786936      4.316325
  C      -4.126243      5.782526      6.108013
  C      -3.767790      7.739364      2.787245
  C      -7.186382     -5.654887      4.036856
  C      -6.256775     -4.652980      4.678149
  O      -5.038070     -4.780979      4.604911
  C      -6.859064     -3.475388      5.384516
  C      -8.238838     -3.204283      5.357638
  C      -8.746155     -2.058565      5.961944
  C      -7.866148     -1.183631      6.588720
  F      -8.388048     -0.068722      7.152883
  C      -6.486810     -1.421466      6.664850
  C      -5.469132     -0.507344      7.276618
  O      -4.359872     -0.940965      7.557161
  C      -5.807081      0.980691      7.493443
  C      -6.011788     -2.588399      6.052965
  H      -2.277165     -5.912656      1.046736
  H      -3.765814     -5.752596      2.045611
  H      -3.802418     -5.304211      0.329640
  H      -5.504867     -4.051179      1.122727
  H      -7.233270     -2.404932      1.849559
  H      -2.978759      1.663882      2.921256
  H      -1.977777      0.348353      3.526813
  H      -2.429740     -1.630752      2.874684
  H      -4.219440     11.103913      0.371167
  H      -5.455714     10.028113     -0.297647
  H      -3.877903     10.188892     -1.133209
  H      -5.812800     10.355884      2.027746
  H      -6.613451      9.865186      4.335752
  H      -4.098993      6.596118      6.854299
  H      -5.187011      5.558023      5.940694
  H      -2.962918      7.141201      2.358074
  H      -7.911568     -6.049537      4.763790
  H      -6.597438     -6.477842      3.618760
  H      -7.765552     -5.176808      3.231078
  H      -8.927018     -3.883099      4.853982
  H      -9.811433     -1.828020      5.950656
  H      -6.389430      1.056990      8.432003
  H      -6.462001      1.326541      6.687206
  H      -4.940482     -2.790704      6.077525
  N      -5.087438      3.222761      4.943178
  H      -5.808926      3.649221      4.356039
88
Coordinates from ORCA-job orca E -6506.758768088145
  N      -2.498219      1.849431      4.982068
  Mo     -3.856670      2.781642      6.087558
  N      -4.621291      1.786912      7.606554
  C      -3.820468      1.628392      8.829781
  C      -2.359471      1.475124      8.447805
  N      -2.011637      2.592523      7.533957
  C      -0.827391      2.312620      6.687400
  C      -1.223475      1.400352      5.547501
  C      -1.834735      3.862912      8.277489
  C      -2.220816      4.992619      7.352848
  N      -3.464496      4.627487      6.666385
  H      -0.438459      1.431840      4.772717
  H      -1.300827      0.347605      5.879710
  H      -0.482518      3.271875      6.277569
  H      -0.010687      1.881153      7.288950
  H      -2.370465      5.921173      7.928060
  H      -1.433059      5.201711      6.608209
  H      -2.506866      3.855062      9.144312
  H      -0.800393      3.955221      8.645885
  H      -4.142441      0.736338      9.382456
  H      -3.977607      2.499942      9.491092
  H      -2.248107      0.531298      7.898885
  H      -1.689216      1.463861      9.324416
  C      -3.151084     -5.237140      1.172246
  C      -2.756429     -3.841680      1.579802
  O      -1.583822     -3.497773      1.676042
  C      -3.852823     -2.876560      1.928669
  C      -5.202960     -3.112452      1.633770
  C      -6.190018     -2.221800      2.050304
  C      -5.823112     -1.121593      2.811510
  F      -6.794550     -0.293406      3.242874
  C      -4.476896     -0.838774      3.118784
  C      -4.115907      0.253139      4.047216
  O      -4.824928      0.510087      5.018557
  C      -2.871144      1.098249      3.796293
  C      -3.504993     -1.722195      2.635434
  C      -4.309327     10.053002     -0.209387
  C      -3.778957      8.895540      0.600755
  O      -2.944977      8.122533      0.144098
  C      -4.297600      8.707055      1.998935
  C      -5.294438      9.526526      2.557434
  C      -5.749548      9.300296      3.852493
  C      -5.204421      8.252743      4.585618
  F      -5.678012      8.067338      5.842482
  C      -4.198989      7.413171      4.078175
  C      -3.551662      6.270464      4.800192
  O      -2.582624      5.703050      4.316409
  C      -4.147265      5.793801      6.132756
  C      -3.765906      7.672905      2.769685
  C      -7.149589     -5.647958      4.022390
  C      -6.224788     -4.649113      4.675719
  O      -5.005607     -4.768015      4.597273
  C      -6.833294     -3.485533      5.399462
  C      -8.215401     -3.224944      5.381361
  C      -8.729195     -2.091451      6.002860
  C      -7.853138     -1.217648      6.636850
  F      -8.380755     -0.114096      7.218390
  C      -6.471781     -1.445446      6.703641
  C      -5.459065     -0.529238      7.320846
  O      -4.346566     -0.957112      7.596381
  C      -5.807277      0.955460      7.548782
  C      -5.990113     -2.600690      6.075440
  H      -2.251288     -5.831606      0.984526
  H      -3.745909     -5.696578      1.978083
  H      -3.777939     -5.226587      0.267873
  H      -5.497138     -4.001512      1.076359
  H      -7.242992     -2.382095      1.818900
  H      -3.114467      1.764019      2.946403
  H      -2.037694      0.466125      3.453366
  H      -2.449313     -1.569989      2.863556
  H      -4.118170     11.008598      0.302081
  H      -5.399144      9.969067     -0.339853
  H      -3.823970     10.058407     -1.190588
  H      -5.724060     10.346469      1.982180
  H      -6.520677      9.923222      4.305633
  H      -4.094121      6.625489      6.857307
  H      -5.215040      5.589563      5.981996
  H      -2.986607      7.039603      2.344003
  H      -7.869802     -6.058057      4.745568
  H      -6.556649     -6.460821      3.590598
  H      -7.734287     -5.161626      3.225730
  H      -8.900524     -3.902599      4.872267
  H      -9.796277     -1.869529      5.999630
  H      -6.377829      1.021916      8.495310
  H      -6.474570      1.300822      6.752644
  H      -4.917295     -2.795212      6.092987
  N      -5.161905      3.218511      5.025338
  H      -5.896417      3.649048      4.457691
88
Coordinates from ORCA-job orca E -6506.759647613714
  N      -2.549164      1.900130      4.988968
  Mo     -3.893914      2.790206      6.142229
  N      -4.613547      1.763009      7.658846
  C      -3.789853      1.593531      8.866486
  C      -2.334235      1.469567      8.455717
  N      -2.021216      2.601190      7.545715
  C      -0.851468      2.340473      6.671801
  C      -1.267982      1.439252      5.529810
  C      -1.844467      3.864560      8.302441
  C      -2.256732      5.004015      7.401824
  N      -3.506652      4.635996      6.728562
  H      -0.496286      1.476180      4.741963
  H      -1.342141      0.383739      5.853828
  H      -0.521808      3.306602      6.265939
  H      -0.021791      1.906425      7.253176
  H      -2.410690      5.921386      7.993780
  H      -1.482286      5.233066      6.648727
  H      -2.504425      3.835377      9.178341
  H      -0.805745      3.960852      8.656862
  H      -4.086597      0.682948      9.402545
  H      -3.951758      2.448087      9.548153
  H      -2.218165      0.531848      7.897149
  H      -1.646307      1.460927      9.318480
  C      -3.103363     -5.148460      1.105705
  C      -2.731982     -3.750641      1.527162
  O      -1.565362     -3.385039      1.616859
  C      -3.843367     -2.812296      1.900302
  C      -5.191234     -3.070741      1.614773
  C      -6.192078     -2.204884      2.050650
  C      -5.839471     -1.106420      2.820888
  F      -6.821831     -0.302190      3.273711
  C      -4.496577     -0.801194      3.118438
  C      -4.146833      0.284673      4.058531
  O      -4.838966      0.500340      5.050180
  C      -2.939075      1.178204      3.791888
  C      -3.511328     -1.659262      2.617441
  C      -4.245469      9.919574     -0.269616
  C      -3.747140      8.764229      0.563549
  O      -2.940619      7.955222      0.120098
  C      -4.267515      8.619822      1.966436
  C      -5.238378      9.479543      2.509888
  C      -5.697813      9.292441      3.809766
  C      -5.182230      8.244160      4.563001
  F      -5.659838      8.096308      5.823232
  C      -4.202305      7.365891      4.071148
  C      -3.584299      6.221379      4.814239
  O      -2.645074      5.606024      4.329535
  C      -4.173804      5.798543      6.168131
  C      -3.765104      7.586015      2.756750
  C      -7.157601     -5.608964      3.973613
  C      -6.228473     -4.621770      4.638811
  O      -5.009934     -4.733703      4.542256
  C      -6.832309     -3.478933      5.398810
  C      -8.215936     -3.225843      5.407343
  C      -8.726625     -2.110074      6.062613
  C      -7.845580     -1.245546      6.702389
  F      -8.369859     -0.158590      7.317463
  C      -6.462127     -1.466565      6.742184
  C      -5.444712     -0.555944      7.359953
  O      -4.327615     -0.983924      7.615159
  C      -5.796000      0.924798      7.612195
  C      -5.983651     -2.605029      6.081860
  H      -2.194145     -5.724911      0.907401
  H      -3.687679     -5.627850      1.907640
  H      -3.733419     -5.137466      0.203486
  H      -5.473256     -3.958416      1.048854
  H      -7.243636     -2.383598      1.826163
  H      -3.248445      1.867005      2.982785
  H      -2.098366      0.594255      3.386932
  H      -2.457101     -1.485867      2.838029
  H      -4.023859     10.879613      0.220875
  H      -5.337889      9.865264     -0.394607
  H      -3.764089      9.889411     -1.252338
  H      -5.644341     10.300392      1.918923
  H      -6.450104      9.945663      4.251833
  H      -4.100980      6.650915      6.865992
  H      -5.246734      5.608496      6.031701
  H      -3.005526      6.921852      2.342602
  H      -7.865162     -6.041157      4.696485
  H      -6.566978     -6.407566      3.512995
  H      -7.756414     -5.105437      3.198413
  H      -8.905296     -3.895572      4.893435
  H      -9.794897     -1.894581      6.081260
  H      -6.349392      0.976416      8.569694
  H      -6.479150      1.276604      6.832469
  H      -4.909645     -2.793752      6.078505
  N      -5.233881      3.222566      5.120857
  H      -5.983274      3.639687      4.562683
88
Coordinates from ORCA-job orca E -6506.760408037900
  N      -2.596190      1.942786      5.000385
  Mo     -3.932832      2.801092      6.186652
  N      -4.614537      1.743713      7.699782
  C      -3.778619      1.569018      8.898511
  C      -2.327023      1.466835      8.470830
  N      -2.036874      2.607360      7.563665
  C      -0.880276      2.360521      6.668110
  C      -1.312405      1.469281      5.523525
  C      -1.860340      3.866256      8.327111
  C      -2.286378      5.012229      7.441600
  N      -3.539859      4.646485      6.776173
  H      -0.549124      1.509317      4.727637
  H      -1.388115      0.411662      5.840666
  H      -0.562174      3.332213      6.266391
  H      -0.040328      1.923901      7.232843
  H      -2.439831      5.922173      8.045101
  H      -1.519436      5.251752      6.683462
  H      -2.511959      3.824337      9.208911
  H      -0.818723      3.965956      8.672312
  H      -4.058563      0.646969      9.423832
  H      -3.944121      2.412261      9.593041
  H      -2.204628      0.533064      7.907197
  H      -1.629731      1.462681      9.326153
  C      -3.090691     -5.063284      1.035416
  C      -2.730615     -3.666424      1.470368
  O      -1.566793     -3.291830      1.562069
  C      -3.849353     -2.742069      1.855408
  C      -5.195039     -3.009492      1.567555
  C      -6.203703     -2.157939      2.014051
  C      -5.860208     -1.066123      2.797587
  F      -6.848742     -0.274901      3.261190
  C      -4.520498     -0.752375      3.097720
  C      -4.179388      0.323359      4.053466
  O      -4.859740      0.506567      5.057372
  C      -2.999365      1.252507      3.788887
  C      -3.527231     -1.593766      2.585273
  C      -4.177979      9.824105     -0.317051
  C      -3.714762      8.664640      0.530556
  O      -2.933661      7.825775      0.097018
  C      -4.234854      8.554734      1.936885
  C      -5.178578      9.449521      2.471472
  C      -5.640493      9.293060      3.774577
  C      -5.153398      8.240408      4.540308
  F      -5.633156      8.121153      5.802488
  C      -4.200002      7.327610      4.057928
  C      -3.612608      6.177979      4.816514
  O      -2.704196      5.518326      4.330439
  C      -4.190143      5.806210      6.191426
  C      -3.760613      7.516660      2.739317
  C      -7.137154     -5.625516      3.987098
  C      -6.209300     -4.636623      4.651750
  O      -4.990677     -4.741225      4.546506
  C      -6.814110     -3.501144      5.422383
  C      -8.199370     -3.257695      5.445180
  C      -8.712281     -2.150316      6.113168
  C      -7.831376     -1.284031      6.750869
  F      -8.357397     -0.206507      7.380781
  C      -6.446012     -1.494688      6.774949
  C      -5.429497     -0.581218      7.390136
  O      -4.308149     -1.003762      7.635019
  C      -5.790614      0.895022      7.656432
  C      -5.965048     -2.625238      6.102678
  H      -2.176656     -5.631691      0.835535
  H      -3.675802     -5.554772      1.829700
  H      -3.716683     -5.047911      0.130121
  H      -5.469346     -3.893199      0.991466
  H      -7.253784     -2.343474      1.787451
  H      -3.354819      1.963265      3.018439
  H      -2.156357      0.708832      3.335013
  H      -2.474742     -1.411140      2.807323
  H      -3.925763     10.783158      0.160881
  H      -5.271885      9.802448     -0.440341
  H      -3.699202      9.766297     -1.299884
  H      -5.562182     10.274393      1.870810
  H      -6.373141      9.972651      4.210214
  H      -4.093751      6.677036      6.862692
  H      -5.268228      5.631888      6.071796
  H      -3.022344      6.824756      2.331851
  H      -7.835956     -6.067769      4.712665
  H      -6.544854     -6.416957      3.516256
  H      -7.746120     -5.120558      3.220608
  H      -8.889056     -3.929010      4.933409
  H      -9.782036     -1.943088      6.144256
  H      -6.335567      0.934062      8.619322
  H      -6.483244      1.246967      6.885061
  H      -4.889770     -2.806626      6.089049
  N      -5.295701      3.233502      5.194860
  H      -6.056517      3.626090      4.634111
88
Coordinates from ORCA-job orca E -6506.760811007079
  N      -2.642355      1.952083      5.039572
  Mo     -3.966447      2.796625      6.250449
  N      -4.601987      1.727573      7.776149
  C      -3.750124      1.553236      8.963070
  C      -2.305168      1.468017      8.515398
  N      -2.040075      2.608150      7.600185
  C      -0.901674      2.364881      6.680247
  C      -1.354847      1.470426      5.545100
  C      -1.861801      3.872051      8.352392
  C      -2.299125      5.012440      7.464704
  N      -3.558859      4.650034      6.811906
  H      -0.602436      1.502543      4.738811
  H      -1.433261      0.414808      5.868772
  H      -0.596638      3.337328      6.270404
  H      -0.048380      1.932152      7.228027
  H      -2.443943      5.925311      8.065840
  H      -1.538748      5.245559      6.697224
  H      -2.503464      3.832234      9.241582
  H      -0.816989      3.980118      8.685606
  H      -4.014562      0.625494      9.486904
  H      -3.913044      2.390481      9.664893
  H      -2.178573      0.533519      7.954309
  H      -1.596826      1.475790      9.361614
  C      -3.039064     -4.995035      0.964474
  C      -2.709749     -3.605057      1.444667
  O      -1.554882     -3.200338      1.523393
  C      -3.846212     -2.718962      1.866098
  C      -5.188919     -3.016074      1.593575
  C      -6.211801     -2.193463      2.062825
  C      -5.883389     -1.101231      2.852309
  F      -6.883386     -0.332496      3.328952
  C      -4.548025     -0.759804      3.139990
  C      -4.217087      0.317498      4.099964
  O      -4.882113      0.478874      5.117503
  C      -3.068076      1.281745      3.824266
  C      -3.542137     -1.572122      2.606695
  C      -4.166222      9.702594     -0.383299
  C      -3.731665      8.541167      0.476433
  O      -2.980039      7.673011      0.048118
  C      -4.234895      8.469422      1.891321
  C      -5.144233      9.399874      2.424126
  C      -5.593742      9.278036      3.735138
  C      -5.127120      8.223705      4.510903
  F      -5.594185      8.137157      5.780017
  C      -4.206591      7.275252      4.030889
  C      -3.643973      6.122678      4.803296
  O      -2.769580      5.419979      4.313829
  C      -4.193223      5.805992      6.203619
  C      -3.779886      7.429818      2.703504
  C      -7.128549     -5.486738      3.834784
  C      -6.199377     -4.525195      4.536425
  O      -4.981333     -4.616529      4.413037
  C      -6.801218     -3.431775      5.367294
  C      -8.187953     -3.202264      5.424223
  C      -8.699301     -2.133661      6.154026
  C      -7.814687     -1.290990      6.817921
  F      -8.338433     -0.251080      7.510507
  C      -6.427550     -1.489309      6.807784
  C      -5.409474     -0.592705      7.444814
  O      -4.278983     -1.010764      7.652243
  C      -5.775056      0.874636      7.745197
  C      -5.947634     -2.581728      6.074676
  H      -2.112851     -5.532117      0.736286
  H      -3.603130     -5.530638      1.744389
  H      -3.673767     -4.964140      0.065403
  H      -5.449509     -3.897957      1.008476
  H      -7.259904     -2.399501      1.845092
  H      -3.470409      2.003582      3.087644
  H      -2.227395      0.775123      3.325890
  H      -2.491702     -1.364078      2.814585
  H      -3.878318     10.659735      0.078242
  H      -5.261392      9.714994     -0.495827
  H      -3.699834      9.615617     -1.369869
  H      -5.512183     10.226448      1.815812
  H      -6.300825      9.984739      4.169864
  H      -4.062971      6.696115      6.842785
  H      -5.277178      5.650267      6.112459
  H      -3.068749      6.709464      2.297197
  H      -7.815833     -5.969423      4.545457
  H      -6.536608     -6.249706      3.318781
  H      -7.750283     -4.949041      3.101523
  H      -8.880638     -3.854391      4.892097
  H      -9.770062     -1.938456      6.213801
  H      -6.301085      0.896082      8.719114
  H      -6.483187      1.233217      6.991098
  H      -4.871228     -2.751583      6.034541
  N      -5.353696      3.206871      5.284628
  H      -6.130562      3.566291      4.723578
88
Coordinates from ORCA-job orca E -6506.761463573785
  N      -2.653327      1.972203      5.047456
  Mo     -3.978279      2.803217      6.267755
  N      -4.602985      1.716923      7.785945
  C      -3.755489      1.540233      8.974900
  C      -2.309372      1.462144      8.529918
  N      -2.047948      2.603112      7.615697
  C      -0.913856      2.359763      6.691046
  C      -1.373431      1.472872      5.552679
  C      -1.867805      3.866471      8.367205
  C      -2.298259      5.009989      7.479535
  N      -3.557994      4.655779      6.823874
  H      -0.618648      1.499611      4.748471
  H      -1.464742      0.417317      5.872928
  H      -0.606947      3.332687      6.284062
  H      -0.059800      1.921791      7.233515
  H      -2.438721      5.921723      8.083779
  H      -1.534414      5.241973      6.714744
  H      -2.511450      3.829016      9.255249
  H      -0.823502      3.973176      8.703273
  H      -4.019398      0.610337      9.495095
  H      -3.922368      2.374326      9.679799
  H      -2.175925      0.528814      7.968587
  H      -1.602952      1.474149      9.377745
  C      -2.999671     -4.929946      0.908886
  C      -2.679313     -3.538433      1.390495
  O      -1.526130     -3.132882      1.486769
  C      -3.821508     -2.661158      1.813793
  C      -5.161450     -2.962295      1.531549
  C      -6.190731     -2.148925      2.003004
  C      -5.871262     -1.062900      2.804446
  F      -6.876769     -0.304420      3.286521
  C      -4.539417     -0.718930      3.103187
  C      -4.219731      0.347439      4.078687
  O      -4.886892      0.488976      5.097383
  C      -3.079364      1.326878      3.819964
  C      -3.526656     -1.520163      2.567064
  C      -4.150405      9.667365     -0.403984
  C      -3.714879      8.511964      0.463055
  O      -2.975931      7.632734      0.035168
  C      -4.220454      8.447466      1.877449
  C      -5.124802      9.384860      2.406321
  C      -5.575164      9.271056      3.717693
  C      -5.114725      8.217308      4.497840
  F      -5.583348      8.138472      5.766741
  C      -4.199860      7.261239      4.021590
  C      -3.644374      6.108981      4.799515
  O      -2.795654      5.380883      4.302129
  C      -4.182497      5.812956      6.208389
  C      -3.772558      7.407674      2.693546
  C      -7.172101     -5.542900      3.912259
  C      -6.234360     -4.566755      4.581401
  O      -5.017891     -4.661543      4.445475
  C      -6.825459     -3.462253      5.405513
  C      -8.211539     -3.234849      5.481655
  C      -8.713999     -2.160779      6.209599
  C      -7.821210     -1.310885      6.852923
  F      -8.336754     -0.268391      7.547756
  C      -6.433892     -1.505309      6.821553
  C      -5.408444     -0.602614      7.437690
  O      -4.278258     -1.021313      7.645264
  C      -5.775867      0.862797      7.745791
  C      -5.962830     -2.603261      6.090938
  H      -2.069333     -5.464977      0.692927
  H      -3.572379     -5.466483      1.681990
  H      -3.622812     -4.901592      0.001786
  H      -5.414681     -3.840406      0.937712
  H      -7.236718     -2.357856      1.778140
  H      -3.493029      2.063571      3.104780
  H      -2.236458      0.841677      3.303983
  H      -2.478381     -1.309269      2.783418
  H      -3.857324     10.627154      0.048489
  H      -5.246057      9.682839     -0.511671
  H      -3.688881      9.571026     -1.391980
  H      -5.488159     10.211325      1.795084
  H      -6.278381      9.983467      4.149297
  H      -4.033983      6.707950      6.836270
  H      -5.269500      5.669337      6.129715
  H      -3.066060      6.681124      2.290198
  H      -7.846055     -6.014664      4.642775
  H      -6.586366     -6.313449      3.400465
  H      -7.807716     -5.020524      3.179910
  H      -8.910923     -3.893688      4.966864
  H      -9.784171     -1.967941      6.285027
  H      -6.304387      0.878058      8.718406
  H      -6.482103      1.224820      6.991626
  H      -4.886896     -2.771809      6.036650
  N      -5.369419      3.214898      5.308568
  H      -6.148434      3.562129      4.743037
88
Coordinates from ORCA-job orca E -6506.761824189153
  N      -2.681958      1.971638      5.053957
  Mo     -4.000866      2.800708      6.282645
  N      -4.610203      1.712435      7.805533
  C      -3.762478      1.544644      8.994478
  C      -2.316713      1.466708      8.546730
  N      -2.061586      2.598664      7.620760
  C      -0.935717      2.343692      6.689717
  C      -1.408947      1.456045      5.557940
  C      -1.873487      3.868630      8.358261
  C      -2.299720      5.007301      7.461619
  N      -3.563814      4.655947      6.813981
  H      -0.655241      1.468352      4.752311
  H      -1.514315      0.403627      5.884073
  H      -0.625064      3.312191      6.275446
  H      -0.080048      1.902806      7.227338
  H      -2.431243      5.924083      8.060567
  H      -1.536135      5.230179      6.693505
  H      -2.515382      3.843825      9.248360
  H      -0.828118      3.975397      8.691782
  H      -4.025540      0.618386      9.521721
  H      -3.929362      2.383046      9.694622
  H      -2.180284      0.528818      7.993755
  H      -1.608467      1.490377      9.392744
  C      -2.978371     -4.883826      0.842201
  C      -2.670089     -3.499658      1.352370
  O      -1.520562     -3.084968      1.452830
  C      -3.819818     -2.638019      1.787042
  C      -5.157331     -2.949355      1.504028
  C      -6.193438     -2.148848      1.982329
  C      -5.882872     -1.065471      2.790753
  F      -6.894187     -0.318328      3.278626
  C      -4.553982     -0.712631      3.091913
  C      -4.243480      0.348933      4.074981
  O      -4.909987      0.477281      5.095498
  C      -3.112398      1.341334      3.821566
  C      -3.534398     -1.500508      2.549215
  C      -4.090798      9.685064     -0.407713
  C      -3.678446      8.516417      0.452729
  O      -2.928787      7.643269      0.031064
  C      -4.199322      8.445712      1.861267
  C      -5.104775      9.384092      2.386366
  C      -5.568575      9.264855      3.692594
  C      -5.119999      8.205228      4.471804
  F      -5.600701      8.122679      5.735963
  C      -4.205958      7.246997      3.998679
  C      -3.664081      6.086934      4.774662
  O      -2.820735      5.352569      4.277806
  C      -4.187836      5.809639      6.192205
  C      -3.764830      7.399215      2.675977
  C      -7.157133     -5.542962      3.931396
  C      -6.222976     -4.569959      4.609820
  O      -5.007021     -4.649241      4.460399
  C      -6.817887     -3.476194      5.445319
  C      -8.205232     -3.262442      5.535569
  C      -8.711084     -2.198274      6.275656
  C      -7.820457     -1.343184      6.915056
  F      -8.339250     -0.310229      7.621846
  C      -6.431638     -1.522968      6.867558
  C      -5.408863     -0.611375      7.473748
  O      -4.274190     -1.020748      7.674728
  C      -5.781701      0.855110      7.769276
  C      -5.957253     -2.612831      6.127455
  H      -2.042922     -5.407190      0.619532
  H      -3.550441     -5.440898      1.601194
  H      -3.597477     -4.841974     -0.067114
  H      -5.403142     -3.825756      0.904547
  H      -7.237725     -2.365538      1.756798
  H      -3.538505      2.086301      3.122879
  H      -2.269062      0.872903      3.290520
  H      -2.487687     -1.281931      2.766214
  H      -3.801935     10.637656      0.062417
  H      -5.183988      9.707879     -0.536627
  H      -3.610423      9.598695     -1.387664
  H      -5.458385     10.215833      1.776605
  H      -6.272867      9.978235      4.120837
  H      -4.025994      6.710415      6.808450
  H      -5.276803      5.671405      6.127944
  H      -3.057992      6.671278      2.275629
  H      -7.821362     -6.032288      4.659293
  H      -6.568390     -6.299962      3.403064
  H      -7.802882     -5.014842      3.212078
  H      -8.902937     -3.924276      5.022289
  H      -9.782354     -2.016592      6.362611
  H      -6.311661      0.875956      8.740682
  H      -6.487816      1.209198      7.010928
  H      -4.880240     -2.769988      6.060798
  N      -5.399706      3.205287      5.332653
  H      -6.184540      3.541868      4.768754
88
Coordinates from ORCA-job orca E -6506.762152939438
  N      -2.703627      1.962271      5.072068
  Mo     -4.014329      2.798067      6.305079
  N      -4.614868      1.713363      7.833265
  C      -3.770010      1.552671      9.023983
  C      -2.323838      1.468510      8.577255
  N      -2.068929      2.588049      7.637209
  C      -0.950785      2.313591      6.702672
  C      -1.440917      1.425413      5.578602
  C      -1.868300      3.865713      8.356826
  C      -2.283041      4.997977      7.445884
  N      -3.552523      4.654369      6.805694
  H      -0.687213      1.416948      4.772912
  H      -1.566422      0.377744      5.913028
  H      -0.630072      3.274816      6.279378
  H      -0.096840      1.866337      7.237818
  H      -2.401302      5.922836      8.035391
  H      -1.517530      5.204748      6.675035
  H      -2.510541      3.860290      9.247349
  H      -0.822238      3.968618      8.689922
  H      -4.037492      0.632378      9.559764
  H      -3.934556      2.397246      9.717388
  H      -2.186670      0.524364      8.035314
  H      -1.615764      1.503339      9.422872
  C      -2.941887     -4.833958      0.772444
  C      -2.650075     -3.460070      1.319270
  O      -1.504985     -3.037041      1.434355
  C      -3.809531     -2.619384      1.769105
  C      -5.143670     -2.942451      1.483475
  C      -6.188117     -2.157750      1.969539
  C      -5.889163     -1.078711      2.788065
  F      -6.908169     -0.343628      3.277835
  C      -4.563891     -0.715250      3.093869
  C      -4.264049      0.342577      4.084137
  O      -4.932196      0.460349      5.105042
  C      -3.139157      1.345293      3.835743
  C      -3.536149     -1.487304      2.543717
  C      -4.081876      9.669825     -0.425724
  C      -3.660994      8.507447      0.439006
  O      -2.909165      7.635459      0.018901
  C      -4.190411      8.432927      1.844119
  C      -5.103209      9.366766      2.364570
  C      -5.572817      9.245008      3.668516
  C      -5.122787      8.187757      4.450290
  F      -5.609129      8.103774      5.712288
  C      -4.203096      7.233239      3.981186
  C      -3.660473      6.074054      4.758636
  O      -2.834083      5.325899      4.254415
  C      -4.174409      5.807778      6.181084
  C      -3.756513      7.387764      2.660694
  C      -7.157617     -5.510588      3.921481
  C      -6.224390     -4.538447      4.602190
  O      -5.008454     -4.615248      4.451971
  C      -6.818851     -3.459723      5.457136
  C      -8.206480     -3.255588      5.563946
  C      -8.711187     -2.204697      6.323685
  C      -7.819215     -1.352435      6.964932
  F      -8.335869     -0.331490      7.690935
  C      -6.430101     -1.522926      6.900278
  C      -5.407891     -0.609413      7.502354
  O      -4.270955     -1.013906      7.699874
  C      -5.785866      0.855381      7.796484
  C      -5.956681     -2.600362      6.142130
  H      -1.999644     -5.342630      0.544344
  H      -3.514869     -5.416508      1.511088
  H      -3.553402     -4.774484     -0.140987
  H      -5.380162     -3.815482      0.875453
  H      -7.229954     -2.382583      1.740698
  H      -3.573544      2.097610      3.150604
  H      -2.296061      0.889892      3.293092
  H      -2.491575     -1.260120      2.761975
  H      -3.802310     10.626257      0.042106
  H      -5.174945      9.683065     -0.557030
  H      -3.598718      9.584741     -1.404432
  H      -5.457985     10.196896      1.753381
  H      -6.282748      9.955240      4.092615
  H      -4.000236      6.711303      6.790266
  H      -5.264786      5.676052      6.128546
  H      -3.044793      6.662611      2.263896
  H      -7.813153     -6.010924      4.649835
  H      -6.568110     -6.258806      3.381607
  H      -7.812067     -4.980020      3.212015
  H      -8.905131     -3.914349      5.048049
  H      -9.782609     -2.030933      6.423804
  H      -6.318557      0.876823      8.766195
  H      -6.490629      1.206355      7.034969
  H      -4.879504     -2.749918      6.062031
  N      -5.417478      3.196016      5.360434
  H      -6.208033      3.525796      4.800506
88
Coordinates from ORCA-job orca E -6506.762407958608
  N      -2.732577      1.949761      5.080444
  Mo     -4.032899      2.792630      6.317933
  N      -4.621455      1.714822      7.853899
  C      -3.776332      1.569224      9.045893
  C      -2.330063      1.480159      8.599206
  N      -2.079484      2.584326      7.640231
  C      -0.969314      2.288401      6.702437
  C      -1.477912      1.395966      5.589677
  C      -1.867354      3.871841      8.338557
  C      -2.277299      4.993315      7.411761
  N      -3.553793      4.650370      6.785584
  H      -0.726948      1.364885      4.782023
  H      -1.620841      0.354396      5.936104
  H      -0.638947      3.240947      6.267008
  H      -0.117166      1.836526      7.236370
  H      -2.384147      5.927840      7.988234
  H      -1.514375      5.183882      6.634367
  H      -2.508138      3.886079      9.230275
  H      -0.820137      3.973020      8.668568
  H      -4.044662      0.656883      9.594820
  H      -3.939617      2.423064      9.728048
  H      -2.191077      0.527724      8.072667
  H      -1.621145      1.531262      9.443062
  C      -2.894829     -4.786568      0.696101
  C      -2.624532     -3.422455      1.277491
  O      -1.485534     -2.987568      1.407887
  C      -3.796183     -2.610047      1.747329
  C      -5.125917     -2.952826      1.464817
  C      -6.180984     -2.191381      1.964353
  C      -5.896645     -1.115446      2.792064
  F      -6.925803     -0.401767      3.291418
  C      -4.576003     -0.732773      3.096269
  C      -4.288767      0.323549      4.091818
  O      -4.957586      0.429040      5.113873
  C      -3.173047      1.339318      3.843076
  C      -3.538275     -1.482456      2.533718
  C      -4.033417      9.700979     -0.423560
  C      -3.618206      8.533852      0.437659
  O      -2.854800      7.670137      0.021655
  C      -4.167824      8.445146      1.834141
  C      -5.091634      9.371198      2.349394
  C      -5.578762      9.236265      3.645643
  C      -5.135083      8.174648      4.425299
  F      -5.638088      8.079130      5.680174
  C      -4.206649      7.226943      3.960742
  C      -3.671128      6.061025      4.734096
  O      -2.847589      5.310899      4.228593
  C      -4.180860      5.800246      6.158503
  C      -3.742557      7.394516      2.647895
  C      -7.171471     -5.496872      3.934741
  C      -6.234722     -4.526948      4.613805
  O      -5.020805     -4.592676      4.443875
  C      -6.824440     -3.457942      5.484273
  C      -8.211683     -3.265728      5.615828
  C      -8.711941     -2.225300      6.392932
  C      -7.816175     -1.370629      7.025452
  F      -8.327222     -0.359827      7.769745
  C      -6.427190     -1.529372      6.935611
  C      -5.403603     -0.610701      7.525389
  O      -4.262518     -1.008058      7.712772
  C      -5.788880      0.851662      7.821696
  C      -5.957836     -2.596529      6.160921
  H      -1.944380     -5.276008      0.460216
  H      -3.463195     -5.396308      1.415935
  H      -3.502226     -4.712002     -0.218983
  H      -5.350633     -3.823344      0.848809
  H      -7.219873     -2.431346      1.737565
  H      -3.618453      2.094229      3.168353
  H      -2.330015      0.896308      3.290467
  H      -2.496377     -1.240979      2.749011
  H      -3.767152     10.655290      0.056140
  H      -5.124472      9.708223     -0.571000
  H      -3.535183      9.627114     -1.395593
  H      -5.441320     10.204917      1.740269
  H      -6.297628      9.940398      4.064804
  H      -4.004781      6.706572      6.763711
  H      -5.270867      5.667179      6.112356
  H      -3.023281      6.674657      2.255018
  H      -7.810690     -6.011840      4.667338
  H      -6.585078     -6.233194      3.375460
  H      -7.841707     -4.962588      3.243110
  H      -8.913414     -3.926444      5.106678
  H      -9.782926     -2.062050      6.513251
  H      -6.320212      0.871828      8.792118
  H      -6.497094      1.197643      7.060882
  H      -4.881134     -2.737567      6.061834
  N      -5.443065      3.178074      5.380201
  H      -6.242337      3.501715      4.829133
88
Coordinates from ORCA-job orca E -6506.762607370130
  N      -2.774538      1.937944      5.093912
  Mo     -4.058966      2.794747      6.335377
  N      -4.641527      1.726577      7.878351
  C      -3.796904      1.596896      9.072515
  C      -2.350596      1.495200      8.627090
  N      -2.098214      2.580831      7.647328
  C      -0.997921      2.255964      6.706846
  C      -1.530776      1.361383      5.606892
  C      -1.867300      3.876906      8.324002
  C      -2.269875      4.988402      7.382177
  N      -3.556379      4.649889      6.774499
  H      -0.784341      1.302038      4.796695
  H      -1.696819      0.328071      5.967273
  H      -0.652065      3.197163      6.258802
  H      -0.151285      1.794357      7.240894
  H      -2.361103      5.933356      7.944210
  H      -1.511984      5.158481      6.595459
  H      -2.505456      3.912836      9.217129
  H      -0.817956      3.970377      8.649305
  H      -4.069361      0.694635      9.636147
  H      -3.956213      2.462337      9.740603
  H      -2.214095      0.532678      8.118769
  H      -1.641181      1.561163      9.469269
  C      -2.895260     -4.723722      0.598252
  C      -2.637440     -3.380396      1.231637
  O      -1.502639     -2.936571      1.369100
  C      -3.816440     -2.590474      1.721192
  C      -5.143278     -2.945037      1.440050
  C      -6.204654     -2.202728      1.954539
  C      -5.929386     -1.133456      2.793830
  F      -6.964974     -0.438317      3.305468
  C      -4.611781     -0.738996      3.097726
  C      -4.332637      0.311973      4.101414
  O      -5.002573      0.406265      5.123321
  C      -3.221181      1.335238      3.854963
  C      -3.568300     -1.470434      2.521536
  C      -3.969977      9.709821     -0.430029
  C      -3.562105      8.541798      0.433755
  O      -2.785499      7.685163      0.027993
  C      -4.132431      8.446292      1.821518
  C      -5.067001      9.367638      2.326242
  C      -5.572871      9.225871      3.614614
  C      -5.137057      8.163193      4.397290
  F      -5.659068      8.060992      5.644152
  C      -4.199498      7.220008      3.943112
  C      -3.671924      6.051169      4.718361
  O      -2.858788      5.290652      4.211956
  C      -4.183991      5.798162      6.143244
  C      -3.716944      7.393827      2.637633
  C      -7.108210     -5.494984      3.951929
  C      -6.184652     -4.514685      4.634388
  O      -4.969617     -4.566194      4.468334
  C      -6.788310     -3.461505      5.514721
  C      -8.177732     -3.292693      5.654807
  C      -8.690659     -2.267125      6.443492
  C      -7.805552     -1.402852      7.077855
  F      -8.327857     -0.407059      7.834537
  C      -6.414652     -1.538441      6.979138
  C      -5.402631     -0.607573      7.568675
  O      -4.255333     -0.988885      7.750857
  C      -5.802189      0.853880      7.851040
  C      -5.932275     -2.591781      6.193969
  H      -1.940213     -5.194599      0.343918
  H      -3.458099     -5.367175      1.292412
  H      -3.502934     -4.618164     -0.313739
  H      -5.360834     -3.809987      0.813646
  H      -7.241662     -2.452209      1.729337
  H      -3.673156      2.094396      3.189922
  H      -2.379980      0.899706      3.293943
  H      -2.527935     -1.221105      2.735276
  H      -3.716800     10.664133      0.056730
  H      -5.058659      9.710926     -0.594355
  H      -3.456132      9.641948     -1.394353
  H      -5.410509     10.202220      1.714818
  H      -6.300918      9.925988      4.024632
  H      -4.006863      6.706753      6.745252
  H      -5.273731      5.666337      6.099007
  H      -2.990310      6.676956      2.252758
  H      -7.735841     -6.024849      4.684017
  H      -6.512106     -6.218199      3.385829
  H      -7.789750     -4.967493      3.266252
  H      -8.871196     -3.960875      5.144022
  H      -9.763569     -2.123255      6.571384
  H      -6.336732      0.878254      8.819353
  H      -6.511339      1.186436      7.084910
  H      -4.854097     -2.715119      6.087666
  N      -5.474681      3.175559      5.405090
  H      -6.282096      3.495636      4.863856
88
Coordinates from ORCA-job orca E -6506.762797134844
  N      -2.792849      1.921217      5.101128
  Mo     -4.069827      2.790535      6.338744
  N      -4.647842      1.730929      7.888531
  C      -3.803712      1.616716      9.084986
  C      -2.356844      1.509505      8.643420
  N      -2.103379      2.581810      7.648600
  C      -1.008700      2.237951      6.707876
  C      -1.554505      1.336213      5.620027
  C      -1.864407      3.885412      8.308219
  C      -2.266416      4.986181      7.353814
  N      -3.559044      4.645547      6.760347
  H      -0.811533      1.256495      4.808581
  H      -1.733280      0.310484      5.995086
  H      -0.654946      3.171142      6.249306
  H      -0.165544      1.773377      7.244651
  H      -2.349696      5.939604      7.902425
  H      -1.514156      5.140668      6.558712
  H      -2.500838      3.934345      9.201815
  H      -0.813817      3.977298      8.629648
  H      -4.077339      0.722223      9.660643
  H      -3.962554      2.491476      9.740566
  H      -2.218703      0.539736      8.149892
  H      -1.649326      1.588973      9.485951
  C      -2.843865     -4.675220      0.512955
  C      -2.605425     -3.346560      1.183867
  O      -1.476789     -2.890528      1.332611
  C      -3.794888     -2.587291      1.695948
  C      -5.117211     -2.963017      1.420882
  C      -6.187652     -2.245194      1.951279
  C      -5.925397     -1.178155      2.797628
  F      -6.970075     -0.506157      3.321123
  C      -4.612886     -0.762714      3.096366
  C      -4.345502      0.288573      4.104012
  O      -5.018994      0.375667      5.123503
  C      -3.239349      1.319108      3.861242
  C      -3.561298     -1.471760      2.507026
  C      -3.935077      9.736053     -0.426078
  C      -3.527008      8.567296      0.436743
  O      -2.739773      7.718449      0.035188
  C      -4.113773      8.458613      1.816738
  C      -5.059150      9.371582      2.316784
  C      -5.580134      9.217804      3.597695
  C      -5.148672      8.151489      4.377592
  F      -5.686427      8.036105      5.616670
  C      -4.201113      7.216067      3.928112
  C      -3.679261      6.043025      4.701061
  O      -2.865582      5.282449      4.195624
  C      -4.191240      5.790829      6.126527
  C      -3.703284      7.401791      2.629830
  C      -7.140549     -5.478374      3.969255
  C      -6.210600     -4.504325      4.652085
  O      -4.997834     -4.549479      4.468610
  C      -6.806037     -3.460844      5.549412
  C      -8.193921     -3.299620      5.711637
  C      -8.699827     -2.280663      6.513401
  C      -7.809216     -1.414883      7.137832
  F      -8.323940     -0.423189      7.905050
  C      -6.419387     -1.543625      7.017639
  C      -5.403556     -0.606949      7.591489
  O      -4.254954     -0.985431      7.771465
  C      -5.805779      0.854521      7.869333
  C      -5.943684     -2.591371      6.221115
  H      -1.882222     -5.123181      0.242706
  H      -3.394262     -5.348335      1.188421
  H      -3.455685     -4.551662     -0.394046
  H      -5.324099     -3.824078      0.785555
  H      -7.221710     -2.510859      1.731081
  H      -3.694960      2.077951      3.198615
  H      -2.396746      0.887961      3.299196
  H      -2.523662     -1.206769      2.714974
  H      -3.693893     10.690164      0.067130
  H      -5.022102      9.729311     -0.600924
  H      -3.411330      9.676207     -1.385577
  H      -5.399267     10.208974      1.707267
  H      -6.317085      9.910992      4.003584
  H      -4.019562      6.701106      6.727617
  H      -5.279989      5.653588      6.081511
  H      -2.969058      6.690856      2.248348
  H      -7.754571     -6.021179      4.703456
  H      -6.550311     -6.191068      3.384014
  H      -7.834643     -4.943993      3.301818
  H      -8.891848     -3.967886      5.207052
  H      -9.771384     -2.142399      6.657714
  H      -6.337619      0.882489      8.838925
  H      -6.518447      1.180652      7.103587
  H      -4.866835     -2.707730      6.095693
  N      -5.488831      3.161087      5.409491
  H      -6.303878      3.468377      4.872307
88
Coordinates from ORCA-job orca E -6506.762972249825
  N      -2.807393      1.904311      5.110517
  Mo     -4.075648      2.788786      6.341846
  N      -4.653641      1.737383      7.896429
  C      -3.810630      1.635727      9.095548
  C      -2.363117      1.522809      8.658637
  N      -2.105707      2.583778      7.651915
  C      -1.016357      2.221774      6.710995
  C      -1.574294      1.311906      5.635944
  C      -1.859010      3.893062      8.298381
  C      -2.261849      4.985176      7.334882
  N      -3.561415      4.643766      6.755178
  H      -0.835438      1.211305      4.823352
  H      -1.765139      0.294870      6.027425
  H      -0.655598      3.147296      6.242588
  H      -0.177028      1.754329      7.251198
  H      -2.337313      5.945899      7.871377
  H      -1.516550      5.123842      6.530570
  H      -2.493481      3.950863      9.192673
  H      -0.806957      3.982355      8.615315
  H      -4.085817      0.747378      9.679933
  H      -3.969783      2.518211      9.740446
  H      -2.224019      0.546871      8.177882
  H      -1.658249      1.612659      9.502323
  C      -2.801712     -4.624912      0.426881
  C      -2.578230     -3.312943      1.134862
  O      -1.453475     -2.855471      1.307492
  C      -3.775633     -2.580665      1.667070
  C      -5.094102     -2.970295      1.392216
  C      -6.171453     -2.273282      1.936512
  C      -5.919755     -1.212576      2.794050
  F      -6.971748     -0.559152      3.326130
  C      -4.611701     -0.783333      3.093179
  C      -4.354862      0.265459      4.107783
  O      -5.032465      0.343958      5.125003
  C      -3.254606      1.304360      3.869631
  C      -3.553893     -1.473084      2.492431
  C      -3.914871      9.744974     -0.426180
  C      -3.509756      8.574683      0.435888
  O      -2.716591      7.729698      0.037741
  C      -4.103281      8.461394      1.812692
  C      -5.050099      9.373519      2.311388
  C      -5.578004      9.215973      3.588952
  C      -5.151798      8.146136      4.366618
  F      -5.696620      8.025433      5.602038
  C      -4.202663      7.211240      3.918671
  C      -3.687776      6.035087      4.690760
  O      -2.882623      5.266718      4.183122
  C      -4.195332      5.787470      6.119132
  C      -3.697721      7.400821      2.623570
  C      -7.162895     -5.476324      4.001816
  C      -6.228992     -4.504264      4.682220
  O      -5.017160     -4.549653      4.492813
  C      -6.819776     -3.460173      5.581711
  C      -8.206725     -3.299762      5.752145
  C      -8.708721     -2.280437      6.555990
  C      -7.814768     -1.413292      7.173699
  F      -8.324858     -0.420337      7.942489
  C      -6.425791     -1.541655      7.045489
  C      -5.407560     -0.603550      7.612957
  O      -4.257819     -0.980544      7.788413
  C      -5.809754      0.858842      7.884394
  C      -5.953663     -2.589512      6.247175
  H      -1.835094     -5.055446      0.146383
  H      -3.346520     -5.323194      1.080748
  H      -3.413033     -4.480517     -0.477308
  H      -5.292678     -3.824081      0.744579
  H      -7.202872     -2.549377      1.716794
  H      -3.716072      2.063520      3.211744
  H      -2.410960      0.879701      3.304487
  H      -2.518689     -1.197528      2.698851
  H      -3.676347     10.698190      0.070065
  H      -5.001166      9.737482     -0.605395
  H      -3.387072      9.687520     -1.383578
  H      -5.385742     10.213685      1.703162
  H      -6.316407      9.908151      3.993891
  H      -4.025386      6.699338      6.717971
  H      -5.283843      5.647516      6.074968
  H      -2.962528      6.690479      2.242932
  H      -7.771529     -6.021946      4.738450
  H      -6.576187     -6.186924      3.410564
  H      -7.861802     -4.940007      3.341026
  H      -8.907254     -3.969256      5.252848
  H      -9.779455     -2.143035      6.706930
  H      -6.338925      0.891285      8.855238
  H      -6.525068      1.179593      7.118612
  H      -4.877578     -2.705365      6.115228
  N      -5.496983      3.148137      5.411451
  H      -6.319487      3.439654      4.876802
88
Coordinates from ORCA-job orca E -6506.763123139683
  N      -2.814845      1.890343      5.113929
  Mo     -4.076383      2.789886      6.337183
  N      -4.658848      1.743258      7.892754
  C      -3.818373      1.649526      9.094927
  C      -2.369777      1.533047      8.663396
  N      -2.106112      2.587105      7.650435
  C      -1.020273      2.212221      6.710083
  C      -1.585168      1.294765      5.645444
  C      -1.853451      3.899643      8.288859
  C      -2.257832      4.986287      7.320066
  N      -3.564049      4.645225      6.752370
  H      -0.849227      1.178563      4.832563
  H      -1.783865      0.285058      6.050826
  H      -0.655543      3.132452      6.234610
  H      -0.183667      1.743533      7.253591
  H      -2.325875      5.952263      7.847512
  H      -1.519480      5.111223      6.507312
  H      -2.485540      3.961903      9.184470
  H      -0.799909      3.986697      8.601113
  H      -4.095360      0.764608      9.683524
  H      -3.979397      2.536766      9.732886
  H      -2.229419      0.553429      8.190590
  H      -1.668532      1.628551      9.509503
  C      -2.748728     -4.584799      0.354643
  C      -2.537686     -3.293624      1.103514
  O      -1.417533     -2.828285      1.285287
  C      -3.743144     -2.580888      1.643646
  C      -5.057330     -2.984288      1.367164
  C      -6.141998     -2.304166      1.918338
  C      -5.901885     -1.245072      2.781219
  F      -6.961597     -0.607640      3.317372
  C      -4.598805     -0.801999      3.081939
  C      -4.354806      0.245947      4.101930
  O      -5.038768      0.316720      5.114740
  C      -3.259601      1.292233      3.871336
  C      -3.534080     -1.476452      2.476582
  C      -3.907634      9.757011     -0.422351
  C      -3.504255      8.585000      0.437990
  O      -2.717233      7.735857      0.036277
  C      -4.097817      8.470200      1.814733
  C      -5.036592      9.387874      2.317925
  C      -5.564863      9.230241      3.595312
  C      -5.146780      8.153670      4.367860
  F      -5.691530      8.031659      5.603012
  C      -4.205731      7.212413      3.915129
  C      -3.701743      6.029926      4.683218
  O      -2.909811      5.251093      4.170156
  C      -4.199244      5.788233      6.116576
  C      -3.700006      7.402567      2.620441
  C      -7.207434     -5.491208      4.051135
  C      -6.266578     -4.514051      4.714578
  O      -5.057000     -4.559224      4.510862
  C      -6.847849     -3.464907      5.614349
  C      -8.232975     -3.302707      5.797036
  C      -8.727024     -2.278182      6.599229
  C      -7.826575     -1.407901      7.203015
  F      -8.328738     -0.409482      7.970175
  C      -6.439104     -1.538867      7.063540
  C      -5.415125     -0.598616      7.617460
  O      -4.267130     -0.978643      7.797233
  C      -5.814897      0.865036      7.884153
  C      -5.974666     -2.591484      6.267020
  H      -1.778324     -4.996056      0.058795
  H      -3.284416     -5.309715      0.986683
  H      -3.364220     -4.417615     -0.542768
  H      -5.246899     -3.835109      0.712950
  H      -7.170364     -2.591866      1.699170
  H      -3.724934      2.051634      3.216825
  H      -2.413263      0.874004      3.305446
  H      -2.501704     -1.191328      2.684412
  H      -3.661001     10.708897      0.072487
  H      -4.994917      9.755482     -0.595702
  H      -3.385149      9.696440     -1.382458
  H      -5.365196     10.233429      1.713284
  H      -6.296996      9.926629      4.004352
  H      -4.027334      6.701022      6.712875
  H      -5.288121      5.647213      6.076041
  H      -2.970915      6.688056      2.236022
  H      -7.804339     -6.035107      4.798621
  H      -6.627193     -6.203254      3.455288
  H      -7.916913     -4.959475      3.397967
  H      -8.938688     -3.974742      5.308587
  H      -9.796185     -2.139121      6.759452
  H      -6.342824      0.901236      8.855596
  H      -6.530786      1.183481      7.117793
  H      -4.899951     -2.709235      6.126222
  N      -5.498447      3.137573      5.402821
  H      -6.328067      3.410460      4.869260
88
Coordinates from ORCA-job orca E -6506.763255317426
  N      -2.829773      1.876147      5.122300
  Mo     -4.081054      2.792704      6.341219
  N      -4.667543      1.750476      7.897398
  C      -3.829320      1.662431      9.101531
  C      -2.380360      1.538431      8.672467
  N      -2.109563      2.584624      7.653315
  C      -1.029831      2.195116      6.712030
  C      -1.604444      1.273739      5.656580
  C      -1.845016      3.899376      8.282214
  C      -2.247905      4.982131      7.308169
  N      -3.562905      4.647344      6.755325
  H      -0.871701      1.143194      4.843131
  H      -1.812111      0.270210      6.072375
  H      -0.660541      3.109752      6.229481
  H      -0.194811      1.723692      7.255895
  H      -2.302273      5.953220      7.827337
  H      -1.516414      5.091106      6.487023
  H      -2.471772      3.970131      9.181071
  H      -0.789073      3.981934      8.587513
  H      -4.110071      0.781803      9.694827
  H      -3.989110      2.554403      9.733353
  H      -2.242270      0.555262      8.206441
  H      -1.680710      1.637014      9.519539
  C      -2.698771     -4.528246      0.277746
  C      -2.504244     -3.254011      1.059669
  O      -1.388829     -2.786312      1.263414
  C      -3.718482     -2.567326      1.613878
  C      -5.027702     -2.988442      1.339316
  C      -6.119977     -2.330207      1.901874
  C      -5.892487     -1.273628      2.771299
  F      -6.959989     -0.656335      3.315757
  C      -4.594950     -0.813951      3.071482
  C      -4.364245      0.231247      4.098029
  O      -5.054097      0.293232      5.106293
  C      -3.273246      1.284053      3.876828
  C      -3.522952     -1.468401      2.457406
  C      -3.905739      9.742958     -0.429393
  C      -3.510352      8.567517      0.429803
  O      -2.733256      7.710530      0.025320
  C      -4.096066      8.461351      1.810670
  C      -5.017666      9.392680      2.320016
  C      -5.539092      9.243820      3.601313
  C      -5.130698      8.161836      4.371502
  F      -5.668583      8.047832      5.610269
  C      -4.207071      7.206337      3.912134
  C      -3.716153      6.017675      4.677935
  O      -2.951917      5.217698      4.154947
  C      -4.196601      5.790505      6.119559
  C      -3.708104      7.388022      2.613764
  C      -7.223239     -5.494530      4.089165
  C      -6.283335     -4.511244      4.744829
  O      -5.074168     -4.554228      4.538365
  C      -6.863983     -3.461478      5.644110
  C      -8.248807     -3.299946      5.828921
  C      -8.742159     -2.274350      6.630104
  C      -7.841055     -1.402266      7.230477
  F      -8.342927     -0.402440      7.996201
  C      -6.453821     -1.532896      7.089070
  C      -5.429046     -0.591389      7.639285
  O      -4.281492     -0.971414      7.821287
  C      -5.825650      0.875255      7.891448
  C      -5.990094     -2.586856      6.294101
  H      -1.722968     -4.920976     -0.025405
  H      -3.227810     -5.275813      0.888724
  H      -3.314096     -4.344978     -0.616606
  H      -5.207509     -3.836144      0.678313
  H      -7.144780     -2.632819      1.685984
  H      -3.741266      2.046649      3.228349
  H      -2.424874      0.873488      3.308251
  H      -2.493875     -1.170570      2.663996
  H      -3.642626     10.692332      0.061846
  H      -4.994281      9.755539     -0.594002
  H      -3.391610      9.674143     -1.393459
  H      -5.338237     10.242522      1.717065
  H      -6.258194      9.950646      4.015509
  H      -4.012521      6.705173      6.708752
  H      -5.287025      5.655511      6.090223
  H      -2.992390      6.662895      2.224192
  H      -7.813721     -6.038894      4.841505
  H      -6.642735     -6.205933      3.492785
  H      -7.938710     -4.968272      3.438126
  H      -8.955011     -3.973187      5.342815
  H      -9.811116     -2.135532      6.791919
  H      -6.356063      0.920117      8.861120
  H      -6.538248      1.189575      7.120219
  H      -4.915580     -2.704262      6.151600
  N      -5.504872      3.130120      5.405671
  H      -6.342631      3.384259      4.875519
88
Coordinates from ORCA-job orca E -6506.763363794294
  N      -2.838214      1.864435      5.128689
  Mo     -4.081279      2.794519      6.344891
  N      -4.669792      1.754505      7.900675
  C      -3.832593      1.669554      9.105475
  C      -2.383755      1.540214      8.676937
  N      -2.109456      2.581746      7.654681
  C      -1.033853      2.183531      6.712763
  C      -1.614248      1.259442      5.662891
  C      -1.837372      3.897669      8.277854
  C      -2.240912      4.979004      7.301894
  N      -3.562562      4.649718      6.760292
  H      -0.883264      1.122385      4.848951
  H      -1.824863      0.258336      6.083337
  H      -0.663405      3.094715      6.224542
  H      -0.197888      1.712270      7.255502
  H      -2.284446      5.952755      7.817015
  H      -1.513807      5.078771      6.475650
  H      -2.458794      3.973891      9.180053
  H      -0.779553      3.978897      8.577207
  H      -4.115672      0.791990      9.702229
  H      -3.990885      2.564351      9.733729
  H      -2.248117      0.555324      8.213925
  H      -1.684343      1.639095      9.524170
  C      -2.637991     -4.473410      0.209079
  C      -2.460558     -3.217968      1.024982
  O      -1.350866     -2.743434      1.243716
  C      -3.684043     -2.555953      1.589160
  C      -4.987556     -2.993412      1.313004
  C      -6.088011     -2.355735      1.882954
  C      -5.874590     -1.302470      2.759958
  F      -6.950591     -0.701908      3.306130
  C      -4.582997     -0.827442      3.063276
  C      -4.366126      0.215495      4.095676
  O      -5.061460      0.268603      5.100666
  C      -3.280736      1.276873      3.881006
  C      -3.502911     -1.462536      2.443021
  C      -3.911392      9.724716     -0.436129
  C      -3.523572      8.546445      0.422594
  O      -2.759554      7.679635      0.014193
  C      -4.100174      8.450278      1.808038
  C      -5.003175      9.396083      2.323815
  C      -5.516317      9.256521      3.609572
  C      -5.118001      8.169279      4.377825
  F      -5.648289      8.064295      5.620548
  C      -4.213282      7.199106      3.911604
  C      -3.735179      6.003794      4.674601
  O      -2.997628      5.184830      4.142385
  C      -4.196738      5.791957      6.124677
  C      -3.722533      7.371721      2.609020
  C      -7.264240     -5.498772      4.130429
  C      -6.319901     -4.511717      4.773747
  O      -5.112053     -4.556629      4.560212
  C      -6.893769     -3.456123      5.670413
  C      -8.277257     -3.289151      5.860096
  C      -8.763751     -2.258911      6.659486
  C      -7.857152     -1.387886      7.253231
  F      -8.352716     -0.383516      8.017437
  C      -6.471028     -1.523783      7.106531
  C      -5.440862     -0.584968      7.650087
  O      -4.293268     -0.967494      7.826275
  C      -5.831350      0.884022      7.896278
  C      -6.014328     -2.581979      6.313234
  H      -1.656781     -4.845004     -0.103121
  H      -3.157178     -5.244476      0.798964
  H      -3.255439     -4.275391     -0.680670
  H      -5.156587     -3.837986      0.645109
  H      -7.108707     -2.671418      1.666251
  H      -3.752849      2.041489      3.238014
  H      -2.430224      0.875607      3.309221
  H      -2.477721     -1.152492      2.650538
  H      -3.629921     10.671552      0.049873
  H      -5.001139      9.752763     -0.590200
  H      -3.407499      9.646273     -1.404861
  H      -5.316001     10.249875      1.722418
  H      -6.221504      9.974312      4.028778
  H      -3.999161      6.709005      6.705280
  H      -5.288630      5.663808      6.108988
  H      -3.021450      6.635285      2.214101
  H      -7.849837     -6.038318      4.890064
  H      -6.687580     -6.213937      3.534806
  H      -7.984083     -4.976878      3.480720
  H      -8.987704     -3.961828      5.379382
  H      -9.831528     -2.115682      6.825180
  H      -6.362636      0.934032      8.865287
  H      -6.541539      1.198826      7.123094
  H      -4.940841     -2.703688      6.166768
  N      -5.507415      3.117987      5.408726
  H      -6.353391      3.353189      4.882851
88
Coordinates from ORCA-job orca E -6506.763445470553
  N      -2.852903      1.856311      5.132249
  Mo     -4.085227      2.799526      6.349748
  N      -4.672805      1.759333      7.904362
  C      -3.834242      1.673282      9.107573
  C      -2.386594      1.538515      8.675662
  N      -2.111202      2.577939      7.652254
  C      -1.041088      2.173968      6.707397
  C      -1.628454      1.249195      5.661756
  C      -1.831427      3.893548      8.272634
  C      -2.237059      4.976813      7.298881
  N      -3.564780      4.654784      6.768398
  H      -0.900011      1.110029      4.845783
  H      -1.839008      0.248162      6.082758
  H      -0.671454      3.082677      6.213647
  H      -0.202123      1.703494      7.246209
  H      -2.269550      5.951020      7.814266
  H      -1.513644      5.072370      6.468709
  H      -2.445847      3.973174      9.179348
  H      -0.771471      3.973764      8.564967
  H      -4.118968      0.797415      9.706229
  H      -3.988671      2.568988      9.735517
  H      -2.255856      0.553085      8.212340
  H      -1.684984      1.634163      9.521425
  C      -2.575523     -4.412316      0.142745
  C      -2.418515     -3.173146      0.987365
  O      -1.316028     -2.687392      1.217846
  C      -3.652008     -2.541163      1.564482
  C      -4.948300     -3.000967      1.290945
  C      -6.057758     -2.387340      1.869498
  C      -5.860606     -1.334449      2.750795
  F      -6.945720     -0.755404      3.301850
  C      -4.576433     -0.838681      3.053884
  C      -4.374820      0.202971      4.091014
  O      -5.075356      0.246711      5.092628
  C      -3.296269      1.274194      3.882230
  C      -3.487453     -1.451385      2.426402
  C      -3.903617      9.706306     -0.441294
  C      -3.528794      8.523560      0.417108
  O      -2.776387      7.647295      0.007465
  C      -4.100057      8.437798      1.805419
  C      -4.984194      9.399023      2.325542
  C      -5.492045      9.268784      3.614417
  C      -5.107590      8.175694      4.381621
  F      -5.633171      8.080394      5.627038
  C      -4.222380      7.190078      3.910737
  C      -3.760342      5.987302      4.671677
  O      -3.051733      5.148192      4.131470
  C      -4.199164      5.795597      6.131702
  C      -3.736623      7.353559      2.605180
  C      -7.302310     -5.506375      4.175041
  C      -6.353905     -4.514157      4.804005
  O      -5.147413     -4.560997      4.583500
  C      -6.920982     -3.453404      5.698792
  C      -8.303094     -3.281530      5.893977
  C      -8.782604     -2.246213      6.690922
  C      -7.870656     -1.375417      7.276847
  F      -8.360056     -0.366405      8.039122
  C      -6.485538     -1.516280      7.124792
  C      -5.450174     -0.578144      7.658266
  O      -4.304045     -0.963855      7.836989
  C      -5.836772      0.892314      7.900506
  C      -6.036120     -2.579371      6.333878
  H      -1.588279     -4.758374     -0.179701
  H      -3.078533     -5.206934      0.715150
  H      -3.198974     -4.206509     -0.740997
  H      -5.104683     -3.844485      0.618524
  H      -7.073284     -2.721032      1.655392
  H      -3.773802      2.041099      3.246165
  H      -2.444263      0.883850      3.305467
  H      -2.467146     -1.125161      2.632542
  H      -3.604494     10.649242      0.041875
  H      -4.993524      9.751899     -0.589536
  H      -3.406008      9.619001     -1.412528
  H      -5.286423     10.257459      1.725368
