91
Coordinates from ORCA-job orca E -6725.043107308376
  N      -3.588059      0.278792      4.753129
  Mo     -3.720432      2.385639      4.578805
  N      -5.063042      2.576509      6.211391
  C      -4.394221      3.027715      7.411886
  C      -3.087945      2.248149      7.632554
  N      -2.288002      2.071101      6.397248
  C      -1.781221      0.695166      6.314816
  C      -2.926384     -0.247052      5.931189
  C      -1.186335      3.053077      6.347964
  C      -1.771700      4.438298      6.006949
  N      -2.863329      4.110781      5.139127
  H      -2.521514     -1.250360      5.745999
  H      -3.659981     -0.330528      6.746108
  H      -1.027235      0.652471      5.522388
  H      -1.321227      0.374391      7.258110
  H      -2.114569      4.977053      6.900907
  H      -1.027049      5.067438      5.502986
  H      -0.629298      3.076662      7.292391
  H      -0.505487      2.758647      5.543264
  H      -5.031491      2.898823      8.298187
  H      -4.196294      4.105866      7.313922
  H      -3.356776      1.264954      8.024108
  H      -2.496043      2.758829      8.399949
  C      -4.247470      4.741648     -1.120267
  C      -4.418271      3.745660     -0.022438
  O      -4.303038      4.037597      1.167936
  C      -4.762014      2.352397     -0.387552
  C      -5.396973      1.975619     -1.575153
  C      -5.780156      0.659813     -1.755243
  C      -5.547613     -0.275906     -0.754820
  F      -5.999288     -1.524897     -0.941637
  C      -4.896178      0.067565      0.427126
  C      -4.647264     -0.864271      1.573735
  O      -4.696938     -2.083030      1.509365
  N      -4.391071     -0.113902      2.680005
  C      -3.866918     -0.564400      3.791580
  C      -4.489720      1.387074      0.573618
  C      -7.733799     10.260799     -0.422197
  C      -7.267763      8.918875      0.045159
  O      -7.475516      7.894693     -0.576015
  C      -6.510487      8.869504      1.335703
  C      -6.028972      9.998576      1.999741
  C      -5.325482      9.863532      3.183841
  C      -5.083900      8.601841      3.699560
  F      -4.419772      8.506230      4.867115
  C      -5.547454      7.452231      3.060654
  C      -5.294785      6.079959      3.545009
  O      -6.086579      5.151166      3.335806
  N      -4.118623      5.926017      4.227773
  C      -3.778441      4.703033      4.476618
  C      -6.271261      7.615032      1.885599
  C     -13.789886     -0.758606      4.175085
  C     -12.752158     -0.052959      4.990086
  O     -12.952225      0.337038      6.119866
  C     -11.412684      0.163532      4.347143
  C     -11.008395     -0.472213      3.174719
  C      -9.751285     -0.221870      2.653929
  C      -8.899418      0.650169      3.307138
  F      -7.679178      0.881552      2.730773
  C      -9.260956      1.302693      4.480306
  C      -8.416818      2.249173      5.272751
  O      -8.941749      3.161021      5.908322
  N      -7.077609      2.024886      5.236961
  C      -6.357289      2.509381      6.233320
  C     -10.535695      1.041494      4.974488
  H      -5.225884      4.985774     -1.533378
  H      -3.801353      5.652580     -0.729852
  H      -3.635808      4.325788     -1.916312
  H      -5.615835      2.700836     -2.341640
  H      -6.280882      0.343546     -2.656605
  H      -3.609860     -1.629319      3.906176
  H      -3.946399      1.658019      1.463774
  H      -8.301775     10.755660      0.361160
  H      -6.872211     10.878250     -0.667358
  H      -8.349903     10.140982     -1.309209
  H      -6.196343     10.985485      1.601247
  H      -4.956673     10.725557      3.716953
  H      -4.456833      3.888712      4.005913
  H      -6.648665      6.732740      1.387928
  H     -14.738561     -0.736622      4.704319
  H     -13.490592     -1.794095      4.026464
  H     -13.893672     -0.285460      3.202412
  H     -11.658033     -1.161912      2.662258
  H      -9.413447     -0.693691      1.744290
  H      -6.892378      2.808629      7.150022
  H     -10.848562      1.544218      5.878895
  N      -2.283084      2.206650      3.017110
  N      -1.347967      2.090202      2.001094
  H      -1.497333      2.822338      1.320402
  H      -1.446825      1.189044      1.554084
  H      -0.417994      2.174326      2.388071
91
Coordinates from ORCA-job orca E -6725.077119608020
  N      -3.554793      0.232300      4.822540
  Mo     -3.679834      2.326671      4.642865
  N      -5.006102      2.520162      6.266458
  C      -4.337395      2.974311      7.477253
  C      -3.040972      2.189977      7.696251
  N      -2.242557      2.011367      6.445599
  C      -1.735829      0.623498      6.357697
  C      -2.884753     -0.311961      5.994133
  C      -1.135477      2.997631      6.376638
  C      -1.721024      4.380019      6.040716
  N      -2.823976      4.061202      5.184273
  H      -2.487582     -1.318552      5.800254
  H      -3.606751     -0.394749      6.822741
  H      -0.989126      0.583967      5.555179
  H      -1.262410      0.306879      7.299439
  H      -2.056398      4.923173      6.936850
  H      -0.980701      5.007791      5.524273
  H      -0.567584      3.018693      7.317127
  H      -0.465245      2.694418      5.564018
  H      -4.977466      2.846331      8.362923
  H      -4.131690      4.053089      7.384488
  H      -3.308970      1.202174      8.085224
  H      -2.439668      2.696188      8.463402
  C      -4.170604      4.932269     -1.134616
  C      -4.341286      3.943873     -0.019394
  O      -4.171011      4.255027      1.161880
  C      -4.738047      2.548154     -0.363975
  C      -5.406980      2.184521     -1.543002
  C      -5.829650      0.873731     -1.719037
  C      -5.598242     -0.072247     -0.721897
  F      -6.080287     -1.311594     -0.908990
  C      -4.918205      0.249061      0.458386
  C      -4.675512     -0.718040      1.594260
  O      -4.756337     -1.939315      1.487134
  N      -4.387137     -0.024998      2.747716
  C      -3.865824     -0.567934      3.818577
  C      -4.480668      1.568842      0.596308
  C      -7.778816     10.016663     -0.593470
  C      -7.284169      8.698430     -0.064330
  O      -7.460600      7.645355     -0.660984
  C      -6.545261      8.709162      1.243890
  C      -6.102199      9.879907      1.874265
  C      -5.409025      9.811799      3.076386
  C      -5.140899      8.573519      3.645127
  F      -4.491857      8.551633      4.826342
  C      -5.567022      7.379472      3.043743
  C      -5.294182      6.019367      3.574323
  O      -6.070610      5.080771      3.366259
  N      -4.099960      5.882784      4.270859
  C      -3.751116      4.663899      4.524988
  C      -6.280904      7.479494      1.848348
  C     -13.809397     -0.732661      4.161240
  C     -12.751937     -0.064518      4.998915
  O     -12.944861      0.262094      6.159601
  C     -11.419010      0.194808      4.350174
  C     -11.033597     -0.376258      3.130432
  C      -9.781846     -0.097020      2.596880
  C      -8.916745      0.740620      3.286523
  F      -7.719061      1.010457      2.703249
  C      -9.255461      1.329161      4.506518
  C      -8.386677      2.234217      5.327596
  O      -8.901894      3.118833      6.018103
  N      -7.032863      1.999656      5.264244
  C      -6.325427      2.450528      6.276375
  C     -10.526782      1.040870      5.011489
  H      -5.158414      5.208352     -1.526986
  H      -3.682663      5.836851     -0.762377
  H      -3.591505      4.490815     -1.952151
  H      -5.620770      2.921010     -2.313170
  H      -6.358556      0.568617     -2.618462
  H      -3.632031     -1.646254      3.876001
  H      -3.921504      1.832407      1.486559
  H      -8.377818     10.533487      0.164235
  H      -6.924559     10.655623     -0.848666
  H      -8.378658      9.847561     -1.491078
  H      -6.292066     10.853870      1.431832
  H      -5.069083     10.710706      3.584446
  H      -4.448051      3.844546      4.057431
  H      -6.629832      6.564212      1.375367
  H     -14.754223     -0.743511      4.710358
  H     -13.510560     -1.766024      3.946278
  H     -13.935252     -0.207485      3.208444
  H     -11.699788     -1.041354      2.588172
  H      -9.459714     -0.518593      1.647868
  H      -6.863155      2.746187      7.194949
  H     -10.824884      1.494959      5.953818
  N      -2.356004      2.157965      3.078518
  N      -1.464270      2.047290      2.009094
  H      -1.646727      2.793079      1.318161
  H      -1.573728      1.131479      1.546853
  H      -0.493509      2.133636      2.340832
91
Coordinates from ORCA-job orca E -6725.100479943678
  N      -3.514914      0.211428      4.868193
  Mo     -3.634365      2.295570      4.686387
  N      -4.948403      2.479743      6.297078
  C      -4.290686      2.930244      7.521896
  C      -3.002081      2.143148      7.741348
  N      -2.202041      1.972250      6.480171
  C      -1.691267      0.576611      6.383431
  C      -2.841340     -0.352333      6.029009
  C      -1.092945      2.964565      6.404441
  C      -1.677983      4.344861      6.076711
  N      -2.787663      4.039480      5.221915
  H      -2.452908     -1.361425      5.823926
  H      -3.554889     -0.437637      6.865792
  H      -0.947773      0.547243      5.576170
  H      -1.209383      0.261709      7.323209
  H      -2.010633      4.886200      6.976231
  H      -0.939007      4.974009      5.557373
  H      -0.520851      2.978778      7.343782
  H      -0.428288      2.657888      5.587408
  H      -4.938546      2.796640      8.401918
  H      -4.082127      4.009887      7.440101
  H      -3.265686      1.148544      8.119632
  H      -2.395731      2.641237      8.512065
  C      -4.170886      5.017232     -1.151932
  C      -4.336170      4.040112     -0.020445
  O      -4.119329      4.367458      1.148798
  C      -4.771042      2.644369     -0.339328
  C      -5.466599      2.280739     -1.506490
  C      -5.914682      0.971977     -1.668497
  C      -5.676487      0.026934     -0.668528
  F      -6.175170     -1.207932     -0.844956
  C      -4.971688      0.345550      0.503682
  C      -4.716576     -0.621326      1.636340
  O      -4.808893     -1.844743      1.521845
  N      -4.392740      0.057449      2.802024
  C      -3.856487     -0.548766      3.831034
  C      -4.521171      1.664158      0.624746
  C      -7.786817      9.842752     -0.705654
  C      -7.270165      8.545387     -0.132690
  O      -7.416959      7.474791     -0.716372
  C      -6.554098      8.595958      1.188035
  C      -6.146370      9.794590      1.798203
  C      -5.466851      9.773332      3.013639
  C      -5.179480      8.551819      3.615462
  F      -4.545046      8.575488      4.805092
  C      -5.571714      7.330389      3.038200
  C      -5.281310      5.981687      3.597089
  O      -6.040197      5.034551      3.390074
  N      -4.076661      5.869388      4.312913
  C      -3.720935      4.655282      4.565941
  C      -6.271671      7.385436      1.827897
  C     -13.792029     -0.714449      4.104686
  C     -12.721002     -0.088165      4.967180
  O     -12.908823      0.162013      6.153832
  C     -11.398784      0.224913      4.322806
  C     -11.029298     -0.266592      3.058829
  C      -9.786303      0.052409      2.519306
  C      -8.913054      0.851977      3.249729
  F      -7.736851      1.171249      2.669164
  C      -9.233977      1.360946      4.514650
  C      -8.347197      2.218841      5.367001
  O      -8.852682      3.065383      6.113352
  N      -6.978946      1.985539      5.268667
  C      -6.287449      2.404211      6.295111
  C     -10.498250      1.034950      5.023590
  H      -5.163179      5.316289     -1.528059
  H      -3.651590      5.915121     -0.798611
  H      -3.619374      4.553299     -1.981144
  H      -5.680450      3.017515     -2.282254
  H      -6.464795      0.667506     -2.559838
  H      -3.643427     -1.633338      3.846573
  H      -3.953510      1.930173      1.513989
  H      -8.413802     10.370006      0.028057
  H      -6.942311     10.501383     -0.962402
  H      -8.366974      9.636844     -1.611784
  H      -6.352687     10.756325      1.327083
  H      -5.152855     10.694504      3.506167
  H      -4.434982      3.835625      4.091255
  H      -6.593500      6.449488      1.369899
  H     -14.729489     -0.767148      4.669287
  H     -13.491344     -1.734178      3.816959
  H     -13.940878     -0.133977      3.182864
  H     -11.705717     -0.901665      2.485697
  H      -9.478560     -0.306187      1.536141
  H      -6.823137      2.687938      7.219195
  H     -10.784209      1.427501      6.000224
  N      -2.426049      2.163697      3.155394
  N      -1.579826      2.084615      2.044765
  H      -1.798798      2.844259      1.363500
  H      -1.689389      1.170409      1.560050
  H      -0.584414      2.176476      2.321881
91
Coordinates from ORCA-job orca E -6725.115838111232
  N      -3.479531      0.207239      4.911956
  Mo     -3.594898      2.288250      4.725913
  N      -4.895184      2.459634      6.333205
  C      -4.244199      2.901544      7.568281
  C      -2.958398      2.112843      7.781606
  N      -2.161553      1.953653      6.510321