  H      -6.183072      9.998408      4.036794
  H      -3.984000      6.716245      6.699882
  H      -5.292630      5.677689      6.133987
  H      -3.050446      6.605092      2.206647
  H      -7.883150     -6.039549      4.942812
  H      -6.729295     -6.226209      3.581542
  H      -8.026446     -4.990244      3.525456
  H      -9.017673     -3.953926      5.418974
  H      -9.849168     -2.098599      6.860625
  H      -6.370015      0.945805      8.868278
  H      -6.544221      1.207570      7.125029
  H      -4.963765     -2.704738      6.182470
  N      -5.515847      3.108035      5.416751
  H      -6.371296      3.319910      4.896252
88
Coordinates from ORCA-job orca E -6506.763485705872
  N      -2.856624      1.847045      5.134989
  Mo     -4.082597      2.801138      6.351539
  N      -4.669461      1.761249      7.905918
  C      -3.829123      1.673865      9.107444
  C      -2.382609      1.534750      8.673119
  N      -2.106920      2.574020      7.649827
  C      -1.039469      2.168820      6.703465
  C      -1.629326      1.242653      5.660079
  C      -1.824669      3.889162      8.270060
  C      -2.233170      4.974796      7.299530
  N      -3.563066      4.656461      6.774686
  H      -0.902191      1.106098      4.842359
  H      -1.835843      0.240082      6.079458
  H      -0.672142      3.076494      6.205680
  H      -0.197531      1.701101      7.239949
  H      -2.260493      5.948079      7.817399
  H      -1.510988      5.071722      6.468194
  H      -2.434766      3.968942      9.179582
  H      -0.763632      3.970211      8.558341
  H      -4.115385      0.800014      9.708408
  H      -3.979299      2.570662      9.734786
  H      -2.256466      0.549296      8.208626
  H      -1.679212      1.626814      9.517763
  C      -2.506716     -4.359137      0.084333
  C      -2.367530     -3.135696      0.954477
  O      -1.272032     -2.637584      1.192223
  C      -3.609794     -2.531043      1.541951
  C      -4.898865     -3.010203      1.267953
  C      -6.016737     -2.418749      1.853180
  C      -5.835295     -1.367309      2.739591
  F      -6.929208     -0.807517      3.292505
  C      -4.558625     -0.852900      3.044610
  C      -4.371602      0.188478      4.085264
  O      -5.078494      0.225833      5.082479
  C      -3.298257      1.267198      3.882807
  C      -3.461237     -1.445358      2.411926
  C      -3.907105      9.691121     -0.444957
  C      -3.529984      8.511498      0.416832
  O      -2.782152      7.631545      0.006825
  C      -4.102955      8.427500      1.804486
  C      -4.983035      9.392569      2.324817
  C      -5.491053      9.264160      3.613766
  C      -5.111549      8.169356      4.380979
  F      -5.637990      8.075912      5.626135
  C      -4.231327      7.179682      3.909682
  C      -3.775402      5.974328      4.670267
  O      -3.085005      5.123249      4.125410
  C      -4.199215      5.795319      6.136610
  C      -3.745177      7.341223      2.603944
  C      -7.369732     -5.497996      4.209353
  C      -6.410298     -4.511263      4.829974
  O      -5.207043     -4.559984      4.592710
  C      -6.963945     -3.445647      5.727409
  C      -8.343359     -3.266554      5.934857
  C      -8.810203     -2.227060      6.733818
  C      -7.888742     -1.359330      7.309274
  F      -8.366620     -0.346869      8.074459
  C      -6.505594     -1.507011      7.144658
  C      -5.460572     -0.573617      7.666941
  O      -4.313026     -0.962632      7.828857
  C      -5.837647      0.899732      7.906304
  C      -6.069098     -2.574217      6.351849
  H      -1.514755     -4.680450     -0.249123
  H      -2.992331     -5.174989      0.641681
  H      -3.137853     -4.147201     -0.792438
  H      -5.042913     -3.851703      0.590217
  H      -7.027104     -2.767780      1.639135
  H      -3.777632      2.034726      3.249051
  H      -2.443746      0.883603      3.305587
  H      -2.445784     -1.105092      2.618557
  H      -3.604537     10.635416      0.033448
  H      -4.997458      9.738305     -0.589215
  H      -3.413156      9.599542     -1.417664
  H      -5.281545     10.252613      1.725101
  H      -6.178972      9.996839      4.035972
  H      -3.973410      6.719144      6.695411
  H      -5.293264      5.683548      6.151725
  H      -3.062647      6.589569      2.205087
  H      -7.946473     -6.028245      4.982159
  H      -6.806041     -6.220296      3.609961
  H      -8.097087     -4.977837      3.566520
  H      -9.065454     -3.936529      5.467856
  H      -9.874386     -2.073799      6.913218
  H      -6.368986      0.958468      8.874746
  H      -6.544938      1.216766      7.131446
  H      -4.998870     -2.705026      6.190394
  N      -5.516429      3.095204      5.420220
  H      -6.379391      3.283188      4.902925
88
Coordinates from ORCA-job orca E -6506.763513727031
  N      -2.872455      1.843174      5.135871
  Mo     -4.089525      2.802793      6.356182
  N      -4.668768      1.761837      7.911755
  C      -3.823300      1.674224      9.109799
  C      -2.378447      1.534828      8.669696
  N      -2.107942      2.573757      7.644404
  C      -1.045663      2.167455      6.693007
  C      -1.642309      1.239311      5.654673
  C      -1.823692      3.889316      8.263500
  C      -2.237994      4.975859      7.296310
  N      -3.570117      4.658195      6.778520
  H      -0.919801      1.101803      4.832992
  H      -1.846304      0.237061      6.075812
  H      -0.681371      3.073832      6.190465
  H      -0.200435      1.701483      7.225716
  H      -2.262622      5.948481      7.815904
  H      -1.519171      5.074921      6.462124
  H      -2.429674      3.968217      9.175798
  H      -0.761473      3.971149      8.547046
  H      -4.107410      0.800927      9.712587
  H      -3.970264      2.571376      9.737342
  H      -2.255002      0.549055      8.205219
  H      -1.671302      1.627057      9.511101
  C      -2.455030     -4.297140      0.023320
  C      -2.332585     -3.088664      0.916520
  O      -1.244243     -2.577060      1.158926
  C      -3.582121     -2.514545      1.518783
  C      -4.863568     -3.015421      1.247850
  C      -5.988790     -2.449306      1.843973
  C      -5.822263     -1.400123      2.736006
  F      -6.923989     -0.863022      3.295646
  C      -4.553774     -0.864156      3.038548
  C      -4.380567      0.176653      4.082875
  O      -5.089927      0.203836      5.078626
  C      -3.317251      1.267245      3.882791
  C      -3.449144     -1.433378      2.396934
  C      -3.873387      9.686624     -0.443758
  C      -3.507520      8.503956      0.418750
  O      -2.751557      7.627246      0.016815
  C      -4.092298      8.419158      1.801383
  C      -4.974419      9.385575      2.316066
  C      -5.493096      9.256237      3.600610
  C      -5.122099      8.159772      4.369483
  F      -5.658909      8.065463      5.610148
  C      -4.240870      7.168497      3.903712
  C      -3.794445      5.960690      4.665880
  O      -3.113953      5.101469      4.121560
  C      -4.208027      5.794199      6.136820
  C      -3.743944      7.330735      2.601989
  C      -7.416872     -5.503048      4.249070
  C      -6.449615     -4.514523      4.854597
  O      -5.248003     -4.570642      4.610899
  C      -6.991669     -3.446518      5.756221
  C      -8.368431     -3.264369      5.978099
  C      -8.824527     -2.222270      6.779858
  C      -7.895251     -1.355367      7.343739
  F      -8.362860     -0.339955      8.111381
  C      -6.514168     -1.505975      7.164606
  C      -5.461964     -0.573245      7.673183
  O      -4.313797     -0.963850      7.826493
  C      -5.836597      0.899909      7.917235
  C      -6.088436     -2.575671      6.369271
  H      -1.459445     -4.592950     -0.322727
  H      -2.921022     -5.133313      0.567052
  H      -3.096036     -4.080129     -0.844967
  H      -4.995790     -3.854091      0.564248
  H      -6.993632     -2.815633      1.632934
  H      -3.806338      2.034857      3.256838
  H      -2.462591      0.895050      3.298682
  H      -2.438878     -1.076837      2.601117
  H      -3.574797     10.629111      0.040752
  H      -4.961986      9.735761     -0.599855
  H      -3.368703      9.597275     -1.411138
  H      -5.265981     10.247344      1.715425
  H      -6.182982      9.989886      4.017918
  H      -3.975145      6.721952      6.686362
  H      -5.302228      5.686387      6.161795
  H      -3.060333      6.577803      2.207390
  H      -7.988947     -6.026000      5.030259
  H      -6.860205     -6.231072      3.650030
  H      -8.147791     -4.985248      3.608398
  H      -9.096726     -3.933799      5.520084
  H      -9.886413     -2.066389      6.970270
  H      -6.363696      0.957972      8.887987
  H      -6.547555      1.217482      7.145861
  H      -5.020327     -2.708773      6.196178
  N      -5.529804      3.082287      5.431406
  H      -6.400007      3.248426      4.918711
88
Coordinates from ORCA-job orca E -6506.763529979146
  N      -2.886706      1.840721      5.135254
  Mo     -4.095543      2.805321      6.358313
  N      -4.671922      1.764344      7.914427
  C      -3.822821      1.673908      9.109881
  C      -2.379329      1.532819      8.665295
  N      -2.110662      2.571970      7.639446
  C      -1.052613      2.164255      6.683967
  C      -1.655112      1.235624      5.649246
  C      -1.822959      3.886945      8.258988
  C      -2.239370      4.975325      7.294818
  N      -3.573179      4.659504      6.780819
  H      -0.936761      1.096420      4.824249
  H      -1.858722      0.234227      6.072322
  H      -0.689445      3.069712      6.179020
  H      -0.206087      1.697781      7.214194
  H      -2.261977      5.947019      7.816382
  H      -1.522979      5.075573      6.458600
  H      -2.426740      3.964941      9.172839
  H      -0.759898      3.966588      8.539803
  H      -4.106655      0.800296      9.712325
  H      -3.966600      2.570672      9.738783
  H      -2.259157      0.546992      8.199973
  H      -1.669258      1.623760      9.504288
  C      -2.417729     -4.251156     -0.018933
  C      -2.307910     -3.052742      0.889440
  O      -1.224868     -2.532541      1.137577
  C      -3.562892     -2.500611      1.500655
  C      -4.838291     -3.017803      1.231238
  C      -5.969107     -2.469943      1.833809
  C      -5.814346     -1.421726      2.729158
  F      -6.922165     -0.901497      3.292785
  C      -4.552457     -0.870020      3.031038
  C      -4.390683      0.170409      4.078236
  O      -5.102926      0.190158      5.071928
  C      -3.334531      1.269393      3.881260
  C      -3.442233     -1.422483      2.384311
  C      -3.852863      9.682032     -0.444241
  C      -3.490911      8.499437      0.419964
  O      -2.734237      7.621926      0.021066
  C      -4.082162      8.414550      1.799841
  C      -4.964227      9.382628      2.311581
  C      -5.488788      9.253483      3.593740
  C      -5.123441      8.155720      4.363327
  F      -5.665274      8.061383      5.601812
  C      -4.243009      7.162505      3.900308
  C      -3.803321      5.953285      4.663555
  O      -3.134561      5.085628      4.118141
  C      -4.210383      5.794989      6.137253
  C      -3.740200      7.324320      2.600734
  C      -7.444020     -5.509466      4.281245
  C      -6.471896     -4.522914      4.882402
  O      -5.272126     -4.579103      4.630015
  C      -7.008056     -3.451183      5.782982
  C      -8.383348     -3.267499      6.012326
  C      -8.834087     -2.221886      6.812514
  C      -7.901019     -1.353055      7.366988
  F      -8.363651     -0.334165      8.133041
  C      -6.521039     -1.505040      7.180277
  C      -5.465255     -0.571077      7.679255
  O      -4.317340     -0.962465      7.831936
  C      -5.839189      0.902039      7.923221
  C      -6.100656     -2.578235      6.386865
  H      -1.419575     -4.529225     -0.372257
  H      -2.870377     -5.100815      0.515072
  H      -3.064734     -4.031108     -0.881972
  H      -4.961255     -3.854760      0.543858
  H      -6.969438     -2.849471      1.624723
  H      -3.831021      2.037797      3.262396
  H      -2.480167      0.905882      3.291432
  H      -2.436109     -1.054130      2.587803
  H      -3.554786     10.624432      0.040746
  H      -4.940973      9.731965     -0.603517
  H      -3.345322      9.591716     -1.410033
  H      -5.250961     10.245660      1.710438
  H      -6.178820      9.988460      4.008476
  H      -3.971202      6.724807      6.680801
  H      -5.304810      5.691369      6.169106
  H      -3.056998      6.569883      2.208313
  H      -8.014507     -6.030345      5.064937
  H      -6.891553     -6.239301      3.680523
  H      -8.175900     -4.990096      3.642871
  H      -9.114697     -3.938426      5.561447
  H      -9.894727     -2.064750      7.008786
  H      -6.364330      0.961067      8.894906
  H      -6.551990      1.218395      7.152843
  H      -5.033685     -2.712682      6.207976
  N      -5.540096      3.076508      5.438114
  H      -6.414636      3.227657      4.928071
88
Coordinates from ORCA-job orca E -6506.763554678400
  N      -2.891843      1.835735      5.125040
  Mo     -4.096118      2.803331      6.348895
  N      -4.670473      1.762573      7.906248
  C      -3.816480      1.666973      9.098068
  C      -2.374665      1.526939      8.648121
  N      -2.109043      2.569949      7.625129
  C      -1.052429      2.167539      6.665995
  C      -1.654357      1.237136      5.632677
  C      -1.822560      3.883712      8.248654
  C      -2.242708      4.974865      7.289192
  N      -3.575519      4.656847      6.774313
  H      -0.939502      1.103223      4.803841
  H      -1.850898      0.234382      6.055617
  H      -0.694238      3.074990      6.161218
  H      -0.203256      1.703480      7.194241
  H      -2.268711      5.943971      7.815425
  H      -1.527451      5.081470      6.452744
  H      -2.425721      3.956811      9.163310
  H      -0.759248      3.962899      8.528369
  H      -4.099080      0.791602      9.698441
  H      -3.957275      2.561903      9.730342
  H      -2.257139      0.542733      8.178617
  H      -1.661416      1.614826      9.484680
  C      -2.348461     -4.217373     -0.052886
  C      -2.255400     -3.024090      0.864115
  O      -1.179759     -2.490685      1.116686
  C      -3.517997     -2.495952      1.480238
  C      -4.784807     -3.034809      1.211932
  C      -5.923524     -2.508040      1.818097
  C      -5.785507     -1.458112      2.714208
  F      -6.902038     -0.958151      3.278740
  C      -4.532956     -0.885469      3.016137
  C      -4.387473      0.157926      4.063581
  O      -5.105371      0.172240      5.053049
  C      -3.339729      1.265806      3.870494
  C      -3.414664     -1.418697      2.366951
  C      -3.838679      9.704418     -0.431662
  C      -3.478375      8.518765      0.428941
  O      -2.718730      7.644024      0.029483
  C      -4.077036      8.425685      1.805114
  C      -4.962243      9.390515      2.317504
  C      -5.493553      9.254460      3.596176
  C      -5.131266      8.152994      4.361707
  F      -5.678298      8.051523      5.597338
  C      -4.248515      7.162324      3.897605
  C      -3.813366      5.949634      4.657147
  O      -3.147855      5.080833      4.109535
  C      -4.215558      5.791727      6.132147
  C      -3.738909      7.330905      2.601512
  C      -7.522402     -5.518861      4.333889
  C      -6.537901     -4.531393      4.913344
  O      -5.342515     -4.592670      4.641688
  C      -7.056070     -3.454351      5.818071
  C      -8.426800     -3.266882      6.070205
  C      -8.861789     -2.215982      6.872257
  C      -7.917779     -1.345911      7.405785
  F      -8.365854     -0.322725      8.175020
  C      -6.541280     -1.501917      7.196704
  C      -5.474518     -0.570106      7.676685
  O      -4.325634     -0.964688      7.812449
  C      -5.840378      0.904371      7.922354
  C      -6.136651     -2.580165      6.401880
  H      -1.347185     -4.475834     -0.412254
  H      -2.784084     -5.078764      0.476640
  H      -3.002683     -4.001590     -0.911541
  H      -4.894489     -3.872128      0.522811
  H      -6.917422     -2.905121      1.611062
  H      -3.842462      2.032802      3.255198
  H      -2.483736      0.909870      3.278560
  H      -2.414399     -1.034842      2.570344
  H      -3.543972     10.645250      0.058355
  H      -4.926326      9.752852     -0.594612
  H      -3.327434      9.618879     -1.395926
  H      -5.245975     10.256665      1.719438
  H      -6.186089      9.987008      4.011026
  H      -3.974168      6.722633      6.673182
  H      -5.309713      5.687814      6.169556
  H      -3.053644      6.578694      2.208472
  H      -8.083729     -6.031725      5.129348
  H      -6.981535     -6.255275      3.730654
  H      -8.261044     -5.000987      3.702050
  H      -9.167111     -3.938727      5.635646
  H      -9.918589     -2.055901      7.086080
  H      -6.359014      0.966484      8.897264
  H      -6.557465      1.222315      7.156416
  H      -5.073099     -2.718002      6.206119
  N      -5.544593      3.063667      5.431710
  H      -6.422631      3.197436      4.922744
88
Coordinates from ORCA-job orca E -6506.763582868270
  N      -2.894155      1.836010      5.113470
  Mo     -4.095045      2.799312      6.342421
  N      -4.665096      1.755488      7.899772
  C      -3.805015      1.650826      9.086760
  C      -2.365342      1.515418      8.629134
  N      -2.105719      2.565393      7.611780
  C      -1.049934      2.172886      6.647454
  C      -1.649938      1.243736      5.612114
  C      -1.821685      3.876726      8.242321
  C      -2.244856      4.972368      7.289248
  N      -3.575367      4.651714      6.769728
  H      -0.938788      1.118953      4.778806
  H      -1.838161      0.237920      6.031511
  H      -0.698008      3.084803      6.146510
  H      -0.197441      1.710298      7.171765
  H      -2.276905      5.937311      7.822684
  H      -1.529287      5.088525      6.454360
  H      -2.425191      3.943101      9.157265
  H      -0.758451      3.955215      8.522317
  H      -4.084643      0.770787      9.681596
  H      -3.943481      2.540932      9.726398
  H      -2.249377      0.534542      8.152330
  H      -1.647774      1.599085      9.462411
  C      -2.261730     -4.175053     -0.084119
  C      -2.188858     -2.984496      0.838395
  O      -1.123098     -2.431477      1.090822
  C      -3.460362     -2.482767      1.457741
  C      -4.716523     -3.047092      1.190815
  C      -5.864099     -2.545822      1.801320
  C      -5.745914     -1.494587      2.698748
  F      -6.871835     -1.020373      3.266590
  C      -4.505042     -0.896498      2.999530
  C      -4.378837      0.149646      4.047216
  O      -5.102199      0.156388      5.032731
  C      -3.343369      1.270135      3.857795
  C      -3.377492     -1.406133      2.347063
  C      -3.833679      9.714372     -0.424434
  C      -3.474447      8.526504      0.433489
  O      -2.710025      7.655522      0.034869
  C      -4.077128      8.428225      1.807606
  C      -4.966128      9.389582      2.319712
  C      -5.501278      9.249350      3.596385
  C      -5.138273      8.147065      4.360268
  F      -5.688551      8.040794      5.594059
  C      -4.251934      7.159450      3.896194
  C      -3.816680      5.946111      4.654317
  O      -3.155968      5.075159      4.104085
  C      -4.217216      5.786807      6.129381
  C      -3.738939      7.331929      2.601980
  C      -7.627877     -5.523960      4.389375
  C      -6.626998     -4.535555      4.938710
  O      -5.439311     -4.599666      4.635346
  C      -7.119847     -3.453368      5.851319
  C      -8.483559     -3.260901      6.135356
  C      -8.896452     -2.205042      6.942693
  C      -7.937583     -1.335897      7.450442
  F      -8.364956     -0.307865      8.225253
  C      -6.566642     -1.497726      7.210633
  C      -5.485271     -0.571831      7.669221
  O      -4.335855     -0.972146      7.781046
  C      -5.839391      0.903902      7.922233
  C      -6.184156     -2.579802      6.410015
  H      -1.257157     -4.411605     -0.449361
  H      -2.677159     -5.047456      0.443657
  H      -2.924159     -3.968052     -0.938608
  H      -4.810370     -3.885112      0.500291
  H      -6.849809     -2.964215      1.597430
  H      -3.857011      2.035916      3.250234
  H      -2.486376      0.927020      3.259971
  H      -2.384657     -1.003182      2.549685
  H      -3.543285     10.654322      0.069763
  H      -4.920857      9.760164     -0.591309
  H      -3.318603      9.633132     -1.387019
  H      -5.250005     10.256395      1.722678
  H      -6.197075      9.979193      4.010497
  H      -3.974375      6.717911      6.669531
  H      -5.311143      5.682365      6.170364
  H      -3.051066      6.582078      2.209058
  H      -8.172406     -6.029553      5.200920
  H      -7.103547     -6.266348      3.778917
  H      -8.378925     -5.007623      3.770991
  H      -9.236068     -3.932108      5.721269
  H      -9.947469     -2.040743      7.180434
  H      -6.350036      0.966974      8.901236
  H      -6.561336      1.227518      7.163003
  H      -5.125809     -2.721991      6.190703
  N      -5.548331      3.050904      5.430016
  H      -6.428170      3.172347      4.921030
88
Coordinates from ORCA-job orca E -6506.763610228753
  N      -2.906325      1.838734      5.097731
  Mo     -4.101478      2.794457      6.336071
  N      -4.663636      1.747107      7.894144
  C      -3.796014      1.633573      9.074954
  C      -2.359293      1.503410      8.606771
  N      -2.108246      2.559505      7.594037
  C      -1.055096      2.175950      6.622656
  C      -1.656018      1.250007      5.585170
  C      -1.824256      3.868498      8.230164
  C      -2.250552      4.968318      7.283157
  N      -3.580103      4.645749      6.761038
  H      -0.949870      1.133522      4.746556
  H      -1.837285      0.241082      6.000319
  H      -0.709057      3.092359      6.125971
  H      -0.198736      1.713300      7.140651
  H      -2.287129      5.929437      7.823016
  H      -1.535519      5.092536      6.449048
  H      -2.426391      3.930066      9.146380
  H      -0.760586      3.945765      8.508797
  H      -4.070883      0.747951      9.663727
  H      -3.932121      2.517860      9.723175
  H      -2.244931      0.525744      8.122990
  H      -1.635836      1.583549      9.435323
  C      -2.174439     -4.128127     -0.112816
  C      -2.125846     -2.938925      0.813408
  O      -1.071633     -2.364910      1.067497
  C      -3.407351     -2.465868      1.434720
  C      -4.651222     -3.057915      1.169234
  C      -5.807993     -2.585043      1.784434
  C      -5.711794     -1.533238      2.683899
  F      -6.847150     -1.087864      3.256096
  C      -4.484454     -0.906718      2.982499
  C      -4.379824      0.142220      4.029789
  O      -5.107200      0.139901      5.012534
  C      -3.360279      1.278583      3.841526
  C      -3.347102     -1.389734      2.326197
  C      -3.813216      9.731234     -0.414854
  C      -3.458772      8.539957      0.440331
  O      -2.700349      7.665202      0.038563
  C      -4.067673      8.437233      1.811464
  C      -4.954988      9.399495      2.324424
  C      -5.495536      9.255977      3.598566
  C      -5.139240      8.149056      4.358922
  F      -5.694575      8.039299      5.590153
  C      -4.255143      7.159946      3.893505
  C      -3.827249      5.941519      4.647725
  O      -3.167395      5.070913      4.095592
  C      -4.224038      5.781383      6.123435
  C      -3.736851      7.335868      2.601976
  C      -7.718767     -5.543731      4.459670
  C      -6.707111     -4.543939      4.967306
  O      -5.529071     -4.604532      4.627687
  C      -7.176788     -3.457265      5.886471
  C      -8.532969     -3.263500      6.203286
  C      -8.926043     -2.203098      7.014617
  C      -7.954947     -1.332422      7.495478
  F      -8.363911     -0.299838      8.274268
  C      -6.589901     -1.497204      7.225335
  C      -5.496620     -0.576166      7.664907
  O      -4.346816     -0.980635      7.754848
  C      -5.841185      0.900705      7.922648
  C      -6.227420     -2.581868      6.418935
  H      -1.165653     -4.342475     -0.480166
  H      -2.570627     -5.010428      0.413194
  H      -2.842255     -3.932203     -0.965663
  H      -4.727684     -3.896550      0.477351
  H      -6.784011     -3.027035      1.584197
  H      -3.889980      2.043089      3.246507
  H      -2.504130      0.953285      3.232906
  H      -2.363056     -0.965047      2.527220
  H      -3.520832     10.669093      0.082012
  H      -4.900123      9.780189     -0.582880
  H      -3.297353      9.650835     -1.377091
  H      -5.233338     10.269824      1.729898
  H      -6.190298      9.986608      4.012967
  H      -3.978957      6.712043      6.663210
  H      -5.317823      5.676711      6.168397
  H      -3.050521      6.585036      2.208271
  H      -8.237552     -6.041344      5.292661
  H      -7.208681     -6.291673      3.843925
  H      -8.489355     -5.038422      3.856371
  H      -9.295633     -3.936361      5.811040
  H      -9.971071     -2.036915      7.276254
  H      -6.345367      0.964762      8.904869
  H      -6.567182      1.228517      7.168827
  H      -5.174529     -2.725840      6.175873
  N      -5.561391      3.038891      5.431715
  H      -6.442742      3.153464      4.923753
88
Coordinates from ORCA-job orca E -6506.763643405399
  N      -2.912460      1.835318      5.082447
  Mo     -4.101799      2.790582      6.325357
  N      -4.662435      1.742483      7.883642
  C      -3.791130      1.621172      9.060717
  C      -2.356586      1.490505      8.586576
  N      -2.107563      2.549890      7.577301
  C      -1.056405      2.169424      6.602293
  C      -1.659131      1.247179      5.562670
  C      -1.820618      3.856727      8.216743
  C      -2.246297      4.960302      7.273320
  N      -3.576533      4.640239      6.750374
  H      -0.955752      1.135636      4.721082
  H      -1.837309      0.235973      5.973761
  H      -0.711817      3.087970      6.108518
  H      -0.198383      1.705104      7.116020
  H      -2.282304      5.919394      7.816692
  H      -1.531183      5.086801      6.439690
  H      -2.420864      3.917294      9.134251
  H      -0.756374      3.931584      8.493932
  H      -4.065205      0.732547      9.645477
  H      -3.923847      2.501661      9.714724
  H      -2.245572      0.514701      8.098169
  H      -1.629940      1.565588      9.412871
  C      -2.083718     -4.093612     -0.132253
  C      -2.058523     -2.909805      0.801976
  O      -1.014604     -2.321128      1.064985
  C      -3.350538     -2.460348      1.419277
  C      -4.582854     -3.074558      1.149712
  C      -5.749228     -2.624079      1.763016
  C      -5.674831     -1.571578      2.663834
  F      -6.820026     -1.148377      3.232464
  C      -4.460054     -0.921928      2.965705
  C      -4.377529      0.131159      4.010759
  O      -5.111836      0.124349      4.988465
  C      -3.368902      1.278985      3.825253
  C      -3.312339     -1.384196      2.311773
  C      -3.816971      9.755819     -0.403647
  C      -3.466172      8.557949      0.443875
  O      -2.709597      7.684066      0.036843
  C      -4.071512      8.450791      1.816286
  C      -4.953862      9.413675      2.336451
  C      -5.490816      9.266341      3.611766
  C      -5.135802      8.154701      4.365897
  F      -5.687463      8.041092      5.598422
  C      -4.256480      7.164910      3.893134
  C      -3.829748      5.942335      4.641361
  O      -3.178161      5.069834      4.082295
  C      -4.221615      5.778220      6.117935
  C      -3.741840      7.344750      2.600797
  C      -7.809298     -5.560073      4.529577
  C      -6.789284     -4.547444      4.993046
  O      -5.622680     -4.602313      4.614878
  C      -7.236223     -3.455480      5.917033
  C      -8.584582     -3.258377      6.263548
  C      -8.958084     -2.192449      7.076927
  C      -7.975278     -1.321192      7.531959
  F      -8.366186     -0.283829      8.313834
  C      -6.616308     -1.491020      7.234588
  C      -5.511250     -0.575360      7.655134
  O      -4.362953     -0.986677      7.731994
  C      -5.844773      0.903339      7.915396
  C      -6.273760     -2.579625      6.424681
  H      -1.070004     -4.289487     -0.496302
  H      -2.468109     -4.985371      0.386480
  H      -2.750940     -3.903111     -0.986764
  H      -4.642488     -3.913484      0.456467
  H      -6.716213     -3.084746      1.561430
  H      -3.908587      2.042769      3.238678
  H      -2.512491      0.966968      3.210408
  H      -2.336529     -0.941999      2.514967
  H      -3.520956     10.689646      0.098644
  H      -4.903797      9.809675     -0.570657
  H      -3.302098      9.679464     -1.366750
  H      -5.231207     10.287544      1.746656
  H      -6.181795      9.997402      4.031671
  H      -3.974162      6.706651      6.660175
  H      -5.315486      5.674188      6.165480
  H      -3.059160      6.593511      2.201575
  H      -8.299689     -6.049314      5.384409
  H      -7.313100     -6.313243      3.908828
  H      -8.600844     -5.067864      3.942776
  H      -9.356846     -3.932288      5.892445
  H      -9.996914     -2.022753      7.360123
  H      -6.345844      0.969764      8.899071
  H      -6.571327      1.236117      7.164241
  H      -5.226565     -2.726841      6.160012
  N      -5.564899      3.031302      5.424772
  H      -6.447126      3.141043      4.917302
88
Coordinates from ORCA-job orca E -6506.763690997019
  N      -2.929805      1.837164      5.066169
  Mo     -4.108871      2.788257      6.320710
  N      -4.661375      1.735787      7.878618
  C      -3.784316      1.606636      9.049953
  C      -2.353234      1.475748      8.566067
  N      -2.108929      2.538214      7.559414
  C      -1.063961      2.159066      6.576862
  C      -1.674839      1.243975      5.535547
  C      -1.815615      3.842313      8.200941
  C      -2.242568      4.950065      7.262318
  N      -3.576880      4.636290      6.745484
  H      -0.976098      1.135555      4.689615
  H      -1.852451      0.230311      5.941070
  H      -0.719909      3.079240      6.085571
  H      -0.203280      1.690422      7.081966
  H      -2.272032      5.908192      7.807698
  H      -1.530410      5.074871      6.425942
  H      -2.409666      3.902837      9.122458
  H      -0.749639      3.915184      8.472218
  H      -4.055230      0.714138      9.630585
  H      -3.912531      2.482319      9.711102
  H      -2.246370      0.501629      8.073211
  H      -1.621666      1.545145      9.388612
  C      -1.990225     -4.046047     -0.148951
  C      -1.992906     -2.870691      0.796330
  O      -0.960826     -2.267436      1.072894
  C      -3.297155     -2.447201      1.406839
  C      -4.516392     -3.084155      1.130395
  C      -5.693587     -2.658215      1.740409
  C      -5.643574     -1.606375      2.643970
  F      -6.798215     -1.209101      3.211326
  C      -4.443034     -0.932220      2.950404
  C      -4.385610      0.124359      3.992876
  O      -5.124905      0.111059      4.966802
  C      -3.393786      1.288569      3.807935
  C      -3.283630     -1.371553      2.300581
  C      -3.815859      9.765079     -0.398363
  C      -3.473929      8.560795      0.443800
  O      -2.727207      7.681220      0.031015
  C      -4.072363      8.456781      1.819453
  C      -4.941920      9.427261      2.346998
  C      -5.472468      9.282384      3.625302
  C      -5.124062      8.165503      4.374960
  F      -5.670325      8.054478      5.610082
  C      -4.256967      7.168510      3.894987
  C      -3.835694      5.941249      4.639081
  O      -3.196229      5.063709      4.073975
  C      -4.220728      5.777279      6.117680
  C      -3.748732      7.346104      2.599933
  C      -7.885602     -5.583886      4.604510
  C      -6.863095     -4.552201      5.016907
  O      -5.710282     -4.596572      4.597259
  C      -7.289551     -3.454432      5.943410
  C      -8.630628     -3.252782      6.314525
  C      -8.986559     -2.180984      7.127941
  C      -7.993273     -1.310683      7.560978
  F      -8.368172     -0.268016      8.343441
  C      -6.639892     -1.486861      7.241806
  C      -5.524630     -0.577608      7.648539
  O      -4.378536     -0.996569      7.716760
  C      -5.847767      0.902636      7.912531
  C      -6.315408     -2.579352      6.429511
  H      -0.969915     -4.222965     -0.504042
  H      -2.366580     -4.948380      0.357117
  H      -2.651813     -3.858353     -1.008472
  H      -4.557328     -3.922242      0.434653
  H      -6.650238     -3.138517      1.535774
  H      -3.951461      2.052163      3.238598
  H      -2.540163      0.998496      3.179027
  H      -2.317369     -0.910447      2.507370
  H      -3.508614     10.694130      0.106098
  H      -4.902533      9.831172     -0.561797
  H      -3.304948      9.686929     -1.363446
  H      -5.214454     10.305078      1.760812
  H      -6.153692     10.019056      4.051299
  H      -3.969638      6.702968      6.662320
  H      -5.315091      5.676085      6.166148
  H      -3.075496      6.589349      2.195083
  H      -8.342045     -6.062898      5.483619
  H      -7.401075     -6.342266      3.980812
  H      -8.701825     -5.111745      4.035344
  H      -9.411187     -3.927275      5.962263
  H     -10.019718     -2.006245      7.428293
  H      -6.346289      0.969189      8.897522
  H      -6.574287      1.241241      7.163985
  H      -5.273471     -2.730903      6.147288
  N      -5.578285      3.030230      5.430304
  H      -6.461453      3.141240      4.924804
88
Coordinates from ORCA-job orca E -6506.763733568077
  N      -2.949587      1.836176      5.048827
  Mo     -4.116939      2.786706      6.313353
  N      -4.661052      1.730395      7.871117
  C      -3.777288      1.594292      9.036125
  C      -2.349769      1.462314      8.542505
  N      -2.109891      2.527758      7.538009
  C      -1.072318      2.148715      6.547675
  C      -1.693066      1.238313      5.507785
  C      -1.811008      3.829473      8.181637
  C      -2.241840      4.941036      7.248898
  N      -3.581024      4.633544      6.741146
  H      -0.999987      1.130804      4.656991
  H      -1.870102      0.223369      5.910326
  H      -0.728918      3.069095      6.056213
  H      -0.209112      1.676641      7.045086
  H      -2.263470      5.898525      7.795827
  H      -1.534612      5.063994      6.408041
  H      -2.398462      3.888133      9.107467
  H      -0.743186      3.901252      8.445980
  H      -4.045564      0.699236      9.614274
  H      -3.899699      2.466691      9.702644
  H      -2.248080      0.489551      8.045658
  H      -1.613050      1.526134      9.360899
  C      -1.900423     -4.003245     -0.160381
  C      -1.929449     -2.835539      0.793637
  O      -0.909052     -2.218395      1.083041
  C      -3.244974     -2.437783      1.396893
  C      -4.450246     -3.097621      1.113179
  C      -5.638295     -2.695806      1.718277
  C      -5.613406     -1.644049      2.623058
  F      -6.777669     -1.271103      3.186156
  C      -4.427995     -0.945493      2.934678
  C      -4.396047      0.114994      3.973958
  O      -5.140477      0.094761      4.943980
  C      -3.420992      1.294967      3.789805
  C      -3.256875     -1.362405      2.290891
  C      -3.808413      9.778166     -0.389761
  C      -3.474987      8.568354      0.447902
  O      -2.736688      7.683815      0.030622
  C      -4.069845      8.465999      1.825150
  C      -4.928605      9.443001      2.358515
  C      -5.456248      9.298917      3.638052
  C      -5.115851      8.176564      4.383271
  F      -5.659841      8.066475      5.619456
  C      -4.259340      7.173280      3.897608
  C      -3.845448      5.940805      4.637219
  O      -3.218142      5.058050      4.066836
  C      -4.223996      5.777163      6.117835
  C      -3.753932      7.350161      2.601354
  C      -7.956973     -5.599792      4.670715
  C      -6.933560     -4.552226      5.037565
  O      -5.795761     -4.585756      4.577499
  C      -7.339609     -3.452636      5.971137
  C      -8.672610     -3.249745      6.369637
  C      -9.011357     -2.175107      7.186623
  C      -8.008829     -1.304771      7.597580
  F      -8.367897     -0.260242      8.385086
  C      -6.661887     -1.483544      7.252678
  C      -5.537098     -0.578138      7.641443
  O      -4.391978     -1.001889      7.695091
  C      -5.851061      0.902896      7.910526
  C      -6.355012     -2.577567      6.435448
  H      -0.874560     -4.161120     -0.508290
  H      -2.266760     -4.915567      0.335244
  H      -2.558361     -3.819751     -1.023641
  H      -4.471646     -3.935212      0.415918
  H      -6.584130     -3.195270      1.509589
  H      -3.996393      2.057467      3.237391
  H      -2.570471      1.025957      3.147710
  H      -2.300593     -0.883125      2.502634
  H      -3.491594     10.702784      0.116975
  H      -4.894717      9.855080     -0.550730
  H      -3.300241      9.698591     -1.356181
  H      -5.194966     10.325192      1.776078
  H      -6.129296     10.040289      4.068888
  H      -3.969956      6.700779      6.664338
  H      -5.318716      5.678417      6.167363
  H      -3.088824      6.588664      2.191957
  H      -8.379533     -6.072140      5.570151
  H      -7.484408     -6.360435      4.040604
  H      -8.796521     -5.144313      4.122319
  H      -9.460415     -3.925055      6.035530
  H     -10.038157     -1.998270      7.506883
  H      -6.343379      0.969301      8.898603
  H      -6.580486      1.246546      7.167081
  H      -5.319105     -2.730483      6.132632
  N      -5.592489      3.028501      5.433078
  H      -6.477753      3.137996      4.930873
88
Coordinates from ORCA-job orca E -6506.763782003904
  N      -2.981978      1.831985      5.029586
  Mo     -4.131086      2.784869      6.308118
  N      -4.659332      1.724841      7.867766
  C      -3.765398      1.584684      9.023766
  C      -2.342945      1.449176      8.516422
  N      -2.109549      2.515013      7.510299
  C      -1.085969      2.131005      6.507930
  C      -1.725196      1.224781      5.475206
  C      -1.801162      3.815392      8.151349
  C      -2.239656      4.928786      7.224227
  N      -3.588014      4.630959      6.737282
  H      -1.041553      1.112345      4.617224
  H      -1.904509      0.210643      5.878468
  H      -0.742336      3.048608      6.011402
  H      -0.219615      1.653972      6.994970
  H      -2.244885      5.888040      7.768718
  H      -1.543351      5.044011      6.373074
  H      -2.377381      3.873785      9.084216
  H      -0.730208      3.886825      8.403010
  H      -4.030274      0.689829      9.603984
  H      -3.878028      2.456706      9.692564
  H      -2.249030      0.476286      8.018154
  H      -1.598572      1.509027      9.328096
  C      -1.804714     -3.956726     -0.160691
  C      -1.866722     -2.795308      0.799047
  O      -0.862282     -2.156152      1.097051
  C      -3.194217     -2.431005      1.396537
  C      -4.381440     -3.121121      1.108787
  C      -5.581491     -2.749603      1.710138
  C      -5.586600     -1.696213      2.613526
  F      -6.760193     -1.353170      3.175496
  C      -4.420780     -0.965687      2.925777
  C      -4.418470      0.101680      3.957813
  O      -5.166653      0.075074      4.924453
  C      -3.465821      1.300272      3.770892
  C      -3.236870     -1.354428      2.288097
  C      -3.798450      9.791995     -0.379370
  C      -3.474713      8.576698      0.454080
  O      -2.748315      7.684923      0.031240
  C      -4.065391      8.477136      1.833181
  C      -4.910606      9.462588      2.373154
  C      -5.435231      9.319700      3.653894
  C      -5.105671      8.190814      4.394084
  F      -5.647179      8.082323      5.631497
  C      -4.262734      7.179334      3.902042
  C      -3.859215      5.940270      4.636051
  O      -3.246979      5.050957      4.059996
  C      -4.229831      5.777478      6.119363
  C      -3.760048      7.355045      2.604421
  C      -8.019005     -5.604834      4.721264
  C      -6.995671     -4.545442      5.051094
  O      -5.871943     -4.569513      4.557184
  C      -7.383372     -3.446088      5.992900
  C      -8.709828     -3.239484      6.410670
  C      -9.033408     -2.163713      7.232077
  C      -8.021963     -1.297438      7.629462
  F      -8.366692     -0.252216      8.422166
  C      -6.680474     -1.480776      7.266086
  C      -5.547260     -0.580018      7.641715
  O      -4.403279     -1.008457      7.681503
  C      -5.852104      0.901592      7.916711
  C      -6.388982     -2.574764      6.443019
  H      -0.773170     -4.088650     -0.502523
  H      -2.153269     -4.880734      0.326081
  H      -2.461582     -3.783705     -1.027010
  H      -4.379113     -3.959347      0.411988
  H      -6.513372     -3.273716      1.499491
  H      -4.065330      2.060596      3.242381
  H      -2.622008      1.057251      3.109864
  H      -2.293751     -0.850667      2.502233
  H      -3.469330     10.711580      0.128791
  H      -4.884297      9.882167     -0.536293
  H      -3.294520      9.709554     -1.347778
  H      -5.168452     10.350286      1.795294
  H      -6.097924     10.067096      4.090432
  H      -3.972927      6.699030      6.667910
  H      -5.324907      5.681460      6.169784
  H      -3.105350      6.587366      2.189769
  H      -8.412732     -6.071544      5.636621
  H      -7.557505     -6.366794      4.084580
  H      -8.877489     -5.162504      4.191805
  H      -9.504091     -3.912426      6.087198
  H     -10.055028     -1.982567      7.566205
  H      -6.334480      0.967254      8.909611
  H      -6.587159      1.249729      7.180803
  H      -5.358194     -2.730604      6.124768
  N      -5.616340      3.031156      5.446160
  H      -6.505419      3.143927      4.951342
88
Coordinates from ORCA-job orca E -6506.763822485431
  N      -3.005727      1.827688      5.015386
  Mo     -4.140761      2.783774      6.302954
  N      -4.659624      1.721080      7.863269
  C      -3.756886      1.574745      9.011729
  C      -2.338416      1.437913      8.492910
  N      -2.110587      2.506162      7.487942
  C      -1.096273      2.122361      6.476640
  C      -1.746024      1.217984      5.448769
  C      -1.795671      3.804673      8.130127
  C      -2.239351      4.921230      7.209591
  N      -3.592551      4.628313      6.733570
  H      -1.070452      1.105751      4.584390
  H      -1.923343      0.203667      5.852290
  H      -0.755471      3.039797      5.977905
  H      -0.226720      1.643437      6.956180
  H      -2.236950      5.879262      7.756404
  H      -1.549694      5.036618      6.352996
  H      -2.365458      3.860786      9.067082
  H      -0.722859      3.873817      8.374353
  H      -4.019679      0.678868      9.591225
  H      -3.862004      2.445059      9.684091
  H      -2.251001      0.466339      7.990897
  H      -1.587264      1.493910      9.298531
  C      -1.725177     -3.911700     -0.172847
  C      -1.812081     -2.755954      0.791808
  O      -0.821026     -2.098315      1.094728
  C      -3.147742     -2.420993      1.387592
  C      -4.318696     -3.138392      1.099311
  C      -5.527375     -2.793808      1.699036
  C      -5.557885     -1.738898      2.600104
  F      -6.739796     -1.422047      3.159408
  C      -4.409542     -0.981185      2.912870
  C      -4.432492      0.089787      3.941372
  O      -5.186415      0.055089      4.903250
  C      -3.497102      1.303317      3.756565
  C      -3.216139     -1.344610      2.277660
  C      -3.782690      9.803476     -0.369064
  C      -3.466327      8.584250      0.461407
  O      -2.744401      7.689620      0.036877
  C      -4.059569      8.483763      1.839349
  C      -4.898712      9.473118      2.381753
  C      -5.425758      9.329434      3.661400
  C      -5.104488      8.196016      4.398226
  F      -5.648243      8.086516      5.634565
  C      -4.268272      7.180321      3.903488
  C      -3.874501      5.936017      4.633392
  O      -3.276656      5.040021      4.052564
  C      -4.234870      5.776504      6.119725
  C      -3.763140      7.356769      2.606850
  C      -8.083839     -5.604388      4.766431
  C      -7.054610     -4.544229      5.074834
  O      -5.940477     -4.568682      4.559437
  C      -7.424730     -3.443439      6.022120
  C      -8.743878     -3.234467      6.461204
  C      -9.052536     -2.157037      7.286261
  C      -8.033471     -1.291867      7.666134
  F      -8.363973     -0.245158      8.463159
  C      -6.698241     -1.477824      7.281371
  C      -5.557134     -0.579967      7.639468
  O      -4.413648     -1.010939      7.661099
  C      -5.854597      0.901732      7.920831
  C      -6.421768     -2.573135      6.454813
  H      -0.690995     -4.020147     -0.515024
  H      -2.053868     -4.845267      0.309564
  H      -2.385560     -3.748704     -1.038427
  H      -4.296238     -3.977502      0.403948
  H      -6.446347     -3.340532      1.489495
  H      -4.112862      2.061191      3.243957
  H      -2.657148      1.079472      3.084224
  H      -2.284682     -0.820042      2.492527
  H      -3.448677     10.719826      0.141743
  H      -4.867952      9.900057     -0.526228
  H      -3.278653      9.720780     -1.337390
  H      -5.149730     10.364538      1.806642
  H      -6.084110     10.079728      4.099545
  H      -3.970855      6.697813      6.665292
  H      -5.329927      5.684265      6.178390
  H      -3.113556      6.585896      2.190103
  H      -8.463480     -6.066124      5.690162
  H      -7.633460     -6.369655      4.125750
  H      -8.950102     -5.163673      4.248318
  H      -9.544092     -3.906716      6.151297
  H     -10.068319     -1.973776      7.636649
  H      -6.327944      0.967036      8.918059
  H      -6.595393      1.253544      7.192321
  H      -5.396526     -2.730862      6.120149
  N      -5.632243      3.026790      5.451443
  H      -6.524883      3.132595      4.961449
88
Coordinates from ORCA-job orca E -6506.763798386177
  N      -3.071003      1.814099      4.989411
  Mo     -4.162918      2.791327      6.298939
  N      -4.651888      1.726402      7.865142
  C      -3.722664      1.577887      8.992961
  C      -2.315412      1.429354      8.444171
  N      -2.100937      2.495026      7.431947
  C      -1.120493      2.099078      6.395132
  C      -1.808126      1.191543      5.394821
  C      -1.762698      3.792301      8.066123
  C      -2.226801      4.910277      7.160025
  N      -3.599378      4.632960      6.735706
  H      -1.158949      1.063146      4.512653
  H      -1.987152      0.184856      5.815129
  H      -0.785732      3.008033      5.877668
  H      -0.244284      1.615418      6.858440
  H      -2.189473      5.869829      7.703858
  H      -1.568320      5.016897      6.277801
  H      -2.311934      3.845441      9.015537
  H      -0.683864      3.854572      8.283724
  H      -3.983666      0.691533      9.586441
  H      -3.801766      2.457057      9.658264
  H      -2.249189      0.456760      7.941384
  H      -1.544344      1.484281      9.230345
  C      -1.640251     -3.924295     -0.089096
  C      -1.769930     -2.744574      0.841272
  O      -0.804550     -2.040965      1.123823
  C      -3.115855     -2.445688      1.430256
  C      -4.258646     -3.213901      1.158461
  C      -5.481578     -2.900094      1.746668
  C      -5.554158     -1.824074      2.619610
  F      -6.749017     -1.533755      3.165453
  C      -4.434987     -1.019585      2.919356
  C      -4.492952      0.070122      3.929092
  O      -5.249872      0.029731      4.888211
  C      -3.588259      1.304106      3.736220
  C      -3.227337     -1.352892      2.295424
  C      -3.773076      9.827828     -0.339185
  C      -3.460307      8.607266      0.490131
  O      -2.747866      7.706454      0.062076
  C      -4.058079      8.504933      1.866032
  C      -4.888416      9.500299      2.411662
  C      -5.420422      9.355046      3.688915
  C      -5.112423      8.215161      4.420828
  F      -5.659925      8.103162      5.655374
  C      -4.287845      7.192108      3.921870
  C      -3.915731      5.936629      4.640927
  O      -3.348669      5.027014      4.050394
  C      -4.245216      5.785329      6.135791
  C      -3.777462      7.369680      2.626804
  C      -8.120055     -5.522764      4.684253
  C      -7.055667     -4.524040      5.070386
  O      -5.920321     -4.592803      4.608686
  C      -7.421686     -3.426655      6.024254
  C      -8.743676     -3.204813      6.448109
  C      -9.048760     -2.134040      7.283069
  C      -8.024087     -1.283266      7.680727
  F      -8.348651     -0.241984      8.487865
  C      -6.688734     -1.475735      7.301015
  C      -5.545139     -0.577190      7.650806
  O      -4.398903     -1.001178      7.639582
  C      -5.841870      0.900834      7.952318
  C      -6.413724     -2.569370      6.471709
  H      -0.604640     -3.998205     -0.436670
  H      -1.923643     -4.857866      0.421136
  H      -2.312290     -3.812460     -0.953811
  H      -4.200692     -4.069920      0.486355
  H      -6.378084     -3.487076      1.549423
  H      -4.235581      2.056841      3.256989
  H      -2.763338      1.106227      3.037608
  H      -2.316271     -0.791064      2.502200
  H      -3.430995     10.741984      0.170125
  H      -4.858915      9.929383     -0.489426
  H      -3.274769      9.742170     -1.310162
  H      -5.127481     10.397629      1.840818
  H      -6.072821     10.109876      4.128275
  H      -3.958495      6.708225      6.668115
  H      -5.338700      5.703746      6.226188
  H      -3.137230      6.593014      2.206473
  H      -8.571439     -5.983587      5.575300
  H      -7.678142     -6.295805      4.047130
  H      -8.932771     -5.023576      4.132922
  H      -9.546831     -3.864284      6.119310
  H     -10.065509     -1.943987      7.627038
  H      -6.281816      0.958965      8.965101
  H      -6.607911      1.253550      7.250682
  H      -5.387583     -2.734312      6.143739
  N      -5.672536      3.044762      5.487523
  H      -6.578793      3.158137      5.024590
88
Coordinates from ORCA-job orca E -6506.763901510651
  N      -3.058680      1.816296      4.989307
  Mo     -4.157089      2.785953      6.297892
  N      -4.654464      1.719758      7.861407
  C      -3.729753      1.562471      8.991752
  C      -2.321687      1.417491      8.445423
  N      -2.104805      2.487627      7.439541
  C      -1.115846      2.099421      6.406392
  C      -1.793408      1.198208      5.393927
  C      -1.767791      3.782071      8.079930
  C      -2.221857      4.904651      7.173223
  N      -3.588558      4.625338      6.729020
  H      -1.139306      1.081481      4.513925
  H      -1.969073      0.186242      5.803623
  H      -0.781015      3.014612      5.899830
  H      -0.239870      1.614777      6.868772
  H      -2.196357      5.860392      7.723804
  H      -1.551856      5.018017      6.300795
  H      -2.321682      3.836678      9.026523
  H      -0.690233      3.840812      8.304945
  H      -3.990848      0.668980      9.575058
  H      -3.813654      2.433451      9.666605
  H      -2.252552      0.447586      7.937693
  H      -1.553430      1.467465      9.234972
  C      -1.593071     -3.870330     -0.138478
  C      -1.730194     -2.707294      0.812131
  O      -0.768941     -2.002787      1.105798
  C      -3.078924     -2.422854      1.403822
  C      -4.216771     -3.197340      1.128482
  C      -5.439906     -2.897724      1.723020
  C      -5.518812     -1.828511      2.604223
  F      -6.714530     -1.554895      3.156878
  C      -4.405663     -1.015809      2.905373
  C      -4.474238      0.069389      3.917976
  O      -5.238049      0.024706      4.871173
  C      -3.571037      1.307400      3.732980
  C      -3.196537     -1.337043      2.276804
  C      -3.785801      9.823544     -0.347285
  C      -3.475793      8.598607      0.476948
  O      -2.766633      7.697520      0.044429
  C      -4.064629      8.497022      1.856887
  C      -4.887398      9.494557      2.409327
  C      -5.410107      9.351006      3.690875
  C      -5.100433      8.209265      4.419459
  F      -5.638003      8.098953      5.658426
  C      -4.282436      7.184288      3.913714
  C      -3.907281      5.929132      4.632747
  O      -3.346428      5.017749      4.038577
  C      -4.232994      5.778907      6.128185
  C      -3.781270      7.360622      2.615337
  C      -8.180326     -5.556414      4.764808
  C      -7.120847     -4.534541      5.100341
  O      -5.999437     -4.593830      4.604405
  C      -7.472033     -3.427587      6.047952
  C      -8.786121     -3.203544      6.494520
  C      -9.077722     -2.123832      7.322701
  C      -8.047030     -1.269483      7.695230
  F      -8.360395     -0.219844      8.495415
  C      -6.717059     -1.467625      7.298885
  C      -5.565254     -0.576988      7.640912
  O      -4.422731     -1.010901      7.631739
  C      -5.850979      0.903788      7.939307
  C      -6.456941     -2.566808      6.471977
  H      -0.556265     -3.934638     -0.484145
  H      -1.874755     -4.812602      0.356172
  H      -2.263155     -3.747397     -1.003154
  H      -4.155068     -4.047226      0.448833
  H      -6.332257     -3.490912      1.525573
  H      -4.216623      2.060644      3.252210
  H      -2.742656      1.114690      3.037144
  H      -2.289311     -0.768574      2.483015
  H      -3.438866     10.734904      0.163727
  H      -4.871531      9.930119     -0.494790
  H      -3.290490      9.738885     -1.319904
  H      -5.128359     10.392665      1.840395
  H      -6.056241     10.107972      4.135673
  H      -3.942405      6.700325      6.660310
  H      -5.326729      5.699914      6.219900
  H      -3.146038      6.582443      2.190243
  H      -8.597576     -6.008308      5.676901
  H      -7.744308     -6.334546      4.129729
  H      -9.017053     -5.080652      4.229112
  H      -9.595041     -3.866898      6.188317
  H     -10.088848     -1.930496      7.681092
  H      -6.301278      0.965375      8.947303
  H      -6.607258      1.263039      7.230390
  H      -5.435857     -2.735193      6.130183
  N      -5.662979      3.032698      5.475324
  H      -6.564846      3.136004      5.001826
88
Coordinates from ORCA-job orca E -6506.763917141745
  N      -3.055551      1.819124      4.987774
  Mo     -4.153494      2.788672      6.296920
  N      -4.655066      1.722217      7.859672
  C      -3.731342      1.562383      8.990436
  C      -2.323743      1.415010      8.444971
  N      -2.104166      2.485571      7.440620
  C      -1.113897      2.096839      6.408345
  C      -1.791087      1.199005      5.392722
  C      -1.763749      3.778067      8.082956
  C      -2.213649      4.903091      7.176690
  N      -3.580201      4.626006      6.729149
  H      -1.135886      1.083213      4.513476
  H      -1.968393      0.186320      5.800149
  H      -0.776892      3.012882      5.904676
  H      -0.239165      1.609725      6.870291
  H      -2.188606      5.857824      7.728818
  H      -1.541833      5.016532      6.305800
  H      -2.317947      3.834174      9.029275
  H      -0.686212      3.833027      8.308985
  H      -3.993892      0.667978      9.571868
  H      -3.814991      2.432025      9.666843
  H      -2.255432      0.445408      7.936475
  H      -1.556363      1.462539      9.235601
  C      -1.596006     -3.890514     -0.115527
  C      -1.731383     -2.725680      0.833038
  O      -0.767150     -2.028274      1.133503
  C      -3.082492     -2.430445      1.414369
  C      -4.223934     -3.196890      1.132268
  C      -5.448905     -2.886989      1.717337
  C      -5.525972     -1.816145      2.596831
  F      -6.724145     -1.532013      3.137954
  C      -4.408834     -1.011048      2.904674
  C      -4.475879      0.075405      3.915947
  O      -5.241457      0.033875      4.868323
  C      -3.568451      1.310460      3.731368
  C      -3.198010     -1.342025      2.284331
  C      -3.806742      9.821314     -0.350710
  C      -3.494164      8.596211      0.472424
  O      -2.788292      7.694150      0.036711
  C      -4.074039      8.497123      1.856367
  C      -4.891271      9.496608      2.413202
  C      -5.405592      9.355609      3.698492
  C      -5.093025      8.214006      4.426159
  F      -5.622852      8.106042      5.668623
  C      -4.279949      7.187166      3.916052
  C      -3.901908      5.932294      4.634486
  O      -3.343805      5.020687      4.037927
  C      -4.223266      5.781921      6.130744
  C      -3.787287      7.361145      2.614269
  C      -8.170268     -5.552505      4.750073
  C      -7.112326     -4.530709      5.090592
  O      -5.989199     -4.589378      4.598214
  C      -7.466630     -3.425208      6.038806
  C      -8.781113     -3.204663      6.486237
  C      -9.075040     -2.126955      7.316316
  C      -8.046345     -1.270593      7.689884
  F      -8.362457     -0.223234      8.492363
  C      -6.715852     -1.465388      7.292696
  C      -5.565449     -0.573739      7.636205
  O      -4.422548     -1.006784      7.628433
  C      -5.851922      0.906696      7.935782
  C      -6.453658     -2.562919      6.464300
  H      -0.556905     -3.963909     -0.452282
  H      -1.890020     -4.829582      0.378160
  H      -2.257570     -3.762900     -0.986055
  H      -4.164082     -4.047853      0.453713
  H      -6.344684     -3.472828      1.513448
  H      -4.210519      2.065650      3.248990
  H      -2.739902      1.114447      3.036584
  H      -2.288161     -0.779404      2.494924
  H      -3.456014     10.732520      0.157945
  H      -4.893058      9.929298     -0.492788
  H      -3.316634      9.735447     -1.325856
  H      -5.134723     10.394322      1.844689
  H      -6.047306     10.114254      4.146759
  H      -3.928102      6.701694      6.662888
  H      -5.316980      5.705996      6.225453
  H      -3.156030      6.581549      2.185868
  H      -8.588831     -6.008447      5.659582
  H      -7.731894     -6.328203      4.113640
  H      -9.006408     -5.075668      4.214505
  H      -9.588835     -3.869377      6.179757
  H     -10.086517     -1.936877      7.675424
  H      -6.303092      0.967030      8.943518
  H      -6.607417      1.267330      7.226913
  H      -5.432202     -2.728539      6.122231
  N      -5.658185      3.040385      5.472980
  H      -6.559121      3.149902      4.999176
88
Coordinates from ORCA-job orca E -6506.763943641842
  N      -3.081200      1.815431      4.972177
  Mo     -4.155676      2.793307      6.294126
  N      -4.651523      1.724021      7.856991
  C      -3.717893      1.553790      8.978255
  C      -2.317071      1.397175      8.419009
  N      -2.098606      2.468982      7.415984
  C      -1.121734      2.074742      6.372750
  C      -1.816349      1.185275      5.361458
  C      -1.738836      3.755691      8.059184
  C      -2.187562      4.888278      7.161256
  N      -3.561593      4.624074      6.727666
  H      -1.171426      1.067036      4.475032
  H      -1.996673      0.172762      5.768101
  H      -0.782970      2.989959      5.868618
  H      -0.245741      1.579244      6.823044
  H      -2.148603      5.840751      7.716300
  H      -1.524034      4.998301      6.283721
  H      -2.282241      3.814834      9.011550
  H      -0.658516      3.799127      8.274103
  H      -3.981285      0.658948      9.558862
  H      -3.789244      2.421075      9.658872
  H      -2.260277      0.428554      7.907183
  H      -1.542458      1.436299      9.203101
  C      -1.516982     -3.875120     -0.072330
  C      -1.681791     -2.712666      0.874561
  O      -0.732269     -1.999493      1.184630
  C      -3.043842     -2.437499      1.440882
  C      -4.169125     -3.226682      1.156507
  C      -5.404500     -2.932422      1.727755
  C      -5.508610     -1.853500      2.595024
  F      -6.716663     -1.584577      3.120846
  C      -4.408450     -1.025301      2.903809
  C      -4.502851      0.070801      3.901950
  O      -5.278307      0.028758      4.846593
  C      -3.608353      1.316144      3.717311
  C      -3.186459     -1.342277      2.298002
  C      -3.848385      9.822224     -0.347479
  C      -3.535545      8.593799      0.470723
  O      -2.843832      7.685755      0.024999
  C      -4.094653      8.500523      1.863647
  C      -4.890161      9.509502      2.434311
  C      -5.384994      9.374395      3.727953
  C      -5.074587      8.228441      4.449743
  F      -5.585514      8.125898      5.700463
  C      -4.282895      7.191886      3.925544
  C      -3.909551      5.932116      4.637815
  O      -3.378414      5.011533      4.030295
  C      -4.202821      5.787094      6.140401
  C      -3.809628      7.360381      2.616070
  C      -8.215834     -5.527431      4.742105
  C      -7.146327     -4.521525      5.093427
  O      -6.019633     -4.597247      4.611857
  C      -7.493172     -3.410768      6.038178
  C      -8.805490     -3.181889      6.487910
  C      -9.091665     -2.102087      7.317802
  C      -8.057485     -1.250979      7.688158
  F      -8.366706     -0.201409      8.490379
  C      -6.728945     -1.453071      7.287489
  C      -5.573181     -0.567007      7.626659
  O      -4.431756     -1.003895      7.608483
  C      -5.851074      0.912786      7.937878
  C      -6.474783     -2.553344      6.460178
  H      -0.472906     -3.931925     -0.396619
  H      -1.801786     -4.818734      0.417911
  H      -2.169882     -3.757692     -0.950790
  H      -4.088438     -4.082925      0.486660
  H      -6.288253     -3.535656      1.522127
  H      -4.262403      2.071740      3.252800
  H      -2.787400      1.134669      3.009592
  H      -2.288486     -0.761135      2.509086
  H      -3.482620     10.730093      0.156476
  H      -4.935547      9.939984     -0.474596
  H      -3.372653      9.732374     -1.329362
  H      -5.131954     10.410331      1.870015
  H      -6.009730     10.140760      4.186877
  H      -3.886015      6.703301      6.665759
  H      -5.295373      5.724029      6.256284
  H      -3.195177      6.573422      2.176868
  H      -8.649382     -5.980291      5.646120
  H      -7.782518     -6.308019      4.108188
  H      -9.039826     -5.036843      4.200179
  H      -9.617758     -3.842317      6.184104
  H     -10.101259     -1.906423      7.679155
  H      -6.293802      0.968019      8.949715
  H      -6.610606      1.282433      7.238153
  H      -5.454959     -2.724940      6.116240
  N      -5.666373      3.055625      5.484302
  H      -6.570511      3.173102      5.018625
88
Coordinates from ORCA-job orca E -6506.756170275395
  N      -3.130482      1.823515      4.974071
  Mo     -4.185724      2.819535      6.289914
  N      -4.668521      1.737233      7.849840
  C      -3.731982      1.572070      8.962599
  C      -2.334571      1.407718      8.392297
  N      -2.112662      2.475217      7.391520
  C      -1.156146      2.077052      6.347049
  C      -1.867290      1.191198      5.348886
  C      -1.727108      3.757136      8.021138
  C      -2.183001      4.879511      7.128511
  N      -3.570895      4.635693      6.726341
  H      -1.225787      1.070847      4.467539
  H      -2.054018      0.183810      5.756116
  H      -0.813439      2.986185      5.842035
  H      -0.275940      1.582582      6.781321
  H      -2.115527      5.830070      7.676897
  H      -1.526604      4.985606      6.248191
  H      -2.242364      3.829178      8.984781
  H      -0.640548      3.796281      8.210951
  H      -4.001521      0.678588      9.551692
  H      -3.797178      2.446304      9.627384
  H      -2.291170      0.443366      7.887533
  H      -1.553231      1.439280      9.163756
  C      -1.529941     -3.842870     -0.033208
  C      -1.702247     -2.692928      0.922127
  O      -0.750876     -1.976392      1.244469
  C      -3.071143     -2.432238      1.473825
  C      -4.192164     -3.236645      1.182097
  C      -5.435622     -2.949617      1.733082
  C      -5.552056     -1.866166      2.590620
  F      -6.773580     -1.596710      3.087379
  C      -4.455216     -1.025415      2.911595
  C      -4.560931      0.072119      3.906714
  O      -5.339776      0.016914      4.838178
  C      -3.669242      1.325452      3.732228
  C      -3.225585     -1.332874      2.322118
  C      -3.812417      9.788290     -0.302285
  C      -3.521642      8.567469      0.522697
  O      -2.847925      7.656906      0.096264
  C      -4.071607      8.486090      1.891392
  C      -4.834555      9.503064      2.445560
  C      -5.323083      9.380671      3.719272
  C      -5.036285      8.239282      4.437062
  F      -5.536377      8.154747      5.673713
  C      -4.279994      7.191734      3.923351
  C      -3.941053      5.929496      4.632384
  O      -3.461987      4.992481      4.024264
  C      -4.196226      5.809163      6.129588
  C      -3.811119      7.349004      2.636403
  C      -8.143368     -5.521584      4.734642
  C      -7.083706     -4.522137      5.101609
  O      -5.954186     -4.600433      4.650225
  C      -7.444378     -3.418035      6.034794
  C      -8.752391     -3.204255      6.468979
  C      -9.047831     -2.134700      7.291838
  C      -8.026974     -1.276076      7.668719
  F      -8.343696     -0.238344      8.467862
  C      -6.705092     -1.458453      7.277260
  C      -5.560913     -0.558556      7.609922
  O      -4.418883     -0.973552      7.577717
  C      -5.851034      0.907629      7.924385
  C      -6.440691     -2.550579      6.459709
  H      -0.480787     -3.883037     -0.355673
  H      -1.811475     -4.804750      0.434147
  H      -2.187239     -3.719614     -0.903656
  H      -4.102395     -4.098599      0.522172
  H      -6.318612     -3.563304      1.517277
  H      -4.316740      2.068741      3.279996
  H      -2.860707      1.155426      3.032166
  H      -2.330129     -0.741502      2.541764
  H      -3.432202     10.677338      0.185034
  H      -4.893204      9.935688     -0.433694
  H      -3.342719      9.689185     -1.268060
  H      -5.055891     10.403450      1.884127
  H      -5.922762     10.158231      4.165319
  H      -3.850681      6.720485      6.630586
  H      -5.280064      5.776895      6.269773
  H      -3.223377      6.557568      2.208565
  H      -8.585597     -5.976168      5.627056
  H      -7.699101     -6.293869      4.107215
  H      -8.968183     -5.032901      4.184353
  H      -9.552596     -3.871954      6.160200
  H     -10.054056     -1.955375      7.643172
  H      -6.292676      0.951875      8.928091
  H      -6.616750      1.271958      7.233269
  H      -5.424558     -2.709432      6.125493
  N      -5.757731      3.070113      5.505795
  H      -6.670636      3.136106      5.048340
88
Coordinates from ORCA-job orca E -6506.762799104248
  N      -3.121602      1.816590      4.984970
  Mo     -4.178454      2.817591      6.303508
  N      -4.664753      1.737366      7.864288
  C      -3.730686      1.568128      8.981323
  C      -2.335201      1.400350      8.417167
  N      -2.112301      2.470416      7.416512
  C      -1.153610      2.067785      6.369994
  C      -1.862117      1.180088      5.367172
  C      -1.731717      3.755070      8.051712
  C      -2.183141      4.884590      7.157149
  N      -3.566445      4.638146      6.747697
  H      -1.220818      1.056194      4.483626
  H      -2.050328      0.170348      5.776382
  H      -0.810169      2.978528      5.863361
  H      -0.276933      1.568178      6.810454
  H      -2.120602      5.837018      7.708835
  H      -1.527117      4.991233      6.275070
  H      -2.256345      3.823733      9.012581
  H      -0.647887      3.793622      8.250442
  H      -4.001052      0.676747      9.567329
  H      -3.794922      2.442715      9.650974
  H      -2.290461      0.431953      7.907157
  H      -1.557252      1.430126      9.194999
  C      -1.523958     -3.841365     -0.079548
  C      -1.694299     -2.692822      0.883553
  O      -0.745825     -1.979801      1.205458
  C      -3.058926     -2.430797      1.448322
  C      -4.178336     -3.230352      1.157937
  C      -5.420472     -2.943071      1.723079
  C      -5.536240     -1.862285      2.590307
  F      -6.755875     -1.594114      3.107061
  C      -4.440796     -1.026445      2.908111
  C      -4.547198      0.070115      3.910542
  O      -5.327361      0.018283      4.847567
  C      -3.655136      1.321013      3.733963
  C      -3.213061     -1.335233      2.307898
  C      -3.822887      9.784339     -0.368064
  C      -3.523580      8.556178      0.463640
  O      -2.843438      7.628260      0.021810
  C      -4.078829      8.484822      1.861250
  C      -4.852137      9.518343      2.432231
  C      -5.342038      9.404268      3.732930
  C      -5.048624      8.254994      4.460765
  F      -5.550700      8.176989      5.721837
  C      -4.282608      7.191914      3.932908
  C      -3.935412      5.922873      4.646777
  O      -3.445859      4.974016      4.034199
  C      -4.195717      5.808505      6.154255
  C      -3.811761      7.340581      2.618556
  C      -8.161885     -5.522763      4.722502
  C      -7.091874     -4.529201      5.095272
  O      -5.952875     -4.615073      4.637078
  C      -7.452600     -3.419747      6.035751
  C      -8.768740     -3.195945      6.476401
  C      -9.064083     -2.120026      7.306131
  C      -8.036175     -1.265139      7.683169
  F      -8.352935     -0.220738      8.486110
  C      -6.706823     -1.457582      7.287156
  C      -5.557971     -0.560541      7.620432
  O      -4.411787     -0.983272      7.588383
  C      -5.849306      0.911674      7.939150
  C      -6.441978     -2.556425      6.462351
  H      -0.479827     -3.883434     -0.407229
  H      -1.802524     -4.799336      0.390015
  H      -2.180467     -3.717080     -0.951414
  H      -4.089675     -4.088934      0.490293
  H      -6.302421     -3.553204      1.511367
  H      -4.306737      2.075426      3.277385
  H      -2.838779      1.143561      3.025016
  H      -2.319195     -0.747731      2.527204
  H      -3.438240     10.699443      0.124958
  H      -4.914628      9.919188     -0.489012
  H      -3.351341      9.675413     -1.354184
  H      -5.078904     10.424101      1.863991
  H      -5.948537     10.193101      4.192544
  H      -3.851163      6.726840      6.658987
  H      -5.284873      5.770005      6.296146
  H      -3.216087      6.535570      2.178630
  H      -8.612903     -5.976951      5.620844
  H      -7.718799     -6.301439      4.090935
  H      -8.981951     -5.023228      4.166716
  H      -9.575153     -3.859703      6.167284
  H     -10.076118     -1.931608      7.662354
  H      -6.290805      0.956410      8.948841
  H      -6.615613      1.279636      7.246572
  H      -5.420097     -2.723069      6.123403
  N      -5.730996      3.068847      5.525128
  H      -6.642513      3.149713      5.065029
88
Coordinates from ORCA-job orca E -6506.753950533201
  N      -3.087585      1.827378      4.989799
  Mo     -4.146590      2.808538      6.321574
  N      -4.647514      1.738621      7.874875
  C      -3.711449      1.566674      8.996525
  C      -2.317245      1.393804      8.437384
  N      -2.092672      2.464297      7.437744
  C      -1.120220      2.066180      6.377964
  C      -1.823653      1.182807      5.367696
  C      -1.722880      3.750237      8.088336
  C      -2.174803      4.895832      7.201202
  N      -3.550742      4.637901      6.776589
  H      -1.184427      1.066218      4.469045
  H      -2.005123      0.167586      5.771458
  H      -0.782519      2.985459      5.874250
  H      -0.239926      1.563529      6.823336
  H      -2.132293      5.845327      7.759728
  H      -1.516682      5.008651      6.318105
  H      -2.260842      3.802109      9.047666
  H      -0.639327      3.785446      8.297673
  H      -3.978655      0.682497      9.578583
  H      -3.766573      2.437251      9.672308
  H      -2.270382      0.420286      7.921816
  H      -1.534369      1.426867      9.223508
  C      -1.536642     -3.826520     -0.083202
  C      -1.702210     -2.677075      0.872586
  O      -0.762713     -1.975290      1.184447
  C      -3.057163     -2.396918      1.444712
  C      -4.177514     -3.176025      1.166574
  C      -5.404335     -2.878071      1.733509
  C      -5.503052     -1.803619      2.593126
  F      -6.690982     -1.530970      3.108732
  C      -4.410259     -0.986948      2.901240
  C      -4.507029      0.103415      3.899416
  O      -5.284990      0.058037      4.848489
  C      -3.620518      1.347533      3.717737
  C      -3.194520     -1.306149      2.296214
  C      -3.858333      9.746955     -0.388260
  C      -3.539439      8.538272      0.441871
  O      -2.844024      7.653343      0.010204
  C      -4.100267      8.442786      1.837394
  C      -4.897465      9.438912      2.393526
  C      -5.398020      9.309144      3.693358
  C      -5.085806      8.178841      4.434615
  F      -5.592020      8.070731      5.686290
  C      -4.293467      7.156441      3.927258
  C      -3.924240      5.915289      4.669057
  O      -3.415039      4.989682      4.078168
  C      -4.192015      5.787965      6.183805
  C      -3.814358      7.316687      2.609558
  C      -8.207520     -5.523419      4.685298
  C      -7.142406     -4.527561      5.081599
  O      -6.017482     -4.615843      4.634229
  C      -7.489725     -3.410220      6.024015
  C      -8.808553     -3.168525      6.470375
  C      -9.099320     -2.083227      7.311177
  C      -8.059727     -1.238687      7.690507
  F      -8.370632     -0.184700      8.504583
  C      -6.723209     -1.452612      7.287030
  C      -5.562004     -0.567390      7.628610
  O      -4.413512     -1.014651      7.601502
  C      -5.847193      0.920999      7.950095
  C      -6.465503     -2.559277      6.454413
  H      -0.498106     -3.884225     -0.412489
  H      -1.815572     -4.765411      0.408007
  H      -2.192739     -3.704347     -0.963454
  H      -4.099971     -4.029960      0.501530
  H      -6.280803     -3.473167      1.529003
  H      -4.286960      2.124216      3.258586
  H      -2.796691      1.166962      2.987625
  H      -2.300583     -0.731610      2.504222
  H      -3.505383     10.647557      0.111203
  H      -4.931713      9.853290     -0.521923
  H      -3.385015      9.661738     -1.366952
  H      -5.137751     10.327072      1.814265
  H      -6.023496     10.063062      4.141385
  H      -3.873859      6.712985      6.691426
  H      -5.281334      5.717973      6.313224
  H      -3.196763      6.535963      2.183187
  H      -8.676142     -5.982189      5.560847
  H      -7.770992     -6.307887      4.058741
  H      -8.992594     -5.019315      4.129804
  H      -9.626046     -3.823279      6.161172
  H     -10.114900     -1.878222      7.674353
  H      -6.294811      0.969219      8.969325
  H      -6.607736      1.297111      7.249416
  H      -5.440361     -2.738271      6.113058
  N      -5.596290      3.058771      5.536863
  H      -6.496076      3.139620      5.068292
88
Coordinates from ORCA-job orca E -6506.758623892161
  N      -3.117514      1.814101      4.944807
  Mo     -4.170960      2.807413      6.292643
  N      -4.657577      1.738917      7.868049
  C      -3.703714      1.561484      8.987819
  C      -2.299031      1.387465      8.407068
  N      -2.090885      2.463311      7.388165
  C      -1.117085      2.057709      6.309306
  C      -1.835099      1.168662      5.310973
  C      -1.721661      3.746249      8.034026
  C      -2.187580      4.900317      7.152012
  N      -3.567083      4.637840      6.737677
  H      -1.204850      1.041624      4.391176
  H      -2.005511      0.153088      5.728762
  H      -0.787844      2.972560      5.779848
  H      -0.222739      1.555072      6.749438
  H      -2.143784      5.852762      7.718461
  H      -1.540827      5.015130      6.251847
  H      -2.256736      3.795198      9.002732
  H      -0.633666      3.782998      8.229546
  H      -3.965963      0.676603      9.583366
  H      -3.755861      2.435166      9.674807
  H      -2.247461      0.415477      7.887074
  H      -1.512340      1.419132      9.192314
  C      -1.462910     -3.865050     -0.060375
  C      -1.649276     -2.704757      0.892398
  O      -0.703857     -1.976166      1.216196
  C      -3.034192     -2.442963      1.451579
  C      -4.157307     -3.247231      1.163840
  C      -5.414742     -2.960105      1.727235
  C      -5.541300     -1.871486      2.586161
  F      -6.771449     -1.607199      3.098787
  C      -4.441098     -1.030101      2.895226
  C      -4.549383      0.072616      3.881890
  O      -5.335601      0.026538      4.835062
  C      -3.657278      1.326243      3.687708
  C      -3.198744     -1.340571      2.300075
  C      -3.807715      9.817151     -0.311992
  C      -3.501098      8.592649      0.500937
  O      -2.799157      7.680476      0.068702
  C      -4.082771      8.502149      1.881153
  C      -4.886375      9.512085      2.443063
  C      -5.400409      9.372994      3.718969
  C      -5.099939      8.225963      4.436553
  F      -5.631061      8.114772      5.662778
  C      -4.300742      7.190723      3.925804
  C      -3.937733      5.929360      4.635309
  O      -3.425951      4.999173      4.021468
  C      -4.216768      5.798516      6.155710
  C      -3.811475      7.360424      2.628921
  C      -8.215095     -5.508499      4.735797
  C      -7.137037     -4.512686      5.119943
  O      -5.988944     -4.594184      4.653992
  C      -7.492367     -3.407046      6.062194
  C      -8.808924     -3.184835      6.498012
  C      -9.097372     -2.111950      7.324273
  C      -8.064421     -1.257700      7.704835
  F      -8.374255     -0.217522      8.503198
  C      -6.732448     -1.451316      7.314582
  C      -5.578809     -0.559194      7.649967
  O      -4.433714     -0.987178      7.624848
  C      -5.864674      0.924899      7.969725
  C      -6.475781     -2.548092      6.492164
  H      -0.408494     -3.908347     -0.381723
  H      -1.740482     -4.816181      0.433106
  H      -2.117298     -3.745486     -0.942574
  H      -4.058337     -4.108982      0.497095
  H      -6.295429     -3.570981      1.516045
  H      -4.326149      2.096756      3.228103
  H      -2.829039      1.150597      2.967437
  H      -2.299951     -0.750238      2.513020
  H      -3.449982     10.707807      0.190606
  H      -4.890855      9.944132     -0.446902
  H      -3.319944      9.725641     -1.280708
  H      -5.120023     10.411209      1.884444
  H      -6.032995     10.133762      4.167928
  H      -3.878239      6.719467      6.671656
  H      -5.321691      5.747799      6.291870
  H      -3.190453      6.569915      2.196259
  H      -8.684089     -5.967361      5.616930
  H      -7.777596     -6.287128      4.111538
  H      -9.005589     -5.005735      4.181469
  H      -9.621875     -3.845448      6.185451
  H     -10.108084     -1.922550      7.675613
  H      -6.293292      0.973509      8.996748
  H      -6.634209      1.293677      7.277876
  H      -5.453126     -2.713894      6.157448
  N      -5.674147      3.073941      5.478803
  H      -6.583053      3.167424      5.005597
88
Coordinates from ORCA-job orca E -6506.758491925316
  N      -3.117306      1.805362      4.971724
  Mo     -4.171221      2.796227      6.290876
  N      -4.655874      1.725746      7.852384
  C      -3.712885      1.556957      8.962723
  C      -2.315543      1.399930      8.393977
  N      -2.101858      2.468141      7.391102
  C      -1.142728      2.071632      6.350625
  C      -1.854502      1.178200      5.353400
  C      -1.734238      3.750353      8.029887
  C      -2.193120      4.885009      7.144064
  N      -3.573619      4.626497      6.727391
  H      -1.224508      1.050771      4.468436
  H      -2.033855      0.174530      5.767333
  H      -0.809314      2.976805      5.836710
  H      -0.270025      1.582949      6.794855
  H      -2.144397      5.832381      7.705503
  H      -1.542854      4.996630      6.259929
  H      -2.264590      3.808705      8.984234
  H      -0.654055      3.794195      8.230913
  H      -3.974531      0.664523      9.552083
  H      -3.777223      2.424734      9.642829
  H      -2.264340      0.436909      7.882691
  H      -1.541819      1.437954      9.168626
  C      -1.549257     -3.862233     -0.038575
  C      -1.715365     -2.704867      0.912845
  O      -0.773974     -1.990953      1.230176
  C      -3.071184     -2.438149      1.470633
  C      -4.181421     -3.234916      1.176531
  C      -5.409369     -2.947322      1.731558
  C      -5.526155     -1.867661      2.594241
  F      -6.736627     -1.601821      3.105414
  C      -4.439884     -1.033791      2.913815
  C      -4.545444      0.061165      3.907401
  O      -5.314032      0.017298      4.832104
  C      -3.653933      1.309202      3.726761
  C      -3.223541     -1.343869      2.322877
  C      -3.788801      9.827788     -0.344853
  C      -3.495297      8.592731      0.483490
  O      -2.799503      7.661726      0.043517
  C      -4.073437      8.510897      1.875468
  C      -4.865898      9.538300      2.442551
  C      -5.376184      9.408918      3.733159
  C      -5.086072      8.253445      4.459942
  F      -5.620310      8.165698      5.711751
  C      -4.296916      7.197446      3.938213
  C      -3.941507      5.927049      4.643915
  O      -3.437414      4.991445      4.032224
  C      -4.215852      5.793725      6.144908
  C      -3.811092      7.361650      2.630812
  C      -8.158947     -5.527237      4.728618
  C      -7.090988     -4.535469      5.098860
  O      -5.962633     -4.621360      4.638244
  C      -7.447833     -3.421331      6.036622
  C      -8.758087     -3.196580      6.477709
  C      -9.051732     -2.116913      7.305360
  C      -8.029692     -1.260390      7.679680
  F      -8.347884     -0.211549      8.483707
  C      -6.705589     -1.454191      7.284745
  C      -5.564326     -0.559167      7.621570
  O      -4.433154     -0.974267      7.601973
  C      -5.848978      0.910886      7.940580
  C      -6.443422     -2.556414      6.461356
  H      -0.513553     -3.913016     -0.364095
  H      -1.824355     -4.804112      0.447102
  H      -2.200837     -3.745807     -0.913895
  H      -4.090355     -4.091355      0.509129
  H      -6.282720     -3.555649      1.516526
  H      -4.304403      2.053169      3.278363
  H      -2.846483      1.137950      3.023888
  H      -2.332931     -0.759265      2.540162
  H      -3.411037     10.749173      0.159912
  H      -4.880283      9.955333     -0.474526
  H      -3.303761      9.725143     -1.330698
  H      -5.092752     10.447499      1.876397
  H      -6.000857     10.190423      4.187771
  H      -3.877785      6.703960      6.660685
  H      -5.304981      5.748815      6.276436
  H      -3.202039      6.563761      2.193898
  H      -8.611080     -5.976047      5.625241
  H      -7.720964     -6.313906      4.101492
  H      -8.971142     -5.020769      4.170595
  H      -9.561742     -3.860821      6.171925
  H     -10.060306     -1.926568      7.663052
  H      -6.280018      0.957218      8.951109
  H      -6.613486      1.276078      7.250191
  H      -5.425146     -2.724635      6.123091
  N      -5.727312      3.056073      5.467384
  H      -6.635897      3.145781      4.998403
88
Coordinates from ORCA-job orca E -6506.753941598658
  N      -3.082395      1.817461      4.983295
  Mo     -4.145234      2.798947      6.290881
  N      -4.638649      1.731180      7.849156
  C      -3.708656      1.571340      8.954808
  C      -2.319156      1.418897      8.404351
  N      -2.094826      2.479182      7.407161
  C      -1.133321      2.092285      6.382179
  C      -1.831394      1.202068      5.379685
  C      -1.729487      3.764906      8.047630
  C      -2.175676      4.892861      7.160325
  N      -3.552772      4.628640      6.735129
  H      -1.196289      1.083130      4.511772
  H      -2.013471      0.198931      5.789669
  H      -0.797963      3.001357      5.882487
  H      -0.274809      1.607888      6.833281
  H      -2.136963      5.837555      7.715130
  H      -1.520379      5.000925      6.287510
  H      -2.266823      3.821846      8.989323
  H      -0.653286      3.808752      8.260359
  H      -3.968105      0.678947      9.541002
  H      -3.779839      2.434195      9.622545
  H      -2.266134      0.453246      7.905307
  H      -1.550810      1.462904      9.180795
  C      -1.480148     -3.893784     -0.082154
  C      -1.648365     -2.734825      0.865230
  O      -0.698993     -2.028190      1.170279
  C      -3.017639     -2.461387      1.434791
  C      -4.154964     -3.256731      1.157665
  C      -5.407377     -2.959845      1.732249
  C      -5.512619     -1.870720      2.592412
  F      -6.738980     -1.595842      3.118296
  C      -4.398837     -1.035908      2.898040
  C      -4.500835      0.072931      3.899744
  O      -5.274926      0.032121      4.833925
  C      -3.612267      1.324199      3.725614
  C      -3.162569     -1.356618      2.289726
  C      -3.858486      9.851841     -0.332791
  C      -3.538031      8.620916      0.477728
  O      -2.845073      7.756343      0.026187
  C      -4.094328      8.498685      1.862127
  C      -4.889823      9.494123      2.429960
  C      -5.393311      9.346147      3.727106
  C      -5.088355      8.196767      4.453060
  F      -5.607948      8.080241      5.712351
  C      -4.294297      7.171793      3.928148
  C      -3.927192      5.915481      4.649477
  O      -3.413573      4.976276      4.052488
  C      -4.195590      5.783961      6.146017
  C      -3.813953      7.353580      2.615472
  C      -8.271812     -5.519279      4.736363
  C      -7.158636     -4.546318      5.101022
  O      -6.017818     -4.651850      4.644106
  C      -7.497154     -3.420594      6.038049
  C      -8.824836     -3.169236      6.490153
  C      -9.106747     -2.074251      7.321000
  C      -8.054683     -1.230530      7.685958
  F      -8.360416     -0.167511      8.488248
  C      -6.712828     -1.451499      7.280206
  C      -5.547377     -0.562811      7.611198
  O      -4.382470     -1.014282      7.577277
  C      -5.827786      0.916261      7.931294
  C      -6.459882     -2.569133      6.455070
  H      -0.427205     -3.944880     -0.411066
  H      -1.762535     -4.847410      0.403895
  H      -2.139472     -3.775598     -0.954651
  H      -4.074851     -4.118012      0.491730
  H      -6.309004     -3.567294      1.530464
  H      -4.261560      2.083960      3.280774
  H      -2.803443      1.140657      3.008117
  H      -2.255768     -0.771369      2.498347
  H      -3.484680     10.766184      0.189794
  H      -4.947382      9.959570     -0.465438
  H      -3.388713      9.785724     -1.316998
  H      -5.127374     10.400470      1.861204
  H      -6.020883     10.106053      4.185143
  H      -3.875077      6.698939      6.656324
  H      -5.271150      5.721907      6.267605
  H      -3.201013      6.578790      2.178906
  H      -8.737509     -5.953356      5.656327
  H      -7.845232     -6.316200      4.104740
  H      -9.099601     -5.003435      4.163203
  H      -9.651615     -3.823273      6.189673
  H     -10.127384     -1.863104      7.684772
  H      -6.260403      0.967807      8.945041
  H      -6.595184      1.287005      7.236547
  H      -5.429479     -2.755359      6.110227
  N      -5.659179      3.042682      5.505260
  H      -6.559305      3.124058      5.054927
88
Coordinates from ORCA-job orca E -6506.758354153831
  N      -3.102543      1.818255      4.964060
  Mo     -4.161736      2.805507      6.298105
  N      -4.653723      1.736748      7.867603
  C      -3.714804      1.564551      8.983961
  C      -2.317915      1.394562      8.417035
  N      -2.098487      2.467410      7.407334
  C      -1.127335      2.068132      6.344429
  C      -1.833822      1.182199      5.340975
  C      -1.725589      3.754034      8.049148
  C      -2.178240      4.892140      7.158991
  N      -3.556368      4.629516      6.740385
  H      -1.196060      1.062585      4.440111
  H      -2.013468      0.164714      5.751024
  H      -0.792119      2.987248      5.833313
  H      -0.242126      1.564032      6.786477
  H      -2.133915      5.844471      7.713020
  H      -1.524379      4.998983      6.272536
  H      -2.261997      3.810749      9.010039
  H      -0.639691      3.792703      8.252391
  H      -3.978185      0.676590      9.572133
  H      -3.773786      2.435462      9.661926
  H      -2.268814      0.420411      7.905561
  H      -1.536227      1.428355      9.201893
  C      -1.476570     -3.861651     -0.074480
  C      -1.656548     -2.706137      0.875375
  O      -0.709882     -1.981447      1.195311
  C      -3.025068     -2.443882      1.435541
  C      -4.143435     -3.239432      1.154001
  C      -5.384636     -2.947402      1.723826
  C      -5.493121     -1.864578      2.577899
  F      -6.697778     -1.596767      3.096048
  C      -4.402240     -1.031367      2.884986
  C      -4.513796      0.072715      3.879253
  O      -5.321438      0.018653      4.848658
  C      -3.633162      1.326453      3.698759
  C      -3.177887     -1.344879      2.285940
  C      -3.852898      9.802530     -0.330282
  C      -3.534180      8.578516      0.486426
  O      -2.832999      7.679824      0.044529
  C      -4.099585      8.477159      1.874280
  C      -4.897564      9.474916      2.448277
  C      -5.397343      9.332434      3.737083
  C      -5.086728      8.189845      4.445365
  F      -5.593793      8.069033      5.686036
  C      -4.293770      7.166920      3.918289
  C      -3.925615      5.914672      4.632107
  O      -3.411968      4.982982      4.022289
  C      -4.199630      5.788013      6.148426
  C      -3.815223      7.338913      2.614918
  C      -8.231256     -5.475875      4.726839
  C      -7.158394     -4.492064      5.114721
  O      -6.032012     -4.579462      4.661056
  C      -7.504020     -3.388650      6.057832
  C      -8.815687     -3.156217      6.496237
  C      -9.099533     -2.081854      7.320147
  C      -8.062847     -1.238581      7.693460
  F      -8.366265     -0.195528      8.487551
  C      -6.735039     -1.444350      7.301581
  C      -5.576447     -0.559565      7.635564
  O      -4.419675     -1.009683      7.602342
  C      -5.853601      0.923900      7.954447
  C      -6.483089     -2.540972      6.483681
  H      -0.427478     -3.903135     -0.394467
  H      -1.755138     -4.812724      0.410944
  H      -2.131427     -3.749238     -0.952492
  H      -4.058466     -4.097140      0.491336
  H      -6.265500     -3.552740      1.521067
  H      -4.296082      2.095822      3.241605
  H      -2.810714      1.141692      2.975580
  H      -2.287424     -0.758781      2.498262
  H      -3.490627     10.704336      0.177355
  H      -4.940217      9.919922     -0.462119
  H      -3.374365      9.716486     -1.307875
  H      -5.137908     10.373312      1.891216
  H      -6.024245     10.088038      4.199469
  H      -3.872396      6.719063      6.659153
  H      -5.293859      5.725364      6.280845
  H      -3.197365      6.557299      2.172614
  H      -8.688516     -5.930139      5.606407
  H      -7.798106     -6.252211      4.096105
  H      -9.031235     -4.971687      4.177463
  H      -9.629459     -3.809182      6.186314
  H     -10.107792     -1.883835      7.672849
  H      -6.287799      0.975714      8.973904
  H      -6.620063      1.297459      7.259474
  H      -5.463331     -2.713901      6.146971
  N      -5.650750      3.050503      5.520891
  H      -6.556050      3.145692      5.052100
88
Coordinates from ORCA-job orca E -6506.753119859616
  N      -3.114859      1.803936      4.972387
  Mo     -4.163781      2.802348      6.300770
  N      -4.651680      1.727934      7.862866
  C      -3.704970      1.551843      8.983908
  C      -2.306154      1.387684      8.408106
  N      -2.093049      2.461287      7.401734
  C      -1.128042      2.055530      6.338685
  C      -1.840882      1.160789      5.340161
  C      -1.716289      3.745916      8.041462
  C      -2.178324      4.881770      7.147281
  N      -3.561592      4.628136      6.735635
  H      -1.204919      1.032769      4.436635
  H      -2.020700      0.148413      5.755538
  H      -0.792209      2.971194      5.827665
  H      -0.240005      1.551217      6.780045
  H      -2.123525      5.834310      7.706239
  H      -1.526427      4.991489      6.256006
  H      -2.244204      3.808734      9.008751
  H      -0.632864      3.781708      8.239358
  H      -3.968154      0.656131      9.569454
  H      -3.769087      2.427546      9.667524
  H      -2.260436      0.415586      7.893938
  H      -1.516606      1.423912      9.184407
  C      -1.517731     -3.843366     -0.040302
  C      -1.695501     -2.682576      0.912179
  O      -0.749633     -1.958991      1.232248
  C      -3.064343     -2.417835      1.474298
  C      -4.176101     -3.216061      1.182829
  C      -5.413275     -2.934352      1.739041
  C      -5.537140     -1.856935      2.606222
  F      -6.747979     -1.593851      3.118009
  C      -4.450564     -1.023184      2.924313
  C      -4.556761      0.065678      3.916739
  O      -5.324564      0.017095      4.838163
  C      -3.660062      1.312260      3.727292
  C      -3.222796     -1.325447      2.328522
  C      -3.802180      9.803496     -0.357856
  C      -3.511328      8.580399      0.482217
  O      -2.799379      7.620902      0.066468
  C      -4.092350      8.508008      1.873227
  C      -4.884796      9.532927      2.432566
  C      -5.388407      9.406442      3.717062
  C      -5.091954      8.257718      4.445097
  F      -5.612839      8.169390      5.686851
  C      -4.305078      7.204484      3.934038
  C      -3.941680      5.936763      4.645670
  O      -3.446853      5.021241      4.032954
  C      -4.201485      5.797825      6.153059
  C      -3.824030      7.364124      2.632792
  C      -8.183842     -5.536817      4.712360
  C      -7.103261     -4.546562      5.087693
  O      -5.950176     -4.651178      4.621878
  C      -7.464918     -3.418742      6.028918
  C      -8.775516     -3.188405      6.473297
  C      -9.069218     -2.105665      7.306122
  C      -8.041141     -1.250155      7.680385
  F      -8.356604     -0.197077      8.493530
  C      -6.717017     -1.448755      7.280055
  C      -5.567778     -0.558063      7.617590
  O      -4.469481     -0.957303      7.594097
  C      -5.848123      0.913874      7.943220
  C      -6.455603     -2.552011      6.454141
  H      -0.477462     -3.890607     -0.363283
  H      -1.793592     -4.790960      0.444765
  H      -2.172205     -3.726755     -0.920740
  H      -4.079044     -4.073009      0.512434
  H      -6.284305     -3.542459      1.523674
  H      -4.322828      2.069582      3.268820
  H      -2.841760      1.138842      3.013591
  H      -2.331402     -0.735867      2.544850
  H      -3.440760     10.701136      0.130717
  H      -4.879649      9.930990     -0.495293
  H      -3.318030      9.696599     -1.331555
  H      -5.113522     10.435955      1.863950
  H      -6.009162     10.182639      4.165581
  H      -3.867110      6.707415      6.665395
  H      -5.294256      5.747781      6.290079
  H      -3.213366      6.565542      2.202623
  H      -8.653067     -5.979180      5.610546
  H      -7.744475     -6.328589      4.090253
  H      -8.978967     -5.035299      4.143946
  H      -9.584071     -3.853313      6.169358
  H     -10.079085     -1.912760      7.668654
  H      -6.282196      0.958105      8.958914
  H      -6.612447      1.286690      7.256242
  H      -5.435264     -2.724502      6.114547
  N      -5.714530      3.054224      5.497726
  H      -6.639560      3.150804      5.030410
88
Coordinates from ORCA-job orca E -6506.753331719458
  N      -3.101279      1.803360      4.973751
  Mo     -4.165002      2.802911      6.295568
  N      -4.650574      1.724895      7.865666
  C      -3.708472      1.552798      8.980385
  C      -2.308878      1.395303      8.414955
  N      -2.096572      2.464521      7.408591
  C      -1.129639      2.063586      6.359776
  C      -1.837567      1.169047      5.357466
  C      -1.730130      3.751910      8.052170
  C      -2.184066      4.893486      7.161756
  N      -3.562787      4.634908      6.740958
  H      -1.199275      1.040567      4.467420
  H      -2.015744      0.160741      5.774581
  H      -0.792980      2.974773      5.846179
  H      -0.256869      1.568180      6.807573
  H      -2.139181      5.847122      7.725852
  H      -1.528724      5.005022      6.272968
  H      -2.266766      3.810261      9.008801
  H      -0.650672      3.793822      8.259668
  H      -3.968841      0.658844      9.567513
  H      -3.777249      2.420744      9.661972
  H      -2.253190      0.427262      7.902028
  H      -1.530628      1.430190      9.196943
  C      -1.567709     -3.882929     -0.022995
  C      -1.716840     -2.732309      0.927677
  O      -0.774043     -2.051447      1.240019
  C      -3.068786     -2.448113      1.484054
  C      -4.189192     -3.237458      1.187745
  C      -5.427758     -2.941951      1.741475
  C      -5.546771     -1.855408      2.607346
  F      -6.766012     -1.581339      3.119403
  C      -4.446341     -1.025747      2.926440
  C      -4.545133      0.073740      3.915334
  O      -5.294243      0.041255      4.822429
  C      -3.645620      1.312935      3.729191
  C      -3.216836     -1.348326      2.336242
  C      -3.826300      9.842954     -0.339477
  C      -3.512995      8.608743      0.457003
  O      -2.826630      7.722263     -0.001367
  C      -4.074701      8.512178      1.841121
  C      -4.868519      9.541822      2.409666
  C      -5.377540      9.415918      3.706459
  C      -5.085103      8.258870      4.440637
  F      -5.617512      8.173144      5.699567
  C      -4.294162      7.198751      3.919096
  C      -3.934124      5.924198      4.639933
  O      -3.424832      4.963681      4.025581
  C      -4.206723      5.801533      6.152875
  C      -3.807584      7.360542      2.601187
  C      -8.152450     -5.525880      4.687852
  C      -7.095983     -4.527419      5.085394
  O      -5.973948     -4.600813      4.645501
  C      -7.449925     -3.423216      6.022036
  C      -8.762744     -3.202356      6.453513
  C      -9.057059     -2.126820      7.286321
  C      -8.031193     -1.270173      7.674550
  F      -8.349153     -0.225839      8.475890
  C      -6.701683     -1.461440      7.285254
  C      -5.554704     -0.562090      7.622029
  O      -4.386712     -0.998548      7.580657
  C      -5.846751      0.910858      7.953331
  C      -6.438504     -2.560831      6.457698
  H      -0.532067     -3.949644     -0.343893
  H      -1.859640     -4.818201      0.460105
  H      -2.216532     -3.758730     -0.905126
  H      -4.101109     -4.097515      0.519375
  H      -6.310303     -3.544749      1.523071
  H      -4.297713      2.064100      3.280670
  H      -2.839649      1.136429      3.019570
  H      -2.319079     -0.769254      2.558288
  H      -3.440423     10.745872      0.176864
  H      -4.918306      9.966008     -0.464058
  H      -3.358964      9.765163     -1.321153
  H      -5.096839     10.451991      1.840812
  H      -6.002197     10.199057      4.162202
  H      -3.872923      6.716339      6.668426
  H      -5.302582      5.755487      6.280834
  H      -3.196928      6.560044      2.163775
  H      -8.616479     -5.983160      5.562282
  H      -7.713874     -6.302702      4.062939
  H      -8.943953     -5.028759      4.133223
  H      -9.570240     -3.864539      6.136915
  H     -10.067491     -1.939552      7.633258
  H      -6.280558      0.950933      8.972443
  H      -6.618161      1.285471      7.263654
  H      -5.418814     -2.724382      6.125897
  N      -5.716463      3.074953      5.477744
  H      -6.613171      3.174634      5.024412
88
Coordinates from ORCA-job orca E -6506.755501025578
  N      -3.106260      1.822971      4.959624
  Mo     -4.165956      2.806555      6.290232
  N      -4.651527      1.737028      7.856377
  C      -3.710023      1.568146      8.965695
  C      -2.311915      1.406878      8.395805
  N      -2.097713      2.477054      7.391215
  C      -1.135974      2.084243      6.343840
  C      -1.844660      1.199442      5.343564
  C      -1.727764      3.757536      8.030606
  C      -2.183033      4.894355      7.146895
  N      -3.561599      4.631861      6.732438
  H      -1.210852      1.080239      4.459622
  H      -2.024844      0.193368      5.750977
  H      -0.800836      2.994043      5.836284
  H      -0.261635      1.590724      6.784892
  H      -2.136591      5.842626      7.704297
  H      -1.532022      5.007209      6.264179
  H      -2.259066      3.811639      8.986113
  H      -0.644044      3.799853      8.232640
  H      -3.970780      0.678329      9.552374
  H      -3.771262      2.434793      9.643034
  H      -2.261208      0.442191      7.887723
  H      -1.537050      1.443194      9.172697
  C      -1.470035     -3.878479     -0.069056
  C      -1.656659     -2.715435      0.882312
  O      -0.710997     -1.983273      1.205514
  C      -3.024560     -2.455795      1.439149
  C      -4.142722     -3.258923      1.155083
  C      -5.380322     -2.965906      1.719383
  C      -5.492691     -1.879016      2.574738
  F      -6.709312     -1.611787      3.096110
  C      -4.401004     -1.038997      2.882636
  C      -4.515050      0.068879      3.877554
  O      -5.334075      0.011670      4.857017
  C      -3.637593      1.325906      3.701638
  C      -3.179524     -1.353145      2.287046
  C      -3.843657      9.811674     -0.327788
  C      -3.533826      8.582366      0.492698
  O      -2.851987      7.694668      0.041684
  C      -4.091472      8.483855      1.884787
  C      -4.875198      9.490797      2.458056
  C      -5.370624      9.352425      3.751518
  C      -5.071183      8.205238      4.467542
  F      -5.580165      8.095859      5.719469
  C      -4.292285      7.172203      3.938657
  C      -3.935864      5.917732      4.648245
  O      -3.432763      4.983569      4.044267
  C      -4.205852      5.792007      6.148702
  C      -3.818454      7.342255      2.632214
  C      -8.234190     -5.495896      4.736746
  C      -7.151394     -4.512757      5.113223
  O      -6.006850     -4.610193      4.647497
  C      -7.499737     -3.400752      6.053165
  C      -8.819362     -3.162764      6.496460
  C      -9.105250     -2.080729      7.323368
  C      -8.067907     -1.235446      7.696697
  F      -8.377267     -0.183629      8.493936
  C      -6.732716     -1.444562      7.298711
  C      -5.575313     -0.557267      7.626953
  O      -4.391689     -1.016514      7.585654
  C      -5.849478      0.919420      7.947739
  C      -6.478623     -2.549997      6.475440
  H      -0.421080     -3.921139     -0.391810
  H      -1.745417     -4.828853      0.417030
  H      -2.120153     -3.768174     -0.945722
  H      -4.056311     -4.119894      0.494451
  H      -6.260298     -3.575236      1.513719
  H      -4.294796      2.076349      3.250761
  H      -2.825749      1.150108      2.990575
  H      -2.288629     -0.763892      2.499090
  H      -3.464980     10.726985      0.175624
  H      -4.932471      9.933579     -0.450423
  H      -3.369719      9.717681     -1.319437
  H      -5.107812     10.393269      1.898013
  H      -5.988006     10.118607      4.214243
  H      -3.873507      6.713001      6.660348
  H      -5.296287      5.740616      6.282045
  H      -3.212804      6.555175      2.189531
  H      -8.695902     -5.946377      5.633420
  H      -7.800703     -6.283438      4.105528
  H      -9.043393     -4.980667      4.178038
  H      -9.633886     -3.817579      6.188247
  H     -10.119030     -1.877694      7.679663
  H      -6.279010      0.966685      8.961599
  H      -6.618457      1.289856      7.258883
  H      -5.455465     -2.728249      6.134921
  N      -5.686380      3.053386      5.506954
  H      -6.597856      3.144837      5.050561
88
Coordinates from ORCA-job orca E -6506.754788864229
  N      -3.093468      1.815041      4.960734
  Mo     -4.145187      2.798897      6.280093
  N      -4.633613      1.727711      7.838776
  C      -3.698069      1.558268      8.952076
  C      -2.309993      1.400872      8.393091
  N      -2.091125      2.469232      7.390268
  C      -1.123517      2.071758      6.340902
  C      -1.825132      1.181318      5.335324
  C      -1.721767      3.754969      8.033153
  C      -2.174952      4.886384      7.139124
  N      -3.555150      4.625407      6.721043
  H      -1.187344      1.061106      4.440584
  H      -2.002527      0.166451      5.744633
  H      -0.788819      2.989066      5.834146
  H      -0.249539      1.574169      6.786678
  H      -2.128339      5.834020      7.692867
  H      -1.520635      4.991492      6.256567
  H      -2.256333      3.817940      8.988324
  H      -0.640831      3.794484      8.240075
  H      -3.959328      0.666033      9.533431
  H      -3.766310      2.424383      9.626927
  H      -2.260075      0.427216      7.884815
  H      -1.532936      1.440494      9.170872
  C      -1.457338     -3.903314     -0.009827
  C      -1.631258     -2.745276      0.923918
  O      -0.671180     -2.033173      1.249491
  C      -3.015135     -2.461620      1.470247
  C      -4.157283     -3.246595      1.185459
  C      -5.424022     -2.942649      1.738993
  C      -5.533073     -1.859705      2.585479
  F      -6.748339     -1.574992      3.072513
  C      -4.418978     -1.036231      2.899523
  C      -4.526279      0.067677      3.885581
  O      -5.320505      0.027357      4.830344
  C      -3.631083      1.320445      3.703755
  C      -3.167809     -1.360204      2.310321
  C      -3.853061      9.852322     -0.311402
  C      -3.545371      8.617142      0.498306
  O      -2.828299      7.690763      0.060844
  C      -4.118682      8.512578      1.885491
  C      -4.919450      9.513803      2.466601
  C      -5.419263      9.364391      3.753212
  C      -5.106500      8.212459      4.456376
  F      -5.620522      8.092317      5.697029
  C      -4.310406      7.184478      3.923196
  C      -3.931068      5.919485      4.622745
  O      -3.428737      4.998226      3.998968
  C      -4.194117      5.784606      6.140644
  C      -3.834384      7.364683      2.619399
  C      -8.265248     -5.500713      4.731980
  C      -7.176307     -4.522482      5.101316
  O      -6.055703     -4.619759      4.651328
  C      -7.505171     -3.403097      6.032298
  C      -8.809616     -3.163301      6.481607
  C      -9.079093     -2.083140      7.310743
  C      -8.037338     -1.239260      7.675788
  F      -8.329399     -0.193580      8.482253
  C      -6.717633     -1.447684      7.270911
  C      -5.555756     -0.564561      7.598744
  O      -4.446410     -0.977130      7.571767
  C      -5.828814      0.915699      7.922949
  C      -6.479511     -2.550326      6.450775
  H      -0.400258     -3.967331     -0.316915
  H      -1.752106     -4.844517      0.489817
  H      -2.103630     -3.781341     -0.903663
  H      -4.069636     -4.106068      0.527219
  H      -6.323705     -3.539645      1.527096
  H      -4.300906      2.085353      3.245710
  H      -2.802774      1.150474      2.982667
  H      -2.261551     -0.780872      2.528743
  H      -3.488378     10.752856      0.201825
  H      -4.941089      9.974356     -0.448208
  H      -3.368329      9.767969     -1.284806
  H      -5.161397     10.421932      1.916148
  H      -6.048852     10.124450      4.219161
  H      -3.863388      6.703599      6.657211
  H      -5.279877      5.720022      6.275816
  H      -3.215828      6.583058      2.173414
  H      -8.721176     -5.934505      5.625516
  H      -7.847128     -6.288755      4.110004
  H      -9.070171     -4.998732      4.176063
  H      -9.629276     -3.818476      6.183988
  H     -10.081288     -1.882927      7.675523
  H      -6.257246      0.965000      8.942352
  H      -6.591909      1.289781      7.235265
  H      -5.465321     -2.728219      6.108250
  N      -5.616730      3.039926      5.502781
  H      -6.517280      3.138747      5.036591
88
Coordinates from ORCA-job orca E -6506.757466089662
  N      -3.116818      1.802400      4.973812
  Mo     -4.168706      2.803997      6.304606
  N      -4.651741      1.728190      7.870903
  C      -3.707412      1.547710      8.989761
  C      -2.310286      1.382743      8.417362
  N      -2.098545      2.455203      7.409866
  C      -1.133988      2.048241      6.345611
  C      -1.847572      1.155863      5.344387
  C      -1.722709      3.743161      8.052191
  C      -2.177437      4.883680      7.159664
  N      -3.559067      4.632112      6.744324
  H      -1.212088      1.027053      4.440544
  H      -2.026674      0.139757      5.760855
  H      -0.798303      2.964061      5.829883
  H      -0.247945      1.541769      6.788400
  H      -2.123076      5.837697      7.719520
  H      -1.525146      4.989763      6.268379
  H      -2.253527      3.806435      9.016568
  H      -0.639862      3.778698      8.252812
  H      -3.969744      0.652835      9.574894
  H      -3.771012      2.419145      9.675562
  H      -2.260940      0.409406      7.898569
  H      -1.521201      1.413905      9.198997
  C      -1.558219     -3.866914     -0.023846
  C      -1.724950     -2.708876      0.934301
  O      -0.788598     -2.008213      1.259015
  C      -3.080948     -2.431242      1.489569
  C      -4.183444     -3.221244      1.184933
  C      -5.414956     -2.930027      1.733437
  C      -5.541070     -1.846313      2.603444
  F      -6.744227     -1.575348      3.110238
  C      -4.461631     -1.018338      2.931478
  C      -4.565627      0.076450      3.920392
  O      -5.319079      0.042161      4.832560
  C      -3.665397      1.314517      3.726063
  C      -3.240849     -1.333126      2.348314
  C      -3.822010      9.813885     -0.353185
  C      -3.520553      8.588139      0.468673
  O      -2.823956      7.661881      0.032659
  C      -4.088906      8.502890      1.857148
  C      -4.876219      9.520215      2.423422
  C      -5.377678      9.391730      3.713851
  C      -5.082259      8.245184      4.439163
  F      -5.601190      8.150593      5.683527
  C      -4.299760      7.199267      3.921838
  C      -3.938270      5.932210      4.640921
  O      -3.439817      4.997131      4.028896
  C      -4.201037      5.801139      6.156298
  C      -3.820841      7.360867      2.611964
  C      -8.133330     -5.511925      4.693982
  C      -7.064404     -4.519775      5.078799
  O      -5.909392     -4.606264      4.619898
  C      -7.438741     -3.408352      6.020956
  C      -8.762612     -3.183436      6.456293
  C      -9.066808     -2.108735      7.283161
  C      -8.040237     -1.256639      7.665667
  F      -8.364243     -0.212141      8.462318
  C      -6.704567     -1.450893      7.277849
  C      -5.560445     -0.555485      7.619219
  O      -4.430168     -0.972084      7.587105
  C      -5.849912      0.919516      7.951920
  C      -6.430043     -2.547183      6.454362
  H      -0.518663     -3.922525     -0.342461
  H      -1.845417     -4.813836      0.459204
  H      -2.199879     -3.751187     -0.908212
  H      -4.087072     -4.080571      0.512025
  H      -6.282336     -3.533657      1.508178
  H      -4.328018      2.082466      3.269084
  H      -2.846067      1.132175      3.001934
  H      -2.356788     -0.749719      2.577220
  H      -3.448309     10.707900      0.144450
  H      -4.902675      9.943565     -0.483251
  H      -3.348525      9.720615     -1.328524
  H      -5.105118     10.422585      1.858054
  H      -5.995777     10.162163      4.167399
  H      -3.864243      6.716225      6.666963
  H      -5.295675      5.753374      6.291864
  H      -3.214211      6.567774      2.176804
  H      -8.603704     -5.968222      5.585363
  H      -7.683033     -6.294814      4.068932
  H      -8.937870     -5.005298      4.128850
  H      -9.569079     -3.844106      6.142409
  H     -10.084821     -1.918708      7.631734
  H      -6.285464      0.958851      8.974561
  H      -6.618377      1.300855      7.262318
  H      -5.400447     -2.712881      6.121747
  N      -5.710774      3.072711      5.499804
  H      -6.629832      3.177704      5.041223
88
Coordinates from ORCA-job orca E -6506.755775776820
  N      -3.103639      1.820144      4.959243
  Mo     -4.158556      2.805345      6.292638
  N      -4.649585      1.729329      7.857355
  C      -3.704452      1.557790      8.967708
  C      -2.302705      1.397508      8.393346
  N      -2.088327      2.470321      7.392836
  C      -1.125713      2.077358      6.343579
  C      -1.837328      1.193657      5.338811
  C      -1.714366      3.748243      8.035093
  C      -2.170378      4.887370      7.152862
  N      -3.554739      4.631022      6.739906
  H      -1.202912      1.077234      4.452104
  H      -2.015645      0.186007      5.743373
  H      -0.787690      2.987469      5.841286
  H      -0.248900      1.578967      6.783640
  H      -2.119724      5.834961      7.712140
  H      -1.519553      4.997884      6.269833
  H      -2.244152      3.802068      8.993048
  H      -0.629250      3.786701      8.235340
  H      -3.965743      0.663828      9.550543
  H      -3.764753      2.424678      9.650410
  H      -2.253986      0.435804      7.884051
  H      -1.523504      1.432995      9.169693
  C      -1.467317     -3.870186     -0.036001
  C      -1.649652     -2.711588      0.905418
  O      -0.699981     -1.999406      1.222928
  C      -3.027265     -2.442651      1.455690
  C      -4.154053     -3.239002      1.172132
  C      -5.393196     -2.945121      1.724159
  C      -5.507212     -1.860341      2.576175
  F      -6.742032     -1.590577      3.089037
  C      -4.405185     -1.025953      2.885551
  C      -4.516280      0.074355      3.876096
  O      -5.316017      0.018139      4.827310
  C      -3.637783      1.327383      3.704957
  C      -3.177959     -1.341952      2.294709
  C      -3.838924      9.823048     -0.354822
  C      -3.531539      8.589226      0.469888
  O      -2.846910      7.699480      0.023985
  C      -4.091516      8.498726      1.866519
  C      -4.877495      9.522829      2.430946
  C      -5.375943      9.396404      3.731584
  C      -5.079219      8.242723      4.467905
  F      -5.596872      8.149564      5.727433
  C      -4.296761      7.190952      3.946918
  C      -3.938764      5.931713      4.662917
  O      -3.443701      4.994825      4.057041
  C      -4.199255      5.801516      6.164443
  C      -3.820438      7.351346      2.632782
  C      -8.246914     -5.539689      4.711989
  C      -7.173702     -4.546028      5.096421
  O      -6.052589     -4.642202      4.636861
  C      -7.507598     -3.424995      6.041953
  C      -8.810806     -3.194197      6.494638
  C      -9.090450     -2.107122      7.340860
  C      -8.056605     -1.248998      7.714580
  F      -8.362023     -0.191561      8.540745
  C      -6.733876     -1.451705      7.300611
  C      -5.577917     -0.558106      7.625841
  O      -4.394654     -1.014632      7.583571
  C      -5.849915      0.913944      7.950583
  C      -6.489336     -2.561995      6.465399
  H      -0.415593     -3.922956     -0.347756
  H      -1.751481     -4.813957      0.448636
  H      -2.117718     -3.750207     -0.914398
  H      -4.069116     -4.097601      0.514896
  H      -6.279475     -3.548656      1.516605
  H      -4.289296      2.075989      3.263479
  H      -2.835445      1.155373      2.994263
  H      -2.276517     -0.758684      2.504409
  H      -3.463111     10.735979      0.146152
  H      -4.926247      9.950487     -0.479751
  H      -3.362225      9.727096     -1.346269
  H      -5.108104     10.428244      1.857829
  H      -5.994231     10.175269      4.186316
  H      -3.863553      6.718383      6.677504
  H      -5.289456      5.750289      6.301101
  H      -3.213955      6.552863      2.196707
  H      -8.701482     -5.989990      5.598622
  H      -7.825110     -6.327737      4.076977
  H      -9.040827     -5.036964      4.164376
  H      -9.623566     -3.858633      6.190136
  H     -10.096149     -1.911664      7.711722
  H      -6.275838      0.959129      8.961884
  H      -6.620291      1.283695      7.266716
  H      -5.476493     -2.734725      6.116760
  N      -5.724282      3.062500      5.488420
  H      -6.639548      3.164108      5.027813
88
Coordinates from ORCA-job orca E -6506.756829390581
  N      -3.099772      1.819383      4.966851
  Mo     -4.156098      2.803569      6.285261
  N      -4.645329      1.733354      7.846135
  C      -3.709587      1.565143      8.958761
  C      -2.316132      1.409275      8.397249
  N      -2.099019      2.479361      7.392528
  C      -1.134368      2.083277      6.347689
  C      -1.836696      1.193046      5.347809
  C      -1.731178      3.766399      8.028897
  C      -2.184406      4.895447      7.132789
  N      -3.561568      4.630517      6.716583
  H      -1.199557      1.071584      4.461544
  H      -2.017200      0.186012      5.758683
  H      -0.798021      2.994803      5.838637
  H      -0.264413      1.592184      6.792949
  H      -2.138065      5.846422      7.684475
  H      -1.527925      5.003649      6.249749
  H      -2.265526      3.828769      8.984985
  H      -0.649213      3.809075      8.234196
  H      -3.972126      0.672776      9.541022
  H      -3.776437      2.432426      9.632879
  H      -2.264093      0.438959      7.890872
  H      -1.541999      1.451059      9.173450
  C      -1.496735     -3.916897     -0.027864
  C      -1.668548     -2.747933      0.920225
  O      -0.721570     -2.024592      1.260486
  C      -3.031169     -2.469458      1.458198
  C      -4.152745     -3.262982      1.158795
  C      -5.403605     -2.958372      1.716511
  C      -5.518427     -1.867952      2.577090
  F      -6.729709     -1.584948      3.078001
  C      -4.418494     -1.037907      2.897791
  C      -4.523699      0.071620      3.889332
  O      -5.325786      0.030161      4.848073
  C      -3.635683      1.322093      3.714361
  C      -3.185023     -1.363428      2.308603
  C      -3.855843      9.832265     -0.286891
  C      -3.538147      8.599915      0.507619
  O      -2.849427      7.716449      0.050076
  C      -4.098494      8.490755      1.887812
  C      -4.893600      9.495200      2.469429
  C      -5.393496      9.351957      3.752348
  C      -5.086927      8.202655      4.452950
  F      -5.598997      8.090401      5.697080
  C      -4.296266      7.170504      3.917497
  C      -3.927869      5.909505      4.618481
  O      -3.415036      4.961225      3.992831
  C      -4.198950      5.786725      6.130546
  C      -3.818355      7.345370      2.617558
  C      -8.221788     -5.470161      4.736038
  C      -7.131782     -4.492212      5.099536
  O      -5.987144     -4.580867      4.636416
  C      -7.483781     -3.390390      6.036202
  C      -8.804045     -3.159158      6.483041
  C      -9.087306     -2.088364      7.300170
  C      -8.047991     -1.246141      7.664994
  F      -8.354173     -0.208600      8.453248
  C      -6.715705     -1.447591      7.271139
  C      -5.558434     -0.563763      7.606317
  O      -4.400683     -0.999945      7.575975
  C      -5.838857      0.915232      7.928677
  C      -6.461150     -2.542416      6.453657
  H      -0.456024     -3.977776     -0.333068
  H      -1.794194     -4.853799      0.455185
  H      -2.128980     -3.805466     -0.917914
  H      -4.061609     -4.127946      0.492969
  H      -6.286089     -3.561289      1.497524
  H      -4.294269      2.073550      3.265317
  H      -2.824824      1.151461      3.003320
  H      -2.292272     -0.780146      2.533753
  H      -3.481405     10.738205      0.231549
  H      -4.949646      9.952556     -0.411577
  H      -3.382728      9.750843     -1.268177
  H      -5.131729     10.400407      1.921988
  H      -6.019194     10.116347      4.219318
  H      -3.866680      6.706317      6.643017
  H      -5.287617      5.729762      6.263602
  H      -3.204407      6.561477      2.169956
  H      -8.673478     -5.919232      5.643613
  H      -7.783815     -6.249267      4.105932
  H      -9.050588     -4.961733      4.179035
  H      -9.620287     -3.811545      6.181582
  H     -10.099401     -1.892332      7.656026
  H      -6.270900      0.962889      8.944410
  H      -6.603863      1.286104      7.237570
  H      -5.437102     -2.715253      6.112388
  N      -5.643267      3.042510      5.509958
  H      -6.533830      3.141396      5.058121
88
Coordinates from ORCA-job orca E -6506.754848341556
  N      -3.120032      1.800768      4.959237
  Mo     -4.168527      2.804424      6.293045
  N      -4.647088      1.733402      7.859098
  C      -3.703945      1.552754      8.976175
  C      -2.311050      1.383339      8.401057
  N      -2.098686      2.454042      7.392693
  C      -1.137834      2.044873      6.329513
  C      -1.855733      1.155713      5.330029
  C      -1.717857      3.739884      8.035392
  C      -2.172623      4.882063      7.146642
  N      -3.553626      4.631051      6.735791
  H      -1.223774      1.027073      4.431113
  H      -2.038061      0.141653      5.743086
  H      -0.799326      2.958470      5.813034
  H      -0.253666      1.538097      6.769929
  H      -2.115368      5.834895      7.707340
  H      -1.523436      4.989655      6.253769
  H      -2.244977      3.803362      8.998657
  H      -0.635400      3.773745      8.233944
  H      -3.965178      0.657865      9.562984
  H      -3.765145      2.422939      9.660728
  H      -2.265250      0.408272      7.883503
  H      -1.524142      1.412696      9.180905
  C      -1.501884     -3.886108     -0.005179
  C      -1.683384     -2.726581      0.942289
  O      -0.740653     -2.020217      1.261737
  C      -3.054564     -2.451471      1.490823
  C      -4.168871     -3.248536      1.192448
  C      -5.420004     -2.956175      1.739713
  C      -5.546249     -1.869792      2.595083
  F      -6.759986     -1.601922      3.097300
  C      -4.459813     -1.033685      2.919610
  C      -4.575461      0.069956      3.906793
  O      -5.346681      0.038417      4.826448
  C      -3.669981      1.310618      3.707127
  C      -3.222536     -1.348219      2.339459
  C      -3.839204      9.833182     -0.358166
  C      -3.542860      8.606918      0.474194
  O      -2.842624      7.658354      0.034718
  C      -4.106331      8.519517      1.876864
  C      -4.884286      9.525876      2.458477
  C      -5.373285      9.384888      3.757113
  C      -5.074516      8.238121      4.470146
  F      -5.579085      8.129383      5.722957
  C      -4.302094      7.203954      3.936601
  C      -3.940700      5.936258      4.645709
  O      -3.451684      5.020570      4.040719
  C      -4.197721      5.796351      6.153440
  C      -3.835096      7.377372      2.622376
  C      -8.154500     -5.496267      4.696870
  C      -7.090394     -4.508007      5.089678
  O      -5.952862     -4.593713      4.648894
  C      -7.455120     -3.396447      6.025086
  C      -8.774626     -3.165395      6.459744
  C      -9.070736     -2.090702      7.286660
  C      -8.042396     -1.244638      7.667090
  F      -8.357328     -0.202171      8.463706
  C      -6.710144     -1.443808      7.276370
  C      -5.563936     -0.553876      7.613966
  O      -4.467781     -0.958897      7.587041
  C      -5.845740      0.925785      7.942692
  C      -6.443901     -2.540968      6.454889
  H      -0.446057     -3.937795     -0.322747
  H      -1.787112     -4.841310      0.487456
  H      -2.149617     -3.771066     -0.893595
  H      -4.070331     -4.110714      0.529953
  H      -6.297505     -3.565169      1.519653
  H      -4.336491      2.083005      3.240270
  H      -2.841417      1.123109      2.981540
  H      -2.333757     -0.759861      2.566584
  H      -3.458842     10.739025      0.136620
  H      -4.918445      9.960438     -0.480814
  H      -3.369166      9.734005     -1.342729
  H      -5.115900     10.430014      1.899416
  H      -5.984111     10.147503      4.224571
  H      -3.860570      6.711624      6.666443
  H      -5.292990      5.745867      6.292912
  H      -3.235200      6.591847      2.174978
  H      -8.627376     -5.948773      5.575719
  H      -7.711382     -6.278733      4.076535
  H      -8.946955     -4.989520      4.132612
  H      -9.582639     -3.823049      6.147360
  H     -10.083619     -1.895733      7.637286
  H      -6.282227      0.967762      8.968826
  H      -6.614136      1.310567      7.252382
  H      -5.417942     -2.711572      6.121164
  N      -5.684791      3.064853      5.508698
  H      -6.604049      3.167199      5.051502
88
Coordinates from ORCA-job orca E -6506.756591483858
  N      -3.093811      1.820747      4.968420
  Mo     -4.150531      2.799205      6.288880
  N      -4.643644      1.725473      7.850026
  C      -3.704383      1.559554      8.964646
  C      -2.306585      1.403996      8.402592
  N      -2.091179      2.471187      7.404916
  C      -1.121040      2.080302      6.354616
  C      -1.822651      1.193115      5.347851
  C      -1.725101      3.753728      8.045122
  C      -2.178921      4.887211      7.152563
  N      -3.558797      4.625112      6.728539
  H      -1.182656      1.078196      4.453265
  H      -1.997700      0.178872      5.756545
  H      -0.783024      2.996439      5.856324
  H      -0.242968      1.583411      6.797225
  H      -2.137921      5.836797      7.704432
  H      -1.521827      4.994913      6.275590
  H      -2.262659      3.809935      8.999890
  H      -0.643104      3.793685      8.251685
  H      -3.967584      0.670557      9.541579
  H      -3.768651      2.424195      9.641329
  H      -2.253601      0.439759      7.896087
  H      -1.527016      1.447670      9.181041
  C      -1.519866     -3.870666     -0.027536
  C      -1.692425     -2.711260      0.912348
  O      -0.743133     -2.009914      1.217899
  C      -3.063808     -2.430912      1.474066
  C      -4.193306     -3.213591      1.196841
  C      -5.417973     -2.917185      1.749466
  C      -5.513775     -1.840364      2.598072
  F      -6.715644     -1.566889      3.104997
  C      -4.414837     -1.018339      2.907040
  C      -4.510201      0.075082      3.894211
  O      -5.277374      0.027150      4.814694
  C      -3.627200      1.327284      3.718233
  C      -3.199315     -1.336290      2.314290
  C      -3.817278      9.841573     -0.322069
  C      -3.517908      8.598209      0.494027
  O      -2.815092      7.664125      0.065527
  C      -4.093484      8.510811      1.871220