  C      -1.644226      0.555030      6.402581
  C      -2.796460     -0.370099      6.058041
  C      -1.053658      2.952549      6.426747
  C      -1.639413      4.332662      6.110162
  N      -2.757793      4.041625      5.258178
  H      -2.417742     -1.381119      5.841494
  H      -3.498118     -0.457256      6.904939
  H      -0.905838      0.537188      5.589861
  H      -1.151756      0.243472      7.338524
  H      -1.966616      4.869543      7.014922
  H      -0.902567      4.963963      5.589211
  H      -0.475348      2.959473      7.362780
  H      -0.396225      2.644074      5.604003
  H      -4.896595      2.759292      8.444030
  H      -4.034841      3.982038      7.499273
  H      -3.214823      1.111486      8.147543
  H      -2.344773      2.601495      8.553580
  C      -4.284614      5.017696     -1.169367
  C      -4.412559      4.055188     -0.018623
  O      -4.114218      4.390983      1.130070
  C      -4.895126      2.665290     -0.295960
  C      -5.641094      2.296636     -1.430804
  C      -6.113983      0.990992     -1.559607
  C      -5.845490      0.052962     -0.559451
  F      -6.360241     -1.178676     -0.706341
  C      -5.093790      0.377015      0.584341
  C      -4.796164     -0.575694      1.713907
  O      -4.895812     -1.800144      1.612765
  N      -4.422596      0.111271      2.868724
  C      -3.854391     -0.526916      3.861079
  C      -4.632467      1.693250      0.671573
  C      -7.704311      9.740095     -0.800403
  C      -7.184701      8.459757     -0.187733
  O      -7.302766      7.378849     -0.762714
  C      -6.507352      8.536883      1.149759
  C      -6.132199      9.752747      1.749842
  C      -5.481311      9.763158      2.981982
  C      -5.192305      8.554235      3.610435
  F      -4.585961      8.606716      4.813612
  C      -5.554692      7.316909      3.046826
  C      -5.262950      5.977128      3.629037
  O      -6.004344      5.022763      3.412508
  N      -4.056372      5.882148      4.364930
  C      -3.695549      4.669181      4.611438
  C      -6.225616      7.341179      1.818075
  C     -13.695344     -0.765181      3.958269
  C     -12.631987     -0.177928      4.860840
  O     -12.824110     -0.031575      6.066160
  C     -11.325551      0.225383      4.242215
  C     -10.955566     -0.150477      2.937368
  C      -9.727128      0.243649      2.413100
  C      -8.866618      1.003959      3.201362
  F      -7.712025      1.408717      2.641297
  C      -9.188358      1.397273      4.509557
  C      -8.308685      2.206688      5.412402
  O      -8.820867      2.988940      6.219830
  N      -6.926931      1.998657      5.285601
  C      -6.245564      2.379382      6.328222
  C     -10.439397      0.999394      5.001269
  H      -5.287211      5.341128     -1.499519
  H      -3.723527      5.904851     -0.852477
  H      -3.788450      4.530259     -2.021459
  H      -5.872042      3.026890     -2.209714
  H      -6.702392      0.682558     -2.426011
  H      -3.657554     -1.614129      3.853961
  H      -4.044161      1.967496      1.544950
  H      -8.360802     10.275054     -0.096378
  H      -6.863928     10.410999     -1.045524
  H      -8.254744      9.507521     -1.719445
  H      -6.340724     10.703959      1.255897
  H      -5.191335     10.697341      3.466905
  H      -4.428876      3.852994      4.130165
  H      -6.522702      6.392983      1.366900
  H     -14.625189     -0.889697      4.525598
  H     -13.371037     -1.750787      3.584132
  H     -13.872141     -0.119633      3.084008
  H     -11.624074     -0.753964      2.320042
  H      -9.422005     -0.023304      1.399326
  H      -6.773001      2.644627      7.262283
  H     -10.726542      1.302262      6.010015
  N      -2.512448      2.200146      3.217895
  N      -1.729728      2.167694      2.062706
  H      -1.998497      2.941776      1.409255
  H      -1.844886      1.263784      1.553981
  H      -0.715938      2.268534      2.275073
91
Coordinates from ORCA-job orca E -6725.126625633843
  N      -3.446303      0.210246      4.967879
  Mo     -3.558699      2.294136      4.767638
  N      -4.838069      2.460309      6.387952
  C      -4.180188      2.893731      7.624236
  C      -2.892593      2.104159      7.822113
  N      -2.109073      1.952691      6.538058
  C      -1.584842      0.554401      6.420679
  C      -2.741671     -0.370413      6.096704
  C      -1.004970      2.957355      6.435729
  C      -1.593856      4.337770      6.129588
  N      -2.726115      4.057128      5.288804
  H      -2.373813     -1.383800      5.871772
  H      -3.424039     -0.454956      6.959502
  H      -0.857698      0.543975      5.597626
  H      -1.075463      0.250576      7.350102
  H      -1.909188      4.872362      7.040044
  H      -0.862198      4.969577      5.601677
  H      -0.413405      2.961517      7.363612
  H      -0.360156      2.645039      5.604192
  H      -4.829041      2.745274      8.501770
  H      -3.969486      3.974487      7.563650
  H      -3.140291      1.098468      8.181376
  H      -2.265569      2.585970      8.587956
  C      -4.528165      4.965389     -1.123562
  C      -4.563858      4.004822      0.035329
  O      -4.108388      4.320519      1.138434
  C      -5.131017      2.637035     -0.179577
  C      -5.981372      2.282275     -1.242880
  C      -6.499699      0.989395     -1.318298
  C      -6.170765      0.049442     -0.337698
  F      -6.723778     -1.169932     -0.433714
  C      -5.322752      0.362955      0.740103
  C      -4.949203     -0.579106      1.851590
  O      -5.072632     -1.802238      1.775796
  N      -4.486386      0.123101      2.968993
  C      -3.864769     -0.518531      3.927171
  C      -4.829392      1.667557      0.776596
  C      -7.556794      9.663365     -0.900320
  C      -7.049074      8.398126     -0.247093
  O      -7.140197      7.308583     -0.811095
  C      -6.420003      8.498961      1.109949
  C      -6.073046      9.727327      1.701858
  C      -5.459401      9.762895      2.952216
  C      -5.181628      8.565630      3.607753
  F      -4.610448      8.640013      4.826602
  C      -5.519967      7.317646      3.055588
  C      -5.237962      5.987041      3.662887
  O      -5.965663      5.026095      3.436298
  N      -4.036387      5.905466      4.417557
  C      -3.670981      4.691615      4.657139
  C      -6.152950      7.316831      1.806781
  C     -13.483741     -0.867639      3.649740
  C     -12.457253     -0.323047      4.619975
  O     -12.668159     -0.315745      5.830828
  C     -11.171343      0.210698      4.066536
  C     -10.777305     -0.002432      2.732288
  C      -9.569059      0.505937      2.263613
  C      -8.750539      1.217915      3.137535
  F      -7.620757      1.747875      2.634551
  C      -9.097577      1.447923      4.479167
  C      -8.257606      2.199136      5.463896
  O      -8.800173      2.885818      6.333196
  N      -6.864924      2.041521      5.327353
  C      -6.191643      2.378791      6.388630
  C     -10.329193      0.940926      4.913548
  H      -5.545858      5.336529     -1.337690
  H      -3.894506      5.824378     -0.873281
  H      -4.156018      4.459938     -2.026920
  H      -6.252498      3.011489     -2.009725
  H      -7.166669      0.690871     -2.129338
  H      -3.684190     -1.607985      3.918903
  H      -4.185862      1.938317      1.609154
  H      -8.241966     10.207017     -0.230894
  H      -6.715414     10.339690     -1.127171
  H      -8.071777      9.409118     -1.833927
  H      -6.273005     10.668487      1.185696
  H      -5.190027     10.706312      3.430782
  H      -4.426359      3.880129      4.179547
  H      -6.428584      6.359825      1.361140
  H     -14.407562     -1.099380      4.192464
  H     -13.107086     -1.789836      3.175780
  H     -13.691710     -0.145980      2.844354
  H     -11.413980     -0.567228      2.048365
  H      -9.249107      0.367823      1.228923
  H      -6.710367      2.620533      7.333525
  H     -10.636110      1.117201      5.946293
  N      -2.600685      2.241110      3.238456
  N      -1.903636      2.262110      2.031778
  H      -2.236688      3.049418      1.423641
  H      -2.035789      1.372702      1.502592
  H      -0.877473      2.375861      2.166742
91
Coordinates from ORCA-job orca E -6725.135754090954
  N      -3.426341      0.205594      5.034561
  Mo     -3.529662      2.292090      4.799643
  N      -4.787060      2.476647      6.437520
  C      -4.116838      2.910206      7.667115
  C      -2.829296      2.116396      7.854470
  N      -2.062212      1.955595      6.559997
  C      -1.536436      0.556112      6.446216
  C      -2.700594     -0.368568      6.150888
  C      -0.959213      2.959846      6.428052
  C      -1.545510      4.340388      6.118005
  N      -2.693122      4.065400      5.292330
  H      -2.346895     -1.387318      5.927812
  H      -3.363457     -0.439803      7.029862
  H      -0.821575      0.541815      5.612646
  H      -1.010960      0.266873      7.371048
  H      -1.845871      4.883225      7.028553
  H      -0.816486      4.963798      5.576846
  H      -0.353359      2.969637      7.346719
  H      -0.328799      2.633312      5.590866
  H      -4.760380      2.767362      8.549541
  H      -3.900122      3.989529      7.602952
  H      -3.072801      1.112040      8.218686
  H      -2.185907      2.597075      8.607297
  C      -4.765590      4.873715     -1.053120
  C      -4.693195      3.907597      0.098378
  O      -4.053226      4.181231      1.122228
  C      -5.369433      2.580996     -0.027178
  C      -6.344632      2.261881     -0.989080
  C      -6.928339      0.995648     -0.992355
  C      -6.542039      0.046459     -0.041810
  F      -7.155575     -1.146714     -0.068410
  C      -5.579832      0.329477      0.943346
  C      -5.134180     -0.608822      2.028646
  O      -5.303040     -1.826441      1.988855
  N      -4.563974      0.103604      3.090200
  C      -3.892068     -0.530794      4.019274
  C      -5.030435      1.608872      0.911803
  C      -7.454553      9.645244     -0.954226
  C      -6.947915      8.385118     -0.292438
  O      -7.018803      7.297226     -0.861574
  C      -6.348579      8.487760      1.075723
  C      -6.027419      9.718513      1.676229
  C      -5.439222      9.758888      2.937593
  C      -5.162915      8.563643      3.596519
  F      -4.617110      8.639471      4.826314
  C      -5.476684      7.314401      3.037341
  C      -5.195132      5.986317      3.649110
  O      -5.905282      5.016964      3.403355
  N      -4.006236      5.917874      4.427083
  C      -3.642056      4.702536      4.670578
  C      -6.083394      7.308028      1.776141
  C     -13.214742     -0.959854      3.281576
  C     -12.240353     -0.446305      4.319526
  O     -12.478432     -0.556102      5.519046
  C     -10.975999      0.202193      3.849960
  C     -10.545789      0.132732      2.512760
  C      -9.359437      0.744549      2.119649
  C      -8.597273      1.415806      3.072655
  F      -7.492787      2.057683      2.645006
  C      -8.981830      1.499915      4.421527
  C      -8.198477      2.201354      5.484799
  O      -8.782186      2.796619      6.391119
  N      -6.799137      2.093582      5.363216
  C      -6.138607      2.398983      6.442581
  C     -10.191716      0.894863      4.779000
  H      -5.775326      5.315495     -1.114961
  H      -4.046309      5.685783     -0.898194
  H      -4.567349      4.356527     -2.003393
  H      -6.655122      2.994865     -1.736101
  H      -7.688917      0.723256     -1.725512
  H      -3.731966     -1.622944      4.025745
  H      -4.313716      1.861173      1.685080
  H      -8.157861     10.182391     -0.299517
  H      -6.617509     10.331711     -1.162808
  H      -7.947180      9.386164     -1.897835
  H      -6.228128     10.657379      1.157794
  H      -5.189902     10.703368      3.423119
  H      -4.422130      3.897008      4.207405
  H      -6.340348      6.349711      1.324218
  H     -14.133442     -1.287191      3.780756
  H     -12.778931     -1.814824      2.738753
  H     -13.447650     -0.185450      2.534956
  H     -11.138923     -0.399184      1.767377
  H      -9.015424      0.720376      1.084356
  H      -6.653881      2.625294      7.392739
  H     -10.527591      0.958875      5.815300
  N      -2.686239      2.255574      3.228455
  N      -2.085763      2.335954      1.975687
  H      -2.491166      3.135588      1.430086
  H      -2.238472      1.463618      1.428684
  H      -1.055836      2.465928      2.032345
91
Coordinates from ORCA-job orca E -6725.142304821353
  N      -3.443075      0.218621      5.070681
  Mo     -3.527416      2.306698      4.799037
  N      -4.793372      2.512453      6.439659
  C      -4.129572      2.949648      7.669198
  C      -2.848014      2.148737      7.869298
  N      -2.077180      1.973422      6.580691
  C      -1.551694      0.572933      6.480467
  C      -2.719060     -0.350250      6.188711
  C      -0.971925      2.974145      6.440769
  C      -1.547195      4.355857      6.115875
  N      -2.693516      4.088283      5.281850
  H      -2.376272     -1.374246      5.974107
  H      -3.380718     -0.408240      7.069518