  C      -4.889673      9.537022      2.429869
  C      -5.396064      9.406134      3.709027
  C      -5.093898      8.246015      4.431696
  F      -5.611347      8.146908      5.665489
  C      -4.302177      7.193031      3.918192
  C      -3.935036      5.924741      4.626696
  O      -3.431708      4.984066      4.008203
  C      -4.202671      5.795504      6.143013
  C      -3.819019      7.356487      2.621916
  C      -8.230752     -5.578586      4.726426
  C      -7.144515     -4.577940      5.092360
  O      -6.007680     -4.681482      4.625431
  C      -7.484467     -3.441897      6.029407
  C      -8.791242     -3.205472      6.471253
  C      -9.076724     -2.107831      7.307329
  C      -8.041388     -1.246586      7.681885
  F      -8.350707     -0.177057      8.497887
  C      -6.715636     -1.455867      7.280826
  C      -5.563828     -0.560162      7.616529
  O      -4.401388     -1.008160      7.587757
  C      -5.839305      0.908265      7.931653
  C      -6.464031     -2.573128      6.453958
  H      -0.470985     -3.929581     -0.340962
  H      -1.809774     -4.808876      0.458850
  H      -2.166966     -3.754161     -0.907427
  H      -4.121424     -4.067080      0.539705
  H      -6.302284     -3.513558      1.541595
  H      -4.284610      2.087426      3.276195
  H      -2.818143      1.153445      2.996549
  H      -2.297986     -0.758062      2.521417
  H      -3.450191     10.730178      0.183285
  H      -4.906523      9.992067     -0.466385
  H      -3.330039      9.745412     -1.286834
  H      -5.122958     10.448050      1.867324
  H      -6.021081     10.184548      4.157719
  H      -3.873312      6.713935      6.658149
  H      -5.292221      5.738716      6.272660
  H      -3.203877      6.556783      2.190997
  H      -8.686365     -6.021310      5.636252
  H      -7.802665     -6.376378      4.095861
  H      -9.039398     -5.079077      4.166884
  H      -9.605391     -3.873246      6.166186
  H     -10.085298     -1.908032      7.667958
  H      -6.275170      0.956768      8.936355
  H      -6.601095      1.270398      7.240450
  H      -5.447551     -2.749617      6.116994
  N      -5.695186      3.047089      5.491664
  H      -6.620640      3.159758      5.027006
88
Coordinates from ORCA-job orca E -6506.755182435137
  N      -3.112062      1.821948      4.965249
  Mo     -4.166340      2.808004      6.304826
  N      -4.652632      1.728388      7.870253
  C      -3.707922      1.550391      8.981327
  C      -2.309658      1.389842      8.406485
  N      -2.096923      2.468843      7.401767
  C      -1.134872      2.073331      6.344200
  C      -1.843248      1.187940      5.338467
  C      -1.723289      3.752423      8.044136
  C      -2.180029      4.890177      7.157737
  N      -3.561661      4.633253      6.744627
  H      -1.208034      1.070425      4.444131
  H      -2.022192      0.175244      5.744550
  H      -0.798579      2.988718      5.836767
  H      -0.256309      1.573132      6.784090
  H      -2.128130      5.840829      7.716469
  H      -1.526450      5.001529      6.271132
  H      -2.252158      3.809352      9.005968
  H      -0.637950      3.791538      8.242547
  H      -3.970022      0.652750      9.564132
  H      -3.768760      2.419162      9.664871
  H      -2.260685      0.421750      7.891915
  H      -1.528189      1.423933      9.182832
  C      -1.474197     -3.877073     -0.050345
  C      -1.650381     -2.715373      0.897372
  O      -0.702817     -1.989841      1.233090
  C      -3.018870     -2.445593      1.441526
  C      -4.132040     -3.241773      1.141939
  C      -5.384190     -2.945608      1.704081
  C      -5.514112     -1.857370      2.574902
  F      -6.741772     -1.582525      3.090293
  C      -4.419593     -1.024900      2.893060
  C      -4.535179      0.077922      3.889418
  O      -5.341092      0.025398      4.854169
  C      -3.651180      1.330851      3.709702
  C      -3.183023     -1.343196      2.297209
  C      -3.844878      9.808042     -0.347836
  C      -3.528329      8.586047      0.459370
  O      -2.854903      7.727732      0.002905
  C      -4.084263      8.480868      1.852206
  C      -4.873892      9.493452      2.419452
  C      -5.377550      9.365614      3.723942
  C      -5.079760      8.219918      4.459807
  F      -5.598313      8.122647      5.724221
  C      -4.294393      7.178280      3.937102
  C      -3.936659      5.923947      4.659776
  O      -3.432929      4.983621      4.049287
  C      -4.201977      5.797098      6.165839
  C      -3.812047      7.339760      2.616165
  C      -8.230637     -5.487839      4.718407
  C      -7.154134     -4.505133      5.090822
  O      -6.029320     -4.590927      4.622216
  C      -7.497799     -3.402671      6.042852
  C      -8.807847     -3.176893      6.500278
  C      -9.088844     -2.104804      7.338031
  C      -8.052881     -1.256441      7.706662
  F      -8.357264     -0.215937      8.518584
  C      -6.727729     -1.453952      7.297844
  C      -5.568980     -0.566887      7.629094
  O      -4.388152     -1.014110      7.585763
  C      -5.849030      0.910641      7.959981
  C      -6.478765     -2.549112      6.464671
  H      -0.432369     -3.932636     -0.359062
  H      -1.764155     -4.819686      0.433369
  H      -2.116100     -3.758530     -0.937306
  H      -4.032902     -4.103897      0.470719
  H      -6.261512     -3.551321      1.485926
  H      -4.311473      2.084599      3.261257
  H      -2.839856      1.161194      2.995809
  H      -2.292156     -0.758458      2.518944
  H      -3.474793     10.714502      0.159029
  H      -4.928552      9.920679     -0.464596
  H      -3.374411      9.726132     -1.337493
  H      -5.105460     10.393963      1.847528
  H      -5.999502     10.138302      4.179460
  H      -3.869321      6.714029      6.676683
  H      -5.288275      5.742988      6.301794
  H      -3.202721      6.548467      2.179800
  H      -8.673187     -5.942220      5.608888
  H      -7.800781     -6.262256      4.081660
  H      -9.046481     -4.983536      4.177194
  H      -9.621193     -3.833199      6.196822
  H     -10.096515     -1.912875      7.706501
  H      -6.274974      0.954317      8.979241
  H      -6.620845      1.284569      7.275187
  H      -5.461478     -2.717802      6.114192
  N      -5.701842      3.061926      5.513809
  H      -6.605689      3.166453      5.064047
88
Coordinates from ORCA-job orca E -6506.756720132304
  N      -3.100644      1.805633      4.951942
  Mo     -4.153265      2.800991      6.270132
  N      -4.636105      1.733688      7.830707
  C      -3.700738      1.563416      8.949960
  C      -2.305840      1.402119      8.384584
  N      -2.092408      2.468835      7.378946
  C      -1.132186      2.067178      6.335997
  C      -1.841762      1.181038      5.334307
  C      -1.714615      3.756957      8.012240
  C      -2.165146      4.891246      7.113815
  N      -3.544480      4.634491      6.700755
  H      -1.205831      1.061604      4.455239
  H      -2.020956      0.175910      5.740773
  H      -0.787082      2.975243      5.832955
  H      -0.258432      1.568554      6.779550
  H      -2.111504      5.847018      7.667138
  H      -1.511206      4.993369      6.225076
  H      -2.245745      3.827401      8.968513
  H      -0.634310      3.795599      8.218113
  H      -3.962877      0.665757      9.533757
  H      -3.767985      2.433960      9.634327
  H      -2.258288      0.427705      7.877404
  H      -1.524488      1.442717      9.162113
  C      -1.519063     -3.949728      0.029647
  C      -1.695048     -2.776005      0.956586
  O      -0.747024     -2.063704      1.257669
  C      -3.060047     -2.496436      1.500426
  C      -4.185803     -3.302916      1.213385
  C      -5.426483     -3.002912      1.748981
  C      -5.539169     -1.898890      2.595501
  F      -6.768965     -1.626388      3.116622
  C      -4.435880     -1.053948      2.906107
  C      -4.536462      0.062921      3.892203
  O      -5.332611      0.037039      4.842219
  C      -3.639263      1.301171      3.702086
  C      -3.209680     -1.377733      2.332083
  C      -3.854723      9.875375     -0.290411
  C      -3.566746      8.622944      0.520234
  O      -2.882930      7.696372      0.058657
  C      -4.122025      8.528422      1.912657
  C      -4.895712      9.540356      2.511586
  C      -5.380717      9.393118      3.797482
  C      -5.081679      8.237428      4.480479
  F      -5.582774      8.123718      5.723941
  C      -4.310604      7.198120      3.930469
  C      -3.943792      5.923980      4.614703
  O      -3.465363      4.995099      3.996140
  C      -4.190737      5.795633      6.122646
  C      -3.848703      7.377094      2.628233
  C      -8.138364     -5.494953      4.709630
  C      -7.082626     -4.487083      5.107701
  O      -5.935111     -4.559489      4.686327
  C      -7.461547     -3.378724      6.019946
  C      -8.797015     -3.146153      6.438400
  C      -9.100244     -2.074460      7.246403
  C      -8.067561     -1.234830      7.624824
  F      -8.393533     -0.195271      8.401136
  C      -6.718676     -1.436114      7.247818
  C      -5.563605     -0.553559      7.587765
  O      -4.443292     -0.976214      7.571240
  C      -5.837690      0.927500      7.904557
  C      -6.446953     -2.529266      6.445207
  H      -0.466170     -4.009467     -0.282326
  H      -1.806662     -4.891475      0.525102
  H      -2.167396     -3.849063     -0.855305
  H      -4.102341     -4.177414      0.565950
  H      -6.313640     -3.619717      1.539987
  H      -4.289054      2.053027      3.244135
  H      -2.832495      1.110566      2.989576
  H      -2.310403     -0.781763      2.544134
  H      -3.450645     10.788999      0.227974
  H      -4.949481     10.032368     -0.416472
  H      -3.377930      9.771534     -1.284996
  H      -5.129166     10.450657      1.978331
  H      -5.988619     10.159683      4.275805
  H      -3.848506      6.718215      6.636167
  H      -5.293949      5.742739      6.268323
  H      -3.250749      6.588366      2.169386
  H      -8.620816     -5.952222      5.587980
  H      -7.682560     -6.275546      4.096568
  H      -8.921886     -5.002049      4.130491
  H      -9.607250     -3.801661      6.126829
  H     -10.125579     -1.874118      7.587330
  H      -6.285764      0.976097      8.920818
  H      -6.599816      1.306316      7.205259
  H      -5.408742     -2.704890      6.120701
  N      -5.662251      3.049599      5.503903
  H      -6.566380      3.181758      5.056464
88
Coordinates from ORCA-job orca E -6506.758166614200
  N      -3.101202      1.814265      4.970503
  Mo     -4.157866      2.803100      6.297837
  N      -4.646265      1.726827      7.863430
  C      -3.707296      1.553532      8.979759
  C      -2.310128      1.394471      8.411521
  N      -2.095840      2.464867      7.407111
  C      -1.126665      2.065902      6.350125
  C      -1.831906      1.177643      5.343843
  C      -1.724348      3.749509      8.050018
  C      -2.176287      4.885724      7.160516
  N      -3.554374      4.625055      6.739177
  H      -1.192793      1.059241      4.445333
  H      -2.008852      0.160381      5.753317
  H      -0.784702      2.982992      5.846221
  H      -0.247725      1.563020      6.792616
  H      -2.131478      5.835957      7.716615
  H      -1.519995      4.994780      6.278025
  H      -2.260408      3.807767      9.006671
  H      -0.642722      3.785594      8.255319
  H      -3.970466      0.659448      9.559531
  H      -3.773180      2.417750      9.659763
  H      -2.258652      0.425796      7.899798
  H      -1.528446      1.433323      9.189605
  C      -1.506349     -3.888938     -0.025399
  C      -1.683351     -2.720394      0.923338
  O      -0.732673     -2.007996      1.250306
  C      -3.054658     -2.432587      1.473949
  C      -4.178244     -3.211345      1.183440
  C      -5.428440     -2.906204      1.741862
  C      -5.533944     -1.827544      2.592542
  F      -6.726693     -1.548411      3.087863
  C      -4.439912     -1.011170      2.912182
  C      -4.544137      0.081591      3.903535
  O      -5.315339      0.041980      4.818768
  C      -3.643959      1.324187      3.720790
  C      -3.206170     -1.336121      2.321833
  C      -3.837830      9.834284     -0.358030
  C      -3.544409      8.602091      0.464159
  O      -2.843282      7.659371      0.026045
  C      -4.109717      8.507145      1.861434
  C      -4.893023      9.514200      2.435495
  C      -5.385395      9.372432      3.731953
  C      -5.082988      8.221250      4.452329
  F      -5.589209      8.112788      5.706702
  C      -4.304877      7.186411      3.924777
  C      -3.939991      5.920335      4.640135
  O      -3.444177      4.977999      4.021172
  C      -4.198905      5.790262      6.155457
  C      -3.834432      7.360217      2.612772
  C      -8.213708     -5.533347      4.716429
  C      -7.127838     -4.550648      5.080514
  O      -5.985901     -4.662940      4.605945
  C      -7.470528     -3.422203      6.020835
  C      -8.769717     -3.184230      6.452061
  C      -9.051919     -2.096142      7.285830
  C      -8.025156     -1.243613      7.672629
  F      -8.327236     -0.185970      8.478210
  C      -6.710658     -1.450178      7.285588
  C      -5.564552     -0.558344      7.626451
  O      -4.439288     -0.985082      7.600062
  C      -5.842740      0.915696      7.945689
  C      -6.458155     -2.560940      6.456197
  H      -0.454775     -3.951310     -0.331637
  H      -1.809385     -4.835453      0.461712
  H      -2.140476     -3.772500     -0.915934
  H      -4.092765     -4.068508      0.521011
  H      -6.310111     -3.499309      1.527112
  H      -4.301652      2.088870      3.264721
  H      -2.826648      1.143186      3.002492
  H      -2.310594     -0.762113      2.540411
  H      -3.464857     10.730882      0.142422
  H      -4.916251      9.964558     -0.484586
  H      -3.361950      9.743125     -1.333871
  H      -5.127843     10.421386      1.872884
  H      -6.000598     10.137938      4.192956
  H      -3.870039      6.705504      6.667081
  H      -5.283850      5.732749      6.291607
  H      -3.229938      6.574447      2.171673
  H      -8.668130     -5.970382      5.621834
  H      -7.787327     -6.329830      4.087497
  H      -9.024563     -5.022290      4.154743
  H      -9.577977     -3.845092      6.136777
  H     -10.050156     -1.896362      7.633418
  H      -6.282319      0.965164      8.958956
  H      -6.605732      1.286966      7.251828
  H      -5.447676     -2.737236      6.127310
  N      -5.672697      3.061599      5.507186
  H      -6.582966      3.181658      5.059636
88
Coordinates from ORCA-job orca E -6506.755462235226
  N      -3.116990      1.828766      4.934787
  Mo     -4.175462      2.805871      6.273706
  N      -4.652469      1.723676      7.837242
  C      -3.708807      1.551621      8.946876
  C      -2.313084      1.400790      8.376850
  N      -2.106432      2.476469      7.378099
  C      -1.141884      2.087847      6.319703
  C      -1.846428      1.204595      5.308533
  C      -1.739603      3.757351      8.021079
  C      -2.199465      4.893411      7.134794
  N      -3.580595      4.635271      6.717170
  H      -1.211509      1.096772      4.411841
  H      -2.016997      0.186033      5.707333
  H      -0.809374      3.005691      5.815331
  H      -0.259499      1.591498      6.756442
  H      -2.149768      5.841718      7.689278
  H      -1.547710      5.003480      6.252556
  H      -2.270682      3.811513      8.982314
  H      -0.654052      3.800934      8.222723
  H      -3.965152      0.658170      9.524012
  H      -3.771830      2.412168      9.629594
  H      -2.259769      0.438233      7.864420
  H      -1.536574      1.438929      9.153359
  C      -1.498572     -3.867980     -0.015013
  C      -1.675484     -2.708923      0.914675
  O      -0.739390     -1.984613      1.227193
  C      -3.039976     -2.442296      1.464705
  C      -4.152997     -3.240843      1.184293
  C      -5.393887     -2.949906      1.745000
  C      -5.512403     -1.865606      2.595093
  F      -6.727020     -1.603943      3.121257
  C      -4.424118     -1.026599      2.894121
  C      -4.535935      0.076980      3.872961
  O      -5.313686      0.027871      4.801123
  C      -3.650869      1.334893      3.680220
  C      -3.195566     -1.340483      2.301497
  C      -3.773318      9.836724     -0.291962
  C      -3.477411      8.603527      0.496899
  O      -2.798796      7.709010      0.047583
  C      -4.053945      8.512126      1.875274
  C      -4.843774      9.545452      2.435200
  C      -5.369826      9.424636      3.723596
  C      -5.092479      8.263261      4.455487
  F      -5.634579      8.173524      5.698340
  C      -4.305597      7.202867      3.939838
  C      -3.961297      5.940098      4.647625
  O      -3.462819      5.012223      4.037511
  C      -4.228657      5.798332      6.147309
  C      -3.803332      7.358457      2.634376
  C      -8.218442     -5.550098      4.758308
  C      -7.134584     -4.567421      5.111474
  O      -6.015625     -4.655847      4.646903
  C      -7.477801     -3.452243      6.047705
  C      -8.801873     -3.225770      6.524539
  C      -9.096525     -2.139107      7.363302
  C      -8.054974     -1.278372      7.713363
  F      -8.371894     -0.220489      8.527244
  C      -6.715134     -1.477173      7.284165
  C      -5.557653     -0.578771      7.601721
  O      -4.373384     -1.023652      7.554669
  C      -5.847152      0.896172      7.931709
  C      -6.453554     -2.586523      6.449967
  H      -0.459073     -3.918735     -0.330010
  H      -1.771655     -4.799517      0.479336
  H      -2.155803     -3.762414     -0.891763
  H      -4.060944     -4.103255      0.526070
  H      -6.270195     -3.558139      1.542589
  H      -4.319505      2.101333      3.220270
  H      -2.824458      1.157593      2.958671
  H      -2.306645     -0.750511      2.509160
  H      -3.397003     10.712591      0.216675
  H      -4.858554      9.979465     -0.415819
  H      -3.299158      9.752995     -1.259390
  H      -5.059862     10.455859      1.866073
  H      -5.993813     10.211909      4.172924
  H      -3.894099      6.709227      6.665877
  H      -5.317717      5.744002      6.278081
  H      -3.192087      6.550873      2.201368
  H      -8.661754     -5.993004      5.649071
  H      -7.792525     -6.328384      4.136101
  H      -9.038160     -5.053040      4.217980
  H      -9.621922     -3.888935      6.242353
  H     -10.119164     -1.947978      7.748447
  H      -6.273420      0.931543      8.948422
  H      -6.619331      1.265117      7.250165
  H      -5.426165     -2.752380      6.087138
  N      -5.728319      3.054351      5.476245
  H      -6.662566      3.181611      5.008398
88
Coordinates from ORCA-job orca E -6506.758181851442
  N      -3.090006      1.808347      4.964591
  Mo     -4.143197      2.801247      6.295204
  N      -4.631368      1.728734      7.859579
  C      -3.692803      1.551687      8.977367
  C      -2.292219      1.388534      8.406066
  N      -2.077594      2.463637      7.399854
  C      -1.113455      2.062655      6.347911
  C      -1.819844      1.175959      5.343138
  C      -1.703116      3.749217      8.037732
  C      -2.157540      4.887464      7.145396
  N      -3.536771      4.628656      6.731187
  H      -1.179850      1.057486      4.452434
  H      -1.997869      0.163484      5.751197
  H      -0.771896      2.975473      5.841960
  H      -0.235964      1.561330      6.790092
  H      -2.105262      5.841572      7.702498
  H      -1.503530      4.995789      6.257137
  H      -2.233010      3.811920      8.998500
  H      -0.619967      3.788264      8.238991
  H      -3.956289      0.653202      9.560690
  H      -3.757448      2.423104      9.663509
  H      -2.240776      0.417080      7.891303
  H      -1.510650      1.423672      9.186520
  C      -1.478001     -3.937046      0.000451
  C      -1.650262     -2.767163      0.934399
  O      -0.705625     -2.063742      1.241440
  C      -3.018104     -2.484842      1.479382
  C      -4.135110     -3.287495      1.182089
  C      -5.368362     -2.986945      1.713656
  C      -5.498519     -1.886912      2.576451
  F      -6.737535     -1.612798      3.095318
  C      -4.404439     -1.044794      2.898039
  C      -4.517469      0.069739      3.890874
  O      -5.322506      0.036648      4.854607
  C      -3.630875      1.309934      3.711147
  C      -3.178974     -1.369373      2.322894
  C      -3.903500      9.883825     -0.334014
  C      -3.579573      8.642740      0.483080
  O      -2.900739      7.762740      0.021680
  C      -4.121637      8.530625      1.876331
  C      -4.909205      9.537092      2.457160
  C      -5.395436      9.387819      3.747921
  C      -5.083722      8.232224      4.457691
  F      -5.587308      8.114235      5.704851
  C      -4.299018      7.197362      3.923912
  C      -3.928360      5.928340      4.629003
  O      -3.427170      4.990256      4.006325
  C      -4.187300      5.796908      6.148631
  C      -3.834104      7.379105      2.616807
  C      -8.250757     -5.505228      4.686726
  C      -7.172996     -4.509839      5.085233
  O      -6.039201     -4.602191      4.639169
  C      -7.517909     -3.391104      6.031821
  C      -8.831116     -3.149547      6.464165
  C      -9.103965     -2.068776      7.286584
  C      -8.059040     -1.227218      7.667443
  F      -8.355062     -0.177651      8.461806
  C      -6.731315     -1.439325      7.281603
  C      -5.565323     -0.561126      7.621066
  O      -4.414972     -1.002678      7.595970
  C      -5.832745      0.921173      7.940327
  C      -6.491181     -2.541409      6.465373
  H      -0.429140     -4.003185     -0.317992
  H      -1.765479     -4.878154      0.503924
  H      -2.126438     -3.822576     -0.890801
  H      -4.041095     -4.159172      0.524394
  H      -6.246609     -3.600241      1.495634
  H      -4.281152      2.058460      3.260819
  H      -2.827049      1.127851      3.000291
  H      -2.287189     -0.778044      2.543574
  H      -3.521119     10.805954      0.176099
  H      -4.989657     10.003280     -0.450272
  H      -3.444337      9.796448     -1.336186
  H      -5.152940     10.445823      1.902850
  H      -6.014731     10.150605      4.213098
  H      -3.857734      6.721016      6.660576
  H      -5.280068      5.737658      6.292467
  H      -3.227460      6.594781      2.168649
  H      -8.719790     -5.969967      5.584549
  H      -7.812763     -6.293360      4.043543
  H      -9.046234     -4.991221      4.124869
  H      -9.649937     -3.802400      6.148870
  H     -10.111964     -1.863928      7.634660
  H      -6.269148      0.973177      8.954040
  H      -6.593549      1.298532      7.248365
  H      -5.470687     -2.723153      6.131885
  N      -5.669053      3.060931      5.512336
  H      -6.568179      3.181290      5.071230
88
Coordinates from ORCA-job orca E -6506.756010235519
  N      -3.124890      1.811463      4.953402
  Mo     -4.177301      2.803558      6.274771
  N      -4.659965      1.734090      7.838391
  C      -3.717165      1.563639      8.953038
  C      -2.323855      1.403863      8.385251
  N      -2.112586      2.471491      7.377924
  C      -1.151691      2.070227      6.327936
  C      -1.863432      1.181101      5.330036
  C      -1.739041      3.757209      8.016610
  C      -2.191963      4.888914      7.123724
  N      -3.570034      4.628125      6.708414
  H      -1.232210      1.057472      4.439722
  H      -2.042217      0.173994      5.740815
  H      -0.810140      2.979743      5.817660
  H      -0.276459      1.571721      6.771288
  H      -2.142230      5.842477      7.676953
  H      -1.538068      4.995465      6.237713
  H      -2.272850      3.818897      8.971188
  H      -0.659733      3.795195      8.221060
  H      -3.979847      0.671083      9.536983
  H      -3.780992      2.431976      9.631893
  H      -2.275953      0.432187      7.876239
  H      -1.540429      1.444515      9.161262
  C      -1.515364     -3.917138     -0.003319
  C      -1.699183     -2.740572      0.938072
  O      -0.743541     -2.012545      1.267847
  C      -3.077235     -2.459106      1.482354
  C      -4.207563     -3.249568      1.194522
  C      -5.466651     -2.946199      1.752165
  C      -5.573728     -1.860490      2.597333
  F      -6.774313     -1.583191      3.088869
  C      -4.471052     -1.033204      2.911684
  C      -4.574082      0.067653      3.897674
  O      -5.364182      0.029083      4.828734
  C      -3.667714      1.313443      3.709052
  C      -3.232225     -1.356069      2.323984
  C      -3.794319      9.839842     -0.310518
  C      -3.516897      8.604410      0.499693
  O      -2.821664      7.659670      0.048756
  C      -4.092178      8.511776      1.895648
  C      -4.868541      9.518243      2.491566
  C      -5.363997      9.374208      3.784716
  C      -5.074779      8.226748      4.477248
  F      -5.585215      8.116966      5.731620
  C      -4.305355      7.192005      3.929539
  C      -3.952044      5.922016      4.627052
  O      -3.460884      4.987535      4.009906
  C      -4.211837      5.789867      6.128849
  C      -3.831182      7.367897      2.620570
  C      -8.116280     -5.498162      4.733984
  C      -7.054880     -4.505957      5.102410
  O      -5.901077     -4.594338      4.636309
  C      -7.427129     -3.397344      6.026727
  C      -8.738125     -3.180740      6.463644
  C      -9.041600     -2.112922      7.285567
  C      -8.030363     -1.258401      7.657709
  F      -8.359405     -0.221243      8.457958
  C      -6.705000     -1.442909      7.263297
  C      -5.570027     -0.546182      7.594395
  O      -4.456874     -0.957106      7.561518
  C      -5.853706      0.923042      7.921337
  C      -6.431974     -2.534176      6.446189
  H      -0.463328     -3.973180     -0.301776
  H      -1.816719     -4.861785      0.479173
  H      -2.144690     -3.813676     -0.889174
  H      -4.120936     -4.110101      0.538827
  H      -6.352735     -3.546339      1.538919
  H      -4.320923      2.069429      3.251390
  H      -2.852653      1.131060      3.000319
  H      -2.332110     -0.775131      2.541177
  H      -3.405470     10.738855      0.201211
  H      -4.885457      9.983823     -0.437564
  H      -3.305632      9.741048     -1.290346
  H      -5.092899     10.424463      1.949590
  H      -5.972562     10.139059      4.262582
  H      -3.875612      6.702902      6.642563
  H      -5.303652      5.738048      6.264601
  H      -3.232452      6.582650      2.164670
  H      -8.573781     -5.939837      5.617700
  H      -7.673645     -6.279275      4.122355
  H      -8.917912     -5.005446      4.173021
  H      -9.535248     -3.846123      6.159988
  H     -10.050079     -1.927937      7.642363
  H      -6.290193      0.967238      8.939764
  H      -6.624273      1.296578      7.229125
  H      -5.412689     -2.696042      6.111296
  N      -5.683845      3.055596      5.497930
  H      -6.587654      3.171359      5.055105
88
Coordinates from ORCA-job orca E -6506.758147766387
  N      -3.118733      1.820959      4.938050
  Mo     -4.165229      2.800181      6.279354
  N      -4.641157      1.721764      7.840890
  C      -3.696193      1.542189      8.947079
  C      -2.304873      1.385856      8.376013
  N      -2.094924      2.459090      7.384235
  C      -1.132479      2.070444      6.318061
  C      -1.841154      1.188459      5.305278
  C      -1.721991      3.740346      8.033016
  C      -2.184851      4.883504      7.152101
  N      -3.567316      4.627045      6.730087
  H      -1.207911      1.082255      4.404871
  H      -2.010890      0.165693      5.703671
  H      -0.801327      2.991672      5.819455
  H      -0.247698      1.570063      6.752157
  H      -2.138207      5.830654      7.711094
  H      -1.534710      4.994077      6.268305
  H      -2.247836      3.793688      8.999355
  H      -0.632095      3.776057      8.228627
  H      -3.953653      0.647913      9.521215
  H      -3.755298      2.401042      9.630928
  H      -2.254023      0.422855      7.860061
  H      -1.522987      1.421579      9.150647
  C      -1.478304     -3.910023      0.010868
  C      -1.666429     -2.733043      0.943985
  O      -0.737225     -1.994690      1.277538
  C      -3.033300     -2.457004      1.475234
  C      -4.137106     -3.255559      1.177507
  C      -5.389926     -2.958971      1.729499
  C      -5.516564     -1.869245      2.582831
  F      -6.723083     -1.602946      3.091142
  C      -4.432997     -1.030559      2.895776
  C      -4.547897      0.078923      3.876007
  O      -5.310113      0.043980      4.797545
  C      -3.663494      1.329797      3.681467
  C      -3.196828     -1.349218      2.311730
  C      -3.810545      9.888961     -0.341671
  C      -3.499210      8.652551      0.502564
  O      -2.783699      7.720817      0.086477
  C      -4.078983      8.552278      1.886799
  C      -4.886873      9.562610      2.431359
  C      -5.406258      9.415040      3.712257
  C      -5.102788      8.253521      4.449577
  F      -5.636561      8.133397      5.680367
  C      -4.300511      7.217196      3.948249
  C      -3.938341      5.948522      4.658028
  O      -3.429519      5.033311      4.051214
  C      -4.214169      5.796465      6.164075
  C      -3.803451      7.397075      2.652756
  C      -8.257631     -5.538613      4.744788
  C      -7.162700     -4.553011      5.099501
  O      -6.045586     -4.642016      4.637284
  C      -7.489706     -3.437743      6.041860
  C      -8.799986     -3.212285      6.512871
  C      -9.078269     -2.128810      7.348980
  C      -8.035902     -1.269741      7.702239
  F      -8.331213     -0.218233      8.501401
  C      -6.709596     -1.467456      7.280779
  C      -5.554949     -0.569191      7.606976
  O      -4.406075     -1.001051      7.564318
  C      -5.837561      0.904435      7.934782
  C      -6.461301     -2.574108      6.448359
  H      -0.431232     -3.966075     -0.302034
  H      -1.757226     -4.848666      0.516911
  H      -2.122632     -3.808834     -0.877369
  H      -4.034695     -4.122792      0.515560
  H      -6.263095     -3.568800      1.517507
  H      -4.333734      2.100432      3.228561
  H      -2.843167      1.149509      2.949635
  H      -2.313139     -0.759050      2.531330
  H      -3.462514     10.789549      0.162686
  H      -4.883579     10.015294     -0.493295
  H      -3.331711      9.798521     -1.315300
  H      -5.123591     10.475124      1.854967
  H      -6.043936     10.181343      4.149165
  H      -3.886486      6.708109      6.686179
  H      -5.304354      5.736920      6.291020
  H      -3.181141      6.606731      2.230634
  H      -8.693872     -5.995030      5.659152
  H      -7.834505     -6.321099      4.094929
  H      -9.091753     -5.025386      4.207941
  H      -9.620683     -3.876965      6.222224
  H     -10.085159     -1.938432      7.723430
  H      -6.261378      0.947013      8.953717
  H      -6.608556      1.275322      7.252638
  H      -5.442392     -2.739464      6.088816
  N      -5.692166      3.052105      5.503246
  H      -6.625488      3.174360      5.047620
88
Coordinates from ORCA-job orca E -6506.756227960780
  N      -3.088050      1.819046      4.956189
  Mo     -4.147493      2.808952      6.287012
  N      -4.640768      1.732213      7.851343
  C      -3.702181      1.554455      8.969783
  C      -2.301081      1.393954      8.400230
  N      -2.085225      2.471962      7.395025
  C      -1.118407      2.072094      6.344389
  C      -1.823340      1.187259      5.337973
  C      -1.714152      3.754594      8.034645
  C      -2.165856      4.892371      7.143857
  N      -3.543105      4.634494      6.726185
  H      -1.182763      1.068611      4.447276
  H      -2.003535      0.174490      5.744207
  H      -0.776782      2.984660      5.834676
  H      -0.241920      1.571627      6.787793
  H      -2.115895      5.842990      7.699950
  H      -1.509831      5.002589      6.260427
  H      -2.246207      3.814715      8.993969
  H      -0.632178      3.794626      8.236773
  H      -3.963725      0.656116      9.552145
  H      -3.767561      2.422138      9.656006
  H      -2.246331      0.425899      7.885037
  H      -1.525408      1.427183      9.183517
  C      -1.507794     -3.901646      0.024248
  C      -1.668533     -2.746381      0.947040
  O      -0.718202     -2.069125      1.240530
  C      -3.033835     -2.455455      1.490418
  C      -4.162901     -3.238754      1.201582
  C      -5.392806     -2.931233      1.734560
  C      -5.501947     -1.846318      2.580247
  F      -6.732433     -1.565788      3.095600
  C      -4.402956     -1.021330      2.895565
  C      -4.514317      0.084514      3.878629
  O      -5.312162      0.045066      4.814979
  C      -3.622154      1.326691      3.702749
  C      -3.179729     -1.351076      2.323341
  C      -3.884030      9.831340     -0.309461
  C      -3.554751      8.605709      0.473272
  O      -2.885759      7.745352     -0.003221
  C      -4.097270      8.501126      1.865414
  C      -4.884335      9.513990      2.452277
  C      -5.380582      9.382241      3.750170
  C      -5.078905      8.233876      4.463325
  F      -5.592363      8.135599      5.721798
  C      -4.294081      7.191726      3.922552
  C      -3.932342      5.931998      4.629658
  O      -3.426388      4.988470      4.001972
  C      -4.192044      5.798836      6.145841
  C      -3.819571      7.358094      2.606879
  C      -8.232438     -5.532857      4.692416
  C      -7.149915     -4.548700      5.075806
  O      -6.008348     -4.656620      4.614470
  C      -7.497391     -3.423799      6.019891
  C      -8.812751     -3.181837      6.464559
  C      -9.097233     -2.089587      7.300420
  C      -8.055943     -1.238128      7.677909
  F      -8.361847     -0.175167      8.483873
  C      -6.724614     -1.451433      7.277204
  C      -5.562465     -0.565453      7.613359
  O      -4.394492     -1.012399      7.584977
  C      -5.840044      0.917005      7.935367
  C      -6.473755     -2.565914      6.447502
  H      -0.457871     -3.972599     -0.293520
  H      -1.797922     -4.834158      0.528237
  H      -2.163609     -3.777701     -0.862223
  H      -4.083031     -4.100471      0.551422
  H      -6.279866     -3.529095      1.521838
  H      -4.271769      2.087315      3.249939
  H      -2.810624      1.142933      2.990952
  H      -2.281032     -0.771715      2.540620
  H      -3.503014     10.733489      0.199816
  H      -4.975898      9.943741     -0.409836
  H      -3.432287      9.753624     -1.301256
  H      -5.119054     10.414674      1.897708
  H      -5.999884     10.152471      4.219883
  H      -3.858632      6.719568      6.660334
  H      -5.281751      5.742236      6.286127
  H      -3.212458      6.568470      2.153931
  H      -8.698143     -5.980372      5.581933
  H      -7.802843     -6.322643      4.065353
  H      -9.028476     -5.022615      4.134209
  H      -9.628781     -3.838532      6.154981
  H     -10.109446     -1.886861      7.656859
  H      -6.274059      0.962889      8.951021
  H      -6.604622      1.291423      7.245424
  H      -5.452995     -2.745127      6.106750
  N      -5.689378      3.074194      5.486662
  H      -6.599700      3.197672      5.028453
88
Coordinates from ORCA-job orca E -6506.757669042464
  N      -3.118657      1.814992      4.942874
  Mo     -4.167525      2.801091      6.280127
  N      -4.646528      1.723492      7.849433
  C      -3.696418      1.544473      8.957680
  C      -2.297826      1.389867      8.376765
  N      -2.091387      2.468120      7.369322
  C      -1.134932      2.077203      6.309998
  C      -1.845965      1.190340      5.310911
  C      -1.715790      3.749674      8.011432
  C      -2.178764      4.886168      7.129011
  N      -3.556998      4.623706      6.716641
  H      -1.215327      1.077429      4.417346
  H      -2.017352      0.180723      5.716408
  H      -0.800204      2.992842      5.805165
  H      -0.255370      1.578880      6.748167
  H      -2.131472      5.836252      7.690638
  H      -1.528874      5.001443      6.237463
  H      -2.240521      3.804095      8.971238
  H      -0.634364      3.788997      8.207495
  H      -3.957640      0.643221      9.539907
  H      -3.758332      2.414355      9.642962
  H      -2.251521      0.420060      7.863217
  H      -1.505019      1.429084      9.148058
  C      -1.419447     -3.925996     -0.037122
  C      -1.624813     -2.744657      0.924273
  O      -0.687794     -2.011064      1.265933
  C      -3.011047     -2.478595      1.465940
  C      -4.119902     -3.292758      1.160686
  C      -5.373419     -3.005974      1.709456
  C      -5.517059     -1.909662      2.573827
  F      -6.738073     -1.644042      3.064532
  C      -4.435085     -1.057687      2.902251
  C      -4.558615      0.056560      3.888701
  O      -5.372197      0.010171      4.851451
  C      -3.668475      1.314219      3.697672
  C      -3.199147     -1.366477      2.323962
  C      -3.826737      9.885307     -0.303936
  C      -3.520850      8.648977      0.509535
  O      -2.811416      7.745579      0.073252
  C      -4.097357      8.535656      1.888812
  C      -4.906698      9.535614      2.458609
  C      -5.408067      9.382429      3.740419
  C      -5.093672      8.232392      4.449413
  F      -5.610657      8.111504      5.691642
  C      -4.293727      7.202157      3.925267
  C      -3.924614      5.930249      4.631553
  O      -3.411064      4.993350      4.018297
  C      -4.201981      5.792376      6.136415
  C      -3.810821      7.387599      2.627858
  C      -8.247293     -5.485317      4.730952
  C      -7.175076     -4.493570      5.109960
  O      -6.046814     -4.578073      4.644026
  C      -7.516606     -3.387509      6.055809
  C      -8.823477     -3.165536      6.529915
  C      -9.098803     -2.099177      7.369910
  C      -8.062599     -1.250707      7.722975
  F      -8.368330     -0.213933      8.549445
  C      -6.739231     -1.444265      7.292355
  C      -5.576586     -0.562861      7.607918
  O      -4.436243     -0.992308      7.550052
  C      -5.845737      0.913800      7.944152
  C      -6.497234     -2.532253      6.462077
  H      -0.377920     -3.969495     -0.325657
  H      -1.719599     -4.876671      0.424807
  H      -2.024905     -3.830389     -0.930242
  H      -4.007918     -4.159126      0.491207
  H      -6.240453     -3.626775      1.483120
  H      -4.335433      2.057446      3.244828
  H      -2.854695      1.146070      2.986840
  H      -2.313847     -0.765369      2.550122
  H      -3.476718     10.782391      0.218536
  H      -4.917795     10.015042     -0.454528
  H      -3.327305      9.803855     -1.274092
  H      -5.151623     10.442792      1.903064
  H      -6.041737     10.141167      4.197850
  H      -3.880555      6.704424      6.654663
  H      -5.291033      5.736020      6.262034
  H      -3.188964      6.607955      2.190596
  H      -8.695232     -5.939999      5.612659
  H      -7.824129     -6.259678      4.097426
  H      -9.043525     -4.987630      4.189830
  H      -9.639047     -3.824311      6.242648
  H     -10.106499     -1.909460      7.761166
  H      -6.267672      0.959185      8.968566
  H      -6.623834      1.295206      7.263480
  H      -5.481587     -2.699533      6.098959
  N      -5.698644      3.051533      5.512243
  H      -6.588147      3.165806      5.091114
88
Coordinates from ORCA-job orca E -6506.757272452138
  N      -3.122393      1.807696      4.939333
  Mo     -4.168678      2.797517      6.265233
  N      -4.648676      1.729862      7.824827
  C      -3.706147      1.556317      8.935000
  C      -2.319042      1.394727      8.371740
  N      -2.106074      2.459563      7.374279
  C      -1.143803      2.061574      6.319037
  C      -1.855249      1.175226      5.313417
  C      -1.731873      3.745428      8.017583
  C      -2.184832      4.884300      7.125975
  N      -3.565609      4.625847      6.703313
  H      -1.222100      1.057682      4.417831
  H      -2.032485      0.160052      5.718844
  H      -0.804916      2.975619      5.814286
  H      -0.266592      1.562412      6.758810
  H      -2.138520      5.836914      7.683378
  H      -1.529018      4.993198      6.244200
  H      -2.265040      3.806799      8.977615
  H      -0.648385      3.780734      8.221386
  H      -3.967534      0.667504      9.511795
  H      -3.766013      2.419398      9.613894
  H      -2.271091      0.425804      7.862236
  H      -1.539958      1.434278      9.147314
  C      -1.499704     -3.942498      0.053812
  C      -1.682504     -2.762016      0.971451
  O      -0.734118     -2.028473      1.299454
  C      -3.057809     -2.476465      1.496068
  C      -4.179842     -3.266146      1.200785
  C      -5.434278     -2.959163      1.738813
  C      -5.554083     -1.869081      2.585540
  F      -6.771003     -1.592245      3.079134
  C      -4.453361     -1.040184      2.901960
  C      -4.561231      0.067753      3.879796
  O      -5.333873      0.038009      4.796253
  C      -3.667418      1.310106      3.692476
  C      -3.210943     -1.369073      2.322787
  C      -3.810607      9.898096     -0.318452
  C      -3.518653      8.656211      0.499156
  O      -2.816131      7.724532      0.046102
  C      -4.091054      8.552661      1.897112
  C      -4.880734      9.555575      2.481168
  C      -5.385172      9.403275      3.777258
  C      -5.087089      8.246607      4.486289
  F      -5.604655      8.124953      5.736876
  C      -4.303498      7.216484      3.946822
  C      -3.944052      5.946264      4.635646
  O      -3.450406      5.039069      4.018787
  C      -4.208494      5.793264      6.133938
  C      -3.821136      7.401412      2.637472
  C      -8.184506     -5.510537      4.743245
  C      -7.106141     -4.521586      5.102795
  O      -5.966906     -4.609419      4.634878
  C      -7.455194     -3.413799      6.037270
  C      -8.758381     -3.201559      6.487549
  C      -9.041572     -2.131908      7.301362
  C      -8.016162     -1.271203      7.657166
  F      -8.320434     -0.233702      8.441875
  C      -6.699895     -1.452494      7.257951
  C      -5.558395     -0.550345      7.585369
  O      -4.426744     -0.967354      7.545796
  C      -5.842117      0.917916      7.911073
  C      -6.444649     -2.546376      6.445479
  H      -0.443218     -4.006387     -0.247320
  H      -1.795978     -4.874447      0.558625
  H      -2.140666     -3.840545     -0.840800
  H      -4.087877     -4.131025      0.548292
  H      -6.316867     -3.560336      1.521214
  H      -4.322958      2.067039      3.242670
  H      -2.859599      1.127742      2.975659
  H      -2.315064     -0.789090      2.542856
  H      -3.433673     10.809471      0.197376
  H      -4.893986     10.024774     -0.448473
  H      -3.329657      9.808672     -1.306723
  H      -5.112550     10.465545      1.926616
  H      -6.006519     10.165649      4.244547
  H      -3.873179      6.705315      6.656828
  H      -5.303754      5.737566      6.266219
  H      -3.211902      6.616163      2.188237
  H      -8.626057     -5.971897      5.652648
  H      -7.745909     -6.290493      4.098739
  H      -9.015932     -4.998346      4.200981
  H      -9.565714     -3.870242      6.193316
  H     -10.041460     -1.951088      7.661297
  H      -6.271279      0.962823      8.924139
  H      -6.608822      1.285394      7.226127
  H      -5.430576     -2.703982      6.099848
  N      -5.682167      3.045948      5.489459
  H      -6.620030      3.163246      5.029728
88
Coordinates from ORCA-job orca E -6506.756804507124
  N      -3.103523      1.816043      4.958699
  Mo     -4.161116      2.799962      6.295922
  N      -4.640980      1.720983      7.864931
  C      -3.697782      1.540257      8.980424
  C      -2.296868      1.387620      8.400616
  N      -2.091937      2.467111      7.393369
  C      -1.123526      2.071637      6.329743
  C      -1.828627      1.182817      5.326876
  C      -1.728954      3.752131      8.034504
  C      -2.192174      4.888744      7.147252
  N      -3.569286      4.625333      6.731128
  H      -1.191102      1.067052      4.424333
  H      -2.000334      0.164983      5.736527
  H      -0.789471      2.987504      5.815595
  H      -0.238548      1.572099      6.769546
  H      -2.148105      5.837403      7.703972
  H      -1.537770      5.003140      6.263087
  H      -2.259630      3.805560      8.998659
  H      -0.643194      3.797384      8.230270
  H      -3.951348      0.640234      9.562512
  H      -3.765497      2.402902      9.667595
  H      -2.236644      0.421368      7.880964
  H      -1.515242      1.421452      9.179203
  C      -1.512092     -3.861192      0.000799
  C      -1.683036     -2.704205      0.937007
  O      -0.736921     -2.003800      1.249435
  C      -3.038653     -2.429349      1.481933
  C      -4.153924     -3.215674      1.189703
  C      -5.396896     -2.921696      1.743763
  C      -5.508467     -1.847931      2.595589
  F      -6.716221     -1.581683      3.115335
  C      -4.419286     -1.020995      2.907613
  C      -4.534767      0.078704      3.891293
  O      -5.307425      0.041187      4.808126
  C      -3.645750      1.326564      3.705348
  C      -3.189421     -1.337155      2.323401
  C      -3.823004      9.851200     -0.324153
  C      -3.511041      8.617963      0.490877
  O      -2.806894      7.712177      0.049406
  C      -4.086837      8.510766      1.866809
  C      -4.891858      9.508927      2.430308
  C      -5.403070      9.360195      3.709246
  C      -5.097789      8.210696      4.424907
  F      -5.621719      8.095146      5.660943
  C      -4.298390      7.184786      3.906758
  C      -3.932619      5.922251      4.617691
  O      -3.412804      4.983969      3.991783
  C      -4.213143      5.787039      6.140657
  C      -3.808953      7.366279      2.610766
  C      -8.230501     -5.541512      4.697286
  C      -7.143588     -4.566382      5.071279
  O      -6.021854     -4.675522      4.616563
  C      -7.482291     -3.433913      6.020632
  C      -8.800249     -3.184267      6.489843
  C      -9.090368     -2.086808      7.350161
  C      -8.049639     -1.239829      7.720646
  F      -8.355276     -0.175111      8.544458
  C      -6.714404     -1.459218      7.293618
  C      -5.556118     -0.573730      7.625028
  O      -4.424637     -1.004204      7.591404
  C      -5.838360      0.906113      7.951999
  C      -6.456125     -2.578931      6.440986
  H      -0.456616     -3.921660     -0.319797
  H      -1.802418     -4.806436      0.501455
  H      -2.162046     -3.737888     -0.894402
  H      -4.064757     -4.070626      0.528075
  H      -6.276797     -3.524507      1.532390
  H      -4.313386      2.098973      3.253427
  H      -2.824396      1.147251      2.975480
  H      -2.299647     -0.754264      2.541637
  H      -3.467997     10.750642      0.185003
  H      -4.900191      9.973179     -0.462696
  H      -3.340712      9.770570     -1.295364
  H      -5.129564     10.412752      1.874020
  H      -6.036029     10.118931      4.161780
  H      -3.892444      6.711125      6.658717
  H      -5.301937      5.726285      6.268181
  H      -3.187408      6.586817      2.176334
  H      -8.689668     -5.974538      5.597428
  H      -7.811689     -6.340522      4.072862
  H      -9.034732     -5.027380      4.135466
  H      -9.617775     -3.841153      6.186976
  H     -10.103423     -1.878090      7.729185
  H      -6.272192      0.948266      8.973863
  H      -6.606702      1.283984      7.261159
  H      -5.431499     -2.764074      6.081969
  N      -5.683496      3.063403      5.505700
  H      -6.608798      3.186870      5.047920
88
Coordinates from ORCA-job orca E -6506.755843116846
  N      -3.102461      1.829423      4.941725
  Mo     -4.157047      2.807501      6.284164
  N      -4.640780      1.725757      7.848020
  C      -3.693809      1.547985      8.955328
  C      -2.295131      1.396165      8.377307
  N      -2.086423      2.476074      7.377001
  C      -1.129201      2.088085      6.325136
  C      -1.836842      1.205967      5.317167
  C      -1.711364      3.753535      8.022360
  C      -2.168945      4.892756      7.142816
  N      -3.547198      4.632467      6.728146
  H      -1.204476      1.096405      4.431906
  H      -2.012369      0.196081      5.715996
  H      -0.793858      3.002710      5.825369
  H      -0.252211      1.588311      6.764132
  H      -2.120629      5.837849      7.705991
  H      -1.519033      5.010616      6.257564
  H      -2.237240      3.806468      8.978474
  H      -0.629662      3.791996      8.221915
  H      -3.952096      0.645797      9.534480
  H      -3.756146      2.413536      9.643706
  H      -2.245389      0.431479      7.861345
  H      -1.510825      1.432154      9.152212
  C      -1.455110     -3.922920     -0.007644
  C      -1.638485     -2.751007      0.925429
  O      -0.703832     -2.054087      1.229037
  C      -3.013054     -2.469532      1.472599
  C      -4.132564     -3.273043      1.182610
  C      -5.373199     -2.974676      1.725857
  C      -5.497936     -1.877410      2.573314
  F      -6.715006     -1.602815      3.065002
  C      -4.410636     -1.034027      2.891468
  C      -4.530818      0.082636      3.872635
  O      -5.344668      0.036422      4.832443
  C      -3.644539      1.336435      3.685298
  C      -3.184220     -1.354255      2.317061
  C      -3.846571      9.863798     -0.308287
  C      -3.529075      8.630463      0.490630
  O      -2.844246      7.758981      0.038130
  C      -4.092085      8.521725      1.876511
  C      -4.895201      9.534834      2.445097
  C      -5.399036      9.397466      3.735422
  C      -5.091470      8.245516      4.458360
  F      -5.613948      8.141926      5.709605
  C      -4.292740      7.201382      3.935318
  C      -3.927768      5.936874      4.649418
  O      -3.415506      5.000624      4.043849
  C      -4.198343      5.796039      6.151466
  C      -3.809978      7.373242      2.628633
  C      -8.268521     -5.518692      4.733424
  C      -7.180578     -4.529044      5.108183
  O      -6.039167     -4.618825      4.642398
  C      -7.521046     -3.419287      6.045388
  C      -8.831719     -3.192122      6.497030
  C      -9.107426     -2.113268      7.330566
  C      -8.064173     -1.259873      7.698586
  F      -8.365289     -0.210833      8.507641
  C      -6.735458     -1.460344      7.287684
  C      -5.566203     -0.576227      7.610096
  O      -4.388117     -1.025104      7.560006
  C      -5.840437      0.906794      7.941897
  C      -6.494323     -2.561349      6.461270
  H      -0.411305     -3.981905     -0.313165
  H      -1.746239     -4.861962      0.481961
  H      -2.087892     -3.817259     -0.896896
  H      -4.036398     -4.142167      0.526911
  H      -6.250529     -3.588189      1.511128
  H      -4.310480      2.092371      3.230423
  H      -2.827922      1.160120      2.965842
  H      -2.293071     -0.759240      2.535416
  H      -3.486285     10.761342      0.205958
  H      -4.938702      9.983815     -0.434211
  H      -3.367443      9.787005     -1.287142
  H      -5.134646     10.439636      1.880645
  H      -6.029502     10.166320      4.192496
  H      -3.873492      6.710852      6.668530
  H      -5.286527      5.736139      6.284965
  H      -3.191911      6.584956      2.190167
  H      -8.727806     -5.971822      5.617585
  H      -7.844689     -6.295931      4.107600
  H      -9.066469     -5.018267      4.186312
  H      -9.649835     -3.851095      6.196114
  H     -10.115351     -1.920333      7.695752
  H      -6.265402      0.947966      8.963033
  H      -6.615643      1.286225      7.260837
  H      -5.478376     -2.732473      6.115179
  N      -5.703758      3.065329      5.499808
  H      -6.597065      3.175514      5.070802
88
Coordinates from ORCA-job orca E -6506.757260212654
  N      -3.133944      1.804958      4.953936
  Mo     -4.176519      2.794687      6.283953
  N      -4.645750      1.722902      7.848368
  C      -3.696269      1.547301      8.957682
  C      -2.305734      1.387668      8.387067
  N      -2.100973      2.457162      7.379965
  C      -1.140669      2.059420      6.314012
  C      -1.855010      1.169608      5.315316
  C      -1.731275      3.747558      8.018560
  C      -2.195659      4.883739      7.124775
  N      -3.579519      4.625151      6.712662
  H      -1.223794      1.049921      4.406463
  H      -2.023452      0.152227      5.726701
  H      -0.808349      2.975269      5.798416
  H      -0.256029      1.562672      6.748872
  H      -2.143998      5.842601      7.681297
  H      -1.541539      4.990181      6.233988
  H      -2.258173      3.809190      8.986806
  H      -0.644878      3.791356      8.211046
  H      -3.955839      0.656416      9.539634
  H      -3.758663      2.414674      9.640876
  H      -2.253984      0.415831      7.875059
  H      -1.520249      1.427038      9.161674
  C      -1.479738     -3.913645      0.014489
  C      -1.668845     -2.731287      0.937760
  O      -0.720673     -1.964848      1.278075
  C      -3.050776     -2.466270      1.469980
  C      -4.163890     -3.272473      1.167784
  C      -5.410740     -2.982746      1.713370
  C      -5.548455     -1.890320      2.585367
  F      -6.783973     -1.629636      3.118010
  C      -4.454068     -1.045793      2.902440
  C      -4.567110      0.057997      3.895723
  O      -5.363835      0.017459      4.851181
  C      -3.679896      1.306728      3.711867
  C      -3.215432     -1.357237      2.312976
  C      -3.806687      9.855756     -0.309563
  C      -3.510834      8.627143      0.496193
  O      -2.819370      7.712227      0.044999
  C      -4.084839      8.522837      1.886086
  C      -4.876664      9.531215      2.466241
  C      -5.386213      9.385209      3.756750
  C      -5.093528      8.232539      4.465305
  F      -5.616690      8.116631      5.710673
  C      -4.308441      7.196149      3.932177
  C      -3.953077      5.923885      4.627623
  O      -3.459861      4.995653      4.005612
  C      -4.218595      5.792505      6.135115
  C      -3.820158      7.373941      2.625032
  C      -8.167773     -5.476856      4.703238
  C      -7.110732     -4.486833      5.089955
  O      -5.978768     -4.575607      4.631808
  C      -7.468676     -3.381129      6.044020
  C      -8.774960     -3.162161      6.501414
  C      -9.060468     -2.099926      7.328259
  C      -8.033974     -1.251917      7.689511
  F      -8.347724     -0.215553      8.492384
  C      -6.714042     -1.440573      7.281291
  C      -5.566882     -0.549699      7.608217
  O      -4.425172     -0.975869      7.570063
  C      -5.841810      0.917564      7.933449
  C      -6.460521     -2.524383      6.460086
  H      -0.434893     -3.959778     -0.284383
  H      -1.762468     -4.845514      0.509673
  H      -2.119818     -3.824572     -0.869770
  H      -4.066659     -4.136659      0.507218
  H      -6.285654     -3.595824      1.496476
  H      -4.332774      2.046058      3.278571
  H      -2.887810      1.142997      3.004283
  H      -2.327731     -0.765276      2.538096
  H      -3.427705     10.759559      0.208463
  H      -4.896408      9.974803     -0.437310
  H      -3.331113      9.769766     -1.292068
  H      -5.103582     10.439905      1.911605
  H      -6.008399     10.150082      4.220175
  H      -3.883821      6.707188      6.651559
  H      -5.314996      5.740521      6.266508
  H      -3.210514      6.585437      2.179631
  H      -8.607991     -5.945245      5.601822
  H      -7.724105     -6.254909      4.047644
  H      -8.982790     -4.959934      4.164101
  H      -9.581338     -3.821182      6.201971
  H     -10.066559     -1.909690      7.700652
  H      -6.266745      0.969356      8.946255
  H      -6.605468      1.282915      7.246294
  H      -5.444046     -2.689353      6.104652
  N      -5.692002      3.049011      5.510280
  H      -6.612819      3.164615      5.057251
88
Coordinates from ORCA-job orca E -6506.757343300430
  N      -3.108434      1.818783      4.947982
  Mo     -4.159917      2.799877      6.280635
  N      -4.638937      1.723680      7.842896
  C      -3.696976      1.548864      8.951378
  C      -2.305621      1.400530      8.377412
  N      -2.098134      2.473520      7.381284
  C      -1.136510      2.081546      6.328836
  C      -1.843556      1.191878      5.323999
  C      -1.730670      3.756395      8.025477
  C      -2.189559      4.891553      7.141301
  N      -3.567429      4.627445      6.723465
  H      -1.210180      1.075754      4.435449
  H      -2.020830      0.179863      5.730872
  H      -0.801112      2.994149      5.824594
  H      -0.260006      1.585955      6.769653
  H      -2.145610      5.836331      7.698650
  H      -1.537422      5.007610      6.261938
  H      -2.260607      3.809309      8.982957
  H      -0.648120      3.798823      8.224583
  H      -3.949272      0.651503      9.529261
  H      -3.761783      2.408044      9.634575
  H      -2.248976      0.437053      7.861813
  H      -1.527228      1.437487      9.153018
  C      -1.503095     -3.910417      0.017064
  C      -1.687783     -2.736542      0.952291
  O      -0.742576     -2.018143      1.270939
  C      -3.055653     -2.453410      1.496036
  C      -4.174786     -3.241732      1.206270
  C      -5.422525     -2.939379      1.754718
  C      -5.532022     -1.855508      2.598114
  F      -6.733766     -1.584309      3.097218
  C      -4.438800     -1.026405      2.911151
  C      -4.545997      0.082120      3.885072
  O      -5.309336      0.051406      4.789845
  C      -3.652018      1.328919      3.693252
  C      -3.207680     -1.351723      2.331650
  C      -3.806793      9.880033     -0.331344
  C      -3.505912      8.639818      0.500972
  O      -2.794684      7.707617      0.058524
  C      -4.086636      8.537797      1.888411
  C      -4.886372      9.537149      2.460462
  C      -5.398708      9.385305      3.745196
  C      -5.098365      8.231485      4.456747
  F      -5.622443      8.114460      5.700192
  C      -4.303750      7.204589      3.928837
  C      -3.940448      5.941092      4.630934
  O      -3.430619      5.025136      4.013678
  C      -4.213811      5.789824      6.138093
  C      -3.814422      7.389468      2.629884
  C      -8.234593     -5.536818      4.732556
  C      -7.133177     -4.557354      5.091408
  O      -5.994835     -4.653607      4.631744
  C      -7.469014     -3.437993      6.024327
  C      -8.778202     -3.208482      6.476714
  C      -9.057875     -2.125844      7.309737
  C      -8.020415     -1.271193      7.676520
  F      -8.319232     -0.220617      8.478162
  C      -6.697354     -1.469014      7.272294
  C      -5.548503     -0.572525      7.607313
  O      -4.430125     -0.990703      7.578233
  C      -5.832534      0.902802      7.932333
  C      -6.445125     -2.576101      6.441144
  H      -0.448369     -3.974278     -0.299557
  H      -1.793303     -4.854931      0.521159
  H      -2.146120     -3.795766     -0.876481
  H      -4.083061     -4.104040      0.546753
  H      -6.302070     -3.540779      1.541229
  H      -4.318510      2.108128      3.237279
  H      -2.828223      1.139417      2.957953
  H      -2.313877     -0.770394      2.547270
  H      -3.444098     10.795690      0.174625
  H      -4.885829     10.005229     -0.470256
  H      -3.318952      9.786818     -1.316283
  H      -5.119502     10.445230      1.905890
  H      -6.027871     10.146811      4.205017
  H      -3.890296      6.708038      6.658202
  H      -5.302815      5.726031      6.267716
  H      -3.196730      6.608385      2.189189
  H      -8.694128     -5.968061      5.630867
  H      -7.818774     -6.326092      4.117940
  H      -9.045778     -5.037195      4.174518
  H      -9.595647     -3.872546      6.175797
  H     -10.063474     -1.931619      7.674750
  H      -6.265935      0.941853      8.950022
  H      -6.602280      1.276798      7.245088
  H      -5.427593     -2.746912      6.095929
  N      -5.684924      3.055225      5.499160
  H      -6.607333      3.164289      5.049243
88
Coordinates from ORCA-job orca E -6506.756659824902
  N      -3.133614      1.821555      4.945926
  Mo     -4.191027      2.812969      6.286214
  N      -4.671742      1.727566      7.853275
  C      -3.721388      1.546062      8.966771
  C      -2.314699      1.389535      8.383709
  N      -2.107095      2.469569      7.374348
  C      -1.146216      2.073192      6.309734
  C      -1.864244      1.191377      5.313157
  C      -1.729876      3.749854      8.016603
  C      -2.188835      4.893835      7.136024
  N      -3.570386      4.640156      6.725547
  H      -1.234271      1.075053      4.417103
  H      -2.036943      0.181952      5.719684
  H      -0.811333      2.986787      5.795857
  H      -0.258877      1.569790      6.744127
  H      -2.135392      5.843784      7.697214
  H      -1.539692      5.006381      6.243836
  H      -2.254575      3.803637      8.979428
  H      -0.645312      3.788553      8.211262
  H      -3.978466      0.642614      9.552571
  H      -3.787256      2.414180      9.657232
  H      -2.264609      0.421939      7.868401
  H      -1.523866      1.422761      9.160166
  C      -1.533377     -3.895033      0.003362
  C      -1.696287     -2.738547      0.923124
  O      -0.756969     -2.071391      1.211549
  C      -3.059343     -2.443040      1.472300
  C      -4.189091     -3.224289      1.196884
  C      -5.446303     -2.919658      1.761503
  C      -5.555806     -1.839578      2.600287
  F      -6.758757     -1.561608      3.103000
  C      -4.459865     -1.017072      2.902806
  C      -4.575999      0.085048      3.880872
  O      -5.373276      0.043897      4.812135
  C      -3.684826      1.326951      3.700772
  C      -3.218515     -1.342043      2.311096
  C      -3.770148      9.867981     -0.319541
  C      -3.477646      8.627065      0.495538
  O      -2.790314      7.719572      0.064060
  C      -4.059479      8.531666      1.873985
  C      -4.853716      9.550771      2.428961
  C      -5.366493      9.413589      3.709384
  C      -5.075700      8.256458      4.437395
  F      -5.606120      8.148739      5.671592
  C      -4.288044      7.209454      3.930006
  C      -3.940918      5.936138      4.644351
  O      -3.444299      4.993925      4.047586
  C      -4.212192      5.806225      6.149853
  C      -3.796889      7.379114      2.631305
  C      -8.105956     -5.558108      4.713355
  C      -7.067161     -4.553206      5.103608
  O      -5.934200     -4.628974      4.640806
  C      -7.447066     -3.446215      6.052274
  C      -8.768921     -3.232137      6.506294
  C      -9.080670     -2.152002      7.340789
  C      -8.062041     -1.285462      7.708220
  F      -8.394018     -0.238288      8.511180
  C      -6.723956     -1.471047      7.296616
  C      -5.576801     -0.570801      7.616423
  O      -4.415616     -1.000028      7.568655
  C      -5.871693      0.910903      7.944247
  C      -6.446419     -2.574284      6.469369
  H      -0.489616     -3.962781     -0.294793
  H      -1.833900     -4.823796      0.495725
  H      -2.168938     -3.788652     -0.886641
  H      -4.100494     -4.086105      0.546410
  H      -6.334416     -3.518431      1.561722