  H      -0.833484      0.552839      5.650214
  H      -1.028750      0.297045      7.410294
  H      -1.849746      4.907013      7.020403
  H      -0.808456      4.969379      5.577221
  H      -0.369298      2.989448      7.361535
  H      -0.340018      2.633145      5.610574
  H      -4.781379      2.814340      8.546726
  H      -3.905434      4.027207      7.602041
  H      -3.097591      1.148016      8.237337
  H      -2.199294      2.627935      8.618129
  C      -4.854122      4.657628     -1.206315
  C      -4.748630      3.733078     -0.028711
  O      -4.046371      4.027878      0.954665
  C      -5.456962      2.422671     -0.071577
  C      -6.444356      2.071308     -1.008561
  C      -7.040777      0.814834     -0.945396
  C      -6.655620     -0.094127      0.044010
  F      -7.275741     -1.283369      0.071916
  C      -5.689248      0.224677      1.010935
  C      -5.239484     -0.666849      2.133287
  O      -5.410648     -1.882393      2.142405
  N      -4.626997      0.078567      3.146632
  C      -3.935536     -0.530988      4.078771
  C      -5.132528      1.494976      0.916233
  C      -7.320966      9.930651     -0.870567
  C      -6.820347      8.637298     -0.275925
  O      -6.879495      7.586539     -0.910214
  C      -6.247336      8.661043      1.105039
  C      -5.952120      9.857703      1.780994
  C      -5.394080      9.831961      3.054459
  C      -5.123733      8.604486      3.651507
  F      -4.610445      8.612742      4.896679
  C      -5.409082      7.387209      3.016635
  C      -5.132317      6.033959      3.572215
  O      -5.818849      5.066996      3.254316
  N      -3.981096      5.951316      4.401021
  C      -3.630909      4.729670      4.651692
  C      -5.984321      7.445731      1.742576
  C     -13.086477     -1.114154      3.228396
  C     -12.132362     -0.580044      4.273023
  O     -12.364773     -0.718829      5.468606
  C     -10.895516      0.124859      3.815576
  C     -10.468322      0.101774      2.478101
  C      -9.306921      0.764101      2.096445
  C      -8.565208      1.440903      3.060272
  F      -7.481757      2.129968      2.643978
  C      -8.950387      1.480808      4.409879
  C      -8.193601      2.190463      5.486006
  O      -8.794279      2.745722      6.403704
  N      -6.794542      2.126188      5.359107
  C      -6.139048      2.434859      6.442801
  C     -10.134678      0.825508      4.756579
  H      -5.852596      5.125290     -1.236837
  H      -4.109629      5.455140     -1.113728
  H      -4.716909      4.106936     -2.147096
  H      -6.749672      2.768615     -1.789168
  H      -7.808931      0.516243     -1.658516
  H      -3.786609     -1.623709      4.112962
  H      -4.432586      1.781708      1.688144
  H      -8.036648     10.426224     -0.198705
  H      -6.485848     10.631987     -1.023416
  H      -7.795465      9.724901     -1.835272
  H      -6.152786     10.821229      1.313041
  H      -5.166983     10.748201      3.598665
  H      -4.428037      3.936036      4.186634
  H      -6.223374      6.513360      1.233240
  H     -13.989016     -1.485370      3.724191
  H     -12.619418     -1.940670      2.670202
  H     -13.351747     -0.339270      2.494806
  H     -11.044493     -0.433795      1.724025
  H      -8.968911      0.775797      1.061267
  H      -6.652114      2.653612      7.395380
  H     -10.469944      0.854365      5.793839
  N      -2.760474      2.286902      3.190834
  N      -2.236704      2.445987      1.913788
  H      -2.715414      3.260977      1.444680
  H      -2.397223      1.597938      1.339735
  H      -1.211617      2.598019      1.918880
91
Coordinates from ORCA-job orca E -6725.147854146187
  N      -3.466882      0.228605      5.076089
  Mo     -3.538881      2.311356      4.801960
  N      -4.828794      2.512816      6.442425
  C      -4.181160      2.948398      7.677596
  C      -2.902182      2.146381      7.889908
  N      -2.119156      1.972982      6.613403
  C      -1.589150      0.575428      6.510915
  C      -2.751539     -0.352161      6.193513
  C      -1.016030      2.976034      6.489119
  C      -1.586298      4.358851      6.161724
  N      -2.719680      4.096782      5.306865
  H      -2.406578     -1.373281      5.971200
  H      -3.422771     -0.420752      7.066281
  H      -0.861634      0.564285      5.689086
  H      -1.075522      0.298528      7.445009
  H      -1.903687      4.905033      7.063697
  H      -0.837074      4.974497      5.641163
  H      -0.423692      2.990982      7.416540
  H      -0.372869      2.637166      5.667017
  H      -4.843775      2.806745      8.545807
  H      -3.958625      4.026641      7.618465
  H      -3.158285      1.145774      8.252314
  H      -2.256743      2.620555      8.644150
  C      -5.017794      4.692667     -1.331603
  C      -4.863814      3.811377     -0.136586
  O      -4.170579      4.185752      0.831596
  C      -5.495291      2.465372     -0.146610
  C      -6.413337      2.042580     -1.123909
  C      -6.944542      0.761553     -1.063576
  C      -6.561858     -0.108253     -0.040621
  F      -7.112117     -1.330867     -0.029057
  C      -5.667650      0.272463      0.969092
  C      -5.234746     -0.609832      2.111466
  O      -5.368028     -1.828580      2.094256
  N      -4.652476      0.120075      3.146716
  C      -3.974033     -0.503131      4.081816
  C      -5.177857      1.573688      0.884711
  C      -7.085863     10.034272     -0.908288
  C      -6.639340      8.727998     -0.303426
  O      -6.712790      7.679876     -0.938501
  C      -6.100667      8.735788      1.090684
  C      -5.790163      9.922613      1.775311
  C      -5.262152      9.880294      3.059935
  C      -5.038259      8.646349      3.661126
  F      -4.553099      8.638401      4.916957
  C      -5.342088      7.438622      3.018028
  C      -5.112409      6.081197      3.581745
  O      -5.819696      5.130373      3.251867
  N      -3.983960      5.972324      4.428471
  C      -3.645200      4.742151      4.669910
  C      -5.885618      7.513945      1.732021
  C     -13.065011     -1.313243      3.381473
  C     -12.097677     -0.754381      4.398189
  O     -12.284776     -0.906143      5.598493
  C     -10.900114     -0.006185      3.905170
  C     -10.520964      0.002381      2.555667
  C      -9.393904      0.703946      2.145564
  C      -8.636724      1.389083      3.089631
  F      -7.582106      2.109009      2.642843
  C      -8.977570      1.401271      4.449688
  C      -8.217512      2.123446      5.516404
  O      -8.814995      2.649536      6.452500
  N      -6.826021      2.104883      5.361183
  C      -6.165258      2.427152      6.441578
  C     -10.128075      0.706220      4.826875
  H      -6.040808      5.098452     -1.383796
  H      -4.323910      5.535164     -1.258085
  H      -4.837413      4.124262     -2.249103
  H      -6.713359      2.705109     -1.934142
  H      -7.657817      0.410171     -1.807212
  H      -3.827462     -1.596469      4.099784
  H      -4.561251      1.913659      1.703104
  H      -7.802395     10.549758     -0.254763
  H      -6.228099     10.710109     -1.038457
  H      -7.540927      9.842573     -1.884059
  H      -5.954796     10.890274      1.305268
  H      -5.023622     10.788398      3.610378
  H      -4.444944      3.963345      4.188415
  H      -6.136740      6.589489      1.215845
  H     -13.936828     -1.717488      3.903548
  H     -12.588924     -2.118467      2.802988
  H     -13.379539     -0.544202      2.663344
  H     -11.106640     -0.538759      1.815011
  H      -9.096872      0.740090      1.101226
  H      -6.678392      2.630332      7.397140
  H     -10.428160      0.712723      5.874314
  N      -2.809934      2.305804      3.145823
  N      -2.334196      2.517508      1.856525
  H      -2.879816      3.335221      1.432355
  H      -2.498936      1.684345      1.270765
  H      -1.316679      2.689317      1.837851
91
Coordinates from ORCA-job orca E -6725.152246086305
  N      -3.474850      0.215433      5.113351
  Mo     -3.530518      2.283454      4.805368
  N      -4.818877      2.517536      6.448107
  C      -4.171041      2.968838      7.678200
  C      -2.900092      2.159599      7.904387
  N      -2.119858      1.962409      6.630942
  C      -1.594676      0.561627      6.542329
  C      -2.759166     -0.365614      6.231160
  C      -1.012409      2.958701      6.494646
  C      -1.576728      4.338558      6.153132
  N      -2.707106      4.072311      5.295952
  H      -2.417504     -1.388568      6.012357
  H      -3.430529     -0.429624      7.104565
  H      -0.868367      0.540917      5.719340
  H      -1.080918      0.291060      7.478335
  H      -1.897101      4.894577      7.048017
  H      -0.821384      4.946473      5.631961
  H      -0.417919      2.984132      7.420861
  H      -0.369911      2.608914      5.676426
  H      -4.836615      2.842574      8.546443
  H      -3.941616      4.044897      7.605818
  H      -3.167150      1.166602      8.281798
  H      -2.249240      2.637946      8.651674
  C      -5.083080      4.769619     -1.290029
  C      -4.834666      3.867001     -0.126785
  O      -4.043428      4.228137      0.770106
  C      -5.497399      2.538506     -0.088396
  C      -6.437362      2.131219     -1.054537
  C      -6.996027      0.862542     -0.988027
  C      -6.620747     -0.013939      0.031592
  F      -7.193599     -1.225396      0.044458
  C      -5.713046      0.351368      1.037455
  C      -5.295310     -0.552395      2.169324
  O      -5.477033     -1.766809      2.143365
  N      -4.685603      0.147808      3.206402
  C      -4.021218     -0.504547      4.130806
  C      -5.195756      1.645117      0.951538
  C      -7.047444      9.996995     -0.961575
  C      -6.601323      8.693825     -0.346619
  O      -6.674035      7.639289     -0.973109
  C      -6.063324      8.710491      1.048771
  C      -5.762190      9.900891      1.733187
  C      -5.236525      9.863575      3.020307
  C      -5.005441      8.631237      3.624251
  F      -4.525442      8.630314      4.882461
  C      -5.298805      7.419393      2.978846
  C      -5.066261      6.061313      3.540350
  O      -5.767169      5.109445      3.198561
  N      -3.951132      5.951462      4.401418
  C      -3.627326      4.719221      4.650543
  C      -5.840141      7.490964      1.691475
  C     -12.982728     -1.419256      3.329437
  C     -12.021445     -0.865158      4.355392
  O     -12.185698     -1.069441      5.553059
  C     -10.856855     -0.056529      3.874799
  C     -10.504329      0.025940      2.519177
  C      -9.406634      0.781332      2.122092
  C      -8.651729      1.445088      3.083613
  F      -7.626694      2.212943      2.652095
  C      -8.966459      1.386800      4.448827
  C      -8.210399      2.088198      5.534934
  O      -8.814452      2.568044      6.494179
  N      -6.819971      2.104613      5.367360
  C      -6.155946      2.431968      6.445701
  C     -10.089207      0.639381      4.814536
  H      -6.097622      5.196783     -1.242419
  H      -4.368621      5.598049     -1.272640
  H      -5.000875      4.210202     -2.228912
  H      -6.729352      2.796829     -1.866004
  H      -7.724149      0.525050     -1.725026
  H      -3.900990     -1.601715      4.138710
  H      -4.584136      1.977575      1.782672
  H      -7.765536     10.517675     -0.312328
  H      -6.188713     10.672409     -1.095114
  H      -7.501325      9.798306     -1.937234
  H      -5.933966     10.867707      1.261746
  H      -5.006487     10.774748      3.571282
  H      -4.435583      3.951517      4.174716
  H      -6.083753      6.563538      1.174469
  H     -13.832334     -1.875707      3.846626
  H     -12.485340     -2.183587      2.712905
  H     -13.335623     -0.634190      2.646031
  H     -11.087949     -0.498746      1.763660
  H      -9.133058      0.876739      1.073312
  H      -6.670791      2.634053      7.400765
  H     -10.369898      0.590174      5.866892
  N      -2.859533      2.259225      3.137709
  N      -2.432994      2.484693      1.830135
  H      -3.030414      3.291299      1.419535
  H      -2.610754      1.647791      1.249302
  H      -1.418845      2.674667      1.779807
91
Coordinates from ORCA-job orca E -6725.155288801124
  N      -3.468435      0.220763      5.167454
  Mo     -3.495641      2.271587      4.800455
  N      -4.787377      2.561561      6.435175
  C      -4.143176      3.035484      7.660764
  C      -2.885218      2.215096      7.914848
  N      -2.101422      1.981028      6.649601
  C      -1.584256      0.576505      6.589070
  C      -2.752734     -0.345957      6.294804
  C      -0.983985      2.964109      6.498180
  C      -1.536483      4.338857      6.128705
  N      -2.660257      4.062185      5.268169
  H      -2.417988     -1.375067      6.094080
  H      -3.424539     -0.390196      7.169716
  H      -0.857401      0.534021      5.766729
  H      -1.074375      0.317646      7.530968
  H      -1.862418      4.913534      7.009956
  H      -0.771678      4.933058      5.604555
  H      -0.390774      3.006096      7.425289
  H      -0.339684      2.595221      5.689357
  H      -4.817005      2.935990      8.526190