  H      -4.346904      2.071377      3.247894
  H      -2.877683      1.155588      2.992001
  H      -2.317982     -0.761599      2.519865
  H      -3.402059     10.749941      0.189934
  H      -4.857185     10.019202     -0.465578
  H      -3.278461      9.778287     -1.284899
  H      -5.080482     10.459034      1.862788
  H      -5.991300     10.183799      4.155215
  H      -3.881208      6.721133      6.667645
  H      -5.305025      5.757554      6.278973
  H      -3.185277      6.583299      2.202675
  H      -8.549868     -6.052507      5.608018
  H      -7.641861     -6.331200      4.054941
  H      -8.924329     -5.034480      4.175518
  H      -9.567199     -3.901179      6.203229
  H     -10.095053     -1.970084      7.702791
  H      -6.303212      0.949697      8.973120
  H      -6.649685      1.287840      7.254981
  H      -5.421293     -2.732347      6.121495
  N      -5.717264      3.068672      5.501907
  H      -6.627061      3.192437      5.052610
88
Coordinates from ORCA-job orca E -6506.755846982407
  N      -3.109427      1.813781      4.938819
  Mo     -4.157176      2.801678      6.277809
  N      -4.630046      1.726196      7.842935
  C      -3.682041      1.551554      8.950853
  C      -2.288651      1.393007      8.377571
  N      -2.081432      2.465896      7.372223
  C      -1.125216      2.070023      6.313204
  C      -1.837855      1.183694      5.308688
  C      -1.706510      3.750479      8.012724
  C      -2.167678      4.887559      7.124052
  N      -3.549827      4.628786      6.712497
  H      -1.205947      1.067481      4.411815
  H      -2.011456      0.168716      5.712828
  H      -0.791709      2.984692      5.804495
  H      -0.243794      1.571724      6.749148
  H      -2.115368      5.840934      7.684199
  H      -1.516830      4.998251      6.233981
  H      -2.231847      3.810228      8.975492
  H      -0.622906      3.791876      8.209684
  H      -3.942792      0.657446      9.531556
  H      -3.742563      2.420273      9.635859
  H      -2.240015      0.422054      7.864346
  H      -1.504746      1.431440      9.152710
  C      -1.414821     -3.910604      0.028529
  C      -1.628700     -2.727514      0.960689
  O      -0.687898     -1.967115      1.296216
  C      -3.011273     -2.476288      1.485793
  C      -4.116105     -3.299933      1.180159
  C      -5.350136     -3.019225      1.706321
  C      -5.492984     -1.917622      2.563653
  F      -6.726055     -1.662175      3.065126
  C      -4.412916     -1.055556      2.890063
  C      -4.539345      0.061241      3.875929
  O      -5.350662      0.018425      4.834837
  C      -3.652838      1.315620      3.687227
  C      -3.188184     -1.360079      2.323663
  C      -3.871996      9.873590     -0.292046
  C      -3.555850      8.642152      0.490429
  O      -2.881203      7.772877      0.021998
  C      -4.106471      8.523238      1.881702
  C      -4.895783      9.528449      2.471844
  C      -5.387879      9.381874      3.768598
  C      -5.082312      8.229644      4.473795
  F      -5.593524      8.115585      5.730398
  C      -4.297708      7.193853      3.929821
  C      -3.936317      5.923441      4.629715
  O      -3.430463      4.972865      3.996966
  C      -4.197541      5.792042      6.139282
  C      -3.826211      7.373675      2.616346
  C      -8.294698     -5.488830      4.715738
  C      -7.205117     -4.507954      5.095459
  O      -6.078341     -4.602582      4.637459
  C      -7.534868     -3.394946      6.039229
  C      -8.841665     -3.157523      6.500760
  C      -9.107933     -2.077574      7.340552
  C      -8.058942     -1.232689      7.704936
  F      -8.351156     -0.180995      8.519019
  C      -6.733320     -1.442891      7.283138
  C      -5.560463     -0.563788      7.601687
  O      -4.392385     -1.010395      7.549072
  C      -5.827843      0.914651      7.932813
  C      -6.501709     -2.544059      6.451820
  H      -0.354083     -3.944493     -0.271157
  H      -1.697192     -4.864823      0.516551
  H      -2.049657     -3.819989     -0.860587
  H      -4.012161     -4.170414      0.525989
  H      -6.220291     -3.646578      1.484700
  H      -4.320218      2.067715      3.232258
  H      -2.835538      1.143529      2.969473
  H      -2.305732     -0.753324      2.549544
  H      -3.494520     10.771272      0.230571
  H      -4.963842      9.988427     -0.403651
  H      -3.407419      9.802660     -1.277703
  H      -5.133552     10.435406      1.919981
  H      -6.007914     10.144665      4.241499
  H      -3.866653      6.707428      6.656103
  H      -5.288773      5.735318      6.275473
  H      -3.219342      6.590584      2.161471
  H      -8.743386     -5.946251      5.605618
  H      -7.874902     -6.265399      4.073381
  H      -9.099669     -4.977451      4.179189
  H      -9.664699     -3.810526      6.202851
  H     -10.113256     -1.875602      7.714861
  H      -6.250151      0.962826      8.950559
  H      -6.597367      1.289264      7.250252
  H      -5.487598     -2.723063      6.095034
  N      -5.695356      3.052804      5.503628
  H      -6.609639      3.167842      5.059628
88
Coordinates from ORCA-job orca E -6506.755228891204
  N      -3.115436      1.802450      4.951890
  Mo     -4.161789      2.794418      6.278950
  N      -4.643852      1.723441      7.844323
  C      -3.703090      1.549315      8.950918
  C      -2.314709      1.397775      8.380987
  N      -2.102646      2.464409      7.379518
  C      -1.140075      2.064506      6.325323
  C      -1.847442      1.169056      5.326499
  C      -1.729786      3.747581      8.018844
  C      -2.184046      4.882303      7.130976
  N      -3.561319      4.618471      6.716944
  H      -1.210786      1.045538      4.428709
  H      -2.025427      0.152907      5.743158
  H      -0.803380      2.978653      5.813067
  H      -0.265276      1.568220      6.765596
  H      -2.137295      5.831903      7.683866
  H      -1.532750      4.992496      6.248037
  H      -2.260156      3.806282      8.977525
  H      -0.648411      3.786985      8.216683
  H      -3.957738      0.656933      9.532232
  H      -3.770403      2.409622      9.627337
  H      -2.258447      0.431980      7.871212
  H      -1.539183      1.434389      9.155121
  C      -1.499279     -3.921634      0.014928
  C      -1.673356     -2.754671      0.940760
  O      -0.712330     -2.011297      1.290536
  C      -3.043102     -2.472879      1.473038
  C      -4.154790     -3.258559      1.173291
  C      -5.402788     -2.958886      1.726322
  C      -5.535774     -1.872373      2.594077
  F      -6.773665     -1.599307      3.115291
  C      -4.439065     -1.046139      2.908745
  C      -4.555323      0.059315      3.892436
  O      -5.347708      0.031404      4.820917
  C      -3.660592      1.302377      3.705455
  C      -3.205416     -1.372464      2.320011
  C      -3.801350      9.892190     -0.311229
  C      -3.502452      8.652537      0.512682
  O      -2.780740      7.719779      0.075213
  C      -4.091803      8.548103      1.892177
  C      -4.901509      9.549268      2.462711
  C      -5.419802      9.397049      3.744668
  C      -5.116667      8.243535      4.452292
  F      -5.651125      8.125150      5.688619
  C      -4.312738      7.214715      3.925189
  C      -3.947771      5.945971      4.616642
  O      -3.448657      5.049536      3.991409
  C      -4.212776      5.787598      6.127563
  C      -3.817930      7.400175      2.628550
  C      -8.220086     -5.510978      4.743400
  C      -7.127393     -4.531489      5.095519
  O      -5.985634     -4.621125      4.617373
  C      -7.469725     -3.415318      6.037655
  C      -8.769309     -3.189456      6.493182
  C      -9.043829     -2.116471      7.318487
  C      -8.011193     -1.264066      7.678947
  F      -8.308542     -0.216652      8.475907
  C      -6.699590     -1.457927      7.274843
  C      -5.554727     -0.562115      7.602358
  O      -4.435000     -0.978039      7.565444
  C      -5.836811      0.908282      7.930200
  C      -6.452813     -2.554078      6.450843
  H      -0.466523     -3.995672     -0.281962
  H      -1.787046     -4.836034      0.520788
  H      -2.139501     -3.807382     -0.887833
  H      -4.055430     -4.117441      0.507838
  H      -6.278359     -3.555364      1.510503
  H      -4.312876      2.065998      3.254166
  H      -2.850915      1.112823      2.983322
  H      -2.315869     -0.798807      2.538430
  H      -3.445466     10.804865      0.201203
  H      -4.878567     10.019160     -0.454880
  H      -3.304522      9.803533     -1.286958
  H      -5.137272     10.458315      1.908383
  H      -6.057957     10.161113      4.200684
  H      -3.888602      6.705380      6.649631
  H      -5.304668      5.723713      6.261690
  H      -3.193605      6.616274      2.188865
  H      -8.658030     -5.957849      5.639763
  H      -7.801569     -6.287314      4.116300
  H      -9.043828     -5.005335      4.210274
  H      -9.583234     -3.852847      6.195581
  H     -10.045233     -1.922245      7.687006
  H      -6.269202      0.946617      8.941617
  H      -6.597909      1.282446      7.245025
  H      -5.440298     -2.723838      6.099812
  N      -5.679808      3.060928      5.485561
  H      -6.569475      3.180754      5.042761
88
Coordinates from ORCA-job orca E -6506.758161141943
  N      -3.137916      1.826703      4.954635
  Mo     -4.184445      2.809688      6.287953
  N      -4.656607      1.730487      7.847495
  C      -3.704997      1.553444      8.958456
  C      -2.306600      1.399099      8.378726
  N      -2.103641      2.473906      7.376062
  C      -1.146955      2.080908      6.316444
  C      -1.868584      1.198576      5.321149
  C      -1.729050      3.756586      8.018157
  C      -2.194545      4.894238      7.133657
  N      -3.579278      4.638368      6.722050
  H      -1.243285      1.080763      4.426220
  H      -2.041458      0.192971      5.726839
  H      -0.814237      2.989499      5.806628
  H      -0.261482      1.584576      6.749193
  H      -2.143777      5.841568      7.691118
  H      -1.545664      5.005007      6.247009
  H      -2.253275      3.811260      8.983716
  H      -0.641147      3.798004      8.212060
  H      -3.956559      0.654569      9.540599
  H      -3.768591      2.417482      9.647511
  H      -2.254135      0.432426      7.863318
  H      -1.517459      1.434832      9.154639
  C      -1.499873     -3.904796     -0.012061
  C      -1.693741     -2.731645      0.941868
  O      -0.760281     -2.037805      1.255292
  C      -3.064985     -2.445801      1.490637
  C      -4.187251     -3.242520      1.201404
  C      -5.447259     -2.946058      1.756791
  C      -5.562197     -1.858346      2.601070
  F      -6.756042     -1.590769      3.086811
  C      -4.470863     -1.020761      2.918691
  C      -4.579361      0.088518      3.893756
  O      -5.351562      0.057753      4.803656
  C      -3.686048      1.330975      3.711238
  C      -3.228608     -1.339503      2.334563
  C      -3.774968      9.860297     -0.334768
  C      -3.489944      8.621191      0.490648
  O      -2.795842      7.692252      0.047290
  C      -4.070509      8.527688      1.881962
  C      -4.858468      9.537558      2.452444
  C      -5.368091      9.394700      3.742275
  C      -5.078547      8.240292      4.461303
  F      -5.601442      8.128183      5.707030
  C      -4.296586      7.204015      3.936998
  C      -3.948543      5.936364      4.643739
  O      -3.451082      4.997267      4.034094
  C      -4.219367      5.800415      6.148876
  C      -3.808912      7.378907      2.632056
  C      -8.156021     -5.538819      4.709103
  C      -7.090852     -4.541140      5.096591
  O      -5.957759     -4.621561      4.637720
  C      -7.449915     -3.432986      6.042376
  C      -8.766494     -3.219054      6.499440
  C      -9.063531     -2.145061      7.330278
  C      -8.037145     -1.282766      7.692060
  F      -8.356830     -0.241015      8.495642
  C      -6.706072     -1.465191      7.281501
  C      -5.562555     -0.560211      7.607581
  O      -4.424642     -0.975573      7.565024
  C      -5.851555      0.911312      7.935396
  C      -6.439549     -2.563578      6.457785
  H      -0.438057     -3.967129     -0.322934
  H      -1.803259     -4.864722      0.475405
  H      -2.123582     -3.789084     -0.903640
  H      -4.089604     -4.109642      0.541999
  H      -6.327702     -3.555142      1.542268
  H      -4.342081      2.083556      3.264771
  H      -2.881741      1.153953      2.997053
  H      -2.331601     -0.749196      2.550005
  H      -3.396476     10.761821      0.173918
  H      -4.858567     10.002247     -0.471695
  H      -3.286456      9.764246     -1.316319
  H      -5.084386     10.444434      1.893166
  H      -5.987939     10.159546      4.200976
  H      -3.892220      6.715038      6.666781
  H      -5.307598      5.744872      6.274743
  H      -3.201304      6.590210      2.192884
  H      -8.606206     -6.008442      5.598083
  H      -7.719043     -6.315740      4.064659
  H      -8.964695     -5.030218      4.165824
  H      -9.573702     -3.887577      6.200678
  H     -10.076434     -1.962394      7.699774
  H      -6.281526      0.949260      8.952908
  H      -6.624137      1.281377      7.249099
  H      -5.417166     -2.720664      6.108819
  N      -5.706364      3.057153      5.516609
  H      -6.653536      3.177033      5.054106
88
Coordinates from ORCA-job orca E -6506.756564269382
  N      -3.096338      1.820697      4.928424
  Mo     -4.156223      2.803479      6.268276
  N      -4.643812      1.723291      7.831273
  C      -3.704120      1.545408      8.941227
  C      -2.309059      1.386798      8.375233
  N      -2.095010      2.466635      7.373540
  C      -1.130941      2.072698      6.316291
  C      -1.828357      1.186109      5.303770
  C      -1.725943      3.750430      8.019304
  C      -2.182110      4.891290      7.135422
  N      -3.556871      4.627052      6.716459
  H      -1.190287      1.074159      4.407936
  H      -2.005228      0.164486      5.706974
  H      -0.795790      2.996073      5.812036
  H      -0.253191      1.566178      6.758901
  H      -2.136979      5.843392      7.699358
  H      -1.528099      5.009687      6.248239
  H      -2.256831      3.803566      8.976566
  H      -0.644792      3.791592      8.220443
  H      -3.971070      0.650280      9.516742
  H      -3.763496      2.413140      9.626109
  H      -2.257062      0.416869      7.858473
  H      -1.533161      1.421882      9.155237
  C      -1.495860     -3.916420      0.057247
  C      -1.663594     -2.744172      0.960818
  O      -0.728731     -2.044681      1.265722
  C      -3.028179     -2.461587      1.488371
  C      -4.152313     -3.259524      1.199747
  C      -5.384964     -2.958090      1.734071
  C      -5.497654     -1.870387      2.571967
  F      -6.724963     -1.598050      3.089574
  C      -4.404844     -1.032677      2.881554
  C      -4.524871      0.079716      3.861555
  O      -5.327891      0.037344      4.810136
  C      -3.634767      1.332135      3.667114
  C      -3.177475     -1.353820      2.307845
  C      -3.842946      9.897267     -0.290581
  C      -3.522339      8.664963      0.501207
  O      -2.831601      7.792977      0.047813
  C      -4.087251      8.538511      1.883463
  C      -4.892108      9.535208      2.457226
  C      -5.395874      9.379547      3.741590
  C      -5.086859      8.224452      4.453837
  F      -5.608570      8.101623      5.698467
  C      -4.287830      7.197026      3.926310
  C      -3.924981      5.926750      4.632876
  O      -3.405469      4.980063      4.019641
  C      -4.204239      5.791094      6.138403
  C      -3.804044      7.385681      2.625003
  C      -8.235564     -5.530711      4.742238
  C      -7.155508     -4.541553      5.100497
  O      -6.032262     -4.635676      4.635169
  C      -7.496878     -3.426465      6.035143
  C      -8.811153     -3.193372      6.496304
  C      -9.095622     -2.105677      7.334698
  C      -8.059783     -1.251589      7.697909
  F      -8.368341     -0.196545      8.508009
  C      -6.726008     -1.459035      7.276996
  C      -5.561681     -0.574868      7.592550
  O      -4.385490     -1.023766      7.543164
  C      -5.839380      0.907122      7.920012
  C      -6.476576     -2.567468      6.444909
  H      -0.446446     -3.970883     -0.237683
  H      -1.787096     -4.843152      0.558466
  H      -2.136403     -3.827696     -0.830001
  H      -4.068272     -4.124824      0.557299
  H      -6.269802     -3.566301      1.527046
  H      -4.305342      2.102389      3.209016
  H      -2.809798      1.152195      2.938266
  H      -2.283925     -0.764178      2.527231
  H      -3.483006     10.795212      0.232574
  H      -4.933025     10.003145     -0.415998
  H      -3.370423      9.830998     -1.268999
  H      -5.133100     10.443098      1.901312
  H      -6.027755     10.135108      4.202581
  H      -3.880436      6.707353      6.658839
  H      -5.294089      5.732200      6.269562
  H      -3.185873      6.609762      2.181833
  H      -8.673086     -5.982697      5.651666
  H      -7.803975     -6.315622      4.102245
  H      -9.060184     -5.026468      4.198210
  H      -9.623241     -3.852740      6.199920
  H     -10.103191     -1.909649      7.703916
  H      -6.266833      0.955740      8.943276
  H      -6.613687      1.282748      7.231015
  H      -5.458645     -2.742891      6.091447
  N      -5.688089      3.074704      5.478473
  H      -6.587410      3.184393      5.045421
88
Coordinates from ORCA-job orca E -6506.758275081887
  N      -3.131282      1.801992      4.950234
  Mo     -4.172941      2.799996      6.279904
  N      -4.645939      1.731343      7.852131
  C      -3.693147      1.560584      8.959914
  C      -2.298332      1.408035      8.376558
  N      -2.092702      2.473494      7.368063
  C      -1.135948      2.071745      6.306934
  C      -1.857680      1.178588      5.317916
  C      -1.708283      3.755225      8.001683
  C      -2.169302      4.886677      7.108229
  N      -3.557311      4.630149      6.706947
  H      -1.227411      1.052831      4.423948
  H      -2.031850      0.171963      5.732533
  H      -0.802120      2.977804      5.788871
  H      -0.248896      1.583508      6.738458
  H      -2.109973      5.840602      7.657164
  H      -1.521884      4.986505      6.217614
  H      -2.229094      3.823821      8.967528
  H      -0.621992      3.791845      8.191740
  H      -3.943056      0.663798      9.550984
  H      -3.761143      2.426938      9.642066
  H      -2.247541      0.441296      7.869534
  H      -1.509335      1.446934      9.147511
  C      -1.435001     -3.935464     -0.000359
  C      -1.643928     -2.761575      0.936067
  O      -0.692011     -2.006795      1.270128
  C      -3.034798     -2.492165      1.480910
  C      -4.136074     -3.289708      1.174109
  C      -5.381506     -2.996581      1.724987
  C      -5.522896     -1.906769      2.594038
  F      -6.747300     -1.636727      3.098787
  C      -4.445084     -1.068946      2.919020
  C      -4.571554      0.045274      3.900023
  O      -5.384808      0.015507      4.840385
  C      -3.680248      1.291128      3.712314
  C      -3.216772     -1.385943      2.338032
  C      -3.825938      9.897473     -0.279701
  C      -3.521440      8.653292      0.507555
  O      -2.838616      7.763703      0.052790
  C      -4.086529      8.549814      1.884213
  C      -4.875069      9.574279      2.464437
  C      -5.384283      9.438849      3.751105
  C      -5.092154      8.277956      4.456478
  F      -5.616462      8.173495      5.699663
  C      -4.307809      7.224110      3.921577
  C      -3.953758      5.946837      4.615672
  O      -3.468200      5.026583      3.985816
  C      -4.207729      5.800707      6.129602
  C      -3.821663      7.393927      2.616917
  C      -8.237330     -5.530068      4.722098
  C      -7.156665     -4.539236      5.096737
  O      -6.020933     -4.628328      4.626675
  C      -7.500912     -3.419375      6.044977
  C      -8.808512     -3.187351      6.497746
  C      -9.085161     -2.104967      7.328442
  C      -8.045866     -1.252660      7.694680
  F      -8.343080     -0.198532      8.487015
  C      -6.724030     -1.455100      7.291106
  C      -5.564201     -0.563145      7.615428
  O      -4.420057     -0.990113      7.573310
  C      -5.843148      0.911707      7.945810
  C      -6.479204     -2.558712      6.463532
  H      -0.379617     -3.996192     -0.316034
  H      -1.712399     -4.877943      0.509769
  H      -2.083187     -3.813589     -0.899876
  H      -4.025501     -4.151626      0.501614
  H      -6.246197     -3.602943      1.500038
  H      -4.334488      2.033262      3.257572
  H      -2.874931      1.113293      3.006261
  H      -2.336171     -0.799556      2.561699
  H      -3.447735     10.782467      0.239606
  H      -4.914155     10.043394     -0.407381
  H      -3.352671      9.819323     -1.251150
  H      -5.100801     10.487771      1.912111
  H      -6.004935     10.219166      4.215534
  H      -3.870635      6.724292      6.649852
  H      -5.311242      5.743390      6.274950
  H      -3.212143      6.591399      2.168328
  H      -8.687937     -5.988518      5.609394
  H      -7.813653     -6.308348      4.089139
  H      -9.040873     -5.026099      4.185850
  H      -9.624292     -3.849256      6.195118
  H     -10.089475     -1.906743      7.690174
  H      -6.268396      0.948193      8.966830
  H      -6.616166      1.285314      7.265277
  H      -5.462042     -2.733199      6.113036
  N      -5.696480      3.042769      5.500982
  H      -6.598353      3.170412      5.034462
88
Coordinates from ORCA-job orca E -6506.757207589720
  N      -3.125713      1.819690      4.939960
  Mo     -4.173573      2.806918      6.276257
  N      -4.646918      1.724316      7.839654
  C      -3.697863      1.544307      8.949884
  C      -2.302005      1.391358      8.370441
  N      -2.099015      2.469121      7.368504
  C      -1.141588      2.074895      6.309209
  C      -1.856988      1.186614      5.309799
  C      -1.729477      3.753252      8.013332
  C      -2.194415      4.892958      7.131273
  N      -3.574132      4.632672      6.717646
  H      -1.226458      1.066738      4.413677
  H      -2.032128      0.175549      5.719326
  H      -0.808365      2.987443      5.799559
  H      -0.260449      1.578424      6.745560
  H      -2.149134      5.840100      7.692193
  H      -1.544047      5.010288      6.245141
  H      -2.256642      3.803923      8.976360
  H      -0.645822      3.796465      8.209735
  H      -3.949229      0.644654      9.530291
  H      -3.762437      2.406613      9.638144
  H      -2.247265      0.423608      7.852025
  H      -1.515678      1.425071      9.146762
  C      -1.499515     -3.888543      0.036394
  C      -1.686083     -2.718240      0.968510
  O      -0.734473     -1.986035      1.301119
  C      -3.055010     -2.449789      1.494595
  C      -4.175867     -3.259072      1.202887
  C      -5.434711     -2.973227      1.747586
  C      -5.559594     -1.878233      2.593094
  F      -6.772512     -1.618443      3.083086
  C      -4.461688     -1.029360      2.908037
  C      -4.572100      0.081892      3.881746
  O      -5.348190      0.050333      4.799571
  C      -3.676342      1.326259      3.692294
  C      -3.218890     -1.341162      2.330026
  C      -3.782648      9.870498     -0.341334
  C      -3.501000      8.633740      0.498454
  O      -2.792942      7.683872      0.057231
  C      -4.085872      8.536886      1.896656
  C      -4.875633      9.537159      2.474026
  C      -5.383295      9.384240      3.765455
  C      -5.090437      8.231569      4.477254
  F      -5.611957      8.112682      5.725161
  C      -4.306819      7.204718      3.945719
  C      -3.952347      5.938797      4.644552
  O      -3.453307      5.014769      4.024277
  C      -4.218541      5.791619      6.144877
  C      -3.821659      7.389312      2.640860
  C      -8.194113     -5.526966      4.729385
  C      -7.114613     -4.537039      5.102004
  O      -5.975633     -4.626188      4.641294
  C      -7.460965     -3.422564      6.038452
  C      -8.768270     -3.199611      6.489738
  C      -9.049726     -2.126111      7.309476
  C      -8.016407     -1.271256      7.667629
  F      -8.323752     -0.225703      8.467727
  C      -6.694824     -1.462285      7.262885
  C      -5.550166     -0.564429      7.591754
  O      -4.429285     -0.977664      7.552421
  C      -5.838188      0.906671      7.923993
  C      -6.442002     -2.559454      6.447622
  H      -0.459916     -3.942077     -0.249847
  H      -1.795007     -4.820673      0.513244
  H      -2.120968     -3.793022     -0.854608
  H      -4.078258     -4.126659      0.551732
  H      -6.317001     -3.592513      1.533419
  H      -4.334837      2.088794      3.241845
  H      -2.867250      1.140863      2.967567
  H      -2.322628     -0.744229      2.547002
  H      -3.409122     10.784931      0.163597
  H      -4.860767     10.001990     -0.478381
  H      -3.288217      9.768745     -1.331789
  H      -5.104037     10.445063      1.919345
  H      -6.004432     10.143556      4.229119
  H      -3.897758      6.696259      6.665365
  H      -5.297661      5.729828      6.267679
  H      -3.213381      6.608735      2.197960
  H      -8.639011     -5.984277      5.630495
  H      -7.764687     -6.308600      4.088271
  H      -9.013544     -5.016248      4.184720
  H      -9.582813     -3.864481      6.195230
  H     -10.059367     -1.934187      7.679340
  H      -6.270232      0.943386      8.940776
  H      -6.607013      1.281249      7.237931
  H      -5.424399     -2.725792      6.101577
  N      -5.705906      3.063789      5.500968
  H      -6.635433      3.179439      5.057934
88
Coordinates from ORCA-job orca E -6506.755708776785
  N      -3.125436      1.812255      4.951194
  Mo     -4.170787      2.801374      6.277420
  N      -4.662899      1.738824      7.833001
  C      -3.723836      1.569520      8.937011
  C      -2.335129      1.402297      8.379106
  N      -2.112495      2.466595      7.381575
  C      -1.153350      2.063840      6.332411
  C      -1.860143      1.177761      5.324753
  C      -1.729393      3.749070      8.020996
  C      -2.177184      4.881952      7.134634
  N      -3.559353      4.627906      6.719253
  H      -1.225268      1.060088      4.429483
  H      -2.039685      0.160613      5.727730
  H      -0.814266      2.978106      5.825086
  H      -0.273134      1.562887      6.772270
  H      -2.118282      5.832613      7.688490
  H      -1.524382      4.985867      6.254902
  H      -2.256532      3.812717      8.975975
  H      -0.645311      3.786143      8.220778
  H      -3.996096      0.687216      9.510807
  H      -3.774032      2.435457      9.612361
  H      -2.294005      0.433992      7.870517
  H      -1.562152      1.440652      9.155296
  C      -1.525569     -3.959722      0.028698
  C      -1.700321     -2.777103      0.963478
  O      -0.775143     -2.108193      1.267627
  C      -3.061529     -2.467014      1.497657
  C      -4.180315     -3.240714      1.192534
  C      -5.424735     -2.920622      1.731379
  C      -5.547481     -1.838888      2.589535
  F      -6.779481     -1.550737      3.109268
  C      -4.451063     -1.022737      2.908399
  C      -4.564193      0.085919      3.885329
  O      -5.342104      0.062836      4.800687
  C      -3.670789      1.319908      3.698989
  C      -3.212115     -1.362973      2.329292
  C      -3.822029      9.881481     -0.312893
  C      -3.517143      8.648298      0.494835
  O      -2.812989      7.731641      0.045540
  C      -4.087244      8.539731      1.889184
  C      -4.878441      9.536061      2.473337
  C      -5.375950      9.380910      3.761875
  C      -5.072060      8.226520      4.467291
  F      -5.586653      8.101864      5.711793
  C      -4.286440      7.202864      3.929831
  C      -3.928519      5.933577      4.630494
  O      -3.424910      4.992336      4.023180
  C      -4.202147      5.799532      6.143969
  C      -3.810765      7.389675      2.626249
  C      -8.127435     -5.510751      4.720147
  C      -7.066596     -4.514643      5.078450
  O      -5.939229     -4.588735      4.607111
  C      -7.432653     -3.416357      6.019352
  C      -8.748448     -3.210537      6.478357
  C      -9.060015     -2.139178      7.323563
  C      -8.049124     -1.271878      7.694046
  F      -8.388396     -0.231934      8.518437
  C      -6.714954     -1.450025      7.274487
  C      -5.576416     -0.545323      7.595485
  O      -4.408405     -0.979050      7.548192
  C      -5.858473      0.925035      7.921202
  C      -6.437391     -2.544915      6.438083
  H      -0.459303     -4.037584     -0.287782
  H      -1.835980     -4.916314      0.542448
  H      -2.153338     -3.839744     -0.866978
  H      -4.088164     -4.103440      0.534244
  H      -6.306944     -3.511541      1.511353
  H      -4.327974      2.080823      3.247379
  H      -2.861769      1.135860      2.979226
  H      -2.316460     -0.790563      2.554325
  H      -3.451985     10.781957      0.200303
  H      -4.910124     10.003733     -0.439445
  H      -3.340640      9.797214     -1.295802
  H      -5.116062     10.442323      1.924668
  H      -5.997570     10.134408      4.230880
  H      -3.870911      6.721024      6.660886
  H      -5.292353      5.743824      6.282255
  H      -3.202630      6.614549      2.175922
  H      -8.564673     -5.966635      5.608495
  H      -7.689844     -6.283631      4.092686
  H      -8.948633     -5.016872      4.181149
  H      -9.542485     -3.880595      6.175583
  H     -10.072978     -1.964448      7.694331
  H      -6.284780      0.970732      8.931778
  H      -6.626530      1.293336      7.237238
  H      -5.418067     -2.696323      6.087232
  N      -5.688834      3.067089      5.480308
  H      -6.592519      3.179394      5.029536
88
Coordinates from ORCA-job orca E -6506.756547099377
  N      -3.108859      1.812725      4.931262
  Mo     -4.162421      2.801902      6.268670
  N      -4.638140      1.723293      7.836280
  C      -3.691928      1.546908      8.948324
  C      -2.295312      1.391203      8.372162
  N      -2.088989      2.469378      7.365118
  C      -1.127906      2.075006      6.300882
  C      -1.834646      1.186480      5.301185
  C      -1.717156      3.752291      8.005790
  C      -2.181915      4.892611      7.116755
  N      -3.560408      4.628267      6.707975
  H      -1.201701      1.071059      4.402587
  H      -2.005074      0.170793      5.710691
  H      -0.797433      2.992977      5.787590
  H      -0.242127      1.578501      6.736069
  H      -2.133544      5.847979      7.672980
  H      -1.532400      5.004162      6.222617
  H      -2.243247      3.808662      8.971680
  H      -0.633171      3.791685      8.198814
  H      -3.949198      0.647736      9.533753
  H      -3.757317      2.415388      9.634172
  H      -2.241319      0.421950      7.858286
  H      -1.513206      1.427428      9.148874
  C      -1.452340     -3.940961      0.036649
  C      -1.641918     -2.766513      0.954796
  O      -0.703469     -2.038975      1.271622
  C      -3.022068     -2.489678      1.492162
  C      -4.144029     -3.287407      1.203669
  C      -5.382136     -2.988492      1.745121
  C      -5.494673     -1.901257      2.582509
  F      -6.700089     -1.628060      3.077383
  C      -4.410143     -1.062721      2.897493
  C      -4.537238      0.056433      3.875020
  O      -5.357249      0.019708      4.828408
  C      -3.647919      1.311605      3.680593
  C      -3.184503     -1.381386      2.324671
  C      -3.841877      9.931629     -0.264995
  C      -3.520385      8.688560      0.511562
  O      -2.842760      7.836068      0.054887
  C      -4.081175      8.562051      1.881307
  C      -4.881451      9.577535      2.452886
  C      -5.392878      9.430712      3.735951
  C      -5.093371      8.265856      4.448241
  F      -5.621902      8.149693      5.689238
  C      -4.297887      7.218985      3.921090
  C      -3.941203      5.939474      4.620904
  O      -3.436356      5.007589      3.999819
  C      -4.212847      5.795922      6.131932
  C      -3.807529      7.400449      2.619435
  C      -8.264584     -5.551364      4.743086
  C      -7.177975     -4.560779      5.108308
  O      -6.050175     -4.659291      4.644106
  C      -7.515348     -3.433930      6.046358
  C      -8.830795     -3.189962      6.503368
  C      -9.103724     -2.096869      7.330814
  C      -8.056224     -1.248314      7.689730
  F      -8.347176     -0.188946      8.476787
  C      -6.726433     -1.463530      7.281928
  C      -5.557264     -0.579371      7.600197
  O      -4.402549     -1.015831      7.558569
  C      -5.832719      0.902798      7.926215
  C      -6.485898     -2.576640      6.457136
  H      -0.400985     -3.995135     -0.264951
  H      -1.736470     -4.872560      0.540336
  H      -2.094394     -3.841478     -0.858832
  H      -4.052697     -4.151562      0.553033
  H      -6.260562     -3.594513      1.533103
  H      -4.312151      2.070658      3.223777
  H      -2.828158      1.133210      2.962058
  H      -2.294954     -0.792500      2.543112
  H      -3.472207     10.819592      0.264331
  H      -4.932329     10.055718     -0.392158
  H      -3.376155      9.871618     -1.235541
  H      -5.113804     10.493812      1.894640
  H      -6.022469     10.202692      4.194699
  H      -3.883689      6.718233      6.655015
  H      -5.314469      5.736892      6.269056
  H      -3.190356      6.606287      2.175909
  H      -8.713483     -6.000331      5.648337
  H      -7.838607     -6.339900      4.108839
  H      -9.076889     -5.048305      4.195310
  H      -9.651432     -3.847729      6.207481
  H     -10.109197     -1.891265      7.693085
  H      -6.258423      0.947050      8.950287
  H      -6.606237      1.277044      7.240891
  H      -5.465570     -2.760320      6.106154
  N      -5.685167      3.057009      5.492133
  H      -6.593829      3.175087      5.040170
88
Coordinates from ORCA-job orca E -6506.757583481211
  N      -3.124017      1.818875      4.942739
  Mo     -4.163510      2.810654      6.277004
  N      -4.655978      1.735906      7.839084
  C      -3.705425      1.560897      8.949668
  C      -2.310765      1.394951      8.369443
  N      -2.096668      2.466448      7.368903
  C      -1.141922      2.061014      6.318636
  C      -1.861608      1.175558      5.315726
  C      -1.710353      3.746203      8.011415
  C      -2.166242      4.881570      7.125427
  N      -3.553892      4.636187      6.716177
  H      -1.224337      1.052059      4.429034
  H      -2.047477      0.167504      5.717014
  H      -0.796307      2.966222      5.814992
  H      -0.268138      1.564557      6.756625
  H      -2.103915      5.828073      7.683213
  H      -1.510297      4.988990      6.244069
  H      -2.232241      3.809649      8.975494
  H      -0.626151      3.783460      8.206875
  H      -3.967561      0.666381      9.533184
  H      -3.758193      2.427654      9.632970
  H      -2.269963      0.427593      7.851259
  H      -1.516738      1.428827      9.145624
  C      -1.454109     -3.910814      0.058977
  C      -1.651521     -2.739441      0.984315
  O      -0.676980     -1.991190      1.335435
  C      -3.036745     -2.461092      1.489856
  C      -4.144675     -3.257415      1.166509
  C      -5.405100     -2.956358      1.692704
  C      -5.551490     -1.858960      2.559845
  F      -6.783025     -1.579871      3.045652
  C      -4.459321     -1.024673      2.898107
  C      -4.577574      0.084847      3.876142
  O      -5.378302      0.052124      4.811080
  C      -3.676627      1.325967      3.696273
  C      -3.216728     -1.347606      2.336573
  C      -3.828952      9.836255     -0.342699
  C      -3.548356      8.602065      0.487483
  O      -2.872404      7.659126      0.030914
  C      -4.106125      8.522689      1.895920
  C      -4.875389      9.540549      2.486946
  C      -5.364988      9.409094      3.782991
  C      -5.074630      8.261948      4.490000
  F      -5.580515      8.170171      5.746489
  C      -4.305802      7.217314      3.948095
  C      -3.945191      5.958131      4.647619
  O      -3.457341      5.032736      4.006579
  C      -4.192613      5.803556      6.149630
  C      -3.840607      7.381411      2.635726
  C      -8.216440     -5.521545      4.708000
  C      -7.152848     -4.514255      5.074171
  O      -6.025232     -4.585495      4.588011
  C      -7.490122     -3.410880      6.032412
  C      -8.787947     -3.200200      6.510781
  C      -9.060657     -2.135678      7.353205
  C      -8.024177     -1.277135      7.705156
  F      -8.322539     -0.245129      8.535262
  C      -6.709246     -1.457075      7.269795
  C      -5.559579     -0.555755      7.588036
  O      -4.413605     -0.974141      7.531204
  C      -5.851145      0.912572      7.924682
  C      -6.467161     -2.545274      6.436538
  H      -0.402229     -3.978391     -0.224178
  H      -1.760473     -4.841533      0.544565
  H      -2.071767     -3.795481     -0.846890
  H      -4.032414     -4.127039      0.501617
  H      -6.282132     -3.562856      1.459072
  H      -4.326318      2.082440      3.248078
  H      -2.873977      1.147842      2.979198
  H      -2.328436     -0.760990      2.572615
  H      -3.446627     10.744370      0.145539
  H      -4.907846      9.981171     -0.446699
  H      -3.351193      9.723424     -1.342747
  H      -5.101177     10.443503      1.935653
  H      -5.970650     10.181832      4.256898
  H      -3.857999      6.702269      6.669757
  H      -5.273231      5.746708      6.283855
  H      -3.245736      6.590880      2.182261
  H      -8.638399     -6.000119      5.606793
  H      -7.785180     -6.290814      4.050768
  H      -9.046153     -5.020282      4.190542
  H      -9.604479     -3.866774      6.222593
  H     -10.061846     -1.953857      7.744267
  H      -6.284424      0.942947      8.944991
  H      -6.627530      1.289023      7.239076
  H      -5.456512     -2.702991      6.070860
  N      -5.697544      3.068189      5.483044
  H      -6.610589      3.169206      5.041217
88
Coordinates from ORCA-job orca E -6506.757681650452
  N      -3.122644      1.807032      4.932973
  Mo     -4.168483      2.806253      6.268156
  N      -4.647834      1.733025      7.831697
  C      -3.707156      1.558220      8.943131
  C      -2.311815      1.390150      8.373001
  N      -2.097098      2.461177      7.367693
  C      -1.137670      2.056320      6.305733
  C      -1.855878      1.173613      5.305080
  C      -1.715329      3.744140      8.007886
  C      -2.170334      4.888773      7.124362
  N      -3.552152      4.630151      6.713317
  H      -1.229984      1.053601      4.405898
  H      -2.032130      0.160684      5.715667
  H      -0.801015      2.971119      5.792984
  H      -0.253320      1.546503      6.741034
  H      -2.118625      5.841452      7.680950
  H      -1.524599      4.997216      6.233613
  H      -2.244070      3.801572      8.967503
  H      -0.629884      3.776453      8.205294
  H      -3.969341      0.664161      9.525676
  H      -3.765207      2.426680      9.624534
  H      -2.265180      0.420348      7.865855
  H      -1.538732      1.427543      9.149907
  C      -1.508650     -3.957731      0.080114
  C      -1.695012     -2.778367      1.013384
  O      -0.759167     -2.077973      1.347430
  C      -3.064078     -2.484947      1.525845
  C      -4.186808     -3.276838      1.219311
  C      -5.434678     -2.968983      1.736873
  C      -5.555888     -1.877572      2.578552
  F      -6.785813     -1.604826      3.070304
  C      -4.459484     -1.042733      2.905990
  C      -4.574371      0.073524      3.876721
  O      -5.352465      0.049474      4.784361
  C      -3.674332      1.311301      3.685156
  C      -3.220901     -1.373498      2.347157
  C      -3.831966      9.924245     -0.295144
  C      -3.531917      8.683354      0.497016
  O      -2.822479      7.753137      0.049737
  C      -4.103531      8.564642      1.882314
  C      -4.896167      9.566923      2.460488
  C      -5.390701      9.406513      3.757690
  C      -5.081258      8.240186      4.473335
  F      -5.588486      8.107212      5.725033
  C      -4.295899      7.209649      3.937033
  C      -3.932192      5.930376      4.634957
  O      -3.431131      5.004383      4.036852
  C      -4.201842      5.794565      6.144935
  C      -3.824248      7.402230      2.626584
  C      -8.169159     -5.515155      4.721367
  C      -7.083787     -4.531010      5.080548
  O      -5.939057     -4.623421      4.615785
  C      -7.438895     -3.418168      6.011478
  C      -8.749186     -3.194979      6.452481
  C      -9.045016     -2.117449      7.285178
  C      -8.024009     -1.259181      7.661232
  F      -8.342495     -0.211510      8.469305
  C      -6.698264     -1.450767      7.261022
  C      -5.558256     -0.552705      7.591066
  O      -4.439206     -0.967864      7.557713
  C      -5.840157      0.924046      7.914122
  C      -6.432892     -2.553777      6.434343
  H      -0.456960     -4.021736     -0.202869
  H      -1.822554     -4.898957      0.564949
  H      -2.117673     -3.858743     -0.818566
  H      -4.096259     -4.144025      0.576514
  H      -6.317985     -3.573273      1.513442
  H      -4.331148      2.071428      3.229790
  H      -2.864933      1.118635      2.967346
  H      -2.324401     -0.789491      2.576684
  H      -3.452944     10.804906      0.233159
  H      -4.922348     10.059844     -0.439946
  H      -3.352454      9.855042     -1.257090
  H      -5.135452     10.484051      1.903060
  H      -6.012314     10.166128      4.224588
  H      -3.867685      6.718260      6.665990
  H      -5.296185      5.737407      6.284878
  H      -3.212443      6.617900      2.180019
  H      -8.617301     -5.954358      5.616802
  H      -7.742217     -6.295971      4.103306
  H      -8.985197     -5.019866      4.166415
  H      -9.552973     -3.859681      6.144363
  H     -10.053069     -1.927790      7.643042
  H      -6.272336      0.972457      8.928409
  H      -6.600855      1.296838      7.226391
  H      -5.414475     -2.719082      6.094812
  N      -5.686196      3.066646      5.502358
  H      -6.611683      3.183424      5.044280
88
Coordinates from ORCA-job orca E -6506.757004390853
  N      -3.112132      1.822892      4.937396
  Mo     -4.168573      2.804982      6.268124
  N      -4.648585      1.728379      7.833264
  C      -3.705332      1.554047      8.943118
  C      -2.312146      1.398496      8.373514
  N      -2.102313      2.473937      7.369139
  C      -1.139209      2.082847      6.306333
  C      -1.839596      1.193626      5.305166
  C      -1.733142      3.757264      8.008451
  C      -2.193421      4.890690      7.117951
  N      -3.568913      4.629462      6.706375
  H      -1.200875      1.079417      4.403076
  H      -2.011895      0.174514      5.713454
  H      -0.806874      3.003167      5.793162
  H      -0.254470      1.588596      6.742673
  H      -2.142647      5.844156      7.671204
  H      -1.539064      5.003546      6.231070
  H      -2.258447      3.813802      8.973159
  H      -0.650155      3.801315      8.201657
  H      -3.967863      0.663108      9.525612
  H      -3.767467      2.420219      9.619223
  H      -2.260374      0.432221      7.861041
  H      -1.533249      1.434614      9.148235
  C      -1.477163     -3.960186      0.038748
  C      -1.649917     -2.783061      0.951059
  O      -0.726661     -2.095600      1.245739
  C      -3.025972     -2.480673      1.499576
  C      -4.156445     -3.260618      1.212603
  C      -5.406655     -2.948351      1.762456
  C      -5.514327     -1.867046      2.602887
  F      -6.707936     -1.580867      3.090455
  C      -4.423103     -1.043802      2.917659
  C      -4.543836      0.072859      3.892128
  O      -5.336544      0.042628      4.820550
  C      -3.654258      1.327345      3.692936
  C      -3.183194     -1.375294      2.336052
  C      -3.842407      9.908535     -0.290760
  C      -3.524488      8.664661      0.511847
  O      -2.850505      7.778600      0.040113
  C      -4.076140      8.556359      1.899218
  C      -4.858493      9.564273      2.490719
  C      -5.358104      9.416276      3.773714
  C      -5.064744      8.257541      4.463815
  F      -5.577138      8.139715      5.701913
  C      -4.287500      7.222512      3.919791
  C      -3.935199      5.948242      4.611131
  O      -3.432791      5.018946      3.992139
  C      -4.213803      5.803806      6.123322
  C      -3.807082      7.403641      2.620162
  C      -8.215589     -5.558274      4.725533
  C      -7.142051     -4.558337      5.094531
  O      -6.024702     -4.645398      4.638246
  C      -7.491260     -3.437291      6.039794
  C      -8.812860     -3.207344      6.503829
  C      -9.098465     -2.120106      7.332148
  C      -8.059530     -1.264023      7.688182
  F      -8.363722     -0.212310      8.474459
  C      -6.725248     -1.464664      7.276309
  C      -5.561018     -0.572691      7.590772
  O      -4.395511     -1.011151      7.541590
  C      -5.838914      0.903413      7.916796
  C      -6.471092     -2.571766      6.449660
  H      -0.422558     -4.027141     -0.266667
  H      -1.771666     -4.893693      0.550387
  H      -2.124802     -3.857085     -0.854322
  H      -4.066386     -4.123244      0.557015
  H      -6.285180     -3.543180      1.543595
  H      -4.324244      2.095120      3.241503
  H      -2.831363      1.154265      2.966081
  H      -2.288009     -0.796702      2.554844
  H      -3.457182     10.830250      0.221987
  H      -4.932836     10.027273     -0.398564
  H      -3.386262      9.823001     -1.291177
  H      -5.087939     10.475114      1.949408
  H      -5.974028     10.181948      4.247314
  H      -3.885995      6.723010      6.645406
  H      -5.312009      5.750548      6.255300
  H      -3.204067      6.617042      2.162825
  H      -8.659618     -6.017188      5.632861
  H      -7.782417     -6.345168      4.079831
  H      -9.033251     -5.052942      4.180768
  H      -9.625903     -3.872490      6.208917
  H     -10.111276     -1.926517      7.700765
  H      -6.266492      0.946438      8.929168
  H      -6.607574      1.272326      7.233116
  H      -5.445085     -2.744297      6.091506
  N      -5.699432      3.061985      5.484165
  H      -6.605678      3.168013      5.041490
88
Coordinates from ORCA-job orca E -6506.756938036687
  N      -3.128809      1.823214      4.950009
  Mo     -4.170619      2.814795      6.284435
  N      -4.657305      1.728038      7.840140
  C      -3.710392      1.543090      8.952459
  C      -2.314130      1.387161      8.376749
  N      -2.101051      2.465167      7.379939
  C      -1.149168      2.066714      6.330435
  C      -1.868625      1.185436      5.327996
  C      -1.719467      3.743562      8.025759
  C      -2.176972      4.885467      7.142573
  N      -3.560751      4.635884      6.728461
  H      -1.235307      1.064291      4.444681
  H      -2.055326      0.178497      5.729968
  H      -0.806713      2.974486      5.830972
  H      -0.278883      1.568537      6.767419
  H      -2.123461      5.834044      7.703742
  H      -1.524607      4.994282      6.255770
  H      -2.242487      3.801200      8.987852
  H      -0.636871      3.775782      8.222048
  H      -3.967381      0.637963      9.530296
  H      -3.777231      2.405396      9.644758
  H      -2.264464      0.420469      7.857807
  H      -1.526836      1.418393      9.154940
  C      -1.496184     -3.937579      0.049370
  C      -1.686744     -2.760831      0.974572
  O      -0.727361     -2.033396      1.318223
  C      -3.057473     -2.468108      1.487854
  C      -4.172815     -3.250255      1.182262
  C      -5.420039     -2.935456      1.717697
  C      -5.545151     -1.841371      2.570576
  F      -6.782404     -1.551268      3.080196
  C      -4.446214     -1.021472      2.888271
  C      -4.564901      0.090399      3.867969
  O      -5.384926      0.060409      4.819460
  C      -3.668892      1.327973      3.691523
  C      -3.217621     -1.357220      2.321544
  C      -3.824439      9.874094     -0.341552
  C      -3.530592      8.632198      0.486368
  O      -2.857781      7.735390      0.046450
  C      -4.088569      8.534206      1.877608
  C      -4.867254      9.557471      2.446113
  C      -5.360666      9.425513      3.738420
  C      -5.067456      8.269761      4.463500
  F      -5.579327      8.176736      5.720019
  C      -4.292920      7.215860      3.940642
  C      -3.939145      5.947833      4.654735
  O      -3.435902      4.992475      4.016019
  C      -4.201569      5.804530      6.158426
  C      -3.820132      7.381778      2.631845
  C      -8.172834     -5.522756      4.722717
  C      -7.109483     -4.522563      5.083575
  O      -5.972871     -4.595671      4.600552
  C      -7.461702     -3.424183      6.025826
  C      -8.769092     -3.218512      6.495928
  C      -9.055534     -2.153765      7.329805
  C      -8.027509     -1.290689      7.684313
  F      -8.341013     -0.258413      8.505784
  C      -6.703850     -1.467923      7.258844
  C      -5.555474     -0.565890      7.581282
  O      -4.389087     -0.987108      7.526530
  C      -5.850579      0.904097      7.925684
  C      -6.449019     -2.556208      6.430137
  H      -0.445064     -4.015823     -0.242394
  H      -1.804231     -4.865288      0.547356
  H      -2.119230     -3.816348     -0.857327
  H      -4.079793     -4.117126      0.527673
  H      -6.304987     -3.530158      1.500589
  H      -4.313350      2.082960      3.240914
  H      -2.866727      1.139657      2.976362
  H      -2.327004     -0.781254      2.546593
  H      -3.456973     10.769959      0.162826
  H      -4.900798     10.015289     -0.470852
  H      -3.346355      9.779235     -1.331233
  H      -5.094498     10.467223      1.880331
  H      -5.971846     10.203089      4.197183
  H      -3.873197      6.702540      6.677267
  H      -5.284446      5.752303      6.284166
  H      -3.220007      6.586246      2.192797
  H      -8.602620     -5.983741      5.607311
  H      -7.738726     -6.287587      4.092140
  H      -8.993618     -5.037476      4.193345
  H      -9.578545     -3.886261      6.208209
  H     -10.062376     -1.977311      7.713189
  H      -6.277572      0.931766      8.951805
  H      -6.632333      1.282483      7.243991
  H      -5.435116     -2.709535      6.073931
  N      -5.698830      3.076690      5.498575
  H      -6.622743      3.188994      5.048698
88
Coordinates from ORCA-job orca E -6506.755955937985
  N      -3.121581      1.812631      4.925940
  Mo     -4.162330      2.804984      6.270761
  N      -4.640933      1.734296      7.842524
  C      -3.689694      1.561012      8.949323
  C      -2.296115      1.393671      8.366333
  N      -2.088829      2.463067      7.359835
  C      -1.130532      2.060306      6.292510
  C      -1.849800      1.173886      5.289519
  C      -1.704454      3.744952      8.001335
  C      -2.163141      4.884375      7.119958
  N      -3.548541      4.631586      6.714594
  H      -1.221775      1.053844      4.388768
  H      -2.024323      0.161220      5.697221
  H      -0.796616      2.972653      5.779065
  H      -0.242977      1.554664      6.727228
  H      -2.104375      5.831635      7.677811
  H      -1.516708      4.994289      6.233066
  H      -2.227560      3.806241      8.964412
  H      -0.616677      3.780446      8.194207
  H      -3.949509      0.672418      9.535748
  H      -3.739551      2.430261      9.629885
  H      -2.251654      0.425150      7.851235
  H      -1.506717      1.429239      9.140835
  C      -1.447671     -3.894307      0.071039
  C      -1.660072     -2.711424      0.999352
  O      -0.701029     -1.952391      1.342930
  C      -3.047274     -2.453878      1.510301
  C      -4.153735     -3.273556      1.196219
  C      -5.403514     -2.993324      1.713628
  C      -5.549407     -1.893963      2.569795
  F      -6.777538     -1.642967      3.057405
  C      -4.464506     -1.034056      2.902417
  C      -4.580661      0.078590      3.873202
  O      -5.363928      0.046387      4.797450
  C      -3.684209      1.321224      3.680767
  C      -3.227583     -1.339134      2.345051
  C      -3.829852      9.839779     -0.296313
  C      -3.530228      8.616365      0.495855
  O      -2.831400      7.684509      0.042079
  C      -4.103097      8.521163      1.889073
  C      -4.894440      9.532631      2.473622
  C      -5.397670      9.395231      3.773186
  C      -5.098068      8.244661      4.487204
  F      -5.617253      8.139906      5.743177
  C      -4.310519      7.205287      3.947184
  C      -3.945527      5.942227      4.642275
  O      -3.452931      5.041385      4.030544
  C      -4.198829      5.791838      6.147019
  C      -3.832173      7.376035      2.631954
  C      -8.234407     -5.520333      4.707661
  C      -7.154292     -4.530378      5.080492
  O      -6.021780     -4.625891      4.612890
  C      -7.490089     -3.409942      6.027699
  C      -8.792375     -3.170302      6.478111
  C      -9.067834     -2.085120      7.316055
  C      -8.029066     -1.238149      7.686504
  F      -8.326855     -0.180576      8.499801
  C      -6.709589     -1.447702      7.276160
  C      -5.555978     -0.558924      7.602261
  O      -4.425613     -0.988931      7.559183
  C      -5.837777      0.918229      7.929603
  C      -6.466036     -2.554921      6.446527
  H      -0.387181     -3.938855     -0.218261
  H      -1.742071     -4.843994      0.558245
  H      -2.067118     -3.802418     -0.826045
  H      -4.039874     -4.145897      0.540378
  H      -6.274805     -3.621912      1.483997
  H      -4.345308      2.078302      3.234659
  H      -2.881997      1.141660      2.959173
  H      -2.339552     -0.734441      2.576553
  H      -3.457821     10.725167      0.212922
  H      -4.918865      9.970769     -0.419716
  H      -3.349272      9.754373     -1.264689
  H      -5.125551     10.436735      1.918294
  H      -6.019971     10.163450      4.242063
  H      -3.862732      6.713176      6.669703
  H      -5.289331      5.725022      6.292734
  H      -3.220837      6.586906      2.182243
  H      -8.678364     -5.985032      5.618422
  H      -7.802786     -6.309153      4.054103
  H      -9.055071     -5.000553      4.166116
  H      -9.608755     -3.826953      6.172437
  H     -10.069601     -1.881213      7.679868
  H      -6.272116      0.961066      8.951284
  H      -6.608397      1.293466      7.238484
  H      -5.453108     -2.733962      6.100237
  N      -5.685667      3.064446      5.494452
  H      -6.577014      3.170226      5.052608
88
Coordinates from ORCA-job orca E -6506.757753634100
  N      -3.122793      1.817442      4.947293
  Mo     -4.165876      2.803463      6.276357
  N      -4.643850      1.731249      7.832552
  C      -3.702286      1.556868      8.941928
  C      -2.309957      1.399035      8.375239
  N      -2.095972      2.470079      7.375548
  C      -1.138693      2.075082      6.316214
  C      -1.852918      1.188294      5.319014
  C      -1.720948      3.752483      8.014339
  C      -2.180481      4.889633      7.128793
  N      -3.560465      4.628201      6.713627
  H      -1.221435      1.068700      4.420274
  H      -2.030887      0.174630      5.728147
  H      -0.803094      2.990626      5.808416
  H      -0.255596      1.577542      6.750903
  H      -2.131336      5.841598      7.685768
  H      -1.530223      5.000973      6.241695
  H      -2.246257      3.806164      8.978322
  H      -0.635894      3.791808      8.207719
  H      -3.965421      0.664597      9.518489
  H      -3.762923      2.422120      9.622671
  H      -2.261926      0.432096      7.867531
  H      -1.534545      1.438843      9.148936
  C      -1.479855     -3.969239      0.055521
  C      -1.646734     -2.798478      0.964812
  O      -0.713356     -2.114361      1.273230
  C      -3.018046     -2.492402      1.496783
  C      -4.142492     -3.275575      1.194787
  C      -5.399831     -2.962693      1.735207
  C      -5.522606     -1.874573      2.585938
  F      -6.733242     -1.593112      3.072577
  C      -4.433712     -1.047719      2.916375
  C      -4.556991      0.068802      3.896914
  O      -5.340009      0.038959      4.812278
  C      -3.663317      1.320340      3.700721
  C      -3.185314     -1.381715      2.338644
  C      -3.865872      9.909246     -0.311122
  C      -3.555193      8.667420      0.496176
  O      -2.865618      7.742646      0.030298
  C      -4.099293      8.562290      1.894580
  C      -4.873362      9.566600      2.489849
  C      -5.353743      9.411520      3.784292
  C      -5.049709      8.250881      4.477343
  F      -5.539822      8.122962      5.723926
  C      -4.281813      7.220397      3.927969
  C      -3.924058      5.944222      4.620223
  O      -3.427980      5.009494      4.002189
  C      -4.202377      5.804389      6.135149
  C      -3.820406      7.407389      2.621152
  C      -8.221161     -5.526688      4.717515
  C      -7.135243     -4.534213      5.079865
  O      -6.002993     -4.622652      4.613216
  C      -7.478944     -3.418241      6.020573
  C      -8.789268     -3.198722      6.483249
  C      -9.073297     -2.120901      7.317983
  C      -8.041424     -1.260254      7.677982
  F      -8.345809     -0.216970      8.481743
  C      -6.716950     -1.449404      7.263238
  C      -5.564790     -0.554547      7.584535
  O      -4.444595     -0.970246      7.541088
  C      -5.835601      0.915313      7.914307
  C      -6.463489     -2.550264      6.433357
  H      -0.440370     -4.043966     -0.231217
  H      -1.781792     -4.884312      0.556167
  H      -2.108252     -3.870850     -0.839202
  H      -4.046405     -4.139926      0.537062
  H      -6.276684     -3.558988      1.508715
  H      -4.329306      2.091467      3.245430
  H      -2.840572      1.136055      2.974376
  H      -2.292362     -0.801908      2.567807
  H      -3.474038     10.819862      0.202549
  H      -4.956781     10.035823     -0.427472
  H      -3.412530      9.824272     -1.301852
  H      -5.111112     10.479889      1.944369
  H      -5.961692     10.172129      4.262581
  H      -3.872614      6.726423      6.656681
  H      -5.300735      5.753657      6.265608
  H      -3.223362      6.622579      2.161858
  H      -8.667335     -5.975782      5.615774
  H      -7.798724     -6.308709      4.087101
  H      -9.034934     -5.029288      4.172271
  H      -9.601019     -3.867101      6.188308
  H     -10.079621     -1.935325      7.690831
  H      -6.261586      0.958190      8.921458
  H      -6.597178      1.285695      7.235511
  H      -5.443433     -2.714366      6.077571
  N      -5.701598      3.049285      5.503977
  H      -6.646239      3.156254      5.051241
88
Coordinates from ORCA-job orca E -6506.757415729578
  N      -3.114798      1.821042      4.936310
  Mo     -4.174184      2.816296      6.268258
  N      -4.661885      1.726860      7.833857
  C      -3.718353      1.545169      8.949850
  C      -2.317749      1.391311      8.376087
  N      -2.107954      2.472969      7.368975
  C      -1.144641      2.072269      6.313115
  C      -1.851519      1.184497      5.311700
  C      -1.735014      3.756568      8.013016
  C      -2.192796      4.897623      7.123182
  N      -3.570637      4.639698      6.710835
  H      -1.212278      1.062381      4.418946
  H      -2.032757      0.170606      5.721368
  H      -0.805191      2.988498      5.800501
  H      -0.269089      1.573711      6.753521
  H      -2.143915      5.850581      7.683109
  H      -1.536905      5.011689      6.232993
  H      -2.263458      3.815596      8.975652
  H      -0.654659      3.795012      8.212274
  H      -3.974328      0.640564      9.534654
  H      -3.791689      2.409791      9.637084
  H      -2.261369      0.422482      7.856584
  H      -1.535001      1.421853      9.157108
  C      -1.533285     -3.957505      0.058917
  C      -1.716631     -2.774307      0.990987
  O      -0.781243     -2.074893      1.312470
  C      -3.083639     -2.469810      1.518468
  C      -4.216075     -3.239539      1.231601
  C      -5.455087     -2.916420      1.768543
  C      -5.551050     -1.833960      2.597095
  F      -6.764999     -1.538226      3.102475
  C      -4.446421     -1.022771      2.901504
  C      -4.558622      0.090830      3.871092
  O      -5.362894      0.068801      4.800017
  C      -3.661042      1.326464      3.690366
  C      -3.219398     -1.366376      2.333472
  C      -3.792080      9.919699     -0.313898
  C      -3.499767      8.666799      0.504001
  O      -2.824760      7.777832      0.055392
  C      -4.071848      8.558847      1.886355
  C      -4.858068      9.576112      2.455557
  C      -5.366882      9.432340      3.737580
  C      -5.079698      8.269291      4.454981
  F      -5.606242      8.163383      5.699039
  C      -4.298624      7.222685      3.933525
  C      -3.948253      5.948586      4.640044
  O      -3.439735      5.000345      4.017019
  C      -4.216476      5.803034      6.139123
  C      -3.811487      7.399982      2.632495
  C      -8.136682     -5.562145      4.731771
  C      -7.073619     -4.560539      5.091580
  O      -5.944503     -4.634239      4.628136
  C      -7.439951     -3.452599      6.025676
  C      -8.762786     -3.239890      6.482599
  C      -9.061926     -2.163966      7.305994
  C      -8.035172     -1.299913      7.664258
  F      -8.359032     -0.259222      8.461683
  C      -6.698177     -1.482485      7.254455
  C      -5.547430     -0.579106      7.577204
  O      -4.366038     -1.006978      7.527061
  C      -5.851062      0.896399      7.917471
  C      -6.430468     -2.580643      6.433281
  H      -0.470078     -4.032827     -0.248175
  H      -1.845816     -4.906436      0.563551
  H      -2.166446     -3.832253     -0.844366
  H      -4.142442     -4.101867      0.591612
  H      -6.347633     -3.502143      1.562954
  H      -4.310591      2.076116      3.240253
  H      -2.858509      1.146626      2.979980
  H      -2.319539     -0.798343      2.547692
  H      -3.421722     10.823642      0.199475
  H      -4.873642     10.060051     -0.445060
  H      -3.306336      9.832076     -1.302887
  H      -5.081195     10.490918      1.897697
  H      -5.985608     10.205953      4.195555
  H      -3.888512      6.702212      6.661881
  H      -5.301996      5.749248      6.265505
  H      -3.204962      6.607540      2.193040
  H      -8.572969     -6.017330      5.626167
  H      -7.695883     -6.333032      4.106203
  H      -8.961596     -5.075644      4.189406
  H      -9.568556     -3.909688      6.188921
  H     -10.078792     -1.982828      7.674643
  H      -6.282485      0.923923      8.944178
  H      -6.631705      1.272558      7.231616
  H      -5.404602     -2.739583      6.083707
  N      -5.689330      3.084674      5.473924
  H      -6.590106      3.195959      5.025902
88
Coordinates from ORCA-job orca E -6506.757887048830
  N      -3.137344      1.825442      4.933029
  Mo     -4.165986      2.808836      6.283966
  N      -4.642371      1.737855      7.847150
  C      -3.688525      1.560290      8.948694
  C      -2.300255      1.388660      8.363978
  N      -2.089262      2.456280      7.366834
  C      -1.143008      2.059573      6.303299
  C      -1.870369      1.185987      5.297194
  C      -1.695710      3.730267      8.011723
  C      -2.151797      4.871997      7.136405
  N      -3.540967      4.629530      6.730600
  H      -1.247371      1.070830      4.404819
  H      -2.050042      0.178130      5.693853
  H      -0.807053      2.967585      5.803241
  H      -0.261651      1.553782      6.731752
  H      -2.087872      5.815536      7.694133
  H      -1.508028      4.976183      6.252573
  H      -2.212986      3.789708      8.972772
  H      -0.608489      3.757279      8.201612
  H      -3.950968      0.671596      9.529980
  H      -3.731267      2.425991      9.632797
  H      -2.263520      0.423827      7.848945
  H      -1.508877      1.422069      9.134364
  C      -1.428488     -3.913529      0.078399
  C      -1.640922     -2.728566      0.992181
  O      -0.690986     -1.978380      1.338967
  C      -3.023336     -2.461685      1.490650
  C      -4.121395     -3.279494      1.169213
  C      -5.380375     -2.990538      1.692758
  C      -5.539303     -1.885542      2.557589
  F      -6.779690     -1.624368      3.045844
  C      -4.457284     -1.029520      2.891721
  C      -4.584663      0.087609      3.868268
  O      -5.394404      0.048019      4.819269
  C      -3.689141      1.338207      3.673687
  C      -3.218082     -1.340574      2.333526
  C      -3.874628      9.819780     -0.303416
  C      -3.569937      8.591570      0.488061
  O      -2.906044      7.689263      0.028573
  C      -4.112176      8.499607      1.883631
  C      -4.884116      9.522432      2.470689
  C      -5.365970      9.398706      3.771270
  C      -5.064388      8.249807      4.484445
  F      -5.564440      8.159155      5.746490
  C      -4.293353      7.197175      3.942401
  C      -3.931397      5.935343      4.647549
  O      -3.436405      5.002924      4.023044
  C      -4.184904      5.797258      6.160557
  C      -3.835641      7.354841      2.624759
  C      -8.226942     -5.492006      4.684195
  C      -7.158392     -4.501659      5.071374
  O      -6.026446     -4.594544      4.596793
  C      -7.497646     -3.392221      6.029482
  C      -8.796524     -3.162850      6.484386
  C      -9.073620     -2.086432      7.328362
  C      -8.041389     -1.236682      7.700969
  F      -8.342184     -0.188092      8.523532
  C      -6.723929     -1.438066      7.285522
  C      -5.569261     -0.547465      7.611290
  O      -4.410597     -0.988371      7.563621
  C      -5.842555      0.928333      7.937777
  C      -6.480733     -2.537411      6.451824
  H      -0.376690     -3.967800     -0.193329
  H      -1.729239     -4.842194      0.564658
  H      -2.038924     -3.829883     -0.823472
  H      -3.999274     -4.156201      0.506888
  H      -6.249132     -3.617489      1.459654
  H      -4.352200      2.106223      3.223783
  H      -2.874493      1.154846      2.945493
  H      -2.335768     -0.737052      2.568397
  H      -3.488154     10.707912      0.200152
  H      -4.962211      9.956024     -0.409792
  H      -3.412461      9.728697     -1.285451
  H      -5.115781     10.425119      1.913646
  H      -5.973060     10.175138      4.243325
  H      -3.845175      6.720254      6.676137
  H      -5.276059      5.737159      6.307222
  H      -3.238557      6.559376      2.171468
  H      -8.667772     -5.964959      5.577727
  H      -7.795465     -6.271558      4.025559
  H      -9.038054     -4.973456      4.150107
  H      -9.606701     -3.820370      6.176803
  H     -10.073085     -1.890468      7.697716
  H      -6.268726      0.976495      8.958414
  H      -6.614249      1.302074      7.251448
  H      -5.472433     -2.708461      6.102754
  N      -5.698817      3.064016      5.519208
  H      -6.614478      3.169780      5.070259
88
Coordinates from ORCA-job orca E -6506.755383607913
  N      -3.120163      1.803083      4.944650
  Mo     -4.165224      2.798694      6.274341
  N      -4.642590      1.720124      7.833864
  C      -3.702421      1.544393      8.943260
  C      -2.310005      1.390168      8.377752
  N      -2.099135      2.464564      7.373999
  C      -1.139143      2.065116      6.312591
  C      -1.847715      1.169977      5.316724
  C      -1.729997      3.753243      8.010808
  C      -2.190423      4.892411      7.124693
  N      -3.567471      4.626796      6.711459
  H      -1.213625      1.046773      4.412402
  H      -2.022650      0.151889      5.735932
  H      -0.805824      2.983848      5.796858
  H      -0.257061      1.564565      6.751323
  H      -2.143669      5.846861      7.684374
  H      -1.539958      5.009124      6.233989
  H      -2.257399      3.807173      8.976716
  H      -0.645441      3.797885      8.203753
  H      -3.963522      0.650891      9.522112
  H      -3.766785      2.411605      9.621873
  H      -2.256564      0.419740      7.868336
  H      -1.536235      1.429858      9.153363
  C      -1.461803     -3.936282      0.032316
  C      -1.643694     -2.765025      0.951873
  O      -0.675418     -2.035653      1.263702
  C      -3.033390     -2.484847      1.498150
  C      -4.156950     -3.279213      1.202862
  C      -5.406254     -2.983174      1.736074
  C      -5.532696     -1.891329      2.587671
  F      -6.737067     -1.622769      3.073678
  C      -4.444375     -1.055712      2.916144
  C      -4.561710      0.056085      3.894577
  O      -5.342249      0.029826      4.813254
  C      -3.670372      1.301979      3.702770
  C      -3.201453     -1.376758      2.339609
  C      -3.826943      9.914150     -0.323025
  C      -3.523556      8.680448      0.493536
  O      -2.811686      7.732686      0.041182
  C      -4.091799      8.574989      1.891823
  C      -4.880666      9.575675      2.478500
  C      -5.378949      9.416157      3.775229
  C      -5.079707      8.256830      4.478806
  F      -5.590105      8.127731      5.725709
  C      -4.298746      7.229235      3.936577
  C      -3.939431      5.952480      4.624552
  O      -3.444802      5.046865      4.009017
  C      -4.213987      5.800449      6.134650
  C      -3.819860      7.421348      2.628133
  C      -8.239275     -5.520012      4.749370
  C      -7.144384     -4.534452      5.093261
  O      -6.009068     -4.624870      4.622971
  C      -7.479465     -3.418659      6.027005
  C      -8.789240     -3.191505      6.498593
  C      -9.064456     -2.115686      7.326830
  C      -8.023691     -1.263436      7.675573
  F      -8.320952     -0.217874      8.476609
  C      -6.701745     -1.459017      7.254763
  C      -5.551388     -0.567622      7.574846
  O      -4.444319     -0.978356      7.527830
  C      -5.830623      0.900779      7.911881
  C      -6.453904     -2.557585      6.427296
  H      -0.407025     -3.997457     -0.276073
  H      -1.747281     -4.874178      0.545644
  H      -2.106577     -3.829222     -0.862109
  H      -4.058775     -4.141861      0.547043
  H      -6.279971     -3.587912      1.510952
  H      -4.330086      2.061498      3.256936
  H      -2.864433      1.118352      2.979486
  H      -2.308462     -0.790218      2.564893
  H      -3.451055     10.819555      0.188976
  H      -4.911849     10.033189     -0.451431
  H      -3.358532      9.829937     -1.305524
  H      -5.115449     10.488658      1.926913
  H      -5.998453     10.174749      4.245570
  H      -3.887892      6.715707      6.660476
  H      -5.307740      5.745323      6.264410
  H      -3.213070      6.639103      2.176784
  H      -8.678107     -5.961247      5.658422
  H      -7.818181     -6.304500      4.119569
  H      -9.065491     -5.022536      4.207968
  H      -9.609922     -3.853682      6.213573
  H     -10.071349     -1.922757      7.706318
  H      -6.261197      0.937455      8.921406
  H      -6.593363      1.274718      7.229880
  H      -5.433998     -2.727471      6.066680
  N      -5.698918      3.058062      5.495508
  H      -6.621987      3.162561      5.060096
88
Coordinates from ORCA-job orca E -6506.757129410848
  N      -3.109385      1.835056      4.936387
  Mo     -4.163264      2.819821      6.266549
  N      -4.646639      1.735875      7.833454
  C      -3.696065      1.558862      8.948979
  C      -2.294418      1.403570      8.366478
  N      -2.088370      2.482713      7.360966
  C      -1.126129      2.087005      6.304138
  C      -1.843244      1.202943      5.304572
  C      -1.709151      3.760958      8.006056
  C      -2.171268      4.898448      7.118164
  N      -3.555280      4.642678      6.708329
  H      -1.207678      1.080763      4.412100
  H      -2.024618      0.194098      5.708690
  H      -0.786113      2.998597      5.796089
  H      -0.243981      1.593115      6.738323
  H      -2.118688      5.845619      7.676784
  H      -1.517706      5.010921      6.229505
  H      -2.234732      3.819626      8.971446
  H      -0.624289      3.797898      8.203544
  H      -3.950164      0.656516      9.534636
  H      -3.763872      2.422274      9.639399
  H      -2.243007      0.438899      7.846358
  H      -1.504631      1.434263      9.145586
  C      -1.536485     -3.981241      0.120543
  C      -1.713286     -2.795801      1.041619
  O      -0.800265     -2.121684      1.374458
  C      -3.070245     -2.473581      1.540828
  C      -4.196073     -3.242572      1.234230
  C      -5.444360     -2.911791      1.763679
  C      -5.549754     -1.825049      2.597870
  F      -6.775535     -1.528257      3.095738
  C      -4.446103     -1.010089      2.913021
  C      -4.558078      0.108581      3.879142
  O      -5.340039      0.089661      4.780296
  C      -3.658152      1.344415      3.696335
  C      -3.213669     -1.360819      2.357254
  C      -3.843183      9.885941     -0.307581
  C      -3.552371      8.633500      0.496692
  O      -2.883689      7.716553      0.028744
  C      -4.102343      8.543765      1.890095
  C      -4.865131      9.570080      2.480306
  C      -5.350105      9.437765      3.776034
  C      -5.059783      8.275369      4.481795
  F      -5.556978      8.177730      5.735800
  C      -4.300140      7.222748      3.938799
  C      -3.946338      5.953213      4.638436
  O      -3.456348      5.014419      4.015411
  C      -4.201672      5.805672      6.140987
  C      -3.838774      7.388433      2.626731
  C      -8.163715     -5.578806      4.666435
  C      -7.092453     -4.574132      5.057092
  O      -5.960309     -4.653255      4.606358
  C      -7.453694     -3.454346      6.000631
  C      -8.773988     -3.234116      6.440968
  C      -9.069753     -2.147605      7.274347
  C      -8.039043     -1.281188      7.653466
  F      -8.355002     -0.231699      8.455901
  C      -6.703663     -1.470614      7.256415
  C      -5.550655     -0.569661      7.587985
  O      -4.401977     -0.988814      7.547179
  C      -5.841632      0.905256      7.921213
  C      -6.440549     -2.579481      6.429930
  H      -0.492556     -4.063868     -0.147745
  H      -1.870634     -4.901337      0.596863
  H      -2.136036     -3.880371     -0.785618
  H      -4.115125     -4.111211      0.590351
  H      -6.334942     -3.497845      1.548234
  H      -4.309710      2.100969      3.247489
  H      -2.852949      1.164448      2.982890
  H      -2.318876     -0.791281      2.585578
  H      -3.451601     10.778040      0.199701
  H      -4.930804     10.042752     -0.424339
  H      -3.374737      9.793399     -1.293843
  H      -5.088845     10.483760      1.930630
  H      -5.949700     10.218616      4.251760
  H      -3.867768      6.708589      6.663339
  H      -5.288940      5.749288      6.275546
  H      -3.247551      6.588151      2.171715
  H      -8.624572     -6.043259      5.553218
  H      -7.728739     -6.356611      4.036071
  H      -8.964778     -5.081155      4.113194
  H      -9.582342     -3.906134      6.129927
  H     -10.083120     -1.962619      7.628945
  H      -6.271934      0.934991      8.945448
  H      -6.622029      1.278698      7.237835
  H      -5.415225     -2.743081      6.091856
  N      -5.690035      3.072545      5.477305
  H      -6.600791      3.177994      5.013674
88
Coordinates from ORCA-job orca E -6506.763944260742
  N      -3.121348      1.821176      4.933845
  Mo     -4.163662      2.811058      6.271215
  N      -4.642585      1.732643      7.836308
  C      -3.693211      1.554038      8.943837
  C      -2.299906      1.392933      8.363917
  N      -2.090941      2.467543      7.361389
  C      -1.135330      2.068502      6.300780
  C      -1.854241      1.184210      5.301513
  C      -1.708798      3.747750      8.003893
  C      -2.167446      4.887815      7.120260
  N      -3.550967      4.634280      6.712364
  H      -1.223232      1.061604      4.405220
  H      -2.034789      0.172516      5.709821
  H      -0.797528      2.981087      5.791086
  H      -0.253538      1.568526      6.734650
  H      -2.112275      5.837067      7.679315
  H      -1.518280      4.998247      6.231865
  H      -2.232030      3.806614      8.967752
  H      -0.624079      3.782556      8.197942
  H      -3.951313      0.658600      9.526132
  H      -3.751289      2.418606      9.629083
  H      -2.254309      0.426356      7.847786
  H      -1.514083      1.425067      9.137563
  C      -1.485882     -3.986288      0.116727
  C      -1.671449     -2.800312      1.033060
  O      -0.721635     -2.096088      1.371032
  C      -3.051798     -2.493466      1.534368
  C      -4.173212     -3.276815      1.221464
  C      -5.426672     -2.958328      1.739791
  C      -5.551643     -1.861857      2.582324
  F      -6.777331     -1.574674      3.065143
  C      -4.456479     -1.034729      2.911078
  C      -4.576290      0.086144      3.880601
  O      -5.376975      0.065336      4.803161
  C      -3.674172      1.326715      3.687876
  C      -3.216689     -1.375143      2.359503
  C      -3.868489      9.895648     -0.303949
  C      -3.569368      8.650355      0.494191
  O      -2.900311      7.733383      0.025905
  C      -4.111971      8.551171      1.892741
  C      -4.876465      9.570353      2.488584
  C      -5.355422      9.430523      3.787965
  C      -5.058851      8.269132      4.490403
  F      -5.551852      8.162337      5.748239
  C      -4.298248      7.221962      3.940873
  C      -3.940633      5.949936      4.635725
  O      -3.450760      5.018782      4.010001
  C      -4.198000      5.802531      6.143888
  C      -3.841323      7.395368      2.625984
  C      -8.184417     -5.522560      4.682717
  C      -7.108435     -4.531509      5.062229
  O      -5.973455     -4.619212      4.603998
  C      -7.461073     -3.417685      6.003846
  C      -8.774534     -3.192282      6.450509
  C      -9.063497     -2.112799      7.281880
  C      -8.032039     -1.257974      7.653916
  F      -8.343666     -0.209815      8.458217
  C      -6.703265     -1.453371      7.251222
  C      -5.551442     -0.559645      7.581682
  O      -4.405560     -0.984680      7.533979
  C      -5.835574      0.911667      7.922380
  C      -6.446109     -2.554866      6.425185
  H      -0.429587     -4.065764     -0.157180
  H      -1.811960     -4.914981      0.607810
  H      -2.095303     -3.881413     -0.793584
  H      -4.077757     -4.148055      0.572797
  H      -6.309083     -3.556030      1.512487
  H      -4.329832      2.088645      3.236413
  H      -2.865655      1.139872      2.966724
  H      -2.323777     -0.794913      2.593209
  H      -3.476304     10.789485      0.205378
  H      -4.954452     10.040615     -0.413228
  H      -3.407436      9.807543     -1.292675
  H      -5.106136     10.483973      1.940192
  H      -5.955729     10.204215      4.266882
  H      -3.863625      6.714726      6.666002
  H      -5.288665      5.745518      6.282351
  H      -3.250835      6.601402      2.166872
  H      -8.637485     -5.980456      5.575115
  H      -7.751891     -6.303428      4.048206
  H      -8.993126     -5.015942      4.132935
  H      -9.583971     -3.855825      6.144876
  H     -10.073919     -1.921190      7.642854
  H      -6.261395      0.943959      8.942630
  H      -6.609916      1.288416      7.242716
  H      -5.425134     -2.723000      6.082135
  N      -5.693264      3.067010      5.492920
  H      -6.605958      3.172063      5.040932
88
Coordinates from ORCA-job orca E -6506.764016101361
  N      -3.128383      1.823491      4.919038
  Mo     -4.164882      2.806782      6.266598
  N      -4.634148      1.720825      7.828879
  C      -3.679530      1.538114      8.930222
  C      -2.289570      1.381204      8.343751
  N      -2.086971      2.460346      7.345038
  C      -1.136656      2.067269      6.277376
  C      -1.858753      1.186070      5.277884
  C      -1.704257      3.738646      7.991358
  C      -2.168284      4.882593      7.115603
  N      -3.552651      4.628879      6.711976
  H      -1.232602      1.068526      4.377652
  H      -2.035631      0.172190      5.682916
  H      -0.803438      2.982896      5.769890
  H      -0.252499      1.565853      6.704794
  H      -2.112134      5.829468      7.678953
  H      -1.523353      4.998411      6.224863
  H      -2.223243      3.791778      8.957679
  H      -0.618805      3.774311      8.180287
  H      -3.934459      0.640323      9.510003
  H      -3.734663      2.400401      9.618568
  H      -2.245015      0.416439      7.823993
  H      -1.500592      1.412011      9.113548
  C      -1.434048     -3.974357      0.148399
  C      -1.639026     -2.780329      1.047445
  O      -0.701196     -2.058692      1.376962
  C      -3.024713     -2.485383      1.541282
  C      -4.136755     -3.283346      1.231315
  C      -5.396099     -2.972704      1.738932
  C      -5.536482     -1.869615      2.569145
  F      -6.765605     -1.589968      3.041659
  C      -4.451476     -1.030057      2.897733
  C      -4.587096      0.095720      3.858499
  O      -5.393840      0.074659      4.776136
  C      -3.684569      1.336168      3.671154
  C      -3.204750     -1.362832      2.355719
  C      -3.867269      9.898299     -0.298395
  C      -3.565878      8.655441      0.502167
  O      -2.895861      7.740050      0.036333
  C      -4.111607      8.554207      1.899162
  C      -4.880301      9.571094      2.492174
  C      -5.363177      9.428952      3.789559
  C      -5.066756      8.267871      4.492899
  F      -5.566070      8.158502      5.747695
  C      -4.302135      7.222644      3.946025
  C      -3.945132      5.948575      4.639304
  O      -3.448475      5.020810      4.013578
  C      -4.201377      5.798875      6.147931
  C      -3.841083      7.398446      2.633055
  C      -8.241530     -5.510241      4.696694
  C      -7.157869     -4.523026      5.058984
  O      -6.030910     -4.611179      4.580640
  C      -7.492223     -3.414311      6.011282
  C      -8.797966     -3.187638      6.480832
  C      -9.071287     -2.111357      7.319689
  C      -8.032133     -1.260814      7.677079
  F      -8.329162     -0.214908      8.488370
  C      -6.710193     -1.458451      7.253294
  C      -5.551488     -0.568262      7.568797
  O      -4.407762     -0.995498      7.504179
  C      -5.828034      0.902509      7.919346
  C      -6.468560     -2.556690      6.419399
  H      -0.375545     -4.043015     -0.123209
  H      -1.746852     -4.901193      0.653765
  H      -2.043875     -3.887920     -0.764264
  H      -4.028759     -4.159341      0.591636
  H      -6.270794     -3.581800      1.512920
  H      -4.340209      2.101053      3.224767
  H      -2.877740      1.151311      2.947786
  H      -2.318314     -0.772161      2.588925
  H      -3.478720     10.793938      0.210760
  H      -4.953372     10.038625     -0.409948
  H      -3.404831      9.810739     -1.286770
  H      -5.110546     10.484137      1.942825
  H      -5.967673     10.200730      4.265947
  H      -3.867028      6.709863      6.671525
  H      -5.291724      5.741225      6.287877
  H      -3.247772      6.605789      2.175633
  H      -8.677156     -5.971133      5.595677
  H      -7.821103     -6.287882      4.050619
  H      -9.061104     -5.000869      4.165351
  H      -9.614186     -3.847157      6.186205
  H     -10.075449     -1.918217      7.697309
  H      -6.245584      0.931293      8.942839
  H      -6.606302      1.285023      7.247850
  H      -5.453936     -2.725833      6.058970
  N      -5.698758      3.064808      5.498297
  H      -6.614618      3.170483      5.053129
88
Coordinates from ORCA-job orca E -6506.763978286151
  N      -3.135357      1.826293      4.915551
  Mo     -4.160309      2.812885      6.270327
  N      -4.625943      1.723952      7.830554
  C      -3.667725      1.533892      8.926672
  C      -2.280724      1.375697      8.335067
  N      -2.079298      2.456661      7.338389
  C      -1.136080      2.064074      6.264239
  C      -1.865035      1.185644      5.267428
  C      -1.690373      3.732449      7.986175
  C      -2.153902      4.880450      7.115752
  N      -3.540111      4.631927      6.716235
  H      -1.244661      1.067549      4.363527
  H      -2.041604      0.171889      5.672931
  H      -0.804801      2.980289      5.756626
  H      -0.251321      1.559077      6.686119
  H      -2.092738      5.825590      7.681598
  H      -1.512168      4.996876      6.222829
  H      -2.205381      3.784117      8.954555
  H      -0.604056      3.764288      8.170352
  H      -3.923517      0.634592      9.503801
  H      -3.717404      2.394143      9.618133
  H      -2.239935      0.411750      7.813219
  H      -1.489012      1.403638      9.101871
  C      -1.441329     -4.014728      0.219146
  C      -1.651438     -2.805736      1.094230
  O      -0.717879     -2.075147      1.409983
  C      -3.037428     -2.507455      1.584236
  C      -4.149241     -3.309428      1.283114
  C      -5.409319     -2.992845      1.783912
  C      -5.551128     -1.879546      2.599494
  F      -6.779264     -1.592835      3.064522
  C      -4.466585     -1.037191      2.921014
  C      -4.603455      0.097325      3.870246
  O      -5.423072      0.091232      4.777332
  C      -3.701303      1.336358      3.672430
  C      -3.218402     -1.376485      2.384960
  C      -3.904313      9.896463     -0.300240
  C      -3.595132      8.655875      0.500328
  O      -2.926060      7.742929      0.033046
  C      -4.126951      8.556964      1.902899
  C      -4.892364      9.573744      2.499461
  C      -5.363450      9.433493      3.801120
  C      -5.059262      8.274685      4.504996
  F      -5.547836      8.167098      5.763942
  C      -4.297264      7.229739      3.954693
  C      -3.932203      5.956732      4.647096
  O      -3.446627      5.025506      4.017484
  C      -4.186276      5.805845      6.156421
  C      -3.847799      7.403551      2.637624
  C      -8.222427     -5.472676      4.626802
  C      -7.141011     -4.487842      4.997335
  O      -6.014985     -4.567078      4.514387
  C      -7.476317     -3.392343      5.962971
  C      -8.781848     -3.174782      6.438462
  C      -9.056716     -2.110462      7.290537
  C      -8.019278     -1.261919      7.655815
  F      -8.318633     -0.227293      8.479567
  C      -6.697444     -1.451230      7.227445
  C      -5.539860     -0.562879      7.552978
  O      -4.395135     -0.984107      7.472149
  C      -5.818306      0.904159      7.918419
  C      -6.454298     -2.537524      6.379157
  H      -0.382496     -4.085275     -0.052274
  H      -1.749005     -4.932647      0.744816
  H      -2.052512     -3.945721     -0.694332
  H      -4.039543     -4.193178      0.654878
  H      -6.282966     -3.605608      1.564577
  H      -4.358761      2.101044      3.228873
  H      -2.900377      1.147220      2.944308
  H      -2.331675     -0.784068      2.612424
  H      -3.514206     10.793539      0.205035
  H      -4.991496     10.032992     -0.404803
  H      -3.449215      9.808716     -1.292186
  H      -5.129251     10.484641      1.949292
  H      -5.965712     10.205340      4.280240
  H      -3.847571      6.714658      6.680379
  H      -5.276255      5.752180      6.299568
  H      -3.257056      6.610667      2.177315
  H      -8.651379     -5.947279      5.521513
  H      -7.801384     -6.238820      3.967731
  H      -9.047235     -4.959377      4.107392
  H      -9.597297     -3.832337      6.138147
  H     -10.060601     -1.924431      7.672560
  H      -6.232208      0.923930      8.943461
  H      -6.599135      1.291253      7.252509
  H      -5.440075     -2.699910      6.014905
  N      -5.696714      3.078817      5.511240
  H      -6.615147      3.188246      5.072702
88
Coordinates from ORCA-job orca E -6506.764004235990
  N      -3.138151      1.827106      4.898646
  Mo     -4.161387      2.813550      6.255098
  N      -4.632840      1.721658      7.810860
  C      -3.677422      1.525850      8.908232
  C      -2.289568      1.365174      8.319256
  N      -2.083225      2.447688      7.325550
  C      -1.140087      2.055329      6.251313
  C      -1.870175      1.181738      5.250961
  C      -1.691308      3.720616      7.977185
  C      -2.150127      4.872645      7.109768
  N      -3.536490      4.629362      6.707341
  H      -1.248928      1.064584      4.347628
  H      -2.050101      0.167434      5.653319
  H      -0.805970      2.972073      5.746766
  H      -0.257659      1.546129      6.672980
  H      -2.087030      5.815628      7.678835
  H      -1.506782      4.990092      6.218151
  H      -2.207478      3.770870      8.945013
  H      -0.605049      3.748596      8.162686
  H      -3.937507      0.625904      9.482623
  H      -3.725565      2.384685      9.601674
  H      -2.249908      0.402167      7.795549
  H      -1.499319      1.389844      9.087860
  C      -1.400067     -4.011518      0.234674
  C      -1.621738     -2.798980      1.101404
  O      -0.692466     -2.068332      1.428886
  C      -3.014169     -2.497902      1.570461
  C      -4.123463     -3.297030      1.252243
  C      -5.390066     -2.977505      1.733789
  C      -5.541835     -1.863631      2.547352
  F      -6.776025     -1.572382      2.991578
  C      -4.459886     -1.024457      2.886180
  C      -4.607599      0.109287      3.834300
  O      -5.444946      0.106885      4.725612
  C      -3.700920      1.347239      3.649725
  C      -3.204481     -1.366892      2.368752
  C      -3.906039      9.926670     -0.286122
  C      -3.597202      8.681156      0.506716
  O      -2.930805      7.769783      0.033412
  C      -4.123497      8.577163      1.911359
  C      -4.884425      9.593029      2.515320
  C      -5.350529      9.448157      3.818272
  C      -5.046347      8.285685      4.515837
  F      -5.528688      8.174068      5.776866
  C      -4.288759      7.241603      3.958006
  C      -3.923657      5.965057      4.643805
  O      -3.443026      5.034971      4.008897
  C      -4.179377      5.807464      6.152286
  C      -3.843835      7.420135      2.640048
  C      -8.251979     -5.529109      4.717564
  C      -7.167259     -4.539807      5.065037
  O      -6.042136     -4.633470      4.582098
  C      -7.498234     -3.420987      6.004910
  C      -8.802341     -3.190149      6.477943
  C      -9.073423     -2.107571      7.307865
  C      -8.033445     -1.253734      7.653437
  F      -8.329196     -0.202054      8.456697
  C      -6.713110     -1.454272      7.225616
  C      -5.552597     -0.563114      7.533703
  O      -4.408853     -0.987946      7.458158
  C      -5.828020      0.905626      7.895202
  C      -6.473804     -2.558743      6.399799
  H      -0.337687     -4.085274     -0.020547
  H      -1.716543     -4.926323      0.760008
  H      -1.997321     -3.944515     -0.687856
  H      -4.005886     -4.181500      0.626296
  H      -6.261075     -3.589634      1.502890
  H      -4.353760      2.117438      3.209251
  H      -2.897706      1.160331      2.923862
  H      -2.319574     -0.777332      2.609643
  H      -3.512969     10.820102      0.223118
  H      -4.993395     10.065168     -0.387278
  H      -3.454030      9.843721     -1.279843
  H      -5.121245     10.506748      1.969932
  H      -5.948919     10.219515      4.303203
  H      -3.838953      6.713252      6.680444
  H      -5.269474      5.755823      6.294810
  H      -3.256363      6.627967      2.174203
  H      -8.679641     -5.983733      5.623303
  H      -7.834286     -6.309764      4.073410
  H      -9.077036     -5.024833      4.190035
  H      -9.619820     -3.852714      6.194182
  H     -10.075917     -1.911579      7.688391
  H      -6.244716      0.928284      8.919058
  H      -6.605988      1.293807      7.226377
  H      -5.460442     -2.731807      6.038112
  N      -5.695653      3.086619      5.495153
  H      -6.613643      3.199600      5.056601
88
Coordinates from ORCA-job orca E -6506.763939763563
  N      -3.157806      1.824026      4.876477
  Mo     -4.176226      2.810617      6.235682
  N      -4.640588      1.719138      7.794225
  C      -3.679510      1.525106      8.888384
  C      -2.292922      1.366038      8.292797
  N      -2.092321      2.448551      7.297633
  C      -1.152949      2.057004      6.219906
  C      -1.886906      1.181909      5.223439
  C      -1.698151      3.721696      7.947032
  C      -2.162517      4.872206      7.080494
  N      -3.551097      4.627356      6.684934
  H      -1.268837      1.064890      4.317646
  H      -2.063617      0.167726      5.627044
  H      -0.821797      2.973639      5.713380
  H      -0.267333      1.550132      6.637585
  H      -2.097766      5.815372      7.648684
  H      -1.523061      4.989690      6.185953
  H      -2.209869      3.772515      8.917440
  H      -0.610953      3.750716      8.127867
  H      -3.935406      0.624958      9.464644
  H      -3.726066      2.383556      9.582374
  H      -2.253915      0.403403      7.768731
  H      -1.499037      1.391473      9.058438
  C      -1.366833     -3.989144      0.226776
  C      -1.603263     -2.775811      1.091818
  O      -0.684858     -2.022957      1.405597
  C      -2.997542     -2.499711      1.571001
  C      -4.091330     -3.326540      1.270899
  C      -5.359752     -3.031362      1.764372
  C      -5.528735     -1.913888      2.571008
  F      -6.766816     -1.647688      3.027294
  C      -4.462391     -1.045629      2.888546
  C      -4.625640      0.097418      3.823532
  O      -5.431118      0.076064      4.743010
  C      -3.726855      1.340750      3.632225
  C      -3.205849     -1.364435      2.360680
  C      -3.852289      9.984634     -0.254759
  C      -3.560358      8.726576      0.525563
  O      -2.907903      7.807987      0.041390
  C      -4.101061      8.612159      1.924352
  C      -4.853269      9.630806      2.536025
  C      -5.330996      9.476890      3.834044
  C      -5.046641      8.302277      4.519137
  F      -5.537779      8.183054      5.776434
  C      -4.299287      7.254644      3.952923
  C      -3.955386      5.966765      4.626563
  O      -3.457015      5.047665      3.989759
  C      -4.199733      5.804319      6.135741
  C      -3.842234      7.442814      2.640240
  C      -8.274208     -5.568118      4.768903
  C      -7.188368     -4.573080      5.103127
  O      -6.063647     -4.674656      4.621778
  C      -7.515538     -3.442225      6.032115
  C      -8.817361     -3.206615      6.507563
  C      -9.084481     -2.114637      7.328655
  C      -8.042694     -1.256745      7.662498
  F      -8.334156     -0.196903      8.458161
  C      -6.724570     -1.460829      7.229829
  C      -5.562470     -0.566830      7.523886
  O      -4.418707     -0.992654      7.444790
  C      -5.835796      0.902214      7.885045
  C      -6.489322     -2.574748      6.414210
  H      -0.306482     -4.042772     -0.037674
  H      -1.661368     -4.907323      0.756383
  H      -1.973152     -3.940545     -0.690251
  H      -3.960502     -4.214013      0.651305
  H      -6.219353     -3.664911      1.547981
  H      -4.387760      2.107166      3.197590
  H      -2.927669      1.159420      2.899958
  H      -2.333028     -0.751282      2.585597
  H      -3.450442     10.867982      0.264980
  H      -4.937758     10.138240     -0.357861
  H      -3.397358      9.906511     -1.247288
  H      -5.073362     10.554598      2.000945
  H      -5.921717     10.250538      4.325023
  H      -3.857682      6.709768      6.664104
  H      -5.288865      5.749492      6.284569
  H      -3.261311      6.648921      2.168813
  H      -8.701166     -6.011801      5.681044
  H      -7.858590     -6.357785      4.134136
  H      -9.099187     -5.070293      4.235787
  H      -9.635766     -3.872936      6.233474
  H     -10.085232     -1.915042      7.711582
  H      -6.247957      0.925465      8.911072
  H      -6.617449      1.289296      7.219532
  H      -5.477150     -2.751518      6.050098
  N      -5.713797      3.080331      5.480762
  H      -6.633358      3.191425      5.044558
88
Coordinates from ORCA-job orca E -6506.764068436248
  N      -3.151604      1.826511      4.887403
  Mo     -4.167870      2.814554      6.247608
  N      -4.632789      1.722290      7.805127
  C      -3.672546      1.527415      8.899227
  C      -2.286384      1.367115      8.304517
  N      -2.084637      2.449025      7.309075
  C      -1.146655      2.055647      6.230658
  C      -1.882101      1.181508      5.234480
  C      -1.688835      3.721880      7.958290
  C      -2.151988      4.873450      7.092525
  N      -3.540654      4.630335      6.697100
  H      -1.264623      1.063324      4.328509
  H      -2.060634      0.167616      5.638415
  H      -0.814543      2.971852      5.723822
  H      -0.262019      1.546859      6.648136
  H      -2.085965      5.816480      7.661055
  H      -1.512853      4.990610      6.197796
  H      -2.200090      3.772903      8.928814
  H      -0.601602      3.749586      8.138494
  H      -3.929566      0.627656      9.475314
  H      -3.718486      2.386233      9.592749
  H      -2.247880      0.403986      7.781239
  H      -1.493052      1.392657      9.070214
  C      -1.398914     -4.025153      0.263046
  C      -1.625544     -2.807527      1.123163
  O      -0.699534     -2.068185      1.443654
  C      -3.019614     -2.510588      1.590679
  C      -4.123918     -3.319510      1.280134
  C      -5.392109     -3.003935      1.760751
  C      -5.550456     -1.884390      2.565872
  F      -6.787011     -1.598475      3.010577
  C      -4.473335     -1.034730      2.895555
  C      -4.627262      0.107913      3.832258
  O      -5.456390      0.105127      4.730871
  C      -3.721035      1.345796      3.641966
  C      -3.216783     -1.373371      2.379402
  C      -3.884863      9.958032     -0.268972
  C      -3.582470      8.706772      0.517887
  O      -2.922719      7.791940      0.038950
  C      -4.115779      8.597129      1.919684
  C      -4.873581      9.613584      2.527255
  C      -5.345179      9.463860      3.827813
  C      -5.049003      8.295997      4.519666
  F      -5.536779      8.180090      5.778389
  C      -4.295064      7.250897      3.957930
  C      -3.938038      5.969178      4.637724
  O      -3.449620      5.044501      4.001102
  C      -4.186600      5.808481      6.146686
  C      -3.844964      7.434414      2.642270
  C      -8.239720     -5.536741      4.709487
  C      -7.157652     -4.543754      5.058307
  O      -6.030762     -4.637080      4.579985
  C      -7.491196     -3.425473      5.998969
  C      -8.795606     -3.197991      6.472084
  C      -9.068736     -2.115994      7.303107
  C      -8.030400     -1.259804      7.649899
  F      -8.328510     -0.209136      8.454272
  C      -6.709693     -1.457049      7.221545
  C      -5.550390     -0.564068      7.529206
  O      -4.405691     -0.985095      7.442548
  C      -5.826605      0.903746      7.893460
  C      -6.468551     -2.560994      6.394982
  H      -0.336722     -4.094997      0.007367
  H      -1.710759     -4.938108      0.793335
  H      -1.997081     -3.968224     -0.659336
  H      -4.001541     -4.208090      0.660735
  H      -6.259824     -3.622779      1.534667
  H      -4.376777      2.115857      3.205808
  H      -2.921607      1.159213      2.911408
  H      -2.335877     -0.775118      2.613365
  H      -3.488669     10.847176      0.245274
  H      -4.971502     10.102307     -0.370990
  H      -3.431519      9.877993     -1.262229
  H      -5.103478     10.531833      1.986632
  H      -5.941012     10.235571      4.315391
  H      -3.844005      6.713452      6.675030
  H      -5.276091      5.755782      6.293811
  H      -3.259857      6.642006      2.173765
  H      -8.667186     -5.992620      5.615009
  H      -7.819772     -6.316811      4.066036
  H      -9.065454     -5.034874      4.180914
  H      -9.611643     -3.862189      6.187270
  H     -10.071685     -1.922166      7.683459
  H      -6.239578      0.924473      8.918984
  H      -6.607889      1.291114      7.227994
  H      -5.454776     -2.731366      6.032670
  N      -5.705284      3.086582      5.493719
  H      -6.625327      3.198557      5.058919
88
Coordinates from ORCA-job orca E -6506.764071080453
  N      -3.155269      1.828889      4.874223
  Mo     -4.165330      2.817494      6.238855
  N      -4.630366      1.720677      7.792806
  C      -3.668812      1.519194      8.884522
  C      -2.283620      1.358674      8.287596
  N      -2.081277      2.443578      7.295542
  C      -1.146599      2.051948      6.213629
  C      -1.885810      1.181426      5.217142
  C      -1.681383      3.713372      7.948172
  C      -2.143028      4.868823      7.086839
  N      -3.532797      4.630277      6.692675
  H      -1.270688      1.064080      4.309498
  H      -2.064984      0.167028      5.619534
  H      -0.814535      2.969112      5.708475
  H      -0.261874      1.540406      6.627506
  H      -2.073920      5.809858      7.658347
  H      -1.504986      4.987397      6.191542
  H      -2.190918      3.762444      8.919683
  H      -0.593797      3.737867      8.126570
  H      -3.926977      0.617757      9.457497
  H      -3.711952      2.375410      9.581423
  H      -2.247013      0.397177      7.761190
  H      -1.489478      1.380626      9.052484
  C      -1.371992     -4.034281      0.300257
  C      -1.609042     -2.808706      1.145815
  O      -0.689117     -2.059800      1.460426
  C      -3.005665     -2.517826      1.609408
  C      -4.104068     -3.336959      1.304656
  C      -5.374994     -3.025892      1.780682
  C      -5.542087     -1.900632      2.575759
  F      -6.780759     -1.619749      3.016837
  C      -4.471255     -1.040829      2.899354
  C      -4.633968      0.108739      3.825723
  O      -5.466439      0.109477      4.721353
  C      -3.730107      1.347976      3.631094
  C      -3.211692     -1.375327      2.387790
  C      -3.902413      9.977477     -0.259637
  C      -3.598333      8.723160      0.521629
  O      -2.937370      7.811667      0.038911
  C      -4.123548      8.610431      1.926208
  C      -4.878960      9.625059      2.539648
  C      -5.343483      9.472336      3.842340
  C      -5.042646      8.303399      4.530419
  F      -5.523502      8.184625      5.791501
  C      -4.290490      7.260241      3.962934
  C      -3.928100      5.977833      4.638755
  O      -3.448220      5.052170      3.996988
  C      -4.176523      5.811960      6.147200
  C      -3.847608      7.446676      2.645262
  C      -8.267311     -5.537481      4.713457
  C      -7.180219     -4.547941      5.055491
  O      -6.057462     -4.642821      4.567749
  C      -7.506006     -3.426224      5.994488
  C      -8.806896     -3.195835      6.476107
  C      -9.073040     -2.111274      7.305749
  C      -8.031351     -1.255374      7.642733
  F      -8.322893     -0.202017      8.445706
  C      -6.713914     -1.455240      7.205606
  C      -5.551840     -0.562103      7.502051
  O      -4.407981     -0.984852      7.411678
  C      -5.825023      0.903261      7.878274
  C      -6.479782     -2.561690      6.380506
  H      -0.308773     -4.099741      0.047184
  H      -1.678295     -4.943240      0.840865
  H      -1.968878     -3.991669     -0.623799
  H      -3.974696     -4.230009      0.693275
  H      -6.238048     -3.652686      1.558844
  H      -4.388703      2.117545      3.198622
  H      -2.933914      1.162025      2.896950
  H      -2.335197     -0.768835      2.617212
  H      -3.505279     10.864664      0.257231
  H      -4.989290     10.121640     -0.358746
  H      -3.451410      9.901472     -1.254329
  H      -5.112662     10.544018      2.001849
  H      -5.937533     10.242549      4.334420
  H      -3.831463      6.714154      6.678616
  H      -5.265992      5.761302      6.295020
  H      -3.264274      6.655664      2.172238
  H      -8.688587     -5.993526      5.621717
  H      -7.853977     -6.317531      4.065782
  H      -9.096240     -5.033158      4.192217
  H      -9.625704     -3.859852      6.199146
  H     -10.073087     -1.915010      7.692482
  H      -6.235799      0.917610      8.904808
  H      -6.607151      1.296244      7.217109
  H      -5.468803     -2.734242      6.011553
  N      -5.703105      3.095557      5.488479
  H      -6.623989      3.210386      5.056337
88
Coordinates from ORCA-job orca E -6506.764092952020
  N      -3.166382      1.829050      4.862882
  Mo     -4.169341      2.819106      6.231761
  N      -4.630133      1.720711      7.785693
  C      -3.665316      1.517835      8.874319
  C      -2.281899      1.356759      8.273169
  N      -2.081974      2.441808      7.280831
  C      -1.152207      2.049489      6.194922
  C      -1.896393      1.180115      5.201056
  C      -1.677775      3.710625      7.932644
  C      -2.141411      4.867270      7.074030
  N      -3.533024      4.630674      6.685059
  H      -1.284699      1.062302      4.291142
  H      -2.075291      0.165845      5.603875
  H      -0.821213      2.966482      5.688786
  H      -0.266407      1.536714      6.604937
  H      -2.069009      5.807688      7.646124
  H      -1.506700      4.985935      6.176399
  H      -2.183341      3.759679      8.906243
  H      -0.589434      3.733582      8.106704
  H      -3.922382      0.616254      9.447613
  H      -3.705704      2.373628      9.571879
  H      -2.247032      0.395379      7.746495
  H      -1.485562      1.378312      9.035808
  C      -1.364935     -4.052546      0.339949
  C      -1.608044     -2.821047      1.175249
  O      -0.690875     -2.068305      1.489091
  C      -3.007698     -2.528383      1.628507
  C      -4.103569     -3.350547      1.322670
  C      -5.377541     -3.037527      1.789129
  C      -5.550491     -1.907110      2.575701
  F      -6.792070     -1.624583      3.007575
  C      -4.482339     -1.043963      2.899676
  C      -4.651363      0.111761      3.817122
  O      -5.491980      0.119621      4.705113
  C      -3.746143      1.350122      3.621000
  C      -3.219523     -1.380722      2.397758
  C      -3.896633     10.003087     -0.246135
  C      -3.595743      8.744655      0.529758
  O      -2.940714      7.831615      0.041728
  C      -4.120807      8.627808      1.934111
  C      -4.871917      9.642745      2.552375
  C      -5.336194      9.486295      3.854714
  C      -5.039473      8.313286      4.537598
  F      -5.519619      8.191298      5.798668
  C      -4.291827      7.269594      3.965126
  C      -3.933695      5.983142      4.635412
  O      -3.452136      5.060401      3.990764
  C      -4.177688      5.813892      6.144150
  C      -3.848959      7.459942      2.647989
  C      -8.259380     -5.546027      4.713849
  C      -7.173616     -4.554297      5.053940
  O      -6.049893     -4.650377      4.568651
  C      -7.500540     -3.431498      5.991332
  C      -8.801473     -3.202526      6.473418
  C      -9.068725     -2.117394      7.301983
  C      -8.028164     -1.259401      7.637439
  F      -8.321212     -0.205731      8.439459
  C      -6.710676     -1.457606      7.199575
  C      -5.549462     -0.562703      7.494274
  O      -4.404995     -0.982032      7.395289
  C      -5.823642      0.901765      7.872917
  C      -6.475520     -2.564709      6.375543
  H      -0.300273     -4.118950      0.093522
  H      -1.673619     -4.957707      0.885389
  H      -1.956427     -4.017245     -0.587827
  H      -3.969708     -4.247617      0.718135
  H      -6.238558     -3.666862      1.566642
  H      -4.405145      2.121238      3.192127
  H      -2.952546      1.163858      2.884132
  H      -2.345025     -0.771668      2.627898
  H      -3.495812     10.886861      0.273668
  H      -4.983192     10.151213     -0.343214
  H      -3.447329      9.929483     -1.241758
  H      -5.102286     10.564900      2.018658
  H      -5.926814     10.256771      4.350515
  H      -3.830382      6.714696      6.676589
  H      -5.266709      5.763579      6.295162
  H      -3.268943      6.668709      2.171249
  H      -8.679008     -6.001656      5.623150
  H      -7.845248     -6.326270      4.066892
  H      -9.089714     -5.043890      4.192820
  H      -9.619439     -3.868188      6.197814
  H     -10.068805     -1.922124      7.689099
  H      -6.231992      0.914359      8.900383
  H      -6.607831      1.294499      7.213989
  H      -5.464468     -2.736224      6.006259
  N      -5.709271      3.099090      5.486949
  H      -6.631917      3.214395      5.058662
88
Coordinates from ORCA-job orca E -6506.764121679409
  N      -3.195868      1.829732      4.821066
  Mo     -4.174192      2.824053      6.204812
  N      -4.625686      1.717378      7.755164
  C      -3.651675      1.504470      8.833897
  C      -2.273885      1.340004      8.219989
  N      -2.078276      2.427974      7.230062
  C      -1.164468      2.034414      6.131056
  C      -1.925695      1.172898      5.143056
  C      -1.657707      3.690788      7.882928
  C      -2.123911      4.854683      7.035655
  N      -3.521516      4.628817      6.661611
  H      -1.324654      1.054788      4.226039
  H      -2.105914      0.158357      5.544636
  H      -0.834563      2.951492      5.624373
  H      -0.276662      1.514815      6.527858
  H      -2.039103      5.791428      7.612028
  H      -1.498816      4.974468      6.131496
  H      -2.151221      3.738429      8.862825
  H      -0.567194      3.705654      8.044084
  H      -3.907919      0.601580      9.405647
  H      -3.681599      2.357099      9.535762
  H      -2.246354      0.380445      7.689814
  H      -1.471246      1.356246      8.976188
  C      -1.311581     -4.095790      0.475769
  C      -1.581363     -2.846258      1.275800
  O      -0.677504     -2.075967      1.586526
  C      -2.992356     -2.555502      1.693895
  C      -4.074884     -3.394566      1.386174
  C      -5.360583     -3.081708      1.819173
  C      -5.559406     -1.934213      2.574421
  F      -6.812157     -1.652855      2.973902
  C      -4.505270     -1.053433      2.898144
  C      -4.702113      0.124297      3.781121
  O      -5.564263      0.150580      4.647961
  C      -3.792376      1.360247      3.582558
  C      -3.229875     -1.391119      2.429870
  C      -3.907735     10.080900     -0.204417
  C      -3.608807      8.810961      0.553466
  O      -2.967251      7.897738      0.047679
  C      -4.124691      8.680402      1.960135
  C      -4.864486      9.692831      2.596065
  C      -5.320099      9.523971      3.899887
  C      -5.025797      8.341142      4.566662
  F      -5.497502      8.207737      5.829821
  C      -4.289145      7.299485      3.976297
  C      -3.932757      6.003767      4.629332
  O      -3.459335      5.086274      3.971447
  C      -4.165489      5.819969      6.137977
  C      -3.855222      7.502405      2.657995
  C      -8.275721     -5.568811      4.728258
  C      -7.187320     -4.575735      5.056284
  O      -6.063181     -4.682159      4.574175
  C      -7.509259     -3.443886      5.984700
  C      -8.807272     -3.212094      6.473116
  C      -9.069771     -2.121095      7.295465
  C      -8.027704     -1.259819      7.618388
  F      -8.317514     -0.201428      8.415277
  C      -6.712887     -1.459558      7.172626
  C      -5.549317     -0.563242      7.454149
  O      -4.405594     -0.975969      7.321479
  C      -5.819008      0.898355      7.845953
  C      -6.482817     -2.572711      6.355018
  H      -0.241913     -4.159155      0.251658
  H      -1.623711     -4.989703      1.037254
  H      -1.884952     -4.088467     -0.463875
  H      -3.921222     -4.304744      0.806401
  H      -6.211239     -3.724396      1.595241
  H      -4.452768      2.137339      3.167838
  H      -3.007705      1.174604      2.836039
  H      -2.365725     -0.767939      2.660939
  H      -3.497977     10.955741      0.323346
  H      -4.994172     10.236313     -0.291683
  H      -3.466401     10.017102     -1.204246
  H      -5.092663     10.622692      2.074992
  H      -5.901961     10.292309      4.409205
  H      -3.809380      6.713726      6.676551
  H      -5.253374      5.773012      6.297730
  H      -3.283852      6.713202      2.167611
  H      -8.689344     -6.018811      5.643277
  H      -7.865798     -6.353394      4.083873
  H      -9.109580     -5.070038      4.209849
  H      -9.626478     -3.880603      6.208090
  H     -10.067382     -1.923458      7.687691
  H      -6.218516      0.903615      8.876806
  H      -6.608677      1.296177      7.196498
  H      -5.473815     -2.746746      5.981065
  N      -5.719369      3.115593      5.476764
  H      -6.646853      3.235357      5.060230
88
Coordinates from ORCA-job orca E -6506.764137888443
  N      -3.230097      1.835553      4.771759
  Mo     -4.184065      2.832784      6.170430
  N      -4.625272      1.714019      7.714628
  C      -3.642095      1.490660      8.783189
  C      -2.269240      1.327188      8.157133
  N      -2.079663      2.420176      7.171603
  C      -1.181476      2.028800      6.058975
  C      -1.958071      1.174082      5.076866
  C      -1.644760      3.676541      7.827161
  C      -2.114951      4.847967      6.992657
  N      -3.517859      4.631009      6.633006
  H      -1.367482      1.057661      4.152854
  H      -2.136977      0.158787      5.477126
  H      -0.854890      2.947154      5.552454
  H      -0.290422      1.504222      6.441621
  H      -2.019398      5.780384      7.574317
  H      -1.499438      4.971145      6.082482
  H      -2.126340      3.720680      8.813195
  H      -0.552324      3.684824      7.975567
  H      -3.895884      0.584744      9.351378
  H      -3.663727      2.338435      9.491093
  H      -2.246323      0.370483      7.621911
  H      -1.461027      1.338734      8.907460
  C      -1.272492     -4.142728      0.616330
  C      -1.565492     -2.875866      1.380560
  O      -0.673286     -2.090103      1.687007
  C      -2.985687     -2.587831      1.768228
  C      -4.055254     -3.445184      1.465461
  C      -5.350813     -3.132689      1.868074
  C      -5.573112     -1.966891      2.587982
  F      -6.835295     -1.687226      2.958301
  C      -4.532578     -1.067289      2.904988
  C      -4.755633      0.134290      3.748643
  O      -5.644862      0.184601      4.586671
  C      -3.845933      1.370448      3.539861
  C      -3.246528     -1.405839      2.467450
  C      -3.888704     10.180506     -0.150681
  C      -3.602019      8.894857      0.585274
  O      -2.970971      7.983218      0.063216
  C      -4.116205      8.747282      1.990887
  C      -4.845920      9.756372      2.643615
  C      -5.300246      9.571894      3.945719
  C      -5.014235      8.376917      4.594220
  F      -5.484810      8.229183      5.856255
  C      -4.287522      7.337976      3.986755
  C      -3.938878      6.030469      4.620121
  O      -3.466333      5.121728      3.949672
  C      -4.162340      5.829611      6.127830
  C      -3.855094      7.556806      2.670448
  C      -8.282984     -5.615084      4.757300
  C      -7.192215     -4.618932      5.068118
  O      -6.070460     -4.732182      4.582157
  C      -7.509504     -3.473892      5.982142
  C      -8.803048     -3.241873      6.482092
  C      -9.061225     -2.141597      7.293281
  C      -8.019811     -1.271148      7.593514
  F      -8.307028     -0.204753      8.380442
  C      -6.709222     -1.469228      7.134000
  C      -5.546314     -0.564268      7.390082
  O      -4.402832     -0.967384      7.226751
  C      -5.815659      0.890751      7.804730
  C      -6.483701     -2.592137      6.328192
  H      -0.198756     -4.203494      0.412253
  H      -1.588364     -5.024795      1.193989
  H      -1.829393     -4.162914     -0.332904
  H      -3.883814     -4.369157      0.913040
  H      -6.191527     -3.789512      1.647786
  H      -4.511788      2.150332      3.140559
  H      -3.072546      1.186012      2.781314
  H      -2.392509     -0.767143      2.693096
  H      -3.471424     11.042421      0.392148
  H      -4.973710     10.347043     -0.235686
  H      -3.447661     10.129822     -1.151349
  H      -5.067255     10.695772      2.136975
  H      -5.874637     10.337314      4.467740
  H      -3.799785      6.715927      6.674498
  H      -5.249194      5.783688      6.294436
  H      -3.291434      6.770296      2.166965
  H      -8.685268     -6.059944      5.680017
  H      -7.878871     -6.403545      4.113975
  H      -9.123739     -5.121349      4.245424
  H      -9.621854     -3.917899      6.235488
  H     -10.055162     -1.943344      7.694373
  H      -6.206491      0.881660      8.838777
  H      -6.611883      1.294731      7.167004
  H      -5.478051     -2.766497      5.945273
  N      -5.734412      3.133144      5.458474
  H      -6.666811      3.255093      5.053519
88
Coordinates from ORCA-job orca E -6506.764160953367
  N      -3.232214      1.837522      4.769296
  Mo     -4.184680      2.836654      6.167468
  N      -4.629748      1.715024      7.708693
  C      -3.648385      1.489230      8.778419
  C      -2.274576      1.325405      8.154490
  N      -2.082318      2.419479      7.170575
  C      -1.184053      2.027796      6.058090
  C      -1.961021      1.174707      5.074843
  C      -1.645595      3.674240      7.827952
  C      -2.113194      4.847428      6.994362
  N      -3.516209      4.633110      6.633480
  H      -1.369207      1.058731      4.151538
  H      -2.141180      0.159402      5.474505
  H      -0.855766      2.946102      5.552499
  H      -0.293667      1.502026      6.440673
  H      -2.016666      5.779092      7.577098
  H      -1.496739      4.970723      6.084859
  H      -2.127696      3.718224      8.813750
  H      -0.553264      3.680417      7.977196
  H      -3.903842      0.582752      9.345035
  H      -3.670491      2.335976      9.487492
  H      -2.251269      0.369374      7.618141
  H      -1.467831      1.335409      8.906371
  C      -1.275506     -4.130944      0.607712
  C      -1.568620     -2.867336      1.377358
  O      -0.677104     -2.080161      1.682426
  C      -2.987971     -2.584523      1.771725
  C      -4.054895     -3.448140      1.477749
  C      -5.349945     -3.139773      1.885187
  C      -5.574152     -1.971868      2.600917
  F      -6.836182     -1.696536      2.975288
  C      -4.536344     -1.066298      2.909727
  C      -4.762695      0.140131      3.745713
  O      -5.654843      0.195225      4.580253
  C      -3.849744      1.374512      3.536957
  C      -3.250910     -1.400849      2.467289
  C      -3.884442     10.184973     -0.149624
  C      -3.598698      8.898868      0.585958
  O      -2.969753      7.986335      0.062754
  C      -4.111100      8.751812      1.992127
  C      -4.839372      9.761400      2.645661
  C      -5.292324      9.577269      3.948293
  C      -5.006260      8.382097      4.596527
  F      -5.475605      8.234672      5.859059
  C      -4.280619      7.342821      3.988434
  C      -3.931558      6.035516      4.621857
  O      -3.464681      5.124641      3.950281
  C      -4.158188      5.833275      6.128927
  C      -3.849781      7.561248      2.671546
  C      -8.277814     -5.635708      4.776056
  C      -7.187280     -4.638174      5.083364
  O      -6.063024     -4.757477      4.604860
  C      -7.507662     -3.485028      5.986206
  C      -8.802511     -3.249929      6.481381
  C      -9.063070     -2.143294      7.283003
  C      -8.022936     -1.269792      7.578586
  F      -8.313100     -0.197542      8.356325
  C      -6.711137     -1.470088      7.123018
  C      -5.549234     -0.562439      7.374397
  O      -4.405340     -0.963588      7.208563
  C      -5.819703      0.890878      7.793840
  C      -6.483375     -2.599486      6.326827
  H      -0.202441     -4.187911      0.398801
  H      -1.586857     -5.016045      1.183305
  H      -1.836533     -4.149399     -0.339164
  H      -3.882158     -4.373642      0.928326
  H      -6.188797     -3.801154      1.671571
  H      -4.514538      2.156279      3.140129
  H      -3.077398      1.188980      2.777540
  H      -2.399201     -0.756146      2.683917
  H      -3.465667     11.046392      0.392876
  H      -4.969281     10.353035     -0.233552
  H      -3.444285     10.133714     -1.150656
  H      -5.060801     10.700941      2.139282
  H      -5.865758     10.342941      4.470956
  H      -3.795445      6.718287      6.677585
  H      -5.245448      5.788564      6.293242
  H      -3.287225      6.774424      2.167344
  H      -8.683164     -6.073772      5.700693
  H      -7.872224     -6.429250      4.139989
  H      -9.116639     -5.145192      4.257972
  H      -9.620219     -3.928573      6.238490
  H     -10.058045     -1.942467      7.680266
  H      -6.212698      0.878252      8.827007
  H      -6.614886      1.296659      7.155840
  H      -5.476723     -2.776340      5.947635
  N      -5.733514      3.138307      5.452654
  H      -6.665329      3.260072      5.046338
88
Coordinates from ORCA-job orca E -6506.764171708343
  N      -3.249132      1.842635      4.751876
  Mo     -4.189032      2.844206      6.156684
  N      -4.633641      1.714754      7.692629
  C      -3.649843      1.481758      8.758412
  C      -2.278119      1.316452      8.130389
  N      -2.085249      2.413768      7.150202
  C      -1.194264      2.022416      6.031744
  C      -1.978797      1.174982      5.049529
  C      -1.639582      3.663669      7.810723
  C      -2.105627      4.842443      6.984147
  N      -3.511150      4.635530      6.628698
  H      -1.390633      1.060703      4.123674
  H      -2.160313      0.159224      5.447261
  H      -0.864952      2.941178      5.527553
  H      -0.303588      1.492471      6.407910
  H      -2.002612      5.771360      7.570196
  H      -1.492661      4.966966      6.072496
  H      -2.116789      3.705861      8.798981
  H      -0.546567      3.664147      7.954953
  H      -3.906388      0.573732      9.322203
  H      -3.667492      2.325642      9.470963
  H      -2.258397      0.362456      7.590396
  H      -1.469710      1.321630      8.880460
  C      -1.266563     -4.129560      0.655659
  C      -1.569380     -2.864161      1.418231
  O      -0.682933     -2.071777      1.724294
  C      -2.991933     -2.585897      1.803812
  C      -4.051437     -3.461677      1.519296
  C      -5.349960     -3.156583      1.917864
  C      -5.585087     -1.979446      2.614658
  F      -6.850798     -1.708301      2.978805
  C      -4.555048     -1.061579      2.913892
  C      -4.795322      0.157799      3.726872
  O      -5.698757      0.224726      4.548438
  C      -3.875190      1.388250      3.519754
  C      -3.265767     -1.393968      2.480511
  C      -3.878372     10.209909     -0.136203
  C      -3.601082      8.918166      0.592602
  O      -2.977027      8.005122      0.064781
  C      -4.106167      8.770136      2.001118
  C      -4.826093      9.781511      2.660991
  C      -5.273384      9.596039      3.965375
  C      -4.989776      8.397752      4.609037
  F      -5.453507      8.249067      5.873468
  C      -4.271875      7.356851      3.994799
  C      -3.925451      6.046662      4.623515
  O      -3.470153      5.133635      3.946855
  C      -4.149508      5.840376      6.130590
  C      -3.846835      7.576646      2.676293
  C      -8.267035     -5.666380      4.794474
  C      -7.176003     -4.668932      5.099676
  O      -6.050873     -4.791442      4.624156
  C      -7.500562     -3.505202      5.987397
  C      -8.796364     -3.267991      6.479207
  C      -9.060023     -2.153044      7.267851
  C      -8.022543     -1.273382      7.553849
  F      -8.317263     -0.193580      8.319046
  C      -6.709841     -1.474439      7.100405
  C      -5.549944     -0.561326      7.341952
  O      -4.405893     -0.955850      7.161393
  C      -5.821865      0.888205      7.772911
  C      -6.479240     -2.612531      6.317357
  H      -0.192217     -4.182007      0.451923
  H      -1.576573     -5.014099      1.233026
  H      -1.823398     -4.154201     -0.293626
  H      -3.870491     -4.394369      0.984950
  H      -6.183329     -3.827186      1.711735
  H      -4.537417      2.175917      3.131294
  H      -3.107085      1.201408      2.756558
  H      -2.419406     -0.739861      2.688994
  H      -3.452803     11.065737      0.409904
  H      -4.962053     10.386230     -0.217714
  H      -3.439930     10.160246     -1.138070
  H      -5.045626     10.723484      2.158269
  H      -5.840698     10.362875      4.492957
  H      -3.782141      6.721720      6.682002
  H      -5.236636      5.799300      6.296795
  H      -3.290666      6.788557      2.167025
  H      -8.672934     -6.101105      5.720430
  H      -7.861299     -6.462704      4.161999
  H      -9.105377     -5.177432      4.274134
  H      -9.612044     -3.951640      6.243884
  H     -10.055735     -1.950242      7.662291
  H      -6.214044      0.867606      8.806201
  H      -6.618287      1.297462      7.138556
  H      -5.471873     -2.791225      5.940805
  N      -5.738891      3.151639      5.446582
  H      -6.672018      3.274582      5.043776
88
Coordinates from ORCA-job orca E -6506.764185334156
  N      -3.269584      1.848713      4.721601
  Mo     -4.192225      2.851489      6.136900
  N      -4.633707      1.710711      7.665460
  C      -3.644949      1.466938      8.724244
  C      -2.276521      1.301659      8.088777
  N      -2.084986      2.404751      7.114781
  C      -1.204271      2.016788      5.987058
  C      -1.998888      1.176593      5.006653
  C      -1.628440      3.647849      7.780530
  C      -2.094162      4.834409      6.965034
  N      -3.502911      4.636201      6.617366
  H      -1.417185      1.065566      4.076328
  H      -2.180213      0.159739      5.401428
  H      -0.875869      2.937227      5.485293
  H      -0.312161      1.482159      6.353124
  H      -1.983193      5.758920      7.556584
  H      -1.486466      4.962420      6.050374
  H      -2.098578      3.685806      8.772350
  H      -0.534470      3.641854      7.917261
  H      -3.901749      0.556068      9.283474
  H      -3.656037      2.306020      9.442520
  H      -2.261469      0.351145      7.542720
  H      -1.464890      1.300176      8.835364
  C      -1.234795     -4.135753      0.736094
  C      -1.554636     -2.865157      1.482573
  O      -0.677393     -2.062535      1.788154
  C      -2.982807     -2.593810      1.851505
  C      -4.031213     -3.485708      1.576113
  C      -5.335589     -3.185924      1.959029
  C      -5.587905     -1.997554      2.630364
  F      -6.859328     -1.733223      2.978539
  C      -4.569453     -1.063289      2.919609
  C      -4.829613      0.170772      3.703403