  H      -3.900593      4.107114      7.567456
  H      -3.170614      1.234422      8.314451
  H      -2.232422      2.701529      8.656001
  C      -5.269548      4.626685     -1.277034
  C      -4.967224      3.736807     -0.114294
  O      -4.108809      4.108670      0.715132
  C      -5.644690      2.422881     -0.005822
  C      -6.593500      1.987911     -0.955655
  C      -7.160692      0.723753     -0.848821
  C      -6.778742     -0.125447      0.192452
  F      -7.348147     -1.336829      0.236393
  C      -5.861984      0.271653      1.182970
  C      -5.418832     -0.603663      2.325035
  O      -5.614629     -1.819525      2.336759
  N      -4.753029      0.119498      3.310500
  C      -4.060037     -0.518150      4.221956
  C      -5.349210      1.564599      1.065386
  C      -7.109019     10.123078     -0.857566
  C      -6.658221      8.801847     -0.280443
  O      -6.779017      7.754997     -0.915518
  C      -6.055601      8.789687      1.090754
  C      -5.713553      9.965917      1.783030
  C      -5.135380      9.900893      3.048133
  C      -4.892785      8.655150      3.622167
  F      -4.365326      8.632024      4.861515
  C      -5.222687      7.454885      2.965357
  C      -4.988253      6.082732      3.495566
  O      -5.718043      5.148627      3.163392
  N      -3.870022      5.947543      4.347602
  C      -3.571264      4.711363      4.608350
  C      -5.815552      7.555863      1.701659
  C     -12.829946     -1.457922      3.103721
  C     -11.900648     -0.902989      4.160478
  O     -12.076857     -1.144110      5.352399
  C     -10.751694     -0.047703      3.717841
  C     -10.387725      0.089612      2.366809
  C      -9.304552      0.886754      2.007050
  C      -8.576849      1.535305      3.000651
  F      -7.566915      2.338810      2.608581
  C      -8.902326      1.425792      4.360467
  C      -8.173254      2.114496      5.476393
  O      -8.805925      2.558511      6.438802
  N      -6.779589      2.151296      5.330278
  C      -6.127493      2.483791      6.415598
  C     -10.011246      0.637666      4.689617
  H      -6.273553      5.071765     -1.181882
  H      -4.543041      5.444771     -1.316226
  H      -5.246805      4.047987     -2.211147
  H      -6.884762      2.629116     -1.788632
  H      -7.895348      0.366967     -1.572864
  H      -3.963749     -1.617731      4.257567
  H      -4.753663      1.922170      1.903547
  H      -7.788480     10.647617     -0.167956
  H      -6.243115     10.785753     -1.020962
  H      -7.611087      9.946645     -1.815337
  H      -5.897327     10.944429      1.336089
  H      -4.875019     10.801793      3.606383
  H      -4.386654      3.956843      4.140771
  H      -6.091315      6.639102      1.178498
  H     -13.674376     -1.954873      3.594611
  H     -12.298343     -2.190514      2.473954
  H     -13.196984     -0.663674      2.435720
  H     -10.950843     -0.424102      1.585639
  H      -9.023341      1.027129      0.961558
  H      -6.659378      2.697642      7.359369
  H     -10.301735      0.547205      5.737947
  N      -2.844334      2.214764      3.137213
  N      -2.433042      2.438987      1.817030
  H      -3.059092      3.240663      1.382669
  H      -2.614759      1.592378      1.242024
  H      -1.418164      2.638229      1.761909
91
Coordinates from ORCA-job orca E -6725.157275837888
  N      -3.465778      0.238929      5.092420
  Mo     -3.494437      2.286489      4.739819
  N      -4.840706      2.551562      6.344193
  C      -4.238462      3.024360      7.591257
  C      -2.987848      2.206402      7.880995
  N      -2.163336      1.988517      6.640801
  C      -1.632891      0.590135      6.579576
  C      -2.780000     -0.338325      6.234143
  C      -1.049565      2.981757      6.538045
  C      -1.604893      4.355530      6.170996
  N      -2.692685      4.077416      5.266954
  H      -2.425433     -1.359596      6.026757
  H      -3.480084     -0.405621      7.085267
  H      -0.879337      0.564200      5.780675
  H      -1.152387      0.320956      7.534067
  H      -1.970309      4.913579      7.047650
  H      -0.828271      4.966961      5.684856
  H      -0.484663      3.017438      7.483219
  H      -0.376210      2.631204      5.744642
  H      -4.939574      2.912352      8.433385
  H      -4.001694      4.098273      7.514488
  H      -3.284730      1.221406      8.262678
  H      -2.361777      2.687941      8.648223
  C      -5.178708      4.702367     -1.291254
  C      -4.846256      3.756378     -0.177284
  O      -3.988681      4.111866      0.662856
  C      -5.495357      2.429048     -0.118546
  C      -6.363358      1.974510     -1.135796
  C      -6.900830      0.693342     -1.078850
  C      -6.569744     -0.152444     -0.016663
  F      -7.104237     -1.378963     -0.021724
  C      -5.738696      0.268596      1.039999
  C      -5.343230     -0.597869      2.203484
  O      -5.520516     -1.817519      2.206718
  N      -4.720301      0.135508      3.210558
  C      -4.045245     -0.499245      4.135791
  C      -5.256900      1.575036      0.967572
  C      -6.938833     10.273537     -0.874231
  C      -6.512174      8.938453     -0.309501
  O      -6.613105      7.904973     -0.969829
  C      -5.956532      8.895940      1.081646
  C      -5.644711     10.056256      1.813939
  C      -5.110028      9.962133      3.096569
  C      -4.880815      8.703631      3.648499
  F      -4.396871      8.654807      4.904601
  C      -5.181725      7.517682      2.951403
  C      -4.962419      6.132703      3.456569
  O      -5.669061      5.203976      3.062145
  N      -3.874830      5.976568      4.342612
  C      -3.585509      4.734269      4.587103
  C      -5.731007      7.648336      1.670559
  C     -13.007504     -1.623592      3.505471
  C     -12.020029     -1.022735      4.481863
  O     -12.123434     -1.216429      5.691283
  C     -10.904535     -0.181683      3.937643
  C     -10.629654     -0.086644      2.561462
  C      -9.572196      0.697944      2.108160
  C      -8.782376      1.375509      3.033195
  F      -7.789641      2.152467      2.556727
  C      -9.022451      1.315436      4.412085
  C      -8.234929      2.050704      5.455867
  O      -8.823796      2.507284      6.440957
  N      -6.848601      2.100555      5.242152
  C      -6.181529      2.452465      6.311810
  C     -10.105726      0.536574      4.837012
  H      -6.191401      5.119432     -1.165684
  H      -4.470920      5.537696     -1.291308
  H      -5.151671      4.178830     -2.259886
  H      -6.612835      2.613652     -1.983772
  H      -7.572407      0.321942     -1.855358
  H      -3.945580     -1.598230      4.168243
  H      -4.749900      1.943685      1.858573
  H      -7.641531     10.785366     -0.197828
  H      -6.065008     10.936330     -0.991685
  H      -7.406914     10.119778     -1.853286
  H      -5.818227     11.045269      1.385130
  H      -4.873839     10.850434      3.685612
  H      -4.378479      3.992382      4.078742
  H      -5.983550      6.743809      1.115601
  H     -13.817754     -2.105612      4.064822
  H     -12.508446     -2.377642      2.873601
  H     -13.420050     -0.857342      2.830701
  H     -11.240961     -0.624397      1.834032
  H      -9.358666      0.805548      1.042542
  H      -6.715434      2.656477      7.257054
  H     -10.330343      0.483030      5.904084
  N      -2.802719      2.262707      3.100368
  N      -2.364611      2.522488      1.792847
  H      -3.007469      3.317314      1.333007
  H      -2.510935      1.681465      1.198026
  H      -1.354793      2.750393      1.773186
91
Coordinates from ORCA-job orca E -6725.159227096969
  N      -3.489104      0.214464      5.172393
  Mo     -3.489039      2.239606      4.755252
  N      -4.831277      2.573073      6.356196
  C      -4.223807      3.075537      7.587434
  C      -2.982141      2.249156      7.900590
  N      -2.160276      1.983666      6.668763
  C      -1.650476      0.576072      6.646884
  C      -2.810011     -0.349919      6.324305
  C      -1.032178      2.956263      6.531918
  C      -1.568436      4.327255      6.123267
  N      -2.661501      4.035200      5.229372
  H      -2.465407     -1.377888      6.134517
  H      -3.510013     -0.394502      7.176571
  H      -0.898901      0.518847      5.848177
  H      -1.171751      0.325584      7.606978
  H      -1.926265      4.915899      6.982599
  H      -0.784305      4.914315      5.619876
  H      -0.461155      3.011830      7.472143
  H      -0.368896      2.571361      5.746274
  H      -4.926883      2.995908      8.431624
  H      -3.975562      4.143591      7.479934
  H      -3.293770      1.280267      8.308629
  H      -2.349261      2.741833      8.654547
  C      -5.257508      4.760307     -1.266247
  C      -4.842130      3.808286     -0.186544
  O      -3.940931      4.178807      0.603891
  C      -5.473764      2.476332     -0.096476
  C      -6.327213      2.001712     -1.115020
  C      -6.861488      0.723654     -1.044727
  C      -6.545762     -0.101304      0.036163
  F      -7.080072     -1.326679      0.044446
  C      -5.732843      0.334810      1.098736
  C      -5.372395     -0.540161      2.272102
  O      -5.599984     -1.748853      2.274923
  N      -4.744121      0.155972      3.300459
  C      -4.110113     -0.511846      4.236152
  C      -5.244595      1.641641      1.010655
  C      -7.070416     10.254657     -0.817099
  C      -6.641605      8.913428     -0.273869
  O      -6.807874      7.882067     -0.921247
  C      -6.004281      8.863363      1.080330
  C      -5.639092     10.018752      1.792920
  C      -5.036480      9.917594      3.042949
  C      -4.792678      8.657410      3.582045
  F      -4.242670      8.601859      4.809555
  C      -5.142241      7.476575      2.903863
  C      -4.917504      6.091243      3.403884
  O      -5.646159      5.167166      3.036720
  N      -3.816137      5.932721      4.268763
  C      -3.548593      4.688832      4.538560
  C      -5.758485      7.613797      1.655483
  C     -12.917333     -1.633985      3.385353
  C     -11.946897     -1.043813      4.382952
  O     -12.048272     -1.279474      5.582692
  C     -10.849448     -0.162398      3.871690
  C     -10.581252     -0.005287      2.501730
  C      -9.539340      0.814198      2.079265
  C      -8.756741      1.464386      3.028854
  F      -7.775719      2.278456      2.581833
  C      -8.993201      1.342601      4.403812
  C      -8.217547      2.046868      5.474860
  O      -8.816293      2.483629      6.460444
  N      -6.833929      2.110156      5.265977
  C      -6.168260      2.482530      6.329560
  C     -10.061709      0.530625      4.797624
  H      -6.269170      5.152738     -1.076082
  H      -4.567638      5.609037     -1.294656
  H      -5.277719      4.256454     -2.243087
  H      -6.568930      2.625206     -1.974702
  H      -7.521809      0.339278     -1.822215
  H      -4.051745     -1.612822      4.270945
  H      -4.751579      2.025377      1.900966
  H      -7.718621     10.783153     -0.102687
  H      -6.191229     10.895639     -0.988652
  H      -7.599162     10.109219     -1.764724
  H      -5.825529     11.008458      1.375542
  H      -4.759050     10.801460      3.617374
  H      -4.354649      3.952328      4.052574
  H      -6.052463      6.713553      1.117448
  H     -13.715427     -2.153930      3.925400
  H     -12.399552     -2.352293      2.730078
  H     -13.347210     -0.856196      2.737426
  H     -11.185391     -0.520854      1.755209
  H      -9.333081      0.970597      1.021309
  H      -6.701806      2.712603      7.268791
  H     -10.282744      0.429252      5.860709
  N      -2.835565      2.151352      3.095859
  N      -2.433611      2.358992      1.773743
  H      -3.107692      3.123798      1.291454
  H      -2.590183      1.496074      1.223795
  H      -1.430552      2.591882      1.719031
91
Coordinates from ORCA-job orca E -6725.162352986478
  N      -3.482507      0.231041      5.187947
  Mo     -3.487713      2.258375      4.771260
  N      -4.810307      2.588486      6.392920
  C      -4.186123      3.079006      7.620487
  C      -2.942612      2.246268      7.914534
  N      -2.133800      1.988327      6.672595
  C      -1.623080      0.582916      6.637999
  C      -2.784662     -0.341455      6.324354
  C      -1.006861      2.960497      6.524734
  C      -1.547213      4.335363      6.132984
  N      -2.652125      4.050688      5.250246
  H      -2.439919     -1.366099      6.117845
  H      -3.471598     -0.397057      7.186432
  H      -0.880248      0.530467      5.830899
  H      -1.133207      0.327542      7.591105
  H      -1.895010      4.916922      7.001089
  H      -0.769059      4.926711      5.625620
  H      -0.419770      3.008224      7.455418
  H      -0.357969      2.579782      5.725216
  H      -4.880646      2.996871      8.471406
  H      -3.934539      4.146635      7.517801
  H      -3.252772      1.274862      8.316922
  H      -2.300444      2.730328      8.666197
  C      -5.559438      4.743447     -1.144775
  C      -5.065910      3.753859     -0.136032
  O      -4.115517      4.099488      0.608828
  C      -5.681545      2.419702     -0.032582
  C      -6.539153      1.917552     -1.033761
  C      -7.046072      0.630428     -0.939551
  C      -6.698460     -0.174988      0.146986
  F      -7.205216     -1.411196      0.176408
  C      -5.878135      0.290102      1.191002
  C      -5.471236     -0.561041      2.365792
  O      -5.704498     -1.766759      2.406615
  N      -4.805042      0.153620      3.358129
  C      -4.140849     -0.500653      4.282037
  C      -5.417716      1.603320      1.078962
  C      -6.913212     10.202634     -0.901973
  C      -6.529327      8.871718     -0.304079
  O      -6.701473      7.823965     -0.922036
  C      -5.923676      8.853100      1.065063
  C      -5.556067     10.022611      1.752349
  C      -4.978290      9.947781      3.015491
  C      -4.761563      8.700195      3.593647
  F      -4.232921      8.672086      4.831181
  C      -5.117459      7.506390      2.943061
  C      -4.922956      6.131348      3.481880
  O      -5.638366      5.204163      3.094887
  N      -3.811932      5.965477      4.330704
  C      -3.547814      4.715666      4.581417
  C      -5.708622      7.617925      1.680535
  C     -12.727373     -1.690932      3.150380
  C     -11.798638     -1.110528      4.191903
  O     -11.909699     -1.407805      5.376198
  C     -10.729588     -0.162891      3.743665
  C     -10.455410      0.081838      2.388344
  C      -9.439492      0.959211      2.024089
  C      -8.688078      1.579213      3.017510
  F      -7.731313      2.451642      2.627350
  C      -8.933417      1.371710      4.380964
  C      -8.191533      2.042472      5.496801
  O      -8.812313      2.418587      6.492909
  N      -6.808447      2.138203      5.305151
  C      -6.144476      2.491992      6.377465
  C      -9.976244      0.503250      4.716187
  H      -6.564092      5.107515     -0.876459
  H      -4.884314      5.603886     -1.176263
  H      -5.631873      4.287683     -2.140679
  H      -6.804787      2.524856     -1.897388
  H      -7.708904      0.223253     -1.702581
  H      -4.088954     -1.601176      4.331381
  H      -4.907440      2.003559      1.952285
  H      -7.568298     10.768040     -0.223577
  H      -6.015998     10.818465     -1.069562
  H      -7.419305     10.037326     -1.858275
  H      -5.718422     11.002347      1.303793
  H      -4.697649     10.843036      3.569640
  H      -4.362464      3.992674      4.097486
  H      -6.003540      6.707163      1.161429
  H     -13.509482     -2.270839      3.650574
  H     -12.169362     -2.352202      2.469331
  H     -13.181587     -0.901366      2.534651
  H     -11.034888     -0.410026      1.607710
  H      -9.230715      1.184290      0.979548
  H      -6.675108      2.706545      7.321940
  H     -10.203701      0.333760      5.768935
  N      -2.877400      2.194931      3.087554
  N      -2.518379      2.443183      1.761534
  H      -3.231043      3.203914      1.311900
  H      -2.661911      1.588135      1.198758
  H      -1.525314      2.706853      1.688334
91
Coordinates from ORCA-job orca E -6725.164160512333
  N      -3.523334      0.245407      5.225771
  Mo     -3.497426      2.256934      4.748384
  N      -4.812532      2.660654      6.358446
  C      -4.179417      3.172170      7.574621
  C      -2.954061      2.322499      7.896097
  N      -2.145777      2.014378      6.664842
  C      -1.661543      0.601005      6.671745
  C      -2.835467     -0.311123      6.377896
  C      -0.999446      2.958661      6.492656
  C      -1.514169      4.331422      6.065724
  N      -2.622009      4.041473      5.189596
  H      -2.500182     -1.342940      6.191428
  H      -3.525446     -0.342488      7.238867
  H      -0.915846      0.512297      5.870111
  H      -1.180992      0.359708      7.633601
  H      -1.854632      4.940473      6.918025
  H      -0.725356      4.897540      5.545992
  H      -0.408740      3.018222      7.420607
  H      -0.360345      2.545888      5.700975
  H      -4.877412      3.128972      8.425565
  H      -3.905414      4.231099      7.442643
  H      -3.287252      1.368567      8.322708
  H      -2.306369      2.813408      8.639117
  C      -5.673468      4.632486     -1.057858
  C      -5.148336      3.618942     -0.089537
  O      -4.181916      3.949386      0.638616
  C      -5.755413      2.282958      0.012744
  C      -6.590653      1.756500     -0.995847
  C      -7.096671      0.468245     -0.885276
  C      -6.772631     -0.310883      0.228312
  F      -7.281091     -1.545290      0.276576
  C      -5.967859      0.182332      1.274696
  C      -5.573711     -0.628310      2.476459
  O      -5.825026     -1.828698      2.573015
  N      -4.877614      0.120968      3.424153
  C      -4.212539     -0.508667      4.360593
  C      -5.502412      1.491008      1.141331
  C      -6.961444     10.396794     -0.771760
  C      -6.591000      9.041631     -0.218125
  O      -6.830009      8.011004     -0.844072
  C      -5.915450      8.976557      1.117469
  C      -5.482737     10.120722      1.811172
  C      -4.839285     10.001074      3.039444
  C      -4.622479      8.734185      3.575788
  F      -4.026215      8.665299      4.781039
  C      -5.043460      7.564077      2.918050
  C      -4.853128      6.170482      3.412082
  O      -5.631563      5.276381      3.071293
  N      -3.733323      5.971065      4.243570
  C      -3.505817      4.717523      4.512444
  C      -5.699682      7.721619      1.692439
  C     -12.576289     -1.785960      3.016342
  C     -11.686328     -1.175817      4.076084
  O     -11.806006     -1.484240      5.258264
  C     -10.646966     -0.184449      3.649879
  C     -10.370714      0.089148      2.298879
  C      -9.382348      1.006591      1.954521
  C      -8.661401      1.636255      2.964926
  F      -7.729706      2.542462      2.596627
  C      -8.909228      1.402556      4.324304
  C      -8.193036      2.085995      5.451295
  O      -8.830238      2.434135      6.448799
  N      -6.808389      2.199559      5.272307
  C      -6.150086      2.572571      6.341695
  C      -9.925134      0.494005      4.639171
  H      -6.676229      4.972427     -0.753289
  H      -5.008693      5.501621     -1.080369
  H      -5.767227      4.209879     -2.068211
  H      -6.841399      2.345933     -1.877542
  H      -7.743244      0.042330     -1.653349
  H      -4.189488     -1.607249      4.457138
  H      -4.991404      1.907614      2.010438
  H      -7.564727     10.968930     -0.050652
  H      -6.053206     10.987884     -0.972263
  H      -7.519702     10.266979     -1.705050
  H      -5.643713     11.115831      1.394474
  H      -4.505822     10.876394      3.598291
  H      -4.333302      4.010304      4.042586
  H      -6.043848      6.830352      1.168039
  H     -13.341731     -2.401838      3.500733
  H     -11.981547     -2.418953      2.337915
  H     -13.054785     -1.010077      2.399900
  H     -10.927368     -0.411404      1.505702
  H      -9.170997      1.254862      0.913236
  H      -6.686047      2.810483      7.278004
  H     -10.155434      0.301581      5.688105
  N      -2.899069      2.142458      3.073348
  N      -2.548060      2.339729      1.733794
  H      -3.248105      3.094823      1.228644
  H      -2.694448      1.461886      1.201480
  H      -1.552034      2.599197      1.648679
91
Coordinates from ORCA-job orca E -6725.166304265554
  N      -3.541831      0.254572      5.243256
  Mo     -3.506618      2.254618      4.737683
  N      -4.825385      2.690036      6.339807
  C      -4.194830      3.212865      7.551787
  C      -2.977615      2.358675      7.891240
  N      -2.163103      2.029316      6.671265
  C      -1.688244      0.613900      6.699859
  C      -2.863909     -0.296988      6.404836
  C      -1.010030      2.962806      6.493468
  C      -1.513336      4.332675      6.045592
  N      -2.617047      4.037372      5.165619
  H      -2.527789     -1.329631      6.224446
  H      -3.560150     -0.323824      7.260842
  H      -0.935956      0.510575      5.906093
  H      -1.217261      0.379945      7.668272
  H      -1.856712      4.954310      6.887749
  H      -0.717707      4.888175      5.525045
  H      -0.421802      3.029319      7.422591
  H      -0.371601      2.535778      5.708805
  H      -4.897547      3.184561      8.399511
  H      -3.914451      4.268479      7.407631
  H      -3.321953      1.412093      8.325455
  H      -2.332189      2.852923      8.634111
  C      -5.796181      4.614053     -1.043198
  C      -5.208156      3.599895     -0.116153
  O      -4.200200      3.933847      0.553274
  C      -5.797059      2.257426      0.006151
  C      -6.625455      1.710238     -0.996230
  C      -7.129728      0.423772     -0.864349
  C      -6.818771     -0.329346      0.270110
  F      -7.333169     -1.559656      0.342761
  C      -6.019893      0.184520      1.311391
  C      -5.645309     -0.606475      2.532241
  O      -5.936413     -1.794377      2.662791
  N      -4.914074      0.139113      3.457447
  C      -4.258957     -0.496014      4.397874
  C      -5.544659      1.487940      1.151257
  C      -6.868809     10.503066     -0.755324
  C      -6.521460      9.135836     -0.216911
  O      -6.779318      8.116588     -0.853643
  C      -5.844940      9.044760      1.116630
  C      -5.399920     10.174441      1.826087
  C      -4.757632     10.030467      3.052049
  C      -4.553384      8.753970      3.570158
  F      -3.956962      8.662995      4.773886
  C      -4.985960      7.597378      2.896385
  C      -4.811473      6.195188      3.372977
  O      -5.587106      5.309807      3.003852
  N      -3.699013      5.977370      4.208333
  C      -3.492169      4.720753      4.482924
  C      -5.641005      7.779618      1.673438
  C     -12.461490     -1.929153      2.977281
  C     -11.582791     -1.311798      4.042116
  O     -11.666423     -1.664764      5.214765
  C     -10.598617     -0.258881      3.632827
  C     -10.369296      0.081024      2.288456
  C      -9.430448      1.054247      1.959029
  C      -8.710639      1.671550      2.977589
  F      -7.822655      2.627349      2.626405
  C      -8.913347      1.373092      4.330804
  C      -8.195095      2.041881      5.465562
  O      -8.822103      2.342724      6.484045
  N      -6.818942      2.197351      5.265217
  C      -6.161532      2.593028      6.326664
  C      -9.881764      0.410268      4.632099
  H      -6.788587      4.927155     -0.682171
  H      -5.149184      5.495470     -1.089861
  H      -5.937217      4.203805     -2.052970
  H      -6.870543      2.282087     -1.891256
  H      -7.768982     -0.018822     -1.628959
  H      -4.268043     -1.592804      4.513466
  H      -5.031563      1.920565      2.010053
  H      -7.464465     11.076343     -0.028925
  H      -5.950811     11.081612     -0.946984
  H      -7.427409     10.393200     -1.690872
  H      -5.551085     11.177074      1.424254
  H      -4.415330     10.894137      3.623341
  H      -4.322683      4.024703      4.013724
  H      -5.995691      6.899714      1.137366
  H     -13.185046     -2.599856      3.452956
  H     -11.849422     -2.506557      2.265674
  H     -12.991306     -1.157861      2.398293
  H     -10.924502     -0.410660      1.488880
  H      -9.255674      1.353714      0.924711
  H      -6.696966      2.833439      7.262668
  H     -10.077335      0.165645      5.677173
  N      -2.921842      2.119819      3.063338
  N      -2.589004      2.299472      1.719678
  H      -3.309030      3.043143      1.206423
  H      -2.725705      1.411070      1.203262
  H      -1.598793      2.575154      1.619808
91
Coordinates from ORCA-job orca E -6725.167953444221
  N      -3.548860      0.254795      5.275675
  Mo     -3.528639      2.242637      4.738692
  N      -4.827443      2.706294      6.351715
  C      -4.183260      3.242839      7.548772
  C      -2.962454      2.391860      7.887596
  N      -2.156166      2.044888      6.669213
  C      -1.682907      0.631174      6.714862
  C      -2.859897     -0.286577      6.436906
  C      -1.004091      2.972159      6.466122
  C      -1.508711      4.335318      5.999675
  N      -2.621508      4.026282      5.135372
  H      -2.518492     -1.317641      6.257873
  H      -3.549486     -0.312707      7.297937
  H      -0.935037      0.515214      5.918745
  H      -1.206186      0.408287      7.682958
  H      -1.843819      4.970985      6.834693
  H      -0.717762      4.881730      5.463170
  H      -0.404474      3.050573      7.386847
  H      -0.377123      2.531181      5.680027
  H      -4.876880      3.226146      8.404274
  H      -3.905205      4.296369      7.386973
  H      -3.305957      1.451023      8.334226
  H      -2.312952      2.894206      8.621260
  C      -5.907674      4.610568     -0.968841
  C      -5.274314      3.595134     -0.078884
  O      -4.243698      3.928488      0.557896
  C      -5.859635      2.250668      0.056869
  C      -6.680325      1.691553     -0.942681
  C      -7.188665      0.409609     -0.793749
  C      -6.897650     -0.321851      0.359124
  F      -7.421619     -1.546689      0.450881
  C      -6.102676      0.202510      1.396584
  C      -5.747105     -0.576954      2.631760
  O      -6.095241     -1.742940      2.800726
  N      -4.960566      0.149564      3.527143