  O      -5.750078      0.251163      4.504880
  C      -3.908415      1.401083      3.492779
  C      -3.273745     -1.391788      2.502339
  C      -3.880364     10.254679     -0.110421
  C      -3.605139      8.957215      0.608846
  O      -2.993328      8.042633      0.069835
  C      -4.102566      8.802742      2.019282
  C      -4.813192      9.813682      2.689767
  C      -5.253896      9.622206      3.995498
  C      -4.972936      8.418334      4.629863
  F      -5.430432      8.263821      5.895842
  C      -4.263996      7.377694      4.004954
  C      -3.920536      6.062088      4.623725
  O      -3.476743      5.149691      3.938552
  C      -4.138473      5.847219      6.130641
  C      -3.845720      7.603562      2.685339
  C      -8.278901     -5.701774      4.825369
  C      -7.186738     -4.700665      5.113490
  O      -6.060561     -4.834749      4.643655
  C      -7.508703     -3.524284      5.985457
  C      -8.802335     -3.281960      6.480601
  C      -9.062985     -2.156983      7.255589
  C      -8.025119     -1.272631      7.524992
  F      -8.318403     -0.183832      8.277614
  C      -6.714412     -1.477388      7.066773
  C      -5.553782     -0.560565      7.291093
  O      -4.411603     -0.950080      7.088117
  C      -5.821650      0.883750      7.741393
  C      -6.487130     -2.625736      6.297587
  H      -0.158359     -4.181249      0.541982
  H      -1.542514     -5.017120      1.319539
  H      -1.783607     -4.174253     -0.217426
  H      -3.837147     -4.427092      1.062029
  H      -6.160584     -3.868991      1.760418
  H      -4.572349      2.192269      3.115520
  H      -3.147224      1.215233      2.722638
  H      -2.435326     -0.725499      2.703638
  H      -3.446528     11.104964      0.437786
  H      -4.963617     10.437372     -0.183431
  H      -3.449099     10.208453     -1.115559
  H      -5.030571     10.760047      2.194405
  H      -5.814215     10.388512      4.531277
  H      -3.765045      6.723133      6.686485
  H      -5.225064      5.809471      6.301213
  H      -3.296728      6.815904      2.167672
  H      -8.679911     -6.125250      5.758702
  H      -7.875665     -6.506103      4.201460
  H      -9.120041     -5.219864      4.303129
  H      -9.618347     -3.969704      6.258883
  H     -10.056893     -1.949813      7.652298
  H      -6.209511      0.851644      8.776009
  H      -6.620656      1.300947      7.115374
  H      -5.481346     -2.808730      5.918696
  N      -5.744507      3.166680      5.435827
  H      -6.679974      3.291378      5.039117
88
Coordinates from ORCA-job orca E -6506.764231097462
  N      -3.317570      1.861655      4.647550
  Mo     -4.199566      2.864917      6.088054
  N      -4.631919      1.699686      7.600884
  C      -3.630909      1.432526      8.642426
  C      -2.271112      1.266574      7.987912
  N      -2.083639      2.381981      7.027079
  C      -1.227678      2.001658      5.877801
  C      -2.046409      1.178655      4.902305
  C      -1.601679      3.609600      7.703345
  C      -2.067964      4.813534      6.914126
  N      -3.484131      4.634501      6.586334
  H      -1.480757      1.075302      3.961236
  H      -2.227427      0.159014      5.289630
  H      -0.901560      2.925844      5.381405
  H      -0.332576      1.456171      6.219880
  H      -1.938399      5.727548      7.518069
  H      -1.473524      4.950238      5.992076
  H      -2.054279      3.637526      8.703656
  H      -0.505652      3.589430      7.821232
  H      -3.887775      0.515824      9.192335
  H      -3.625901      2.261097      9.372726
  H      -2.268080      0.323720      7.428884
  H      -1.451011      1.250114      8.724996
  C      -1.174042     -4.154088      0.946748
  C      -1.532087     -2.867764      1.647173
  O      -0.675402     -2.041873      1.949487
  C      -2.973049     -2.608678      1.971881
  C      -3.997587     -3.533691      1.716350
  C      -5.315401     -3.242450      2.057151
  C      -5.605683     -2.028849      2.665540
  F      -6.889876     -1.776531      2.972438
  C      -4.611904     -1.061225      2.932739
  C      -4.914221      0.205480      3.644843
  O      -5.872983      0.318253      4.396511
  C      -3.986062      1.431423      3.426599
  C      -3.301635     -1.383952      2.558708
  C      -3.879712     10.362428     -0.045323
  C      -3.613723      9.049387      0.648677
  O      -3.026375      8.133820      0.084776
  C      -4.094975      8.878235      2.062705
  C      -4.783585      9.887313      2.758499
  C      -5.210376      9.680306      4.066454
  C      -4.937174      8.462800      4.677762
  F      -5.381414      8.293410      5.946538
  C      -4.249614      7.423454      4.027251
  C      -3.914969      6.094354      4.621029
  O      -3.493726      5.186277      3.916114
  C      -4.114632      5.859035      6.127576
  C      -3.845603      7.665110      2.706007
  C      -8.286880     -5.781979      4.888424
  C      -7.193399     -4.774386      5.147005
  O      -6.064199     -4.929588      4.691331
  C      -7.515381     -3.569573      5.979549
  C      -8.807088     -3.315874      6.474135
  C      -9.066156     -2.168669      7.215937
  C      -8.029455     -1.273812      7.453437
  F      -8.324187     -0.165051      8.175293
  C      -6.720661     -1.486810      6.992144
  C      -5.560141     -0.562062      7.184157
  O      -4.422681     -0.940588      6.936640
  C      -5.819305      0.871980      7.670262
  C      -6.495642     -2.657757      6.256470
  H      -0.092872     -4.186712      0.778366
  H      -1.480620     -5.023555      1.548274
  H      -1.700672     -4.229056     -0.017061
  H      -3.774614     -4.494309      1.251915
  H      -6.122407     -3.950901      1.874537
  H      -4.650094      2.232624      3.073762
  H      -3.240774      1.244653      2.641229
  H      -2.480804     -0.691837      2.743820
  H      -3.427544     11.197431      0.511431
  H      -4.961184     10.561166     -0.101570
  H      -3.461764     10.326954     -1.056480
  H      -4.994578     10.844431      2.281376
  H      -5.754098     10.444752      4.621664
  H      -3.726015      6.722377      6.692401
  H      -5.199345      5.828354      6.311301
  H      -3.313649      6.879101      2.168392
  H      -8.682571     -6.181900      5.834506
  H      -7.886029     -6.602497      4.284357
  H      -9.131068     -5.314321      4.358490
  H      -9.622096     -4.012813      6.279038
  H     -10.058359     -1.951920      7.611789
  H      -6.197509      0.818181      8.707504
  H      -6.623996      1.303856      7.061374
  H      -5.491113     -2.850248      5.878502
  N      -5.758433      3.197471      5.410677
  H      -6.699655      3.326268      5.029183
88
Coordinates from ORCA-job orca E -6506.764297118900
  N      -3.336614      1.899398      4.565427
  Mo     -4.187881      2.872779      6.044739
  N      -4.605166      1.666646      7.528358
  C      -3.590781      1.364739      8.546804
  C      -2.241271      1.213465      7.867919
  N      -2.063574      2.357718      6.938988
  C      -1.225570      2.012522      5.765616
  C      -2.057132      1.215740      4.779561
  C      -1.569775      3.563825      7.645911
  C      -2.042379      4.792898      6.899680
  N      -3.462357      4.626938      6.581268
  H      -1.507102      1.144308      3.827006
  H      -2.225815      0.183638      5.138237
  H      -0.910195      2.951954      5.291455
  H      -0.323706      1.459452      6.076545
  H      -1.904549      5.687816      7.529852
  H      -1.457069      4.957171      5.976219
  H      -2.009862      3.562091      8.652073
  H      -0.472467      3.537354      7.749103
  H      -3.844247      0.433863      9.073824
  H      -3.571148      2.171999      9.300375
  H      -2.249684      0.287641      7.280876
  H      -1.411178      1.172197      8.592562
  C      -1.127117     -4.189410      1.233021
  C      -1.518684     -2.862037      1.830429
  O      -0.678276     -2.013283      2.114802
  C      -2.971373     -2.595276      2.088517
  C      -3.982478     -3.539557      1.851554
  C      -5.311511     -3.238179      2.134116
  C      -5.626681     -1.996999      2.670843
  F      -6.919982     -1.740399      2.931024
  C      -4.646627     -1.010531      2.920181
  C      -4.976778      0.287863      3.562228
  O      -5.967792      0.433635      4.266179
  C      -4.033211      1.503246      3.345452
  C      -3.324757     -1.343433      2.597959
  C      -3.909811     10.412037      0.006613
  C      -3.648934      9.090778      0.686797
  O      -3.065670      8.178797      0.113303
  C      -4.109783      8.914382      2.107119
  C      -4.783322      9.922152      2.819374
  C      -5.192199      9.708158      4.132079
  C      -4.916786      8.485144      4.731414
  F      -5.342233      8.309344      6.005701
  C      -4.243947      7.447049      4.063961
  C      -3.910447      6.110947      4.641593
  O      -3.501228      5.207552      3.923594
  C      -4.091042      5.861765      6.148313
  C      -3.856982      7.696106      2.739077
  C      -8.319289     -5.856320      4.953053
  C      -7.217199     -4.851496      5.184290
  O      -6.090269     -5.027226      4.730304
  C      -7.533881     -3.610917      5.964313
  C      -8.822951     -3.334026      6.453637
  C      -9.074528     -2.160469      7.155704
  C      -8.033201     -1.262727      7.359579
  F      -8.319820     -0.131449      8.048400
  C      -6.727940     -1.495058      6.896988
  C      -5.560324     -0.574872      7.062588
  O      -4.435913     -0.943457      6.748308
  C      -5.798235      0.847336      7.590734
  C      -6.510580     -2.691662      6.201417
  H      -0.040071     -4.225331      1.108458
  H      -1.451072     -5.017796      1.881631
  H      -1.616145     -4.334339      0.257382
  H      -3.739551     -4.522842      1.448601
  H      -6.108466     -3.961099      1.965052
  H      -4.690347      2.321311      3.022047
  H      -3.305127      1.318228      2.543369
  H      -2.513503     -0.637951      2.767252
  H      -3.447256     11.238782      0.567194
  H      -4.990188     10.618655     -0.040006
  H      -3.499986     10.382405     -1.008089
  H      -4.996684     10.883372      2.351515
  H      -5.724079     10.471609      4.699952
  H      -3.690231      6.716303      6.718312
  H      -5.173513      5.835016      6.345527
  H      -3.337463      6.910737      2.188484
  H      -8.717999     -6.225460      5.910273
  H      -7.924828     -6.697116      4.373223
  H      -9.159902     -5.397562      4.409908
  H      -9.641290     -4.034767      6.288306
  H     -10.063999     -1.926059      7.548247
  H      -6.162807      0.768408      8.631514
  H      -6.607662      1.302981      7.005670
  H      -5.507336     -2.902675      5.829645
  N      -5.757010      3.217127      5.398341
  H      -6.704545      3.346886      5.032977
88
Coordinates from ORCA-job orca E -6506.764455030729
  N      -3.370819      1.934529      4.476472
  Mo     -4.181345      2.884534      5.993817
  N      -4.587665      1.642619      7.450255
  C      -3.559737      1.303863      8.442640
  C      -2.223364      1.159145      7.736177
  N      -2.050452      2.328076      6.837153
  C      -1.236030      2.011265      5.639250
  C      -2.087986      1.243612      4.647423
  C      -1.534771      3.509363      7.570809
  C      -2.007950      4.764251      6.869017
  N      -3.433233      4.618548      6.565000
  H      -1.556898      1.198498      3.682812
  H      -2.250483      0.201919      4.980037
  H      -0.926659      2.962433      5.185053
  H      -0.330374      1.446974      5.917581
  H      -1.854690      5.638722      7.523867
  H      -1.433506      4.952403      5.943127
  H      -1.959311      3.481272      8.583177
  H      -0.436297      3.470498      7.655698
  H      -3.813528      0.361210      8.948169
  H      -3.519432      2.089782      9.217579
  H      -2.251157      0.250533      7.123224
  H      -1.381491      1.089332      8.444827
  C      -1.129609     -4.219545      1.575712
  C      -1.548432     -2.856536      2.063778
  O      -0.722457     -1.984076      2.318721
  C      -3.010652     -2.580618      2.246826
  C      -4.010640     -3.542428      2.034584
  C      -5.349218     -3.228434      2.250175
  C      -5.685632     -1.958092      2.699810
  F      -6.987484     -1.693413      2.902695
  C      -4.716463     -0.954579      2.924135
  C      -5.067736      0.377244      3.481109
  O      -6.092494      0.565002      4.125341
  C      -4.099407      1.572877      3.261957
  C      -3.384773     -1.301312      2.664415
  C      -3.933413     10.480462      0.065587
  C      -3.674126      9.150375      0.729016
  O      -3.110848      8.237477      0.137021
  C      -4.112394      8.965207      2.155592
  C      -4.762112      9.972844      2.889953
  C      -5.149948      9.749620      4.207644
  C      -4.877738      8.517607      4.789687
  F      -5.282167      8.332853      6.069484
  C      -4.229175      7.478976      4.099269
  C      -3.903526      6.132295      4.655361
  O      -3.516858      5.232969      3.919864
  C      -4.055793      5.866845      6.162479
  C      -3.862713      7.737685      2.770416
  C      -8.272027     -5.950835      4.997924
  C      -7.175651     -4.934625      5.206091
  O      -6.041320     -5.125713      4.777541
  C      -7.506577     -3.663806      5.929321
  C      -8.801892     -3.373227      6.393581
  C      -9.064600     -2.175343      7.049028
  C      -8.028045     -1.267736      7.233442
  F      -8.326205     -0.114792      7.879673
  C      -6.717454     -1.510831      6.790831
  C      -5.552308     -0.584769      6.940379
  O      -4.432351     -0.944427      6.599764
  C      -5.782144      0.825303      7.502478
  C      -6.489556     -2.731178      6.141089
  H      -0.038640     -4.256782      1.492811
  H      -1.471813     -5.001648      2.270641
  H      -1.582861     -4.437491      0.596348
  H      -3.751267     -4.548186      1.703572
  H      -6.138222     -3.963617      2.097975
  H      -4.740715      2.411318      2.962339
  H      -3.388744      1.378601      2.445796
  H      -2.581402     -0.583197      2.814122
  H      -3.452393     11.297284      0.625164
  H      -5.012297     10.698232      0.039990
  H      -3.542208     10.455891     -0.956579
  H      -4.972937     10.941186      2.435754
  H      -5.663041     10.513098      4.792530
  H      -3.634738      6.709343      6.735738
  H      -5.134637      5.849313      6.380356
  H      -3.362292      6.952220      2.202524
  H      -8.682502     -6.284324      5.963295
  H      -7.867260     -6.811947      4.456314
  H      -9.106637     -5.516215      4.426518
  H      -9.616290     -4.082696      6.246512
  H     -10.059106     -1.929668      7.421420
  H      -6.140006      0.723376      8.543834
  H      -6.594304      1.296816      6.933964
  H      -5.481334     -2.952339      5.788757
  N      -5.760086      3.248152      5.382504
  H      -6.713516      3.383055      5.034601
88
Coordinates from ORCA-job orca E -6506.764518185890
  N      -3.398924      1.974356      4.404817
  Mo     -4.179518      2.900543      5.952815
  N      -4.580288      1.622700      7.379340
  C      -3.543147      1.250123      8.349487
  C      -2.216128      1.118090      7.622249
  N      -2.046587      2.312514      6.756427
  C      -1.247551      2.029188      5.539863
  C      -2.110324      1.285327      4.539164
  C      -1.517957      3.469262      7.520124
  C      -1.990493      4.747175      6.860683
  N      -3.417996      4.616691      6.560943
  H      -1.592966      1.268982      3.566088
  H      -2.262252      0.234422      4.845987
  H      -0.946369      2.993102      5.107500
  H      -0.336955      1.459713      5.790442
  H      -1.829479      5.600717      7.540893
  H      -1.420673      4.961672      5.937428
  H      -1.933890      3.412629      8.534853
  H      -0.419045      3.422218      7.593891
  H      -3.796660      0.294687      8.830659
  H      -3.488824      2.012912      9.146259
  H      -2.258367      0.228926      6.982251
  H      -1.365980      1.020994      8.317718
  C      -1.198802     -4.234313      1.844678
  C      -1.624089     -2.842940      2.237673
  O      -0.801342     -1.953765      2.442273
  C      -3.088401     -2.556661      2.384178
  C      -4.086846     -3.530005      2.224020
  C      -5.427078     -3.201096      2.404339
  C      -5.766582     -1.905183      2.771810
  F      -7.070486     -1.629234      2.945256
  C      -4.798124     -0.890734      2.946114
  C      -5.151172      0.471828      3.420943
  O      -6.201604      0.705264      4.007055
  C      -4.153381      1.642040      3.195397
  C      -3.465882     -1.253770      2.716784
  C      -3.913664     10.530417      0.112619
  C      -3.662983      9.193800      0.766317
  O      -3.113484      8.278470      0.164635
  C      -4.093403      9.004201      2.194829
  C      -4.726533     10.013661      2.941185
  C      -5.106080      9.785583      4.260597
  C      -4.842315      8.546968      4.832413
  F      -5.238073      8.357349      6.114106
  C      -4.211654      7.505837      4.129156
  C      -3.898846      6.151283      4.672031
  O      -3.529508      5.253271      3.925869
  C      -4.033440      5.875154      6.179009
  C      -3.853127      7.769685      2.799120
  C      -8.164464     -6.069733      5.053132
  C      -7.081894     -5.035549      5.245416
  O      -5.933621     -5.237666      4.861560
  C      -7.443364     -3.734197      5.896353
  C      -8.752292     -3.436102      6.315472
  C      -9.041412     -2.213059      6.910600
  C      -8.017665     -1.288412      7.082067
  F      -8.342796     -0.112970      7.671582
  C      -6.694805     -1.535638      6.678442
  C      -5.540180     -0.594299      6.817258
  O      -4.420683     -0.937301      6.457276
  C      -5.772855      0.801747      7.411943
  C      -6.441078     -2.781233      6.088059
  H      -0.107098     -4.274330      1.772692
  H      -1.543778     -4.968603      2.588740
  H      -1.644415     -4.519625      0.879223
  H      -3.825164     -4.554899      1.960390
  H      -6.215576     -3.943301      2.288414
  H      -4.774209      2.500459      2.912018
  H      -3.457759      1.432058      2.369508
  H      -2.663862     -0.527032      2.822357
  H      -3.419760     11.338973      0.673040
  H      -4.990365     10.759558      0.096700
  H      -3.530711     10.507592     -0.912726
  H      -4.930357     10.987417      2.495329
  H      -5.606026     10.550712      4.854638
  H      -3.597901      6.708457      6.754622
  H      -5.109940      5.865728      6.409747
  H      -3.366070      6.982713      2.221813
  H      -8.600118     -6.361669      6.020984
  H      -7.737816     -6.951514      4.564233
  H      -8.985508     -5.669516      4.438604
  H      -9.556588     -4.159613      6.181404
  H     -10.047114     -1.960793      7.246828
  H      -6.131961      0.674744      8.450390
  H      -6.585311      1.285396      6.854229
  H      -5.422565     -3.007304      5.769689
  N      -5.765359      3.276037      5.367250
  H      -6.722646      3.411194      5.030178
88
Coordinates from ORCA-job orca E -6506.764622060380
  N      -3.402926      1.980528      4.439013
  Mo     -4.192538      2.914558      5.978424
  N      -4.600269      1.638679      7.405602
  C      -3.565483      1.263861      8.377892
  C      -2.235975      1.136666      7.653476
  N      -2.064992      2.334887      6.793780
  C      -1.257040      2.058872      5.581707
  C      -2.108386      1.305801      4.577917
  C      -1.546206      3.490854      7.565107
  C      -2.015835      4.768714      6.904214
  N      -3.439262      4.634690      6.588353
  H      -1.587744      1.292863      3.605696
  H      -2.249341      0.254387      4.886998
  H      -0.961717      3.025276      5.150593
  H      -0.342808      1.497466      5.837195
  H      -1.864527      5.620944      7.588435
  H      -1.436885      4.987537      5.987435
  H      -1.971194      3.430548      8.575994
  H      -0.447881      3.446403      7.648640
  H      -3.818311      0.305289      8.853452
  H      -3.515282      2.022403      9.178810
  H      -2.278004      0.252142      7.007478
  H      -1.386850      1.034700      8.349789
  C      -1.307190     -4.237668      1.726914
  C      -1.708396     -2.843869      2.137652
  O      -0.873484     -1.956315      2.296883
  C      -3.163921     -2.550294      2.346653
  C      -4.172092     -3.520600      2.237253
  C      -5.502612     -3.182756      2.467489
  C      -5.820788     -1.882115      2.836837
  F      -7.117290     -1.597098      3.049708
  C      -4.840221     -0.872508      2.968223
  C      -5.166765      0.493393      3.448531
  O      -6.216591      0.742936      4.028375
  C      -4.149091      1.646175      3.225433
  C      -3.521457     -1.243151      2.685594
  C      -3.848572     10.494494      0.086122
  C      -3.605367      9.163911      0.754968
  O      -3.062015      8.238023      0.163036
  C      -4.055235      8.986807      2.179058
  C      -4.689088     10.006229      2.911187
  C      -5.083954      9.791146      4.228262
  C      -4.834444      8.555336      4.812283
  F      -5.244924      8.377891      6.090965
  C      -4.205352      7.503838      4.122962
  C      -3.907959      6.151964      4.680216
  O      -3.542629      5.243903      3.944009
  C      -4.050105      5.890326      6.189199
  C      -3.831756      7.754586      2.794405
  C      -8.032881     -6.116416      5.058539
  C      -6.970359     -5.064098      5.264673
  O      -5.807925     -5.257566      4.921273
  C      -7.366578     -3.762032      5.894207
  C      -8.691728     -3.473967      6.266529
  C      -9.013690     -2.246976      6.836239
  C      -8.006239     -1.309025      7.031138
  F      -8.365250     -0.128553      7.589741
  C      -6.667568     -1.546158      6.675381
  C      -5.529141     -0.586133      6.827982
  O      -4.397261     -0.919244      6.498398
  C      -5.785788      0.806503      7.421654
  C      -6.381480     -2.796226      6.108807
  H      -0.220633     -4.280230      1.599271
  H      -1.615226     -4.969541      2.489545
  H      -1.802222     -4.525230      0.786659
  H      -3.926696     -4.548729      1.970961
  H      -6.299495     -3.920619      2.385188
  H      -4.753143      2.511595      2.926382
  H      -3.447009      1.417907      2.409758
  H      -2.713773     -0.516558      2.743714
  H      -3.353815     11.306823      0.640350
  H      -4.924197     10.728351      0.063354
  H      -3.460908     10.459444     -0.937110
  H      -4.880740     10.978232      2.456203
  H      -5.584140     10.564530      4.811329
  H      -3.615396      6.728234      6.758092
  H      -5.127978      5.886465      6.414814
  H      -3.343940      6.960087      2.228275
  H      -8.494864     -6.397774      6.017325
  H      -7.580324     -7.000540      4.598079
  H      -8.839303     -5.737285      4.412031
  H      -9.483705     -4.207043      6.112316
  H     -10.033505     -2.001065      7.132508
  H      -6.160834      0.675455      8.454084
  H      -6.593175      1.283197      6.851238
  H      -5.351612     -3.012882      5.822174
  N      -5.776993      3.283706      5.383775
  H      -6.732094      3.413188      5.038645
88
Coordinates from ORCA-job orca E -6506.764809361081
  N      -3.427844      1.988632      4.412256
  Mo     -4.197734      2.917245      5.965883
  N      -4.598983      1.625325      7.380513
  C      -3.554521      1.230606      8.335139
  C      -2.232298      1.113692      7.594988
  N      -2.067442      2.326837      6.755428
  C      -1.269556      2.073179      5.531943
  C      -2.125102      1.326407      4.526773
  C      -1.543052      3.469598      7.542572
  C      -2.014434      4.758578      6.905295
  N      -3.438485      4.630269      6.590873
  H      -1.615954      1.331023      3.548230
  H      -2.250622      0.269757      4.824093
  H      -0.985327      3.047606      5.111418
  H      -0.348997      1.514706      5.770697
  H      -1.860667      5.598806      7.603780
  H      -1.438222      4.993398      5.990604
  H      -1.962542      3.392996      8.554678
  H      -0.444345      3.422509      7.619254
  H      -3.804305      0.264321      8.796529
  H      -3.494187      1.974595      9.148760
  H      -2.284949      0.242340      6.932651
  H      -1.375852      0.995831      8.279890
  C      -1.285337     -4.207668      1.800906
  C      -1.702649     -2.810344      2.182100
  O      -0.876793     -1.914476      2.339716
  C      -3.162024     -2.528332      2.379270
  C      -4.159486     -3.510263      2.278478
  C      -5.495162     -3.181023      2.490525
  C      -5.829414     -1.878192      2.836089
  F      -7.131580     -1.602840      3.023844
  C      -4.859229     -0.857359      2.962876
  C      -5.202965      0.512517      3.417642
  O      -6.267274      0.762366      3.971029
  C      -4.185502      1.666929      3.201715
  C      -3.534971     -1.219853      2.695708
  C      -3.829872     10.510209      0.109566
  C      -3.599507      9.174134      0.771837
  O      -3.067351      8.245419      0.174755
  C      -4.044110      8.996917      2.197473
  C      -4.661356     10.021320      2.936697
  C      -5.050868      9.806673      4.255341
  C      -4.812466      8.566138      4.833948
  F      -5.216046      8.389220      6.114722
  C      -4.200525      7.509419      4.137341
  C      -3.915407      6.153223      4.689569
  O      -3.570190      5.241118      3.948118
  C      -4.045639      5.890127      6.199319
  C      -3.831983      7.759884      2.807300
  C      -8.023190     -6.171410      5.148961
  C      -6.963608     -5.112276      5.332679
  O      -5.795973     -5.317780      5.014781
  C      -7.369011     -3.789652      5.911578
  C      -8.699655     -3.489106      6.253485
  C      -9.029004     -2.245290      6.780464
  C      -8.023463     -1.303290      6.964972
  F      -8.390345     -0.107317      7.482740
  C      -6.679762     -1.550955      6.635349
  C      -5.541972     -0.587833      6.776194
  O      -4.419308     -0.907863      6.404026
  C      -5.787652      0.797048      7.392500
  C      -6.386969     -2.817367      6.109148
  H      -0.197528     -4.242284      1.681272
  H      -1.591488     -4.927549      2.575949
  H      -1.771446     -4.518132      0.863448
  H      -3.902170     -4.540377      2.032463
  H      -6.284482     -3.927051      2.408445
  H      -4.787270      2.537754      2.913738
  H      -3.489000      1.442541      2.380890
  H      -2.734932     -0.483865      2.744462
  H      -3.322916     11.314170      0.664999
  H      -4.902696     10.757019      0.092763
  H      -3.447177     10.474954     -0.915572
  H      -4.844128     10.997010      2.485985
  H      -5.538198     10.584202      4.843766
  H      -3.600827      6.724589      6.765290
  H      -5.121563      5.892884      6.434644
  H      -3.356964      6.961594      2.235700
  H      -8.499681     -6.418152      6.110119
  H      -7.564196     -7.071285      4.727122
  H      -8.819715     -5.815531      4.477432
  H      -9.490119     -4.225794      6.109285
  H     -10.053332     -1.989388      7.051696
  H      -6.157214      0.652330      8.425292
  H      -6.596656      1.286046      6.834998
  H      -5.353263     -3.043242      5.844509
  N      -5.787352      3.291140      5.388259
  H      -6.745009      3.418467      5.049778
88
Coordinates from ORCA-job orca E -6506.764869171223
  N      -3.434468      2.014445      4.383297
  Mo     -4.193647      2.929621      5.950686
  N      -4.590699      1.614635      7.345555
  C      -3.540261      1.199866      8.285620
  C      -2.221906      1.100298      7.536148
  N      -2.062807      2.331128      6.721748
  C      -1.269871      2.103736      5.489831
  C      -2.124719      1.365089      4.477613
  C      -1.538216      3.459227      7.529897
  C      -2.013247      4.760413      6.920462
  N      -3.436635      4.635152      6.601303
  H      -1.622393      1.390455      3.496238
  H      -2.235854      0.302250      4.758645
  H      -0.995984      3.087161      5.083538
  H      -0.343394      1.549121      5.714473
  H      -1.862200      5.585283      7.637649
  H      -1.436957      5.017483      6.011861
  H      -1.954690      3.361772      8.541468
  H      -0.439249      3.412260      7.603035
  H      -3.786102      0.223395      8.727038
  H      -3.476469      1.925727      9.115107
  H      -2.280270      0.244480      6.854634
  H      -1.361149      0.966673      8.212687
  C      -1.373666     -4.255740      1.957188
  C      -1.770434     -2.840927      2.293678
  O      -0.931010     -1.955053      2.434329
  C      -3.226985     -2.528206      2.461689
  C      -4.238826     -3.496479      2.376853
  C      -5.571475     -3.138744      2.559412
  C      -5.889340     -1.820627      2.857877
  F      -7.189580     -1.521638      3.019714
  C      -4.904663     -0.811326      2.969327
  C      -5.236750      0.575120      3.384213
  O      -6.304184      0.849021      3.920849
  C      -4.199354      1.711597      3.172280
  C      -3.582503     -1.204300      2.732172
  C      -3.820334     10.522210      0.130095
  C      -3.596041      9.183844      0.789456
  O      -3.065867      8.255072      0.191201
  C      -4.036724      9.007006      2.216142
  C      -4.645945     10.033730      2.958784
  C      -5.032350      9.819681      4.278408
  C      -4.798824      8.577029      4.854523
  F      -5.198178      8.400250      6.136539
  C      -4.194125      7.518368      4.154786
  C      -3.913348      6.161533      4.706078
  O      -3.588911      5.243700      3.961768
  C      -4.040044      5.898225      6.215676
  C      -3.828556      7.768196      2.823812
  C      -7.930941     -6.233120      5.175276
  C      -6.885041     -5.157631      5.340823
  O      -5.713092     -5.356058      5.034454
  C      -7.311883     -3.824678      5.879944
  C      -8.649675     -3.529742      6.198427
  C      -8.997814     -2.277480      6.692467
  C      -8.003887     -1.321814      6.868906
  F      -8.387438     -0.118838      7.356668
  C      -6.654770     -1.562528      6.558275
  C      -5.529532     -0.584116      6.686455
  O      -4.415811     -0.875689      6.266547
  C      -5.776821      0.782611      7.340703
  C      -6.342917     -2.837007      6.063360
  H      -0.285598     -4.312143      1.849157
  H      -1.699705     -4.946834      2.750158
  H      -1.856435     -4.586212      1.024988
  H      -3.995510     -4.538784      2.171311
  H      -6.372060     -3.874054      2.489315
  H      -4.785961      2.594892      2.890418
  H      -3.509451      1.479553      2.348878
  H      -2.770142     -0.482148      2.772585
  H      -3.307915     11.322232      0.686146
  H      -4.891753     10.775048      0.115863
  H      -3.439447     10.486914     -0.895679
  H      -4.825645     11.010692      2.509696
  H      -5.514014     10.598973      4.869141
  H      -3.589072      6.730213      6.780866
  H      -5.115164      5.905623      6.454980
  H      -3.360107      6.967999      2.249426
  H      -8.414246     -6.459860      6.137880
  H      -7.458254     -7.138575      4.781185
  H      -8.724557     -5.903365      4.487105
  H      -9.430824     -4.277686      6.061986
  H     -10.028002     -2.025632      6.944332
  H      -6.143652      0.609840      8.370417
  H      -6.588954      1.283983      6.798823
  H      -5.304412     -3.057031      5.813623
  N      -5.786867      3.305362      5.384083
  H      -6.745793      3.428362      5.047368
88
Coordinates from ORCA-job orca E -6506.764908881508
  N      -3.433219      1.998958      4.424980
  Mo     -4.204579      2.929460      5.976864
  N      -4.603905      1.631113      7.387486
  C      -3.556696      1.231056      8.337627
  C      -2.234298      1.125252      7.596845
  N      -2.074346      2.344942      6.766251
  C      -1.275364      2.100473      5.541195
  C      -2.126145      1.348942      4.534761
  C      -1.554711      3.484741      7.560456
  C      -2.031022      4.776745      6.932828
  N      -3.453452      4.644121      6.611007
  H      -1.618070      1.358756      3.556218
  H      -2.241828      0.290311      4.830377
  H      -0.998429      3.077834      5.122506
  H      -0.350538      1.548564      5.778895
  H      -1.883932      5.610517      7.640403
  H      -1.452776      5.023879      6.022925
  H      -1.973391      3.400430      8.572346
  H      -0.455821      3.441163      7.637582
  H      -3.801906      0.259376      8.789804
  H      -3.499460      1.967371      9.158368
  H      -2.287235      0.259954      6.926882
  H      -1.376698      1.003396      8.279459
  C      -1.356613     -4.243477      1.784738
  C      -1.746507     -2.846262      2.195458
  O      -0.903202     -1.972389      2.379493
  C      -3.201570     -2.536730      2.380413
  C      -4.215395     -3.498398      2.253428
  C      -5.547225     -3.147516      2.454509
  C      -5.862809     -1.842580      2.808013
  F      -7.161882     -1.550376      2.990082
  C      -4.876918     -0.839423      2.956368
  C      -5.208137      0.530120      3.424613
  O      -6.260789      0.778955      4.000847
  C      -4.186206      1.679148      3.213387
  C      -3.554327     -1.224503      2.706708
  C      -3.794788     10.491918      0.104059
  C      -3.573357      9.157342      0.771704
  O      -3.033632      8.227912      0.183352
  C      -4.027720      8.985660      2.194584
  C      -4.647858     10.014248      2.925471
  C      -5.048322      9.805833      4.241714
  C      -4.817381      8.566692      4.826319
  F      -5.232186      8.394797      6.104124
  C      -4.200754      7.506737      4.139014
  C      -3.919833      6.154579      4.701765
  O      -3.589791      5.231661      3.966230
  C      -4.057706      5.902257      6.212021
  C      -3.821726      7.750653      2.810738
  C      -7.948874     -6.202277      5.178859
  C      -6.903407     -5.125801      5.340011
  O      -5.736829     -5.315663      5.008771
  C      -7.324142     -3.802830      5.908232
  C      -8.658407     -3.512983      6.245577
  C      -9.001365     -2.268279      6.762114
  C      -8.005500     -1.315221      6.941243
  F      -8.381777     -0.118945      7.451274
  C      -6.660340     -1.552053      6.613947
  C      -5.536065     -0.573534      6.740920
  O      -4.421574     -0.866995      6.325240
  C      -5.787509      0.795568      7.388352
  C      -6.352995     -2.818589      6.097108
  H      -0.269135     -4.298534      1.671668
  H      -1.685282     -4.974204      2.539973
  H      -1.842493     -4.521791      0.837302
  H      -3.974522     -4.531862      2.004770
  H      -6.349008     -3.878618      2.357274
  H      -4.784025      2.552341      2.921468
  H      -3.489410      1.452794      2.394397
  H      -2.739850     -0.507538      2.787619
  H      -3.290144     11.295776      0.661692
  H      -4.866654     10.741925      0.078087
  H      -3.403298     10.453235     -0.917518
  H      -4.825842     10.988236      2.469441
  H      -5.539494     10.586214      4.823081
  H      -3.612174      6.739612      6.773841
  H      -5.134363      5.908540      6.444003
  H      -3.344762      6.949071      2.245295
  H      -8.416304     -6.442075      6.146088
  H      -7.480617     -7.101672      4.765770
  H      -8.753961     -5.865869      4.507338
  H      -9.440629     -4.259127      6.105827
  H     -10.028695     -2.020596      7.029063
  H      -6.153556      0.627335      8.418820
  H      -6.601444      1.291171      6.843586
  H      -5.317555     -3.034020      5.831788
  N      -5.794472      3.301516      5.398470
  H      -6.751435      3.424007      5.055731
88
Coordinates from ORCA-job orca E -6506.764956489743
  N      -3.460326      2.008901      4.420435
  Mo     -4.219829      2.940432      5.977716
  N      -4.617590      1.635990      7.383421
  C      -3.567896      1.229231      8.327650
  C      -2.248348      1.124305      7.581272
  N      -2.088926      2.347803      6.756229
  C      -1.296141      2.108542      5.526111
  C      -2.151934      1.360022      4.521535
  C      -1.563519      3.481961      7.554482
  C      -2.039083      4.778667      6.936249
  N      -3.462539      4.650941      6.616991
  H      -1.648915      1.372937      3.540290
  H      -2.264984      0.300607      4.815009
  H      -1.022127      3.087764      5.109731
  H      -0.369890      1.556089      5.757000
  H      -1.888589      5.607642      7.648788
  H      -1.462594      5.030563      6.026414
  H      -1.978295      3.392871      8.567616
  H      -0.464455      3.435329      7.626977
  H      -3.813514      0.255386      8.775212
  H      -3.506446      1.960820      9.152261
  H      -2.306191      0.262635      6.906934
  H      -1.388358      0.997020      8.259806
  C      -1.409515     -4.235791      1.802439
  C      -1.798693     -2.834142      2.198112
  O      -0.954925     -1.958446      2.371059
  C      -3.252336     -2.525404      2.395115
  C      -4.265989     -3.489991      2.289678
  C      -5.596239     -3.138093      2.499081
  C      -5.909698     -1.830099      2.843964
  F      -7.207266     -1.537083      3.034653
  C      -4.923088     -0.825109      2.973184
  C      -5.249117      0.548370      3.431406
  O      -6.305511      0.807231      3.996556
  C      -4.221045      1.690713      3.212599
  C      -3.603545     -1.210589      2.711430
  C      -3.740609     10.495708      0.109123
  C      -3.531707      9.160336      0.779303
  O      -2.999463      8.225068      0.193239
  C      -3.995632      8.992792      2.199752
  C      -4.610500     10.026935      2.927209
  C      -5.019716      9.822360      4.241399
  C      -4.802608      8.581456      4.827531
  F      -5.226463      8.413079      6.102776
  C      -4.192437      7.515746      4.143287
  C      -3.927143      6.161051      4.707209
  O      -3.600537      5.235740      3.973091
  C      -4.062201      5.911668      6.218458
  C      -3.804570      7.755917      2.816889
  C      -7.853344     -6.250101      5.206053
  C      -6.823160     -5.158922      5.366246
  O      -5.648273     -5.341715      5.061556
  C      -7.268611     -3.831397      5.904025
  C      -8.611716     -3.550953      6.213149
  C      -8.977187     -2.302229      6.703633
  C      -7.994862     -1.335852      6.886298
  F      -8.393606     -0.136040      7.369883
  C      -6.641638     -1.562374      6.585132
  C      -5.530211     -0.569116      6.714301
  O      -4.410356     -0.850871      6.304869
  C      -5.795168      0.792444      7.372377
  C      -6.311721     -2.833299      6.093323
  H      -0.322886     -4.290353      1.680873
  H      -1.730020     -4.957300      2.570041
  H      -1.903116     -4.526895      0.862830
  H      -4.026505     -4.525536      2.048742
  H      -6.398301     -3.870702      2.416246
  H      -4.814374      2.566734      2.920440
  H      -3.528911      1.456447      2.391157
  H      -2.789803     -0.490671      2.772410
  H      -3.231266     11.296249      0.667344
  H      -4.810368     10.754174      0.079392
  H      -3.346257     10.452617     -0.911198
  H      -4.776989     11.002513      2.470180
  H      -5.507001     10.607201      4.820002
  H      -3.611656      6.747650      6.778039
  H      -5.138308      5.923062      6.453024
  H      -3.331817      6.950081      2.253993
  H      -8.336442     -6.476883      6.168706
  H      -7.367463     -7.151605      4.818889
  H      -8.649208     -5.935537      4.513289
  H      -9.383271     -4.307858      6.071834
  H     -10.011884     -2.061510      6.947693
  H      -6.165757      0.613438      8.399297
  H      -6.609408      1.286753      6.826854
  H      -5.269503     -3.041348      5.849199
  N      -5.811459      3.317023      5.407331
  H      -6.769491      3.439280      5.067621
88
Coordinates from ORCA-job orca E -6506.764974697084
  N      -3.468731      2.013152      4.417795
  Mo     -4.224649      2.945493      5.976312
  N      -4.620200      1.639052      7.380954
  C      -3.569564      1.232978      8.324479
  C      -2.249997      1.129067      7.577608
  N      -2.092476      2.352508      6.752059
  C      -1.302248      2.113607      5.520233
  C      -2.159799      1.364579      4.517511
  C      -1.565703      3.486322      7.549678
  C      -2.043192      4.783485      6.933892
  N      -3.467180      4.655625      6.616832
  H      -1.658068      1.377139      3.535574
  H      -2.272482      0.305298      4.811573
  H      -1.030102      3.093096      5.103179
  H      -0.375210      1.561733      5.749184
  H      -1.892075      5.611414      7.647550
  H      -1.468343      5.037186      6.023488
  H      -1.977878      3.396240      8.563804
  H      -0.466457      3.440134      7.619534
  H      -3.814396      0.258952      8.772242
  H      -3.508384      1.964554      9.149067
  H      -2.306913      0.266960      6.903907
  H      -1.389648      1.003477      8.256018
  C      -1.444396     -4.254721      1.836934
  C      -1.827652     -2.849860      2.227242
  O      -0.980465     -1.976236      2.394182
  C      -3.280716     -2.531703      2.413635
  C      -4.299661     -3.490408      2.304879
  C      -5.628844     -3.129923      2.505933
  C      -5.936019     -1.819585      2.847758
  F      -7.232592     -1.517745      3.031800
  C      -4.944114     -0.820356      2.978938
  C      -5.264137      0.555952      3.433299
  O      -6.319679      0.820635      3.997306
  C      -4.231586      1.694118      3.211117
  C      -3.625703     -1.213958      2.724179
  C      -3.721299     10.504134      0.113361
  C      -3.518973      9.166994      0.782121
  O      -2.988247      8.230606      0.196286
  C      -3.985693      8.999685      2.201790
  C      -4.597870     10.035322      2.929439
  C      -5.009841      9.830918      4.242841
  C      -4.798134      8.588586      4.827956
  F      -5.223675      8.420406      6.102682
  C      -4.190930      7.521458      4.143420
  C      -3.930913      6.165690      4.706826
  O      -3.607731      5.239426      3.972427
  C      -4.066634      5.916538      6.218175
  C      -3.800087      7.761472      2.817870
  C      -7.807411     -6.264675      5.195628
  C      -6.784709     -5.166380      5.355514
  O      -5.608931     -5.340665      5.049321
  C      -7.239155     -3.841582      5.892588
  C      -8.583811     -3.570618      6.203466
  C      -8.957745     -2.324316      6.693872
  C      -7.982065     -1.350959      6.875280
  F      -8.388402     -0.153933      7.359215
  C      -6.627752     -1.567784      6.571704
  C      -5.523442     -0.566212      6.698333
  O      -4.404595     -0.837276      6.278824
  C      -5.793997      0.790148      7.365118
  C      -6.289208     -2.836313      6.079596
  H      -0.357808     -4.314960      1.717473
  H      -1.769694     -4.971703      2.606746
  H      -1.937746     -4.546879      0.897458
  H      -4.065175     -4.527807      2.067122
  H      -6.435170     -3.857542      2.419764
  H      -4.822669      2.571126      2.917441
  H      -3.541387      1.455795      2.389178
  H      -2.808232     -0.498543      2.786389
  H      -3.210160     11.301945      0.673835
  H      -4.790020     10.766573      0.081546
  H      -3.324866     10.461066     -0.906172
  H      -4.759754     11.012055      2.473204
  H      -5.494899     10.617008      4.821614
  H      -3.615902      6.752598      6.777573
  H      -5.142729      5.928203      6.452638
  H      -3.329285      6.954554      2.254908
  H      -8.288928     -6.494395      6.158369
  H      -7.315513     -7.162877      4.808467
  H      -8.605521     -5.955646      4.502921
  H      -9.350065     -4.333152      6.063404
  H      -9.993895     -2.090833      6.938845
  H      -6.163590      0.603158      8.390944
  H      -6.610657      1.283878      6.822557
  H      -5.245919     -3.036643      5.833566
  N      -5.816871      3.322821      5.408634
  H      -6.775396      3.443753      5.069991
88
Coordinates from ORCA-job orca E -6506.764985783716
  N      -3.476238      2.015534      4.422619
  Mo     -4.229125      2.950759      5.980574
  N      -4.620465      1.645462      7.387901
  C      -3.568561      1.244837      8.332367
  C      -2.248598      1.140160      7.585805
  N      -2.094287      2.360330      6.754755
  C      -1.307591      2.117116      5.521492
  C      -2.168010      1.365236      4.523354
  C      -1.565850      3.496875      7.547072
  C      -2.047074      4.792148      6.930199
  N      -3.472115      4.662332      6.618177
  H      -1.667321      1.373331      3.540835
  H      -2.282743      0.307354      4.821608
  H      -1.036850      3.095294      5.100392
  H      -0.380052      1.565915      5.749813
  H      -1.894759      5.621404      7.642082
  H      -1.475547      5.045055      6.017506
  H      -1.973785      3.408963      8.563108
  H      -0.466282      3.452233      7.612880
  H      -3.811937      0.272351      8.784460
  H      -3.508385      1.979880      9.153879
  H      -2.302956      0.274576      6.916571
  H      -1.388031      1.020613      8.265045
  C      -1.489549     -4.285037      1.870760
  C      -1.862932     -2.875154      2.252782
  O      -1.008724     -2.010795      2.431837
  C      -3.314581     -2.542758      2.425253
  C      -4.342067     -3.490622      2.302145
  C      -5.669337     -3.118144      2.493396
  C      -5.966336     -1.806834      2.840608
  F      -7.260952     -1.492912      3.019031
  C      -4.966049     -0.817986      2.983110
  C      -5.276513      0.558878      3.443141
  O      -6.325637      0.826218      4.017501
  C      -4.239914      1.693199      3.217483
  C      -3.649170     -1.223017      2.738533
  C      -3.704709     10.506977      0.112623
  C      -3.506045      9.169615      0.782014
  O      -2.975390      8.232203      0.197661
  C      -3.977644      9.002906      2.200222
  C      -4.590427     10.039525      2.926006
  C      -5.007238      9.835754      4.238014
  C      -4.799535      8.592957      4.823595
  F      -5.229371      8.425105      6.096949
  C      -4.191713      7.525056      4.140958
  C      -3.934918      6.169420      4.705878
  O      -3.615958      5.241040      3.972380
  C      -4.072499      5.922261      6.217535
  C      -3.796121      7.764300      2.816693
  C      -7.757449     -6.267608      5.161799
  C      -6.742018     -5.163226      5.326394
  O      -5.566016     -5.327100      5.015430
  C      -7.204003     -3.845298      5.874026
  C      -8.549379     -3.585932      6.191513
  C      -8.930722     -2.345419      6.691109
  C      -7.961313     -1.366350      6.875348
  F      -8.373628     -0.175101      7.368222
  C      -6.606683     -1.571734      6.565534
  C      -5.509810     -0.562243      6.693694
  O      -4.391180     -0.822012      6.266430
  C      -5.788501      0.788612      7.368569
  C      -6.260458     -2.834373      6.063876
  H      -0.402285     -4.356925      1.764805
  H      -1.831896     -4.996449      2.638334
  H      -1.974355     -4.574327      0.925974
  H      -4.115674     -4.529067      2.061166
  H      -6.482388     -3.837058      2.396673
  H      -4.829639      2.570166      2.920456
  H      -3.551069      1.450711      2.395825
  H      -2.825335     -0.516227      2.812777
  H      -3.194122     11.304100      0.674534
  H      -4.773013     10.770723      0.077636
  H      -3.305395     10.463447     -0.905770
  H      -4.748829     11.016614      2.469324
  H      -5.492880     10.622583      4.815292
  H      -3.622880      6.759523      6.776108
  H      -5.148762      5.933060      6.451008
  H      -3.324697      6.956699      2.255233
  H      -8.235618     -6.506463      6.123977
  H      -7.260351     -7.159979      4.767863
  H      -8.559014     -5.959597      4.472584
  H      -9.310545     -4.353121      6.048988
  H      -9.967709     -2.120853      6.940792
  H      -6.156050      0.593376      8.393495
  H      -6.609053      1.279409      6.828894
  H      -5.216741     -3.025243      5.812249
  N      -5.821933      3.328104      5.415245
  H      -6.781080      3.447146      5.077734
88
Coordinates from ORCA-job orca E -6506.764994436982
  N      -3.482107      2.014335      4.428593
  Mo     -4.232178      2.951585      5.986399
  N      -4.619956      1.647803      7.396444
  C      -3.566334      1.250938      8.340546
  C      -2.246769      1.145290      7.592932
  N      -2.095046      2.363353      6.758212
  C      -1.311423      2.117765      5.523502
  C      -2.173957      1.363569      4.528993
  C      -1.565293      3.501911      7.546672
  C      -2.049064      4.795593      6.928521
  N      -3.474951      4.664338      6.620735
  H      -1.674764      1.368961      3.545683
  H      -2.289378      0.306735      4.830433
  H      -1.042196      3.095183      5.099646
  H      -0.383073      1.567430      5.750604
  H      -1.895480      5.626379      7.638344
  H      -1.480209      5.047080      6.013794
  H      -1.970268      3.415712      8.564021
  H      -0.465492      3.458348      7.609509
  H      -3.808612      0.279946      8.796505
  H      -3.505494      1.988801      9.159447
  H      -2.299925      0.277418      6.926664
  H      -1.385552      1.029704      8.272039
  C      -1.493323     -4.283542      1.859728
  C      -1.866986     -2.875886      2.249422
  O      -1.012985     -2.012195      2.432751
  C      -3.319026     -2.543271      2.418290
  C      -4.346730     -3.489517      2.285366
  C      -5.674291     -3.117816      2.476223
  C      -5.971395     -1.808835      2.832313
  F      -7.266035     -1.495676      3.012438
  C      -4.970985     -0.821437      2.982842
  C      -5.281047      0.552380      3.451898
  O      -6.327863      0.815489      4.032249
  C      -4.246750      1.688919      3.225257
  C      -3.653664     -1.225374      2.739235
  C      -3.693517     10.502163      0.110620
  C      -3.497392      9.165251      0.781520
  O      -2.964838      8.227407      0.199633
  C      -3.973521      8.999635      2.198343
  C      -4.588471     10.036875      2.921397
  C      -5.009737      9.834144      4.232143
  C      -4.803983      8.591796      4.819312
  F      -5.238752      8.424528      6.091057
  C      -4.193961      7.523368      4.139451
  C      -3.939064      6.168208      4.706388
  O      -3.621615      5.238251      3.974277
  C      -4.076411      5.923319      6.218559
  C      -3.794222      7.761416      2.816229
  C      -7.750749     -6.265195      5.157517
  C      -6.735399     -5.161393      5.326343
  O      -5.558592     -5.325480      5.018649
  C      -7.198293     -3.844065      5.874679
  C      -8.544073     -3.585254      6.190612
  C      -8.926389     -2.345343      6.691029
  C      -7.957427     -1.366328      6.877561
  F      -8.370544     -0.175619      7.370932
  C      -6.602258     -1.571151      6.569452
  C      -5.505892     -0.561319      6.700663
  O      -4.386518     -0.820292      6.274919
  C      -5.785927      0.788244      7.377635
  C      -6.255102     -2.833117      6.066688
  H      -0.405968     -4.354901      1.754753
  H      -1.836722     -4.999293      2.622735
  H      -1.976989     -4.567236      0.912684
  H      -4.120166     -4.526427      2.038037
  H      -6.487607     -3.835576      2.372788
  H      -4.838717      2.564360      2.927716
  H      -3.558224      1.446824      2.403297
  H      -2.829675     -0.519577      2.821560
  H      -3.184699     11.299546      0.673757
  H      -4.761653     10.766087      0.071794
  H      -3.290729     10.457894     -0.906363
  H      -4.745214     11.013628      2.463447
  H      -5.497428     10.621356      4.807176
  H      -3.627510      6.761642      6.776026
  H      -5.152709      5.933206      6.451893
  H      -3.321133      6.953356      2.256826
  H      -8.231948     -6.505022      6.117941
  H      -7.252867     -7.157325      4.763969
  H      -8.550090     -5.955991      4.466235
  H      -9.304796     -4.352569      6.046364
  H      -9.963750     -2.121281      6.939521
  H      -6.152030      0.591040      8.402645
  H      -6.608125      1.277841      6.839215
  H      -5.210973     -3.023601      5.816398
  N      -5.825808      3.327995      5.422980
  H      -6.785585      3.445039      5.086487
88
Coordinates from ORCA-job orca E -6506.764999442376
  N      -3.485570      2.013788      4.429335
  Mo     -4.232957      2.951901      5.987711
  N      -4.618270      1.648310      7.398801
  C      -3.563300      1.253406      8.342126
  C      -2.244199      1.147438      7.593407
  N      -2.094315      2.364675      6.757014
  C      -1.313252      2.118331      5.520924
  C      -2.177326      1.362750      4.528878
  C      -1.563495      3.504199      7.543494
  C      -2.048972      4.797171      6.925246
  N      -3.475474      4.665104      6.620580
  H      -1.679556      1.366846      3.544831
  H      -2.292900      0.306575      4.832276
  H      -1.045411      3.095509      5.095614
  H      -0.384080      1.568656      5.746330
  H      -1.894344      5.628736      7.633938
  H      -1.482057      5.048065      6.009158
  H      -1.966438      3.418512      8.561670
  H      -0.463540      3.461303      7.604135
  H      -3.804873      0.283415      8.800584
  H      -3.501442      1.992949      9.159441
  H      -2.296443      0.278449      6.928550
  H      -1.382498      1.034096      8.272274
  C      -1.502609     -4.287688      1.871411
  C      -1.875716     -2.878530      2.255901
  O      -1.021203     -2.015290      2.439026
  C      -3.327743     -2.544118      2.421390
  C      -4.356265     -3.489084      2.286357
  C      -5.683783     -3.115870      2.474684
  C      -5.979948     -1.806758      2.831017
  F      -7.274517     -1.492112      3.009277
  C      -4.978628     -0.820588      2.983447
  C      -5.287132      0.553219      3.453250
  O      -6.334156      0.817350      4.032699
  C      -4.251166      1.688446      3.226767
  C      -3.661423     -1.225819      2.741769
  C      -3.687875     10.503633      0.112423
  C      -3.493461      9.166352      0.783019
  O      -2.960802      8.228437      0.201419
  C      -3.971464      9.000462      2.199154
  C      -4.586467     10.037843      2.921950
  C      -5.009489      9.834867      4.232090
  C      -4.805354      8.592125      4.818945
  F      -5.241822      8.424320      6.090016
  C      -4.195397      7.523541      4.139297
  C      -3.942485      6.168014      4.706129
  O      -3.626948      5.237428      3.973968
  C      -4.078233      5.923563      6.218565
  C      -3.793917      7.761768      2.816648
  C      -7.739288     -6.266127      5.151030
  C      -6.724656     -5.162483      5.325035
  O      -5.546275     -5.326954      5.023645
  C      -7.190030     -3.845288      5.871490
  C      -8.536812     -3.587413      6.183680
  C      -8.921383     -2.347725      6.682908
  C      -7.953738     -1.367896      6.871729
  F      -8.369334     -0.177631      7.363908
  C      -6.597485     -1.571643      6.567126
  C      -5.501881     -0.561209      6.701222
  O      -4.381560     -0.819455      6.277494
  C      -5.783048      0.787326      7.379629
  C      -6.248143     -2.833527      6.065685
  H      -0.415108     -4.360331      1.768796
  H      -1.848044     -5.000663      2.636134
  H      -1.984656     -4.574071      0.924365
  H      -4.130298     -4.526182      2.039310
  H      -6.497827     -3.832528      2.369159
  H      -4.842020      2.564587      2.928987
  H      -3.562919      1.444677      2.405057
  H      -2.836870     -0.520769      2.825453
  H      -3.179385     11.300499      0.676573
  H      -4.755808     10.768199      0.072256
  H      -3.283746     10.459516     -0.904037
  H      -4.741932     11.014901      2.464222
  H      -5.497363     10.622176      4.806847
  H      -3.629756      6.762298      6.775686
  H      -5.154430      5.932302      6.452421
  H      -3.320886      6.953575      2.257384
  H      -8.224830     -6.506610      6.109102
  H      -7.239606     -7.158044      4.759277
  H      -8.535499     -5.956497      4.456332
  H      -9.296521     -4.355405      6.037749
  H      -9.959554     -2.124495      6.928730
  H      -6.148698      0.588576      8.404549
  H      -6.605928      1.276477      6.841916
  H      -5.203180     -3.023373      5.818357
  N      -5.827415      3.326835      5.425725
  H      -6.787734      3.441167      5.089872
88
Coordinates from ORCA-job orca E -6506.765003504185
  N      -3.487479      2.013021      4.430996
  Mo     -4.232924      2.951553      5.989810
  N      -4.614640      1.648385      7.402491
  C      -3.558079      1.256631      8.345090
  C      -2.239435      1.150921      7.595360
  N      -2.092250      2.367082      6.756752
  C      -1.313638      2.119963      5.519390
  C      -2.178857      1.362182      4.530119
  C      -1.561175      3.508347      7.540706
  C      -2.049279      4.799914      6.921628
  N      -3.476381      4.665959      6.620490
  H      -1.682495      1.364634      3.545377
  H      -2.294242      0.306769      4.836059
  H      -1.047682      3.096864      5.092238
  H      -0.383304      1.571527      5.743153
  H      -1.893923      5.632890      7.628505
  H      -1.484606      5.049875      6.003903
  H      -1.962087      3.423392      8.559721
  H      -0.461047      3.466906      7.599144
  H      -3.798346      0.287863      8.806799
  H      -3.495444      1.998479      9.160300
  H      -2.289779      0.280425      6.932342
  H      -1.377313      1.040863      8.274211
  C      -1.512216     -4.295286      1.886362
  C      -1.883781     -2.884164      2.264883
  O      -1.028082     -2.022359      2.449235
  C      -3.335655     -2.546495      2.425171
  C      -4.365850     -3.488813      2.285099
  C      -5.693245     -3.112726      2.468777
  C      -5.987577     -1.803583      2.826189
  F      -7.282021     -1.486047      3.000329
  C      -4.984570     -0.819920      2.983373
  C      -5.291071      0.553763      3.454751
  O      -6.338186      0.818679      4.033597
  C      -4.253479      1.687679      3.228894
  C      -3.667430     -1.227737      2.745841
  C      -3.683696     10.503558      0.113264
  C      -3.489560      9.166457      0.784306
  O      -2.956097      8.228602      0.203363
  C      -3.970559      9.000124      2.199348
  C      -4.586988     10.037279      2.921228
  C      -5.012642      9.833958      4.230464
  C      -4.809685      8.591062      4.817356
  F      -5.248730      8.422579      6.087426
  C      -4.198492      7.522658      4.138535
  C      -3.947053      6.167045      4.705647
  O      -3.632802      5.235804      3.973726
  C      -4.081451      5.923270      6.218333
  C      -3.794402      7.761147      2.816752
  C      -7.732465     -6.261890      5.135091
  C      -6.717212     -5.160077      5.316976
  O      -5.538206     -5.324459      5.017953
  C      -7.183160     -3.844398      5.866445
  C      -8.529950     -3.588109      6.179799
  C      -8.914954     -2.350020      6.682675
  C      -7.947847     -1.370103      6.873588
  F      -8.363992     -0.181623      7.369497
  C      -6.591601     -1.572098      6.567507
  C      -5.496308     -0.561632      6.704016
  O      -4.375733     -0.818715      6.280227
  C      -5.778143      0.785866      7.383960
  C      -6.241849     -2.832485      6.062677
  H      -0.424472     -4.370491      1.788092
  H      -1.861935     -5.004945      2.652275
  H      -1.991178     -4.584057      0.938484
  H      -4.141178     -4.526063      2.037549
  H      -6.508657     -3.827172      2.358846
  H      -4.843147      2.564449      2.930542
  H      -3.565211      1.442163      2.407697
  H      -2.841681     -0.524511      2.833214
  H      -3.176718     11.300837      0.678186
  H      -4.751734     10.767442      0.071279
  H      -3.277843     10.459573     -0.902517
  H      -4.741555     11.014460      2.463452
  H      -5.501732     10.621104      4.804410
  H      -3.634410      6.762853      6.775265
  H      -5.157668      5.929787      6.452196
  H      -3.320411      6.953082      2.258114
  H      -8.220197     -6.507144      6.090837
  H      -7.232620     -7.152177      4.739858
  H      -8.526988     -5.947974      4.440389
  H      -9.289260     -4.356206      6.032395
  H      -9.953092     -2.128199      6.929912
  H      -6.142101      0.585312      8.409200
  H      -6.602480      1.274539      6.848142
  H      -5.196872     -3.021112      5.814437
  N      -5.828551      3.323045      5.428888
  H      -6.789529      3.432658      5.093355
88
Coordinates from ORCA-job orca E -6506.765006723774
  N      -3.491230      2.013846      4.432617
  Mo     -4.234540      2.952596      5.992185
  N      -4.612927      1.649073      7.405664
  C      -3.554755      1.259208      8.346952
  C      -2.236849      1.154436      7.595818
  N      -2.092153      2.370299      6.756256
  C      -1.315746      2.123351      5.517556
  C      -2.181978      1.363896      4.530468
  C      -1.560838      3.512522      7.538774
  C      -2.051235      4.803305      6.919914
  N      -3.478794      4.667902      6.621541
  H      -1.687239      1.365469      3.544946
  H      -2.296401      0.308896      4.838154
  H      -1.051675      3.100271      5.089246
  H      -0.384253      1.576105      5.739533
  H      -1.895257      5.636969      7.625852
  H      -1.488401      5.053161      6.001022
  H      -1.959987      3.427570      8.558475
  H      -0.460575      3.472188      7.595277
  H      -3.793579      0.290912      8.810409
  H      -3.491316      2.002121      9.161177
  H      -2.286102      0.283347      6.933509
  H      -1.374080      1.046253      8.274133
  C      -1.528997     -4.303532      1.900017
  C      -1.897347     -2.890496      2.274443
  O      -1.039554     -2.030932      2.459346
  C      -3.348591     -2.548373      2.430889
  C      -4.381248     -3.487407      2.287309
  C      -5.708043     -3.107283      2.467105
  C      -5.999333     -1.797547      2.824504
  F      -7.293278     -1.476216      2.995264
  C      -4.993833     -0.816983      2.985002
  C      -5.297545      0.557214      3.456733
  O      -6.344193      0.823605      4.035777
  C      -4.257840      1.689054      3.230902
  C      -3.677220     -1.228700      2.751186
  C      -3.673853     10.502796      0.114052
  C      -3.483758      9.165103      0.785101
  O      -2.947900      8.227422      0.206112
  C      -3.967627      8.999387      2.199209
  C      -4.584154     10.037301      2.919874
  C      -5.012588      9.834605      4.228306
  C      -4.812187      8.591530      4.815663
  F      -5.253840      8.423406      6.084847
  C      -4.201031      7.522362      4.138002
  C      -3.952400      6.166684      4.705932
  O      -3.640499      5.234172      3.974542
  C      -4.085464      5.924290      6.218967
  C      -3.794161      7.760172      2.816976
  C      -7.714899     -6.262505      5.122527
  C      -6.701344     -5.159966      5.309450
  O      -5.520837     -5.323436      5.015867
  C      -7.170326     -3.845946      5.860206
  C      -8.517839     -3.592747      6.173075
  C      -8.905459     -2.356282      6.677935
  C      -7.940370     -1.374854      6.871172
  F      -8.359041     -0.188139      7.369131
  C      -6.583629     -1.573593      6.565227
  C      -5.490346     -0.561345      6.703802
  O      -4.369374     -0.815249      6.279136
  C      -5.774572      0.784205      7.386438
  C      -6.231193     -2.832458      6.058524
  H      -0.441212     -4.382123      1.804676
  H      -1.882738     -5.010314      2.666799
  H      -2.006290     -4.593363      0.951626
  H      -4.158932     -4.525256      2.040223
  H      -6.525400     -3.819060      2.354193
  H      -4.845691      2.566795      2.931690
  H      -3.569972      1.441238      2.410081
  H      -2.849603     -0.528062      2.841592
  H      -3.167810     11.299224      0.681033
  H      -4.741397     10.768068      0.068634
  H      -3.264634     10.458744     -0.900375
  H      -4.736719     11.014626      2.461734
  H      -5.501920     10.622373      4.801184
  H      -3.639194      6.764651      6.775300
  H      -5.161664      5.929488      6.453024
  H      -3.320184      6.951500      2.259210
  H      -8.204876     -6.510607      6.076391
  H      -7.212918     -7.151366      4.726794
  H      -8.507939     -5.947929      4.426446
  H      -9.275611     -4.362017      6.023961
  H      -9.944152     -2.136953      6.925082
  H      -6.137138      0.580544      8.411607
  H      -6.600563      1.272327      6.852723
  H      -5.185717     -3.018622      5.810532
  N      -5.831454      3.320592      5.432548
  H      -6.793010      3.424967      5.097004
88
Coordinates from ORCA-job orca E -6506.765009591051
  N      -3.492508      2.014859      4.433409
  Mo     -4.235034      2.953437      5.993487
  N      -4.611964      1.649305      7.406927
  C      -3.552992      1.259690      8.347252
  C      -2.235554      1.155946      7.595258
  N      -2.092016      2.372194      6.756051
  C      -1.316253      2.126154      5.516798
  C      -2.182585      1.366143      4.530183
  C      -1.560925      3.514479      7.538686
  C      -2.052294      4.805190      6.920465
  N      -3.479919      4.669138      6.622760
  H      -1.688679      1.367962      3.544267
  H      -2.295764      0.311057      4.838098
  H      -1.053169      3.103345      5.088482
  H      -0.384132      1.579615      5.737926
  H      -1.896267      5.638805      7.626456
  H      -1.489967      5.055533      6.001373
  H      -1.959635      3.429007      8.558524
  H      -0.460627      3.474600      7.594676
  H      -3.790934      0.291164      8.810700
  H      -3.489189      2.002385      9.161675
  H      -2.284590      0.285149      6.932567
  H      -1.372361      1.047852      8.273063
  C      -1.538473     -4.308428      1.908290
  C      -1.904512     -2.894496      2.281706
  O      -1.045240     -2.036684      2.467815
  C      -3.355320     -2.549257      2.435184
  C      -4.389658     -3.486025      2.288922
  C      -5.716029     -3.103031      2.465748
  C      -6.005288     -1.792811      2.822916
  F      -7.298940     -1.468893      2.990991
  C      -4.998087     -0.814396      2.985904
  C      -5.300278      0.560328      3.457194
  O      -6.347090      0.827788      4.035548
  C      -4.259238      1.690755      3.231563
  C      -3.681835     -1.228942      2.755041
  C      -3.671232     10.500669      0.113216
  C      -3.480796      9.163579      0.785415
  O      -2.946258      8.225021      0.206596
  C      -3.965810      8.998524      2.199197
  C      -4.581625     10.037209      2.919344
  C      -5.010966      9.835270      4.227610
  C      -4.812218      8.592095      4.815292
  F      -5.254645      8.424573      6.084270
  C      -4.201945      7.522129      4.138078
  C      -3.955114      6.166486      4.706623
  O      -3.645786      5.232874      3.975480
  C      -4.087252      5.925096      6.219898
  C      -3.794118      7.759177      2.817227
  C      -7.705773     -6.262740      5.114873
  C      -6.692810     -5.160431      5.306433
  O      -5.511859     -5.322686      5.013978
  C      -7.163600     -3.847123      5.857334
  C      -8.511519     -3.595602      6.169991
  C      -8.900561     -2.359920      6.675685
  C      -7.936615     -1.377528      6.869822
  F      -8.356643     -0.191660      7.368701
  C      -6.579676     -1.574463      6.563772
  C      -5.487563     -0.561129      6.702835
  O      -4.366616     -0.813174      6.276995
  C      -5.772810      0.783312      7.387237
  C      -6.225746     -2.832627      6.056337
  H      -0.450664     -4.389378      1.815146
  H      -1.895333     -5.014187      2.674580
  H      -2.014405     -4.597676      0.959038
  H      -4.169011     -4.524343      2.042373
  H      -6.534697     -3.812997      2.350772
  H      -4.845611      2.569224      2.931528
  H      -3.571524      1.441432      2.411073
  H      -2.852895     -0.530207      2.847907
  H      -3.164828     11.297594      0.679170
  H      -4.738777     10.766022      0.068195
  H      -3.262563     10.455650     -0.901388
  H      -4.732877     11.014626      2.460963
  H      -5.499733     10.623708      4.800041
  H      -3.641155      6.765864      6.775735
  H      -5.163426      5.929918      6.454208
  H      -3.320735      6.949908      2.259828
  H      -8.196797     -6.513997      6.067373
  H      -7.202933     -7.150256      4.717211
  H      -8.498088     -5.946358      4.418790
  H      -9.268465     -4.365541      6.020150
  H      -9.939543     -2.141945      6.922831
  H      -6.134370      0.577689      8.412393
  H      -6.599818      1.271522      6.855212
  H      -5.180016     -3.017427      5.808376
  N      -5.832731      3.318799      5.434191
  H      -6.794465      3.418989      5.097904
88
Coordinates from ORCA-job orca E -6506.765012899199
  N      -3.490560      2.014898      4.433915
  Mo     -4.234044      2.953121      5.993946
  N      -4.610005      1.649116      7.407794
  C      -3.550607      1.259927      8.347756
  C      -2.233355      1.157251      7.595403
  N      -2.090695      2.373662      6.756340
  C      -1.314260      2.128362      5.517364
  C      -2.179802      1.367879      4.530372
  C      -1.560742      3.516322      7.539240
  C      -2.052865      4.806711      6.920930
  N      -3.480259      4.669622      6.622806
  H      -1.686040      1.370253      3.544393
  H      -2.291431      0.312477      4.837957
  H      -1.051665      3.105785      5.089274
  H      -0.381865      1.582453      5.738829
  H      -1.897469      5.640418      7.626957
  H      -1.490370      5.057453      6.002013
  H      -1.959896      3.430577      8.558895
  H      -0.460457      3.477069      7.595738
  H      -3.787598      0.290974      8.810814
  H      -3.487142      2.002251      9.162553
  H      -2.282222      0.286643      6.932458
  H      -1.369852      1.049181      8.272849
  C      -1.539872     -4.312944      1.913270
  C      -1.904482     -2.898680      2.287018
  O      -1.044244     -2.042532      2.476385
  C      -3.355131     -2.551073      2.436562
  C      -4.390708     -3.485841      2.285834
  C      -5.716879     -3.100751      2.459464
  C      -6.004839     -1.790558      2.817886
  F      -7.298358     -1.464657      2.983146
  C      -4.996443     -0.814096      2.984808
  C      -5.298027      0.560652      3.456625
  O      -6.345184      0.828083      4.034459
  C      -4.256634      1.690618      3.231500
  C      -3.680298     -1.230633      2.757119
  C      -3.673093     10.499338      0.112279
  C      -3.481769      9.162599      0.784981
  O      -2.946385      8.224196      0.206592
  C      -3.967243      8.997584      2.198633
  C      -4.583196     10.036337      2.918564
  C      -5.012863      9.834538      4.226771
  C      -4.814328      8.591394      4.814569
  F      -5.257030      8.423951      6.083458
  C      -4.204001      7.521347      4.137514
  C      -3.957381      6.165863      4.706370
  O      -3.648574      5.231941      3.975391
  C      -4.088662      5.924999      6.219796
  C      -3.795799      7.758258      2.816762
  C      -7.709207     -6.258468      5.106282
  C      -6.695327     -5.157426      5.300427
  O      -5.514918     -5.319249      5.005569
  C      -7.164700     -3.845530      5.855894
  C      -8.511780     -3.594827      6.173020
  C      -8.899358     -2.360495      6.683121
  C      -7.934878     -1.378522      6.876997
  F      -8.353391     -0.193950      7.380327
  C      -6.578871     -1.574647      6.566564
  C      -5.486391     -0.561675      6.704904
  O      -4.365960     -0.813805      6.277826
  C      -5.770852      0.782843      7.389629
  C      -6.226328     -2.831533      6.054935
  H      -0.451904     -4.395973      1.823910
  H      -1.900961     -5.018744      2.677526
  H      -2.012905     -4.600313      0.961989
  H      -4.171188     -4.524205      2.038498
  H      -6.536479     -3.809151      2.341394
  H      -4.842160      2.569211      2.930184
  H      -3.568548      1.440510      2.411525
  H      -2.850408     -0.533529      2.853576
  H      -3.167096     11.296790      0.677861
  H      -4.740800     10.764038      0.067305
  H      -3.264486     10.454197     -0.902345
  H      -4.734239     11.013753      2.460111
  H      -5.501678     10.623093      4.798996
  H      -3.643087      6.766273      6.775265
  H      -5.164806      5.929140      6.454393
  H      -3.322273      6.948952      2.259542
  H      -8.197880     -6.513872      6.058903
  H      -7.207644     -7.144408      4.703530
  H      -8.503189     -5.938714      4.413666
  H      -9.269241     -4.364281      6.023232
  H      -9.937621     -2.143205      6.933892
  H      -6.130447      0.576799      8.415398
  H      -6.599032      1.271227      6.859631
  H      -5.181281     -3.015662      5.803546
  N      -5.832373      3.315121      5.434102
  H      -6.794056      3.410384      5.096262
88
Coordinates from ORCA-job orca E -6506.765017423930
  N      -3.491050      2.016172      4.434987
  Mo     -4.233877      2.954413      5.995614
  N      -4.608627      1.649923      7.409369
  C      -3.548313      1.260210      8.348144
  C      -2.231682      1.158661      7.594525
  N      -2.090073      2.375591      6.756150
  C      -1.313842      2.131376      5.516804
  C      -2.179428      1.370904      4.529788
  C      -1.560355      3.517991      7.539653
  C      -2.053234      4.808702      6.922604
  N      -3.480554      4.671186      6.624616
  H      -1.686585      1.374234      3.543353
  H      -2.289205      0.315034      4.836631
  H      -1.051924      3.109188      5.089167
  H      -0.381194      1.585800      5.737910
  H      -1.897943      5.641756      7.629440
  H      -1.490965      5.060604      6.003832
  H      -1.959206      3.431443      8.559372
  H      -0.460056      3.478956      7.595901
  H      -3.784243      0.290402      8.809979
  H      -3.484759      2.001376      9.163968
  H      -2.281405      0.288622      6.930881
  H      -1.367362      1.049915      8.270829
  C      -1.549937     -4.318889      1.923563
  C      -1.911999     -2.903844      2.296887
  O      -1.050159     -2.050067      2.489553
  C      -3.362240     -2.552367      2.441246
  C      -4.399856     -3.484213      2.285982
  C      -5.725486     -3.095772      2.455927
  C      -6.011085     -1.785285      2.815376
  F      -7.304147     -1.456327      2.977953
  C      -5.000646     -0.811660      2.985968
  C      -5.300272      0.563477      3.458025
  O      -6.347269      0.831906      4.035763
  C      -4.257418      1.691855      3.232579
  C      -3.684951     -1.231419      2.761901
  C      -3.672348     10.495883      0.110661
  C      -3.480935      9.159778      0.784575
  O      -2.944928      8.221034      0.207313
  C      -3.966978      8.995824      2.198181
  C      -4.582401     10.035412      2.917348
  C      -5.012591      9.834688      4.225564
  C      -4.815083      8.591742      4.814114
  F      -5.258449      8.425221      6.082880
  C      -4.205323      7.520897      4.137802
  C      -3.959769      6.165685      4.707655
  O      -3.652941      5.230679      3.977204
  C      -4.089419      5.926263      6.221464
  C      -3.796601      7.756720      2.817027
  C      -7.700507     -6.257385      5.096975
  C      -6.687332     -5.156330      5.294532
  O      -5.506384     -5.317283      5.001373
  C      -7.158067     -3.845413      5.851194
  C      -8.505401     -3.596331      6.168699
  C      -8.894108     -2.363117      6.680610
  C      -7.930513     -1.380501      6.875768
  F      -8.349903     -0.196987      7.380839
  C      -6.574429     -1.574906      6.564808
  C      -5.482990     -0.560959      6.704268
  O      -4.362541     -0.811216      6.276207
  C      -5.768501      0.782182      7.391373
  C      -6.220655     -2.830751      6.051377
  H      -0.461859     -4.405128      1.838691
  H      -1.916440     -5.024068      2.685807
  H      -2.019801     -4.604073      0.970043
  H      -4.182383     -4.522889      2.038223
  H      -6.546665     -3.801830      2.334626
  H      -4.841273      2.571087      2.929719
  H      -3.569628      1.439838      2.412951
  H      -2.853526     -0.536632      2.861963
  H      -3.166128     11.293800      0.675401
  H      -4.740047     10.760587      0.065691
  H      -3.263930     10.449837     -0.904000
  H      -4.732580     11.012683      2.458301
  H      -5.501033     10.623947      4.797131
  H      -3.643346      6.768002      6.775780
  H      -5.165349      5.930655      6.457172
  H      -3.323448      6.946791      2.260399
  H      -8.189193     -6.515558      6.048860
  H      -7.198278     -7.142000      4.692155
  H      -8.494586     -5.936325      4.405094
  H      -9.262219     -4.366249      6.017989
  H      -9.932538     -2.147161      6.931837
  H      -6.126165      0.573832      8.417341
  H      -6.598211      1.270575      6.863765
  H      -5.175436     -3.013560      5.799772
  N      -5.833106      3.313374      5.436334
  H      -6.794754      3.402269      5.096640
88
Coordinates from ORCA-job orca E -6506.765021203199
  N      -3.489905      2.016809      4.435830
  Mo     -4.232175      2.955254      5.996878
  N      -4.605798      1.650504      7.410687
  C      -3.544544      1.260658      8.348542
  C      -2.228366      1.159994      7.593801
  N      -2.087855      2.377188      6.755711
  C      -1.311900      2.133727      5.516020
  C      -2.177542      1.373009      4.529245
  C      -1.558353      3.519570      7.539509
  C      -2.052220      4.810459      6.923588
  N      -3.479541      4.672303      6.626103
  H      -1.685500      1.377236      3.542395
  H      -2.285753      0.316802      4.835536
  H      -1.050711      3.111839      5.088612
  H      -0.379001      1.588511      5.736856
  H      -1.897074      5.642945      7.631134
  H      -1.490422      5.063482      6.004818
  H      -1.956657      3.432316      8.559384
  H      -0.458015      3.480974      7.595300
  H      -3.779493      0.290223      8.809560
  H      -3.481052      2.001063      9.165026
  H      -2.278753      0.290190      6.929894
  H      -1.363306      1.051143      8.269134
  C      -1.558891     -4.326394      1.938396
  C      -1.918527     -2.910134      2.309431
  O      -1.055133     -2.058854      2.506274
  C      -3.368434     -2.554363      2.446633
  C      -4.408105     -3.482996      2.285730
  C      -5.733278     -3.090942      2.450696
  C      -6.016599     -1.780165      2.811089
  F      -7.309288     -1.447858      2.969904
  C      -5.004083     -0.809607      2.986275
  C      -5.301464      0.565879      3.458802
  O      -6.348406      0.835714      4.035965
  C      -4.256510      1.692347      3.233530
  C      -3.688724     -1.232794      2.767051
  C      -3.675867     10.492795      0.109396
  C      -3.484050      9.157118      0.783984
  O      -2.947523      8.218274      0.207357
  C      -3.969324      8.994024      2.197976
  C      -4.583808     10.034239      2.917059
  C      -5.013252      9.834350      4.225657
  C      -4.815959      8.591577      4.814633
  F      -5.258582      8.425758      6.083745
  C      -4.207150      7.520152      4.138400
  C      -3.961959      6.165171      4.708866
  O      -3.656877      5.229364      3.978699
  C      -4.089321      5.926938      6.223069
  C      -3.799120      7.755129      2.817264
  C      -7.694911     -6.254364      5.085807
  C      -6.681866     -5.153901      5.287207
  O      -5.500283     -5.314865      4.996633
  C      -7.153273     -3.843864      5.845438
  C      -8.500749     -3.595731      6.162990
  C      -8.890060     -2.363527      6.676889
  C      -7.926867     -1.380856      6.873825
  F      -8.346748     -0.198406      7.380898
  C      -6.570646     -1.574240      6.562688
  C      -5.479446     -0.560171      6.704024
  O      -4.358889     -0.809657      6.275820
  C      -5.765041      0.781827      7.393358
  C      -6.216259     -2.829153      6.047368
  H      -0.470637     -4.416302      1.859953
  H      -1.932349     -5.030206      2.698508
  H      -2.024064     -4.609926      0.982085
  H      -4.192627     -4.521967      2.037484
  H      -6.556088     -3.794372      2.325050
  H      -4.838472      2.572384      2.929179
  H      -3.568784      1.438220      2.414508
  H      -2.855816     -0.540387      2.871344
  H      -3.168873     11.290919      0.673156
  H      -4.743549     10.757678      0.065285
  H      -3.268386     10.446081     -0.905612
  H      -4.733770     11.011370      2.457649
  H      -5.500940     10.624137      4.797141
  H      -3.642734      6.769243      6.776100
  H      -5.164925      5.931277      6.460347
  H      -3.326681      6.944730      2.260711
  H      -8.184095     -6.514990      6.036795
  H      -7.192398     -7.137953      4.679103
  H      -8.488665     -5.931574      4.394387
  H      -9.257260     -4.365707      6.010994
  H      -9.928602     -2.148401      6.928356
  H      -6.120735      0.571657      8.419641
  H      -6.596007      1.270431      6.867947
  H      -5.170897     -3.011198      5.795804
  N      -5.832202      3.310947      5.437858
  H      -6.793599      3.392376      5.095576
88
Coordinates from ORCA-job orca E -6506.765024144325
  N      -3.488672      2.017249      4.437201
  Mo     -4.229933      2.956427      5.998502
  N      -4.602891      1.651596      7.412364
  C      -3.540960      1.261796      8.349662
  C      -2.225093      1.161272      7.594124
  N      -2.085216      2.378379      6.755857
  C      -1.309904      2.134939      5.515751
  C      -2.176029      1.373888      4.529703
  C      -1.555381      3.520793      7.539505
  C      -2.050033      4.811845      6.924534
  N      -3.477549      4.673425      6.628084
  H      -1.684670      1.378415      3.542495
  H      -2.283626      0.317646      4.836028
  H      -1.049240      3.113108      5.088150
  H      -0.376869      1.589830      5.736241
  H      -1.894643      5.643896      7.632547
  H      -1.488972      5.065578      6.005512
  H      -1.952760      3.433124      8.559698
  H      -0.454985      3.482467      7.594419
  H      -3.775465      0.291138      8.810428
  H      -3.477414      2.002001      9.166289
  H      -2.276005      0.291325      6.930437
  H      -1.359566      1.052716      8.268877
  C      -1.570381     -4.335282      1.956029
  C      -1.927102     -2.917360      2.323332
  O      -1.061928     -2.068768      2.523984
  C      -3.376526     -2.556614      2.452665
  C      -4.418534     -3.481550      2.285778
  C      -5.743154     -3.085340      2.445089
  C      -6.023781     -1.774184      2.806254
  F      -7.315976     -1.437840      2.960655
  C      -5.008899     -0.807131      2.986450
  C      -5.303397      0.568705      3.459743
  O      -6.350232      0.840493      4.036110
  C      -4.255632      1.692883      3.235097
  C      -3.693949     -1.234222      2.772573
  C      -3.681147     10.489251      0.107799
  C      -3.488261      9.154182      0.783231
  O      -2.951383      8.215248      0.207116
  C      -3.972356      8.992009      2.197748
  C      -4.586445     10.032613      2.916614
  C      -5.014724      9.833574      4.225715
  C      -4.816690      8.591256      4.815399
  F      -5.258275      8.426181      6.084962
  C      -4.208256      7.519478      4.139404
  C      -3.962500      6.164915      4.710596
  O      -3.658225      5.228521      3.980824
  C      -4.087954      5.927754      6.225126
  C      -3.801386      7.753578      2.817749
  C      -7.686526     -6.251059      5.073311
  C      -6.673964     -5.150937      5.278825
  O      -5.491649     -5.311588      4.991053
  C      -7.146583     -3.841845      5.838263
  C      -8.494419     -3.594882      6.154977
  C      -8.884895     -2.363692      6.670471
  C      -7.922402     -1.380819      6.869723
  F      -8.343303     -0.199483      7.378423
  C      -6.565801     -1.572969      6.559259
  C      -5.475115     -0.558610      6.703238
  O      -4.354222     -0.806930      6.275211
  C      -5.761374      0.781999      7.394905
  C      -6.210270     -2.826896      6.042396
  H      -0.482001     -4.429440      1.884709
  H      -1.951551     -5.036925      2.714303
  H      -2.030451     -4.617670      0.996908
  H      -4.205330     -4.520916      2.037233
  H      -6.567813     -3.785761      2.314643
  H      -4.835596      2.573919      2.929656
  H      -3.567966      1.436572      2.416715
  H      -2.859400     -0.544475      2.881283
  H      -3.173428     11.287818      0.670291
  H      -4.748902     10.753991      0.064841
  H      -3.274936     10.441822     -0.907689
  H      -4.736982     11.009372      2.456604
  H      -5.502098     10.623670      4.797042
  H      -3.640727      6.770506      6.776948
  H      -5.163244      5.932186      6.463853
  H      -3.329280      6.942868      2.261365
  H      -8.176756     -6.513926      6.023163
  H      -7.183302     -7.133623      4.665271
  H      -8.479596     -5.926932      4.381750
  H      -9.250333     -4.365114      6.001316
  H      -9.923743     -2.149553      6.921486
  H      -6.115935      0.569942      8.421195
  H      -6.593144      1.270643      6.870811
  H      -5.164576     -3.008001      5.791539
  N      -5.830422      3.309840      5.439601
  H      -6.791360      3.384178      5.094400
88
Coordinates from ORCA-job orca E -6506.765026896589
  N      -3.485956      2.017547      4.438491
  Mo     -4.226581      2.957645      5.999688
  N      -4.599736      1.652730      7.413371
  C      -3.537669      1.263109      8.350718
  C      -2.221738      1.162305      7.595134
  N      -2.081811      2.379172      6.756527
  C      -1.306911      2.135339      5.516254
  C      -2.173413      1.373905      4.530874
  C      -1.551585      3.521621      7.539964
  C      -2.046727      4.812808      6.925645
  N      -3.474487      4.674346      6.630182
  H      -1.682296      1.378254      3.543533
  H      -2.281185      0.317868      4.837686
  H      -1.046457      3.113400      5.088277
  H      -0.373822      1.590249      5.736607
  H      -1.891017      5.644584      7.633917
  H      -1.486324      5.066897      6.006337
  H      -1.948160      3.433691      8.560438
  H      -0.451138      3.483475      7.594087
  H      -3.772272      0.292546      8.811631
  H      -3.474198      2.003545      9.167115
  H      -2.272725      0.292086      6.931839
  H      -1.356240      1.054180      8.269975
  C      -1.582993     -4.346093      1.976242
  C      -1.935961     -2.926060      2.338842
  O      -1.068543     -2.080654      2.543304
  C      -3.384653     -2.559337      2.459470
  C      -4.429391     -3.479974      2.286257
  C      -5.753312     -3.078766      2.438897
  C      -6.030643     -1.766955      2.800125
  F      -7.322228     -1.425697      2.949028
  C      -5.012971     -0.803964      2.985835
  C      -5.304111      0.572394      3.459547
  O      -6.351079      0.846829      4.034361
  C      -4.252827      1.693763      3.236253
  C      -3.698569     -1.235807      2.778315
  C      -3.690431     10.485911      0.106075
  C      -3.495769      9.151416      0.782119
  O      -2.959549      8.212285      0.205731
  C      -3.977143      8.990156      2.197669
  C      -4.590342     10.031048      2.916895
  C      -5.016018      9.832844      4.226955
  C      -4.816346      8.591066      4.817222
  F      -5.255366      8.426811      6.087773
  C      -4.208745      7.519015      4.140907
  C      -3.961588      6.164942      4.712599
  O      -3.657567      5.228261      3.983047
  C      -4.085365      5.928474      6.227345
  C      -3.804439      7.752281      2.818304
  C      -7.678288     -6.247827      5.061088
  C      -6.666281     -5.147868      5.270152
  O      -5.483301     -5.308163      4.984918
  C      -7.140148     -3.839586      5.830448
  C      -8.488394     -3.593590      6.145956
  C      -8.880002     -2.363184      6.662555
  C      -7.918162     -1.380156      6.864090
  F      -8.340104     -0.199709      7.373904
  C      -6.561126     -1.571308      6.554698
  C      -5.470894     -0.556786      6.701209
  O      -4.349674     -0.804134      6.273411
  C      -5.757715      0.782583      7.394976
  C      -6.204510     -2.824425      6.036712
  H      -0.494572     -4.445352      1.913041
  H      -1.973131     -5.044950      2.732505
  H      -2.037290     -4.627459      1.014065
  H      -4.218913     -4.519988      2.038101
  H      -6.580103     -3.775731      2.303345
  H      -4.830443      2.576022      2.929758
  H      -3.564929      1.435075      2.418813
  H      -2.862080     -0.549208      2.891951
  H      -3.181316     11.284878      0.666745
  H      -4.758275     10.750640      0.065486
  H      -3.286630     10.437731     -0.910338
  H      -4.742199     11.007362      2.456381
  H      -5.502633     10.623157      4.798632
  H      -3.637478      6.771522      6.778198
  H      -5.160365      5.933020      6.467369
  H      -3.333061      6.941335      2.261647
  H      -8.169712     -6.512467      6.009847
  H      -7.174262     -7.129571      4.652264
  H      -8.470554     -5.922782      4.369050
  H      -9.243727     -4.364052      5.990632
  H      -9.919205     -2.149840      6.912759
  H      -6.112139      0.568912      8.420978
  H      -6.589688      1.271427      6.871389
  H      -5.158458     -3.004742      5.786781
  N      -5.827058      3.309365      5.439916
  H      -6.787145      3.376841      5.090900
88
Coordinates from ORCA-job orca E -6506.765028529153
  N      -3.482224      2.017748      4.440362
  Mo     -4.222451      2.959157      6.001093
  N      -4.596793      1.654405      7.414564
  C      -3.535222      1.264990      8.352561
  C      -2.218924      1.163150      7.597660
  N      -2.078036      2.379485      6.758417
  C      -1.303301      2.134600      5.518299
  C      -2.170226      1.372947      4.533487
  C      -1.547206      3.521977      7.541460
  C      -2.042245      4.813274      6.927266
  N      -3.470299      4.675282      6.632707
  H      -1.678931      1.376352      3.546236
  H      -2.279089      0.317356      4.841303
  H      -1.042486      3.112309      5.089732
  H      -0.370401      1.589220      5.738817
  H      -1.885905      5.645054      7.635395
  H      -1.482331      5.067028      6.007589
  H      -1.943216      3.434189      8.562154
  H      -0.446732      3.483667      7.594972
  H      -3.770600      0.294908      8.814107
  H      -3.471754      2.006114      9.168325
  H      -2.269702      0.292471      6.934985
  H      -1.353955      1.055397      8.273225
  C      -1.597770     -4.359032      1.998178
  C      -1.945901     -2.936437      2.355223
  O      -1.075664     -2.094827      2.563289
  C      -3.393522     -2.562531      2.466435
  C      -4.441558     -3.478010      2.286196
  C      -5.764510     -3.070772      2.431273
  C      -6.037680     -1.758141      2.792448
  F      -7.328412     -1.410860      2.934872
  C      -5.016647     -0.800043      2.984525
  C      -5.303873      0.576933      3.458653
  O      -6.351130      0.854442      4.031477
  C      -4.248492      1.695066      3.237491
  C      -3.703040     -1.237642      2.784117
  C      -3.703404     10.481993      0.103448
  C      -3.505907      9.148296      0.780271
  O      -2.970684      8.208981      0.203287
  C      -3.983311      8.988094      2.197273
  C      -4.595771     10.029093      2.916975
  C      -5.017722      9.831844      4.228361
  C      -4.815179      8.590921      4.819461
  F      -5.250612      8.427704      6.091365
  C      -4.208182      7.518769      4.142736
  C      -3.958375      6.165449      4.715033
  O      -3.653440      5.228794      3.985763
  C      -4.081150      5.929434      6.229873
  C      -3.807572      7.751104      2.818825
  C      -7.668764     -6.244057      5.047619
  C      -6.657543     -5.144070      5.260234
  O      -5.474001     -5.303514      4.976840
  C      -7.132884     -3.836845      5.821717
  C      -8.481589     -3.592114      6.136181
  C      -8.874476     -2.362655      6.654125
  C      -7.913456     -1.379340      6.858029
  F      -8.336574     -0.199908      7.369159
  C      -6.555986     -1.569214      6.549640
  C      -5.466460     -0.554348      6.698731
  O      -4.344837     -0.800407      6.271190
  C      -5.754328      0.783822      7.394339
  C      -6.198112     -2.821358      6.030257
  H      -0.509434     -4.464487      1.944267
  H      -1.998439     -5.054401      2.752128
  H      -2.045479     -4.639324      1.032583
  H      -4.234470     -4.518839      2.038668
  H      -6.593808     -3.763662      2.290107
  H      -4.823357      2.578747      2.929807
  H      -3.560114      1.433826      2.421265
  H      -2.864185     -0.554889      2.903366
  H      -3.192863     11.281716      0.661759
  H      -4.771465     10.746273      0.065925
  H      -3.302724     10.432983     -0.914159
  H      -4.749971     11.004714      2.455768
  H      -5.503666     10.622221      4.800522
  H      -3.632559      6.772548      6.780072
  H      -5.155945      5.934358      6.470793
  H      -3.336796      6.940057      2.261810
  H      -8.161355     -6.510712      5.995213
  H      -7.163744     -7.124818      4.637900
  H      -8.460257     -5.918163      4.355102
  H      -9.236231     -4.362885      5.979063
  H      -9.914058     -2.150325      6.903608
  H      -6.109537      0.568651      8.419742
  H      -6.586078      1.272845      6.870533
  H      -5.151694     -3.000651      5.781130
  N      -5.822394      3.309989      5.439437
  H      -6.781197      3.371016      5.085703
88
Coordinates from ORCA-job orca E -6506.765029653987
  N      -3.476601      2.018044      4.442701
  Mo     -4.216774      2.961084      6.002629
  N      -4.593253      1.656595      7.415773
  C      -3.532724      1.267441      8.354976
  C      -2.215681      1.164050      7.601485
  N      -2.073068      2.379614      6.761369
  C      -1.298172      2.133173      5.521746
  C      -2.165489      1.371487      4.537300
  C      -1.541557      3.522171      7.543927
  C      -2.036055      4.813564      6.929471
  N      -3.464426      4.676421      6.635724
  H      -1.673647      1.373224      3.550338
  H      -2.276129      0.316536      4.846561
  H      -1.036462      3.110339      5.092464
  H      -0.365674      1.587266      5.742754
  H      -1.878829      5.645564      7.637142
  H      -1.476484      5.066462      6.009368
  H      -1.937273      3.434821      8.564764
  H      -0.441079      3.483430      7.597068
  H      -3.769362      0.298149      8.817572
  H      -3.469270      2.009587      9.169810
  H      -2.265891      0.292804      6.939576
  H      -1.351702      1.056579      8.278372
  C      -1.617493     -4.376845      2.026776
  C      -1.958651     -2.950751      2.376471
  O      -1.084424     -2.114383      2.588851
  C      -3.404584     -2.566967      2.475527
  C      -4.457098     -3.475428      2.286240
  C      -5.778543     -3.059878      2.421382
  C      -6.045868     -1.746038      2.782271
  F      -7.335320     -1.390555      2.916100
  C      -5.020231     -0.794635      2.982642
  C      -5.302258      0.583273      3.456936
  O      -6.349980      0.864934      4.026962
  C      -4.241544      1.696992      3.238592
  C      -3.707923     -1.240225      2.791579
  C      -3.722433     10.477461      0.099879
  C      -3.520731      9.144794      0.777552
  O      -2.987276      8.205224      0.199343
  C      -3.992049      8.985892      2.196714
  C      -4.603278     10.026944      2.917395
  C      -5.019606      9.830871      4.230731
  C      -4.812834      8.591081      4.822765
  F      -5.242845      8.429232      6.096668
  C      -4.206830      7.518879      4.145159
  C      -3.953044      6.166568      4.718056
  O      -3.646339      5.230253      3.989010
  C      -4.074950      5.930763      6.232917
  C      -3.811804      7.750102      2.819351
  C      -7.656829     -6.239588      5.030821
  C      -6.646665     -5.139434      5.247535
  O      -5.462476     -5.297702      4.966178
  C      -7.123881     -3.833524      5.810471
  C      -8.473184     -3.590349      6.123662
  C      -8.867624     -2.362029      6.643183
  C      -7.907628     -1.378320      6.849935
  F      -8.332180     -0.200042      7.362510
  C      -6.549652     -1.566621      6.542817
  C      -5.461090     -0.551238      6.694785
  O      -4.339041     -0.795629      6.267383
  C      -5.750317      0.785484      7.392682
  C      -6.190217     -2.817614      6.021759
  H      -0.529481     -4.490851      1.985312
  H      -2.032475     -5.067322      2.777441
  H      -2.056329     -4.655761      1.056684
  H      -4.254799     -4.517418      2.039741
  H      -6.611205     -3.747254      2.273045
  H      -4.812502      2.582540      2.928879
  H      -3.552349      1.432202      2.424189
  H      -2.865812     -0.562799      2.918233
  H      -3.210020     11.278273      0.654928
  H      -4.790829     10.740958      0.066793
  H      -3.326224     10.427456     -0.919425
  H      -4.760925     11.001657      2.455429
  H      -5.504427     10.621267      4.803818
  H      -3.625536      6.773757      6.782650
  H      -5.149559      5.936273      6.474647
  H      -3.341980      6.939010      2.261604
  H      -8.151078     -6.508514      5.976908
  H      -7.150485     -7.119236      4.620336
  H      -8.447184     -5.912806      4.337420
  H      -9.227004     -4.361471      5.964343
  H      -9.907683     -2.150940      6.891734
  H      -6.106935      0.568394      8.417170
  H      -6.581639      1.274921      6.868520
  H      -5.143354     -2.995647      5.773603
  N      -5.815680      3.311269      5.437694
  H      -6.772544      3.365167      5.077561
88
Coordinates from ORCA-job orca E -6506.765029555816
  N      -3.469725      2.018263      4.446041
  Mo     -4.209976      2.963399      6.004866
  N      -4.589483      1.659641      7.417896
  C      -3.530486      1.270791      8.358779
  C      -2.212414      1.165067      7.607291
  N      -2.067315      2.379430      6.765818
  C      -1.292018      2.130674      5.527031
  C      -2.159864      1.369269      4.542827
  C      -1.534911      3.522187      7.547553
  C      -2.028207      4.813588      6.932129
  N      -3.456905      4.677828      6.639106
  H      -1.667182      1.368455      3.556323
  H      -2.273018      0.315143      4.853955
  H      -1.028708      3.107035      5.096858
  H      -0.360290      1.583782      5.748917
  H      -1.869694      5.646155      7.638841
  H      -1.468779      5.064820      6.011495
  H      -1.930694      3.435886      8.568447
  H      -0.434465      3.482574      7.600659
  H      -3.768880      0.302659      8.822956
  H      -3.466906      2.014333      9.172339
  H      -2.261875      0.292988      6.946476
  H      -1.349788      1.057831      8.285951
  C      -1.642904     -4.399526      2.061772
  C      -1.974891     -2.968909      2.401613
  O      -1.095575     -2.139099      2.618475
  C      -3.418403     -2.572622      2.485864
  C      -4.476498     -3.472141      2.285269
  C      -5.795783     -3.046093      2.408374
  C      -6.055611     -1.730854      2.769374
  F      -7.343222     -1.365073      2.892832
  C      -5.024217     -0.788028      2.980149
  C      -5.299776      0.590945      3.454924
  O      -6.347911      0.877426      4.021926
  C      -4.232664      1.699229      3.240084
  C      -3.713794     -1.243694      2.800247
  C      -3.747080     10.472047      0.094943
  C      -3.539798      9.140728      0.773638
  O      -3.008589      8.200889      0.193819
  C      -4.002986      8.983446      2.195631
  C      -4.612669     10.024489      2.917636
  C      -5.021582      9.829855      4.233489
  C      -4.809172      8.591537      4.826648
  F      -5.232048      8.431435      6.103135
  C      -4.204358      7.519365      4.147849
  C      -3.945150      6.168346      4.721417
  O      -3.635639      5.232702      3.992616
  C      -4.066614      5.932576      6.236231
  C      -3.816683      7.749251      2.819615
  C      -7.641062     -6.233858      5.009521
  C      -6.632427     -5.133385      5.231521
  O      -5.447460     -5.289811      4.952382
  C      -7.112191     -3.829358      5.796587
  C      -8.462298     -3.588412      6.108270
  C      -8.858893     -2.361720      6.629981
  C      -7.900357     -1.377368      6.840401
  F      -8.326895     -0.200707      7.354982
  C      -6.541729     -1.563421      6.534868
  C      -5.454572     -0.547186      6.690497
  O      -4.331894     -0.789303      6.263497
  C      -5.745871      0.787736      7.391074
  C      -6.180093     -2.812833      6.011529
  H      -0.555609     -4.524459      2.036016
  H      -2.075946     -5.083155      2.808465
  H      -2.070491     -4.677297      1.086293
  H      -4.280374     -4.515484      2.039659
  H      -6.632572     -3.726478      2.251103
  H      -4.798547      2.587068      2.927462
  H      -3.542368      1.430007      2.428071
  H      -2.867624     -0.573100      2.936109
  H      -3.232714     11.274423      0.645928
  H      -4.815975     10.734136      0.067297
  H      -3.356400     10.420915     -0.926438
  H      -4.774930     10.998021      2.454768
  H      -5.504968     10.620230      4.807814
  H      -3.616278      6.775251      6.785718
  H      -5.141080      5.939014      6.478544
  H      -3.348016      6.938171      2.260885
  H      -8.137591     -6.505748      5.953549
  H      -7.132875     -7.112001      4.598088
  H      -8.429849     -5.905930      4.314858
  H      -9.215000     -4.360018      5.946060
  H      -9.899578     -2.152416      6.877432
  H      -6.104277      0.568221      8.414391
  H      -6.576730      1.277661      6.866546
  H      -5.132643     -2.989103      5.764618
  N      -5.807315      3.313573      5.435487
  H      -6.761673      3.360585      5.067782
88
Coordinates from ORCA-job orca E -6506.765029424269
  N      -3.462516      2.018397      4.449699
  Mo     -4.202978      2.965540      6.007381
  N      -4.585842      1.662772      7.420491
  C      -3.528529      1.274275      8.363230
  C      -2.209265      1.166004      7.613999
  N      -2.061480      2.378946      6.770903
  C      -1.285621      2.127553      5.533116
  C      -2.154050      1.366759      4.548930
  C      -1.528169      3.522031      7.551601
  C      -2.019796      4.813310      6.934596
  N      -3.448748      4.679180      6.641993
  H      -1.660382      1.363020      3.562970
  H      -2.269994      0.313477      4.861911
  H      -1.020222      3.102994      5.102098
  H      -0.354921      1.579349      5.756108
  H      -1.859887      5.646703      7.640011
  H      -1.460239      5.062375      6.013456
  H      -1.924454      3.437254      8.572427
  H      -0.427790      3.481255      7.605125
  H      -3.768744      0.307437      8.829225
  H      -3.464798      2.019294      9.175439
  H      -2.257838      0.292977      6.954429
  H      -1.348084      1.059001      8.294557
  C      -1.670429     -4.423667      2.098224
  C      -1.992269     -2.988060      2.426594
  O      -1.107475     -2.165017      2.646810
  C      -3.432909     -2.578571      2.495898
  C      -4.496775     -3.468657      2.283847
  C      -5.813508     -3.031570      2.394942
  C      -6.065336     -1.714926      2.756351
  F      -7.350810     -1.338457      2.869598
  C      -5.027935     -0.781215      2.977697
  C      -5.296669      0.598786      3.453212
  O      -6.344994      0.890060      4.017559
  C      -4.223126      1.701364      3.241686
  C      -3.719782     -1.247444      2.808780
  C      -3.773640     10.467201      0.089775
  C      -3.560195      9.137276      0.769341
  O      -3.031380      8.197239      0.187635
  C      -4.014529      8.981507      2.194334
  C      -4.622736     10.022342      2.917895
  C      -5.023637      9.829013      4.236383
  C      -4.804930      8.592247      4.830546
  F      -5.220177      8.433827      6.109728
  C      -4.201173      7.520313      4.150333
  C      -3.935814      6.170612      4.724357
  O      -3.622634      5.236069      3.995674
  C      -4.057330      5.934477      6.239038
  C      -3.821467      7.749013      2.819567
  C      -7.623977     -6.228398      4.987859
  C      -6.617106     -5.127483      5.215464
  O      -5.431213     -5.281982      4.939152
  C      -7.099787     -3.825331      5.782331
  C      -8.450921     -3.586516      6.091479
  C      -8.850011     -2.361377      6.614916
  C      -7.893057     -1.376376      6.829569
  F      -8.321904     -0.201208      7.345577
  C      -6.533586     -1.560284      6.526656
  C      -5.447931     -0.543149      6.686303
  O      -4.324505     -0.783004      6.260087
  C      -5.741483      0.789906      7.389620
  C      -6.169387     -2.808230      6.001539
  H      -0.584273     -4.560171      2.088808
  H      -2.122258     -5.099098      2.841201
  H      -2.086349     -4.701285      1.117617
  H      -4.307281     -4.513330      2.038859
  H      -6.654519     -3.704578      2.228526
  H      -4.783473      2.591572      2.925655
  H      -3.531648      1.427396      2.432272
  H      -2.869419     -0.584069      2.954008
  H      -3.257780     11.271403      0.636690
  H      -4.843157     10.727297      0.067601
  H      -3.388532     10.415157     -0.933672
  H      -4.790142     10.994634      2.454244
  H      -5.505610     10.619218      4.812126
  H      -3.606182      6.776652      6.788640
  H      -5.131729      5.941963      6.481593
  H      -3.353872      6.938108      2.259687
  H      -8.123778     -6.502806      5.929407
  H      -7.113591     -7.105227      4.576339
  H      -8.410445     -5.899533      4.290982
  H      -9.202452     -4.358550      5.925901
  H      -9.891497     -2.153774      6.860439
  H      -6.101751      0.567781      8.411699
  H      -6.571914      1.280445      6.864884
  H      -5.121177     -2.982848      5.756738
  N      -5.798427      3.316627      5.433137
  H      -6.750230      3.359267      5.058307
88
Coordinates from ORCA-job orca E -6506.765031945948
  N      -3.460116      2.018055      4.451187
  Mo     -4.201266      2.965526      6.008302
  N      -4.586518      1.663717      7.421710
  C      -3.530465      1.275079      8.365674
  C      -2.210426      1.165190      7.617967
  N      -2.060760      2.377312      6.774006
  C      -1.284051      2.124350      5.537089
  C      -2.152598      1.364709      4.552087
  C      -1.527103      3.520557      7.554179
  C      -2.016667      4.811656      6.935222
  N      -3.445491      4.678932      6.641606
  H      -1.657968      1.359398      3.566644
  H      -2.270404      0.311702      4.865425
  H      -1.016649      3.099243      5.106062
  H      -0.354386      1.574837      5.761128
  H      -1.856153      5.645835      7.639562
  H      -1.456141      5.058801      6.014151
  H      -1.924790      3.437297      8.574594
  H      -0.426842      3.478564      7.609096
  H      -3.771869      0.308955      8.832563
  H      -3.466632      2.020719      9.177322
  H      -2.258610      0.291707      6.958970
  H      -1.350105      1.057897      8.299585
  C      -1.675468     -4.429231      2.103138
  C      -1.994576     -2.991905      2.426657
  O      -1.108250     -2.169763      2.643959
  C      -3.434483     -2.579641      2.494862
  C      -4.499795     -3.467810      2.281666
  C      -5.815833     -3.028467      2.391854
  C      -6.065617     -1.711578      2.753865
  F      -7.350507     -1.333037      2.866421
  C      -5.026697     -0.779861      2.976562
  C      -5.293956      0.600167      3.452846
  O      -6.342022      0.891876      4.017502
  C      -4.219416      1.701674      3.242086
  C      -3.719236     -1.248190      2.808071
  C      -3.784380     10.467405      0.087561
  C      -3.568345      9.137788      0.766916
  O      -3.040929      8.197785      0.183877
  C      -4.018405      8.982182      2.193279
  C      -4.626153     10.022545      2.917912
  C      -5.023294      9.829232      4.237536
  C      -4.801424      8.593012      4.831708
  F      -5.213063      8.434968      6.112115
  C      -4.197871      7.521570      4.150505
  C      -3.929150      6.172224      4.724120
  O      -3.612546      5.239079      3.995197
  C      -4.052560      5.934918      6.238463
  C      -3.821895      7.750349      2.818684
  C      -7.620508     -6.228230      4.986405
  C      -6.614319     -5.126834      5.214557
  O      -5.428152     -5.280778      4.939054
  C      -7.098045     -3.824727      5.780611
  C      -8.449807     -3.585728      6.087083
  C      -8.849823     -2.360419      6.609347
  C      -7.893224     -1.375370      6.825543
  F      -8.322952     -0.199943      7.340193
  C      -6.533210     -1.559500      6.525424
  C      -5.447844     -0.542263      6.686294
  O      -4.323912     -0.782182      6.261564
  C      -5.742265      0.790897      7.389110
  C      -6.168037     -2.807687      6.001488
  H      -0.589633     -4.568418      2.096701
  H      -2.131106     -5.101360      2.846779
  H      -2.089424     -4.708572      1.122161
  H      -4.311956     -4.512663      2.036240
  H      -6.657783     -3.700021      2.224347
  H      -4.778255      2.592421      2.924869
  H      -3.527327      1.426866      2.433490
  H      -2.867834     -0.586317      2.954385
  H      -3.268683     11.272422      0.633405
  H      -4.854295     10.726066      0.067132
  H      -3.401056     10.415585     -0.936569
  H      -4.796169     10.994403      2.454293
  H      -5.504737     10.619077      4.814214
  H      -3.601342      6.776376      6.789125
  H      -5.127177      5.943287      6.479947
  H      -3.354558      6.939830      2.258029
  H      -8.122746     -6.501452      5.926968
  H      -7.109125     -7.105521      4.577120
  H      -8.405158     -5.900126      4.287078
  H      -9.201156     -4.357659      5.920198
  H      -9.891788     -2.152658      6.852709
  H      -6.104026      0.568834      8.410673
  H      -6.572004      1.281724      6.863505
  H      -5.119360     -2.982519      5.758930
  N      -5.795204      3.319932      5.431642
  H      -6.746480      3.368383      5.056204
88
Coordinates from ORCA-job orca E -6506.765033861086
  N      -3.458594      2.018387      4.453850
  Mo     -4.198859      2.966409      6.011013
  N      -4.584483      1.665207      7.425038
  C      -3.528347      1.277091      8.369148
  C      -2.208020      1.166653      7.621713
  N      -2.058351      2.377904      6.776483
  C      -1.282026      2.123638      5.539581
  C      -2.151399      1.364398      4.554988
  C      -1.524191      3.521730      7.555486
  C      -2.012968      4.812425      6.935119
  N      -3.441812      4.680241      6.641649
  H      -1.656968      1.357771      3.569460
  H      -2.269856      0.311617      4.868931
  H      -1.013643      3.098087      5.108164
  H      -0.352946      1.573256      5.763829
  H      -1.851828      5.647275      7.638523
  H      -1.452338      5.058310      6.013766
  H      -1.922302      3.439837      8.575859
  H      -0.423979      3.479059      7.610880
  H      -3.769643      0.311341      8.836911
  H      -3.464424      2.023151      9.180390
  H      -2.255817      0.292498      6.963591
  H      -1.347742      1.060060      8.303507
  C      -1.697866     -4.445156      2.128121
  C      -2.010277     -3.004446      2.443058
  O      -1.120384     -2.186280      2.660891
  C      -3.448189     -2.583841      2.502448
  C      -4.517231     -3.465760      2.281779
  C      -5.831381     -3.019220      2.385003
  C      -6.075929     -1.701659      2.748376
  F      -7.359317     -1.316509      2.855580
  C      -5.033048     -0.776036      2.977537
  C      -5.295474      0.604541      3.455022
  O      -6.342723      0.898939      4.019758
  C      -4.217326      1.702327      3.244244
  C      -3.727311     -1.251176      2.815396
  C      -3.793864     10.467428      0.085271
  C      -3.575495      9.138247      0.764702
  O      -3.048645      8.198342      0.180935
  C      -4.022364      8.982916      2.192113
  C      -4.630051     10.022898      2.917370
  C      -5.024382      9.829718      4.237859
  C      -4.799826      8.594068      4.832234
  F      -5.208896      8.436341      6.113522
  C      -4.196135      7.523049      4.150471
  C      -3.924576      6.174100      4.723992
  O      -3.605396      5.241942      3.995029
  C      -4.048417      5.936370      6.238263
  C      -3.822990      7.751733      2.817829
  C      -7.602455     -6.227255      4.971356
  C      -6.598384     -5.124971      5.204422
  O      -5.411161     -5.276998      4.932397
  C      -7.085515     -3.824275      5.770862
  C      -8.438381     -3.587543      6.074239
  C      -8.841483     -2.363471      6.597069
  C      -7.886831     -1.377305      6.816951
  F      -8.319318     -0.203244      7.332261
  C      -6.525889     -1.559080      6.519722
  C      -5.442330     -0.540391      6.683935
  O      -4.317817     -0.777710      6.259340
  C      -5.738878      0.790514      7.390086
  C      -6.157581     -2.806084      5.995109
  H      -0.612955     -4.591401      2.131220
  H      -2.164433     -5.111129      2.870487
  H      -2.105138     -4.725688      1.144665
  H      -4.333788     -4.511257      2.035830
  H      -6.676131     -3.685734      2.211323
  H      -4.772386      2.594496      2.924176
  H      -3.525029      1.423751      2.437115
  H      -2.873222     -0.593999      2.967462
  H      -3.278960     11.273460      0.630335
  H      -4.864241     10.724313      0.065725
  H      -3.411525     10.415834     -0.939239
  H      -4.802253     10.994308      2.453618
  H      -5.505664     10.619283      4.815054
  H      -3.597209      6.777669      6.789184
  H      -5.123074      5.945091      6.479528
  H      -3.355636      6.941521      2.256739
  H      -8.108420     -6.501912      5.909485
  H      -7.088587     -7.103611      4.563185
  H      -8.384475     -5.899043      4.269097
  H      -9.188278     -4.360306      5.904624
  H      -9.884336     -2.157538      6.838143
  H      -6.100211      0.565048      8.411081
  H      -6.569494      1.281727      6.866206
  H      -5.108070     -2.979060      5.754828
  N      -5.792073      3.322099      5.433018
  H      -6.742727      3.373158      5.056423
88
Coordinates from ORCA-job orca E -6506.765036881980
  N      -3.461641      2.017635      4.454499
  Mo     -4.201239      2.964273      6.012519
  N      -4.584645      1.663646      7.427786
  C      -3.527003      1.275968      8.370642
  C      -2.207333      1.167062      7.621637
  N      -2.059987      2.378306      6.775969
  C      -1.284083      2.124461      5.538543
  C      -2.153600      1.365209      4.554122
  C      -1.526383      3.522895      7.554188
  C      -2.015006      4.812878      6.932281
  N      -3.443408      4.679825      6.637631
  H      -1.659971      1.359819      3.568146
  H      -2.270384      0.311869      4.866881
  H      -1.015871      3.099069      5.107459
  H      -0.355102      1.573914      5.762663
  H      -1.854841      5.648204      7.635350
  H      -1.453681      5.058596      6.011304
  H      -1.925437      3.442013      8.574291
  H      -0.426223      3.480253      7.610729
  H      -3.766524      0.309456      8.837729
  H      -3.463396      2.021221      9.182618
  H      -2.255532      0.292743      6.963692
  H      -1.345795      1.061293      8.301937
  C      -1.695930     -4.442781      2.122742
  C      -2.010028     -3.002454      2.437667
  O      -1.121006     -2.182682      2.653217
  C      -3.448484     -2.584115      2.500120
  C      -4.516782     -3.467153      2.280146
  C      -5.831261     -3.022332      2.386222
  C      -6.077031     -1.705489      2.751780
  F      -7.360751     -1.322344      2.861952
  C      -5.034879     -0.778889      2.979900
  C      -5.297948      0.601011      3.459395
  O      -6.343743      0.893452      4.027558
  C      -4.221578      1.699937      3.246013
  C      -3.728859     -1.252217      2.815097
  C      -3.785404     10.473297      0.086744
  C      -3.568644      9.143260      0.764930
  O      -3.039888      8.204254      0.181430
  C      -4.018860      8.986106      2.191119
  C      -4.628566     10.025017      2.916232
  C      -5.025967      9.830036      4.235550
  C      -4.802350      8.593730      4.828909
  F      -5.214376      8.434207      6.109083
  C      -4.196714      7.523797      4.147267
  C      -3.925579      6.174122      4.719726
  O      -3.605186      5.242923      3.990286
  C      -4.050451      5.935580      6.233892
  C      -3.820569      7.754217      2.815781
  C      -7.601756     -6.228850      4.973036
  C      -6.597599     -5.127041      5.207925
  O      -5.409921     -5.279682      4.938220
  C      -7.085140     -3.826025      5.773349
  C      -8.438390     -3.588602      6.074131
  C      -8.842001     -2.364272      6.596032
  C      -7.887302     -1.378510      6.817616
  F      -8.320158     -0.204337      7.332224
  C      -6.525923     -1.560920      6.522687
  C      -5.442108     -0.542558      6.688344
  O      -4.317195     -0.780445      6.265092
  C      -5.738608      0.788223      7.394462
  C      -6.157147     -2.808148      5.999002
  H      -0.610746     -4.587069      2.123237
  H      -2.159315     -5.109192      2.866698
  H      -2.104959     -4.724402      1.140336
  H      -4.332330     -4.512012      2.032151
  H      -6.675567     -3.689512      2.212856
  H      -4.777276      2.591620      2.925602
  H      -3.529719      1.421500      2.438484
  H      -2.875368     -0.594034      2.966188
  H      -3.273740     11.279220      0.634942
  H      -4.856087     10.728668      0.063253
  H      -3.399076     10.423638     -0.936368
  H      -4.799983     10.996957      2.453303
  H      -5.508868     10.618792      4.812503
  H      -3.600308      6.777123      6.785345
  H      -5.125272      5.943646      6.474339
  H      -3.351634      6.944816      2.254835
  H      -8.110607     -6.502280      5.909955
  H      -7.087491     -7.105871      4.566822
  H      -8.381574     -5.900471      4.268379
  H      -9.188373     -4.361044      5.903389
  H      -9.885187     -2.157831      6.835189
  H      -6.097847      0.562215      8.416140
  H      -6.570316      1.279343      6.872326
  H      -5.107304     -2.981566      5.760493
  N      -5.794939      3.321897      5.437093
  H      -6.747315      3.384407      5.066755
88
Coordinates from ORCA-job orca E -6506.765038340428
  N      -3.459021      2.017111      4.458345
  Mo     -4.197554      2.965156      6.015999
  N      -4.580511      1.665409      7.432216
  C      -3.522433      1.278914      8.375152
  C      -2.202784      1.169716      7.626007
  N      -2.056041      2.379972      6.778745
  C      -1.280851      2.124679      5.541146
  C      -2.151044      1.364384      4.558162
  C      -1.522053      3.525484      7.555386
  C      -2.010968      4.814825      6.932365
  N      -3.439527      4.681368      6.638601
  H      -1.657908      1.358031      3.571943
  H      -2.268037      0.311518      4.872296
  H      -1.012719      3.098779      5.108895
  H      -0.351911      1.574095      5.765379
  H      -1.850635      5.650756      7.634685
  H      -1.450152      5.059804      6.010904
  H      -1.920587      3.445667      8.575771
  H      -0.421861      3.482949      7.611433
  H      -3.761620      0.312693      8.843037
  H      -3.459073      2.024924      9.186428
  H      -2.250652      0.294454      6.969317
  H      -1.341125      1.065509      8.306371
  C      -1.719586     -4.460589      2.149744
  C      -2.026397     -3.017325      2.458038
  O      -1.133757     -2.202968      2.679015
  C      -3.462542     -2.589441      2.508115
  C      -4.534608     -3.465117      2.277438
  C      -5.847120     -3.012373      2.374062
  C      -6.087438     -1.695102      2.741528
  F      -7.369437     -1.304074      2.843918
  C      -5.041369     -0.775568      2.979299
  C      -5.299311      0.604387      3.461422
  O      -6.344360      0.899409      4.029517
  C      -4.218691      1.699644      3.249624
  C      -3.736975     -1.256317      2.823290
  C      -3.795834     10.470888      0.084076
  C      -3.576471      9.141516      0.762747
  O      -3.047499      8.202799      0.179044
  C      -4.024307      8.984771      2.189724
  C      -4.634466     10.023305      2.914985
  C      -5.029598      9.828674      4.235017
  C      -4.803327      8.593111      4.828930
  F      -5.213081      8.433984      6.109888
  C      -4.197141      7.523570      4.147190
  C      -3.923357      6.174548      4.720063
  O      -3.602083      5.243503      3.990825
  C      -4.047235      5.936627      6.234384
  C      -3.823256      7.753622      2.814997
  C      -7.585605     -6.223244      4.951933
  C      -6.582759     -5.121851      5.194126
  O      -5.394089     -5.273112      4.928020
  C      -7.072804     -3.822967      5.762206
  C      -8.426814     -3.587760      6.061131
  C      -8.832657     -2.365351      6.585878
  C      -7.879397     -1.379262      6.812011
  F      -8.314299     -0.207104      7.329353
  C      -6.517296     -1.559415      6.518804
  C      -5.434740     -0.540448      6.688966
  O      -4.308960     -0.776349      6.266825
  C      -5.733244      0.788510      7.397545
  C      -6.146284     -2.804763      5.992390
  H      -0.635582     -4.613009      2.162431
  H      -2.196409     -5.121883      2.889753
  H      -2.119757     -4.740947      1.163310
  H      -4.354629     -4.510566      2.028709
  H      -6.694314     -3.673656      2.192238
  H      -4.771183      2.592668      2.927205
  H      -3.526518      1.417763      2.443584
  H      -2.880824     -0.603627      2.982965
  H      -3.284556     11.277809      0.631153
  H      -4.866900     10.724766      0.061804
  H      -3.410798     10.421172     -0.939524
  H      -4.808032     10.994637      2.451581
  H      -5.512784     10.617135      4.812135
  H      -3.597018      6.778700      6.785012
  H      -5.121869      5.944451      6.475575
  H      -3.354020      6.944470      2.253944
  H      -8.097090     -6.500499      5.886295
  H      -7.069634     -7.098446      4.543975
  H      -8.363559     -5.892671      4.246242
  H      -9.175664     -4.360503      5.886856
  H      -9.876482     -2.160695      6.823778
  H      -6.092057      0.559977      8.418819
  H      -6.565623      1.279391      6.876262
  H      -5.095826     -2.976415      5.755377
  N      -5.791128      3.321952      5.440033
  H      -6.742850      3.381942      5.067579
88
Coordinates from ORCA-job orca E -6506.765039604558
  N      -3.461248      2.016986      4.459295
  Mo     -4.198879      2.965284      6.017048
  N      -4.580015      1.665275      7.433500
  C      -3.521068      1.279547      8.375872
  C      -2.201872      1.171458      7.625874
  N      -2.056680      2.381782      6.778349
  C      -1.282391      2.126693      5.540075
  C      -2.152785      1.365042      4.558270
  C      -1.522697      3.527626      7.554430
  C      -2.012845      4.816656      6.931708
  N      -3.441479      4.682098      6.638513
  H      -1.660435      1.359211      3.571645
  H      -2.268886      0.312304      4.872978
  H      -1.015601      3.100836      5.107121
  H      -0.352726      1.577050      5.763688
  H      -1.853109      5.652541      7.634218
  H      -1.452597      5.062306      6.010101
  H      -1.920228      3.447601      8.575187
  H      -0.422417      3.485835      7.609454
  H      -3.759351      0.312964      8.843457
  H      -3.458107      2.025538      9.187173
  H      -2.249612      0.296078      6.969392
  H      -1.339687      1.068337      8.305729
  C      -1.722406     -4.460102      2.146034
  C      -2.029305     -3.017600      2.457708
  O      -1.136768     -2.203792      2.681166
  C      -3.465464     -2.589792      2.507988
  C      -4.537449     -3.465306      2.276584
  C      -5.850065     -3.012785      2.373477
  C      -6.090388     -1.695796      2.741752
  F      -7.372358     -1.304529      2.844299
  C      -5.044444     -0.776417      2.980379
  C      -5.302147      0.603013      3.464002
  O      -6.346614      0.897518      4.033339
  C      -4.221975      1.698785      3.251561
  C      -3.739932     -1.256847      2.824222
  C      -3.787439     10.471406      0.084932
  C      -3.569692      9.141824      0.763764
  O      -3.039460      8.203217      0.181012
  C      -4.021134      8.984703      2.189556
  C      -4.632729     10.023153      2.913709
  C      -5.031048      9.828262      4.232741
  C      -4.806380      8.592509      4.826835
  F      -5.219221      8.432938      6.106749
  C      -4.198952      7.523004      4.146155
  C      -3.926805      6.173849      4.719395
  O      -3.606738      5.242154      3.990441
  C      -4.050080      5.936773      6.233871
  C      -3.821970      7.753237      2.814871
  C      -7.581395     -6.223958      4.950988
  C      -6.578975     -5.122451      5.194553
  O      -5.390030     -5.273444      4.929552
  C      -7.069794     -3.823857      5.762618
  C      -8.423984     -3.589217      6.061019
  C      -8.830441     -2.367065      6.585986
  C      -7.877641     -1.380711      6.812743
  F      -8.313173     -0.208865      7.330304
  C      -6.515342     -1.560286      6.519935
  C      -5.433261     -0.540973      6.690570
  O      -4.307288     -0.776401      6.268557
  C      -5.732317      0.787876      7.399174
  C      -6.143719     -2.805377      5.993459
  H      -0.638362     -4.612286      2.157547
  H      -2.198324     -5.123254      2.884957
  H      -2.123463     -4.738345      1.159370
  H      -4.357291     -4.510577      2.027210
  H      -6.697308     -3.673863      2.191129
  H      -4.775696      2.591326      2.929908
  H      -3.530298      1.417112      2.445002
  H      -2.883881     -0.604225      2.984808
  H      -3.276982     11.277999      0.633271
  H      -4.858359     10.725692      0.060612
  H      -3.400335     10.421863     -0.937891
  H      -4.804941     10.994646      2.450143
  H      -5.515497     10.616620      4.808942
  H      -3.600074      6.779443      6.783771
  H      -5.124638      5.943984      6.475396
  H      -3.351730      6.944108      2.254628
  H      -8.092779     -6.502282      5.885109
  H      -7.064991     -7.098616      4.542398
  H      -8.359495     -5.893235      4.245552
  H      -9.172415     -4.362240      5.886193
  H      -9.874434     -2.162847      6.823525
  H      -6.090972      0.559227      8.420473
  H      -6.564869      1.278082      6.877570
  H      -5.093093     -2.976593      5.756898
  N      -5.793287      3.321356      5.443261
  H      -6.745811      3.381686      5.072875