  C      -4.306028     -0.492827      4.464716
  C      -5.612987      1.499016      1.215680
  C      -6.804288     10.520731     -0.780545
  C      -6.488078      9.152544     -0.228242
  O      -6.775780      8.133487     -0.850620
  C      -5.804067      9.060775      1.100964
  C      -5.328885     10.186566      1.795830
  C      -4.680106     10.039421      3.017110
  C      -4.498230      8.764132      3.545164
  F      -3.892725      8.672650      4.744218
  C      -4.961720      7.611538      2.886976
  C      -4.813603      6.210520      3.375471
  O      -5.597690      5.333704      3.003574
  N      -3.691302      5.975896      4.188425
  C      -3.500776      4.716149      4.464162
  C      -5.622895      7.797448      1.668277
  C     -12.305969     -2.003518      2.803669
  C     -11.453493     -1.413930      3.903638
  O     -11.513367     -1.844161      5.050378
  C     -10.521533     -0.293175      3.559506
  C     -10.328886      0.151123      2.241551
  C      -9.436542      1.183422      1.970414
  C      -8.723203      1.752836      3.019980
  F      -7.870059      2.761282      2.725662
  C      -8.893073      1.351196      4.349829
  C      -8.179344      1.967178      5.516513
  O      -8.797841      2.191075      6.558095
  N      -6.816042      2.176590      5.303265
  C      -6.158618      2.592511      6.357482
  C      -9.817120      0.332125      4.594652
  H      -6.893546      4.889232     -0.564507
  H      -5.280919      5.505665     -1.026214
  H      -6.082642      4.215784     -1.979320
  H      -6.911582      2.248577     -1.850243
  H      -7.818163     -0.045143     -1.558172
  H      -4.346622     -1.586067      4.601339
  H      -5.092509      1.941322      2.061022
  H      -7.384368     11.115131     -0.059705
  H      -5.874235     11.074948     -0.980808
  H      -7.368132     10.413623     -1.712560
  H      -5.461194     11.187951      1.386644
  H      -4.314753     10.899910      3.577175
  H      -4.338269      4.029332      4.010950
  H      -6.001440      6.921137      1.143944
  H     -12.990440     -2.740229      3.236132
  H     -11.670131     -2.499108      2.053598
  H     -12.878884     -1.224577      2.279936
  H     -10.876868     -0.304732      1.417354
  H      -9.289745      1.562155      0.959997
  H      -6.687953      2.833667      7.296376
  H      -9.986148      0.005131      5.621160
  N      -2.978541      2.085964      3.044389
  N      -2.691354      2.237969      1.691520
  H      -3.437035      2.973786      1.186562
  H      -2.828594      1.338392      1.201182
  H      -1.710803      2.525591      1.553148
91
Coordinates from ORCA-job orca E -6725.169657368829
  N      -3.533461      0.265488      5.283639
  Mo     -3.527988      2.247220      4.726798
  N      -4.833909      2.726579      6.329780
  C      -4.195979      3.272394      7.525395
  C      -2.977968      2.424491      7.881844
  N      -2.158155      2.067312      6.677397
  C      -1.683131      0.656873      6.740387
  C      -2.851818     -0.268608      6.453417
  C      -1.005751      2.992326      6.475304
  C      -1.506811      4.349493      5.989543
  N      -2.612079      4.030084      5.118811
  H      -2.498699     -1.296204      6.277150
  H      -3.550041     -0.300519      7.306990
  H      -0.924615      0.535474      5.955214
  H      -1.217644      0.441091      7.715609
  H      -1.849994      4.994020      6.814565
  H      -0.711997      4.891104      5.454128
  H      -0.412517      3.078872      7.399382
  H      -0.374262      2.543207      5.697475
  H      -4.894949      3.263378      8.376667
  H      -3.917411      4.324471      7.355027
  H      -3.326961      1.486870      8.330949
  H      -2.338286      2.933110      8.619916
  C      -6.068324      4.582556     -0.891720
  C      -5.372452      3.560400     -0.062017
  O      -4.311336      3.886054      0.526348
  C      -5.944254      2.209618      0.085028
  C      -6.775541      1.638787     -0.897151
  C      -7.270035      0.353671     -0.729488
  C      -6.963746     -0.361378      0.429309
  F      -7.483709     -1.586255      0.544422
  C      -6.156292      0.176572      1.449549
  C      -5.786796     -0.585229      2.691143
  O      -6.179571     -1.726975      2.913887
  N      -4.962936      0.145625      3.551254
  C      -4.311274     -0.487014      4.496484
  C      -5.669237      1.470737      1.244947
  C      -6.727751     10.584203     -0.781140
  C      -6.425135      9.212053     -0.231595
  O      -6.728346      8.197315     -0.853424
  C      -5.737349      9.110556      1.094764
  C      -5.247144     10.228712      1.791546
  C      -4.595292     10.069737      3.009613
  C      -4.424604      8.790618      3.532210
  F      -3.814045      8.688887      4.728099
  C      -4.903198      7.645768      2.872035
  C      -4.767587      6.240120      3.351326
  O      -5.564267      5.374510      2.981212
  N      -3.653813      5.993242      4.170677
  C      -3.483061      4.730626      4.445738
  C      -5.567660      7.843920      1.657248
  C     -12.209301     -2.079761      2.693127
  C     -11.367741     -1.505193      3.809051
  O     -11.400514     -1.983911      4.937222
  C     -10.479584     -0.338945      3.502977
  C     -10.328558      0.173692      2.205012
  C      -9.474856      1.245871      1.966428
  C      -8.755754      1.784436      3.027786
  F      -7.928249      2.823482      2.765075
  C      -8.888057      1.316931      4.339640
  C      -8.168320      1.904789      5.517312
  O      -8.768168      2.059329      6.581618
  N      -6.815649      2.157243      5.288715
  C      -6.162905      2.593612      6.338347
  C      -9.774642      0.259230      4.553738
  H      -7.037137      4.819958     -0.423749
  H      -5.466780      5.493712     -0.964108
  H      -6.296230      4.206881     -1.898939
  H      -7.019612      2.185961     -1.807523
  H      -7.903160     -0.114667     -1.482370
  H      -4.371759     -1.575536      4.659425
  H      -5.125918      1.924231      2.068814
  H      -7.302013     11.182786     -0.059317
  H      -5.792850     11.129895     -0.980977
  H      -7.293493     10.484168     -1.712642
  H      -5.370296     11.232967      1.387016
  H      -4.218630     10.923941      3.571416
  H      -4.318633      4.053793      3.989311
  H      -5.958883      6.973860      1.131812
  H     -12.858595     -2.861333      3.099936
  H     -11.563461     -2.515408      1.915253
  H     -12.819559     -1.302626      2.210803
  H     -10.879138     -0.260366      1.371123
  H      -9.358151      1.675593      0.973172
  H      -6.693104      2.834742      7.276384
  H      -9.913746     -0.121128      5.566212
  N      -2.978757      2.083473      3.033598
  N      -2.710118      2.214850      1.677691
  H      -3.460086      2.952055      1.168559
  H      -2.838678      1.306510      1.203243
  H      -1.735333      2.513324      1.521223
91
Coordinates from ORCA-job orca E -6725.171339669742
  N      -3.480357      0.269848      5.280266
  Mo     -3.513500      2.249498      4.717829
  N      -4.820793      2.716547      6.319279
  C      -4.188582      3.269752      7.515959
  C      -2.965126      2.433371      7.879356
  N      -2.134183      2.084182      6.681509
  C      -1.641191      0.681348      6.745333
  C      -2.792300     -0.259393      6.448718
  C      -0.991856      3.021274      6.482991
  C      -1.505721      4.370062      5.991523
  N      -2.603185      4.036758      5.116011
  H      -2.420995     -1.279619      6.266784
  H      -3.492845     -0.308383      7.299656
  H      -0.875313      0.570223      5.965654
  H      -1.179266      0.468458      7.723209
  H      -1.860314      5.013728      6.812529
  H      -0.714244      4.918848      5.458128
  H      -0.402872      3.116236      7.409186
  H      -0.352406      2.577435      5.708470
  H      -4.888850      3.255972      8.366059
  H      -3.918598      4.323923      7.343720
  H      -3.309192      1.492368      8.326528
  H      -2.337061      2.949221      8.622891
  C      -6.166329      4.570422     -0.780076
  C      -5.449571      3.545961      0.025291
  O      -4.379955      3.864135      0.597473
  C      -6.010749      2.187681      0.161969
  C      -6.821795      1.604381     -0.830445
  C      -7.298718      0.310693     -0.664804
  C      -6.996644     -0.395668      0.500797
  F      -7.498097     -1.629370      0.613549
  C      -6.206858      0.156879      1.528184
  C      -5.833157     -0.587538      2.777318
  O      -6.233352     -1.721150      3.030081
  N      -4.957242      0.140269      3.589137
  C      -4.281805     -0.486972      4.518558
  C      -5.736290      1.456086      1.325174
  C      -6.714866     10.547121     -0.822132
  C      -6.426874      9.184523     -0.239467
  O      -6.759440      8.157476     -0.827526
  C      -5.716464      9.106264      1.077194
  C      -5.192399     10.232218      1.737303
  C      -4.521312     10.090267      2.948294
  C      -4.364673      8.820516      3.499775
  F      -3.733186      8.736966      4.686704
  C      -4.877184      7.669011      2.875638
  C      -4.761184      6.269362      3.378749
  O      -5.580332      5.415577      3.032741
  N      -3.640253      6.012594      4.187165
  C      -3.475164      4.747090      4.450346
  C      -5.560272      7.851116      1.668460
  C     -12.193963     -2.057667      2.537756
  C     -11.335802     -1.540340      3.670213
  O     -11.337017     -2.089914      4.767598
  C     -10.472849     -0.340994      3.420281
  C     -10.366889      0.263224      2.156273
  C      -9.534814      1.363270      1.968300
  C      -8.791188      1.836610      3.043999
  F      -7.979236      2.896584      2.829160
  C      -8.881469      1.280476      4.324978
  C      -8.141166      1.805569      5.521176
  O      -8.718908      1.874556      6.608528
  N      -6.797410      2.103335      5.282024
  C      -6.149155      2.552743      6.330366
  C      -9.746559      0.195854      4.490661
  H      -7.134994      4.777382     -0.295185
  H      -5.584692      5.494843     -0.850966
  H      -6.399662      4.196457     -1.785758
  H      -7.059319      2.146441     -1.746243
  H      -7.913430     -0.171163     -1.425639
  H      -4.349450     -1.572721      4.698072
  H      -5.204561      1.922582      2.152487
  H      -7.269436     11.174759     -0.108306
  H      -5.774066     11.072726     -1.050512
  H      -7.296532     10.431275     -1.742737
  H      -5.304349     11.229385      1.309992
  H      -4.118388     10.951288      3.482576
  H      -4.305460      4.075881      3.989776
  H      -5.979190      6.975971      1.172068
  H     -12.818419     -2.877958      2.907312
  H     -11.559133     -2.427509      1.716804
  H     -12.831828     -1.262837      2.122969
  H     -10.936024     -0.121458      1.309517
  H      -9.450218      1.861714      1.002179
  H      -6.681305      2.784717      7.269371
  H      -9.853398     -0.254177      5.478842
  N      -2.965327      2.100895      3.032910
  N      -2.719006      2.221681      1.669555
  H      -3.484996      2.949754      1.159522
  H      -2.829931      1.302224      1.206982
  H      -1.753141      2.545384      1.493163
91
Coordinates from ORCA-job orca E -6725.173189782745
  N      -3.420140      0.261831      5.312918
  Mo     -3.500516      2.232488      4.728167
  N      -4.797732      2.700978      6.335226
  C      -4.162461      3.270051      7.523073
  C      -2.928691      2.448727      7.889414
  N      -2.095483      2.101067      6.694010
  C      -1.581418      0.707217      6.766683
  C      -2.717319     -0.253069      6.478354
  C      -0.967524      3.051191      6.479865
  C      -1.499604      4.386823      5.973309
  N      -2.596707      4.031381      5.104615
  H      -2.330163     -1.267301      6.296017
  H      -3.412353     -0.311721      7.333282
  H      -0.814757      0.601941      5.987073
  H      -1.114257      0.507775      7.744946
  H      -1.859438      5.036891      6.786889
  H      -0.716256      4.938126      5.430578
  H      -0.375662      3.164698      7.402241
  H      -0.325444      2.606282      5.708098
  H      -4.857820      3.258752      8.377218
  H      -3.902165      4.324391      7.338601
  H      -3.262053      1.507085      8.343522
  H      -2.306194      2.976869      8.629149
  C      -6.316379      4.525024     -0.693331
  C      -5.558967      3.505629      0.081060
  O      -4.468379      3.825038      0.611532
  C      -6.112205      2.146565      0.247987
  C      -6.929830      1.540051     -0.724435
  C      -7.391317      0.245063     -0.529688
  C      -7.068399     -0.437009      0.644146
  F      -7.553682     -1.675087      0.783749
  C      -6.269301      0.137975      1.650949
  C      -5.870447     -0.585402      2.904553
  O      -6.300518     -1.694765      3.206554
  N      -4.940697      0.129765      3.665565
  C      -4.251166     -0.496132      4.585723
  C      -5.814637      1.437921      1.419796
  C      -6.706621     10.520740     -0.852180
  C      -6.430754      9.162003     -0.255705
  O      -6.778429      8.132245     -0.830140
  C      -5.711620      9.090667      1.056147
  C      -5.168449     10.217427      1.698801
  C      -4.487462     10.080369      2.904606
  C      -4.339884      8.814862      3.468323
  F      -3.696086      8.736199      4.648779
  C      -4.872585      7.663165      2.862682
  C      -4.765116      6.266290      3.376338
  O      -5.602062      5.420480      3.052417
  N      -3.640871      6.008253      4.180666
  C      -3.475986      4.742121      4.445938
  C      -5.565619      7.840695      1.660663
  C     -12.107767     -1.971831      2.278482
  C     -11.251246     -1.528367      3.442966
  O     -11.235879     -2.160879      4.494252
  C     -10.412266     -0.297205      3.283334
  C     -10.334986      0.413231      2.073879
  C      -9.524140      1.539603      1.967949
  C      -8.771686      1.933988      3.068886
  F      -7.975227      3.019104      2.928822
  C      -8.837498      1.271817      4.301064
  C      -8.095632      1.711903      5.530400
  O      -8.657998      1.662548      6.627094
  N      -6.761758      2.055752      5.303801
  C      -6.121424      2.510203      6.355221
  C      -9.681033      0.161696      4.385859
  H      -7.267375      4.715452     -0.168086
  H      -5.752664      5.457828     -0.787945
  H      -6.589024      4.147261     -1.688694
  H      -7.181640      2.063519     -1.646711
  H      -8.008691     -0.257177     -1.274811
  H      -4.331385     -1.577478      4.785045
  H      -5.272804      1.924761      2.228531
  H      -7.252700     11.161268     -0.143436
  H      -5.761967     11.035133     -1.089109
  H      -7.292565     10.400638     -1.769424
  H      -5.272013     11.210874      1.261193
  H      -4.068681     10.941995      3.425247
  H      -4.306218      4.071143      3.994838
  H      -5.999701      6.965632      1.178279
  H     -12.710962     -2.832657      2.585559
  H     -11.473080     -2.259936      1.425485
  H     -12.766699     -1.160840      1.934357
  H     -10.910424      0.091009      1.205773
  H      -9.460882      2.117145      1.045416
  H      -6.654543      2.737452      7.294601
  H      -9.767948     -0.370726      5.334048
  N      -2.985550      2.085531      3.034238
  N      -2.791346      2.197409      1.662074
  H      -3.588191      2.916226      1.183747
  H      -2.897602      1.271511      1.213650
  H      -1.840781      2.541245      1.446483
91
Coordinates from ORCA-job orca E -6725.175070865620
  N      -3.320462      0.247761      5.339092
  Mo     -3.475537      2.208253      4.739631
  N      -4.773848      2.652815      6.348387
  C      -4.147461      3.240283      7.532197
  C      -2.892786      2.450475      7.902364
  N      -2.047754      2.122769      6.710800
  C      -1.493271      0.745222      6.786908
  C      -2.599694     -0.248225      6.500491
  C      -0.947528      3.102560      6.489321
  C      -1.514124      4.418634      5.970495
  N      -2.601671      4.028833      5.103352
  H      -2.184159     -1.250760      6.315546
  H      -3.289889     -0.327933      7.357895
  H      -0.722633      0.661040      6.008823
  H      -1.021049      0.561109      7.765812
  H      -1.891327      5.067415      6.777080
  H      -0.744511      4.984580      5.423035
  H      -0.359234      3.240412      7.410830
  H      -0.292228      2.669562      5.721928
  H      -4.840995      3.218383      8.387715
  H      -3.910287      4.298397      7.341031
  H      -3.203209      1.502088      8.358751
  H      -2.287155      2.996803      8.643057
  C      -6.430093      4.502254     -0.594489
  C      -5.640937      3.486679      0.157000
  O      -4.531315      3.804197      0.647272
  C      -6.186224      2.127903      0.351214
  C      -7.024923      1.507354     -0.593909
  C      -7.473765      0.212401     -0.373127
  C      -7.115920     -0.454922      0.798208
  F      -7.587910     -1.695960      0.962769
  C      -6.291393      0.132429      1.775874
  C      -5.855683     -0.578772      3.022889
  O      -6.313678     -1.662105      3.371347
  N      -4.876031      0.116464      3.735325
  C      -4.170709     -0.513453      4.641427
  C      -5.851611      1.432559      1.520388
  C      -6.711186     10.448007     -0.914149
  C      -6.453234      9.097787     -0.292229
  O      -6.822467      8.062742     -0.842791
  C      -5.726484      9.042074      1.015715
  C      -5.160082     10.173312      1.628760
  C      -4.471404     10.051268      2.831237
  C      -4.338963      8.796336      3.421360
  F      -3.685254      8.732875      4.596768
  C      -4.895491      7.640512      2.846800
  C      -4.802512      6.252601      3.389036
  O      -5.652926      5.411282      3.087660
  N      -3.671595      5.997101      4.185247
  C      -3.493206      4.731548      4.449753
  C      -5.596185      7.803295      1.647146
  C     -12.093106     -1.812801      2.009307
  C     -11.219131     -1.479403      3.196981
  O     -11.178484     -2.213128      4.178744
  C     -10.391482     -0.231786      3.145247
  C     -10.350674      0.602311      2.015856
  C      -9.545631      1.737251      2.005586
  C      -8.764217      2.019591      3.120539
  F      -7.966520      3.112054      3.066768
  C      -8.798374      1.233948      4.280435
  C      -8.033029      1.550847      5.532884
  O      -8.566234      1.372630      6.630924
  N      -6.718788      1.960082      5.318071
  C      -6.090609      2.421174      6.372347
  C      -9.633886      0.114924      4.270210
  H      -7.362138      4.690144     -0.035736
  H      -5.878193      5.438642     -0.714833
  H      -6.739503      4.116509     -1.578032
  H      -7.303971      2.020005     -1.513885
  H      -8.107558     -0.301299     -1.095870
  H      -4.255803     -1.592177      4.851725
  H      -5.287368      1.931122      2.305932
  H      -7.244152     11.109798     -0.215337
  H      -5.760492     10.943721     -1.165014
  H      -7.303119     10.319034     -1.826153
  H      -5.250690     11.158063      1.169811
  H      -4.033895     10.916805      3.328946
  H      -4.314030      4.051685      4.004596
  H      -6.048343      6.925496      1.188493
  H     -12.680439     -2.708159      2.237779
  H     -11.472672     -2.003469      1.119540
  H     -12.767740     -0.979575      1.763402
  H     -10.948369      0.368657      1.134756
  H      -9.506424      2.404405      1.144775
  H      -6.628590      2.631783      7.312957
  H      -9.693432     -0.513871      5.159237
  N      -2.976597      2.075418      3.034614
  N      -2.829294      2.180271      1.654515
  H      -3.652882      2.881185      1.202989
  H      -2.920681      1.248224      1.218748
  H      -1.897067      2.550048      1.408211
91
Coordinates from ORCA-job orca E -6725.176933154131
  N      -3.209750      0.234435      5.344398
  Mo     -3.440713      2.185448      4.737771
  N      -4.759414      2.590587      6.334138
  C      -4.156955      3.190066      7.524798
  C      -2.883700      2.435007      7.908852
  N      -2.012832      2.139826      6.728252
  C      -1.411396      0.781763      6.804627
  C      -2.479641     -0.246653      6.504296
  C      -0.944152      3.155743      6.518563
  C      -1.544590      4.451989      5.989785
  N      -2.609221      4.029791      5.108528
  H      -2.032131     -1.234739      6.315612
  H      -3.170964     -0.354082      7.358052
  H      -0.629753      0.728968      6.034989
  H      -0.943009      0.609857      7.787687
  H      -1.951427      5.091667      6.789111
  H      -0.784771      5.039186      5.450809
  H      -0.372335      3.315213      7.447172
  H      -0.263770      2.744152      5.761277
  H      -4.858696      3.150404      8.373055
  H      -3.942878      4.253180      7.336240
  H      -3.171507      1.476494      8.358784
  H      -2.305934      2.996777      8.660347
  C      -6.496708      4.514696     -0.505546
  C      -5.689984      3.495332      0.226352
  O      -4.560773      3.803713      0.675199
  C      -6.239967      2.144003      0.451445
  C      -7.112665      1.520266     -0.460960
  C      -7.557484      0.228050     -0.218173
  C      -7.158922     -0.435310      0.941776
  F      -7.622093     -1.677632      1.125368
  C      -6.299796      0.155009      1.886933
  C      -5.822747     -0.552079      3.118698
  O      -6.291937     -1.619873      3.498825
  N      -4.794878      0.117142      3.783034
  C      -4.073899     -0.525920      4.668028
  C      -5.868582      1.453649      1.611610
  C      -6.686441     10.378611     -0.988458
  C      -6.448863      9.036627     -0.341580
  O      -6.831839      7.997166     -0.874098
  C      -5.724042      8.994650      0.967465
  C      -5.141302     10.129688      1.557090
  C      -4.453417     10.022009      2.760953
  C      -4.337580      8.777474      3.375804
  F      -3.683020      8.728851      4.550912
  C      -4.911056      7.617828      2.825704
  C      -4.833334      6.238810      3.395024
  O      -5.694108      5.401241      3.113282
  N      -3.702088      5.987471      4.190633
  C      -3.507066      4.723500      4.451382
  C      -5.611188      7.766689      1.623999
  C     -12.109885     -1.709374      1.827187
  C     -11.206906     -1.461247      3.014120
  O     -11.122505     -2.275742      3.926371
  C     -10.402747     -0.197782      3.046352
  C     -10.418328      0.736396      1.997518
  C      -9.627765      1.879759      2.059032
  C      -8.807014      2.073858      3.164945
  F      -8.022441      3.176292      3.177260
  C      -8.788406      1.187184      4.251176
  C      -7.985288      1.401645      5.501038
  O      -8.463322      1.078545      6.591724
  N      -6.693138      1.868735      5.292696
  C      -6.071671      2.323265      6.350490
  C      -9.606947      0.058602      4.168864
  H      -7.406539      4.721846      0.081850
  H      -5.942149      5.445241     -0.654559
  H      -6.843682      4.121030     -1.474331
  H      -7.422361      2.028473     -1.373392
  H      -8.217290     -0.287593     -0.915544
  H      -4.164560     -1.603558      4.879935
  H      -5.275180      1.954385      2.373576
  H      -7.212511     11.059213     -0.302688
  H      -5.728507     10.857346     -1.244365
  H      -7.276819     10.241825     -1.900240
  H      -5.218015     11.105773      1.077899
  H      -4.002883     10.890947      3.240651
  H      -4.312369      4.033618      3.999477
  H      -6.075963      6.886323      1.184197
  H     -12.669952     -2.635713      1.991309
  H     -11.513650     -1.804286      0.906218
  H     -12.810072     -0.874352      1.677300
  H     -11.047031      0.573573      1.122089
  H      -9.628858      2.619233      1.258687
  H      -6.615315      2.510740      7.293178
  H      -9.620504     -0.650006      4.997461
  N      -2.938648      2.080178      3.027901
  N      -2.825523      2.188958      1.641709
  H      -3.670259      2.865444      1.212055
  H      -2.894677      1.254047      1.209422
  H      -1.910598      2.588839      1.380695
91
Coordinates from ORCA-job orca E -6725.179013320672
  N      -3.051462      0.219035      5.340409
  Mo     -3.376924      2.155029      4.723573
  N      -4.743094      2.496923      6.284816
  C      -4.189063      3.110879      7.492458
  C      -2.894625      2.408530      7.908649
  N      -1.978466      2.163291      6.751998
  C      -1.311424      0.835308      6.835235
  C      -2.320671     -0.240677      6.506152
  C      -0.955715      3.230069      6.572566
  C      -1.599331      4.498563      6.029096
  N      -2.619975      4.033939      5.116963
  H      -1.826925     -1.206830      6.318331
  H      -3.020651     -0.387183      7.347244
  H      -0.509979      0.829191      6.084643
  H      -0.858112      0.680373      7.828248
  H      -2.055538      5.118651      6.817063
  H      -0.850511      5.119339      5.512482
  H      -0.417838      3.415758      7.516766
  H      -0.233983      2.854494      5.835076
  H      -4.910561      3.041723      8.322047
  H      -4.008789      4.181566      7.312393
  H      -3.151334      1.435793      8.346478
  H      -2.365098      2.990841      8.679954
  C      -6.490689      4.512771     -0.461383
  C      -5.675072      3.496195      0.267764
  O      -4.529867      3.801267      0.674603
  C      -6.226474      2.154904      0.530404
  C      -7.130032      1.523500     -0.347307
  C      -7.567071      0.233157     -0.083017
  C      -7.126099     -0.425565      1.064164
  F      -7.573097     -1.671200      1.263840
  C      -6.237479      0.173612      1.976704
  C      -5.714375     -0.529690      3.187902
  O      -6.179354     -1.592730      3.588824
  N      -4.649802      0.117834      3.812476
  C      -3.915266     -0.543856      4.674483
  C      -5.819913      1.472234      1.681982
  C      -6.684947     10.321261     -1.047674
  C      -6.454571      8.981919     -0.392340
  O      -6.833871      7.940464     -0.923796
  C      -5.742634      8.944907      0.923432
  C      -5.163215     10.083281      1.509643
  C      -4.485615      9.983368      2.719654
  C      -4.376233      8.743069      3.343866
  F      -3.731629      8.703436      4.524318
  C      -4.946721      7.579231      2.797514
  C      -4.872361      6.203896      3.379239
  O      -5.730506      5.362029      3.103915
  N      -3.748155      5.965581      4.184370
  C      -3.522588      4.707160      4.443098
  C      -5.637417      7.720832      1.589740
  C     -12.284322     -1.535669      1.738180
  C     -11.322463     -1.390697      2.896067
  O     -11.209805     -2.272948      3.739319
  C     -10.498169     -0.142881      2.986289
  C     -10.551985      0.872892      2.017159
  C      -9.738868      1.996952      2.126836
  C      -8.862312      2.093274      3.203099
  F      -8.058827      3.178345      3.263328
  C      -8.804124      1.122557      4.213846
  C      -7.937913      1.223477      5.433864
  O      -8.355038      0.794592      6.513579
  N      -6.669966      1.741639      5.224413
  C      -6.051415      2.187791      6.281952
  C      -9.641755      0.012465      4.082362
  H      -7.381848      4.755388      0.140110
  H      -5.926703      5.431684     -0.644682
  H      -6.863814      4.102761     -1.412887
  H      -7.470846      2.024730     -1.252699
  H      -8.249653     -0.286508     -0.754859
  H      -4.007070     -1.622479      4.877361
  H      -5.200690      1.975793      2.420812
  H      -7.218025     11.004277     -0.369651
  H      -5.724032     10.798866     -1.294672
  H      -7.264936     10.181430     -1.965588
  H      -5.234535     11.055669      1.022350
  H      -4.037770     10.855101      3.196977
  H      -4.296950      3.998067      3.971282
  H      -6.100083      6.837652      1.153791
  H     -12.848951     -2.466305      1.855817
  H     -11.734033     -1.563498      0.784750
  H     -12.978891     -0.683957      1.688454
  H     -11.228006      0.789810      1.165967
  H      -9.767726      2.796158      1.386348
  H      -6.602350      2.346075      7.226511
  H      -9.620463     -0.760642      4.850837
  N      -2.845030      2.092181      3.017470
  N      -2.751618      2.215069      1.626548
  H      -3.611629      2.855909      1.208214
  H      -2.783515      1.280612      1.188500
  H      -1.854346      2.655301      1.370686
91
Coordinates from ORCA-job orca E -6725.181038710696
  N      -2.914254      0.203473      5.336749
  Mo     -3.321651      2.121910      4.703642
  N      -4.728837      2.412687      6.224834
  C      -4.217419      3.036263      7.447989
  C      -2.908772      2.380651      7.896508
  N      -1.952300      2.179917      6.765441
  C      -1.227843      0.881806      6.860072
  C      -2.181486     -0.236194      6.507802
  C      -0.971590      3.288085      6.612893
  C      -1.648507      4.530981      6.052698
  N      -2.627270      4.030675      5.113670
  H      -1.646427     -1.180687      6.322156
  H      -2.887318     -0.418020      7.337124
  H      -0.411001      0.917422      6.127237
  H      -0.789213      0.743357      7.862176
  H      -2.146627      5.133480      6.828840
  H      -0.909069      5.179398      5.556743
  H      -0.466335      3.495669      7.570672
  H      -0.215261      2.943709      5.895267
  H      -4.956723      2.942282      8.258993
  H      -4.065818      4.112866      7.274981
  H      -3.138169      1.396294      8.323270
  H      -2.426205      2.979691      8.685801
  C      -6.483425      4.502127     -0.432241
  C      -5.670720      3.493984      0.307021
  O      -4.507266      3.789188      0.660764
  C      -6.235878      2.172900      0.623570
  C      -7.186708      1.541709     -0.203487
  C      -7.633619      0.262864      0.096940
  C      -7.151140     -0.389110      1.231677
  F      -7.602233     -1.626496      1.463275
  C      -6.215445      0.212916      2.096212
  C      -5.647464     -0.485611      3.284862
  O      -6.107556     -1.542320      3.711381
  N      -4.537059      0.134810      3.858760
  C      -3.788817     -0.555509      4.689962
  C      -5.792451      1.501227      1.766323
  C      -6.686978     10.291680     -1.084029
  C      -6.462610      8.952351     -0.425100
  O      -6.848948      7.911590     -0.953504
  C      -5.750937      8.913596      0.890582
  C      -5.164370     10.050441      1.473185
  C      -4.488587      9.950521      2.684392
  C      -4.387431      8.711554      3.312744
  F      -3.745188      8.674866      4.494667
  C      -4.964120      7.548199      2.768831
  C      -4.899209      6.174449      3.358091
  O      -5.755134      5.331595      3.082661
  N      -3.778921      5.939334      4.162573
  C      -3.530528      4.687169      4.422801
  C      -5.653235      7.690782      1.560740
  C     -12.377588     -1.429407      1.638351
  C     -11.380029     -1.355331      2.773212
  O     -11.241356     -2.288870      3.555579
  C     -10.554417     -0.112744      2.915842
  C     -10.640309      0.961924      2.014239
  C      -9.826606      2.080645      2.169189
  C      -8.919882      2.113898      3.224537
  F      -8.122379      3.197423      3.332981
  C      -8.826095      1.080618      4.168971
  C      -7.917783      1.103738      5.360649
  O      -8.278108      0.576274      6.417518
  N      -6.665219      1.651699      5.152881
  C      -6.037849      2.079126      6.207279
  C      -9.663516     -0.024056      3.991959
  H      -7.352379      4.797251      0.177542
  H      -5.898911      5.397366     -0.664818
  H      -6.883563      4.066174     -1.357309
  H      -7.558966      2.034707     -1.101666
  H      -8.352858     -0.254469     -0.537518
  H      -3.894243     -1.633459      4.884243
  H      -5.130533      2.002745      2.468387
  H      -7.217166     10.978497     -0.407305
  H      -5.723531     10.764238     -1.331676
  H      -7.266985     10.152707     -2.002090
  H      -5.229854     11.021661      0.982573
  H      -4.036283     10.821249      3.159795
  H      -4.277430      3.964069      3.934571
  H      -6.122548      6.808752      1.129305
  H     -12.935759     -2.368508      1.711734
  H     -11.857871     -1.391473      0.668138
  H     -13.075620     -0.579354      1.666915
  H     -11.343452      0.930923      1.181511
  H      -9.880959      2.924994      1.481387
  H      -6.588035      2.212837      7.156756
  H      -9.611451     -0.844385      4.708402
  N      -2.759361      2.094643      3.007512
  N      -2.685535      2.224679      1.612724
  H      -3.547710      2.836090      1.193219
  H      -2.688166      1.290532      1.170410
  H      -1.801217      2.694483      1.361968
91
Coordinates from ORCA-job orca E -6725.182789946529
  N      -2.795805      0.193293      5.342133
  Mo     -3.270585      2.093762      4.692878
  N      -4.707246      2.346444      6.184511
  C      -4.227441      2.979197      7.417693
  C      -2.909634      2.362491      7.889303
  N      -1.924102      2.199544      6.780409
  C      -1.152839      0.930314      6.887551
  C      -2.057721     -0.224339      6.519359
  C      -0.981442      3.341024      6.647294
  C      -1.686513      4.560763      6.070925
  N      -2.629764      4.029082      5.112149
  H      -1.483796     -1.145963      6.335176
  H      -2.765853     -0.438160      7.338623
  H      -0.326126      0.998414      6.168206
  H      -0.725220      0.807986      7.896453
  H      -2.217110      5.148527      6.836971
  H      -0.957465      5.231912      5.590289
  H      -0.502996      3.565507      7.614955
  H      -0.200374      3.020722      5.945472
  H      -4.976847      2.864189      8.216201
  H      -4.104003      4.060586      7.248538
  H      -3.114841      1.367963      8.304899
  H      -2.466691      2.973520      8.692712
  C      -6.477857      4.396881     -0.472739
  C      -5.653344      3.420695      0.286279
  O      -4.494264      3.737414      0.631815
  C      -6.207126      2.102655      0.638049
  C      -7.157073      1.444361     -0.166617
  C      -7.588930      0.168458      0.165973
  C      -7.092517     -0.452410      1.312602
  F      -7.528431     -1.687562      1.574672
  C      -6.157849      0.180946      2.157391
  C      -5.577644     -0.488680      3.355039
  O      -6.019450     -1.544344      3.802032
  N      -4.445653      0.132227      3.901410
  C      -3.687712     -0.566918      4.723729
  C      -5.747440      1.463282      1.792030
  C      -6.754968     10.262212     -1.081962
  C      -6.510671      8.922778     -0.429373
  O      -6.880454      7.879148     -0.964385
  C      -5.799387      8.886245      0.886469
  C      -5.229678     10.026536      1.479718
  C      -4.555290      9.925627      2.692154
  C      -4.438055      8.682696      3.310400
  F      -3.798324      8.647462      4.494564
  C      -4.996204      7.515958      2.753927
  C      -4.914275      6.137118      3.329844
  O      -5.760087      5.286148      3.049259
  N      -3.802318      5.916754      4.143869
  C      -3.534572      4.670292      4.407714
  C      -5.684925      7.660286      1.546427
  C     -12.490796     -1.191531      1.545646
  C     -11.468115     -1.213494      2.660319
  O     -11.327752     -2.203611      3.369971
  C     -10.617524      0.002569      2.870580
  C     -10.707489      1.139687      2.049584
  C      -9.871393      2.232563      2.261232
  C      -8.938898      2.175829      3.292055
  F      -8.119661      3.234834      3.458881
  C      -8.838454      1.077704      4.157528
  C      -7.895471      1.011973      5.319537
  O      -8.214849      0.401450      6.343922
  N      -6.650796      1.581893      5.110528
  C      -6.014836      1.995858      6.164253
  C      -9.697626      0.000138      3.926202
  H      -7.350874      4.691200      0.131560
  H      -5.902364      5.292041     -0.728029
  H      -6.870035      3.935209     -1.385890
  H      -7.539177      1.913320     -1.073743
  H      -8.306888     -0.370600     -0.451679
  H      -3.802570     -1.642429      4.920585
  H      -5.080603      1.987860      2.471192
  H      -7.298595     10.937047     -0.403849
  H      -5.798935     10.751973     -1.324829
  H      -7.330335     10.117972     -2.002105
  H      -5.308180     11.001151      0.997644
  H      -4.116882     10.798471      3.176594
  H      -4.255784      3.936729      3.908324
  H      -6.142027      6.775550      1.107120
  H     -13.058937     -2.127296      1.561601
  H     -11.992657     -1.085881      0.569193
  H     -13.177873     -0.338881      1.653404
  H     -11.431618      1.177985      1.235586
  H      -9.926271      3.124709      1.636465
  H      -6.557164      2.111263      7.120336
  H      -9.638845     -0.869877      4.581201
  N      -2.687223      2.091992      3.011217
  N      -2.631095      2.224055      1.618222
  H      -3.498666      2.818143      1.198809
  H      -2.609923      1.290990      1.173216
  H      -1.759504      2.716804      1.361728
91
Coordinates from ORCA-job orca E -6725.184563363210
  N      -2.685817      0.168074      5.348259
  Mo     -3.220569      2.053852      4.691693
  N      -4.678806      2.273600      6.162440
  C      -4.218318      2.909674      7.404090
  C      -2.894010      2.320549      7.888075
  N      -1.888659      2.196927      6.794992
  C      -1.075840      0.954410      6.904988
  C      -1.936009     -0.232115      6.524979
  C      -0.983744      3.370088      6.680997
  C      -1.717873      4.569870      6.097305
  N      -2.629723      4.013666      5.121644
  H      -1.326718     -1.129500      6.335568
  H      -2.639336     -0.478225      7.338813
  H      -0.246121      1.054285      6.193114
  H      -0.652721      0.843670      7.917008
  H      -2.274788      5.139662      6.858408
  H      -1.001724      5.264620      5.630991
  H      -0.528797      3.605990      7.657288
  H      -0.181671      3.077152      5.991081
  H      -4.972246      2.777516      8.195521
  H      -4.117369      3.994162      7.239683
  H      -3.078329      1.316197      8.289930
  H      -2.482532      2.936033      8.704930
  C      -6.461458      4.376316     -0.439084
  C      -5.636893      3.408767      0.332705
  O      -4.469505      3.717788      0.658099
  C      -6.197974      2.096706      0.706754
  C      -7.180609      1.447794     -0.064398
  C      -7.610757      0.175422      0.282589
  C      -7.077152     -0.452745      1.408742
  F      -7.512357     -1.684232      1.683428
  C      -6.112962      0.174344      2.224577
  C      -5.508896     -0.500625      3.407477
  O      -5.929431     -1.564408      3.850685
  N      -4.370106      0.123460      3.951253
  C      -3.603809     -0.587024      4.763901
  C      -5.706515      1.453658      1.846120
  C      -6.886505     10.148741     -1.089931
  C      -6.618286      8.818377     -0.428754
  O      -6.989619      7.766609     -0.945979
  C      -5.883896      8.802128      0.874634
  C      -5.317516      9.953329      1.449245
  C      -4.625237      9.869927      2.652941
  C      -4.486813      8.634137      3.281289
  F      -3.831627      8.618102      4.457861
  C      -5.038755      7.457055      2.742238
  C      -4.937114      6.084038      3.329464
  O      -5.782127      5.224992      3.066921
  N      -3.823660      5.882731      4.142652
  C      -3.537043      4.639969      4.407114
  C      -5.745425      7.583848      1.543231
  C     -12.544862     -0.972550      1.437721
  C     -11.533707     -1.046900      2.560001
  O     -11.436771     -2.050357      3.257762
  C     -10.641531      0.134111      2.795194
  C     -10.681262      1.283507      1.988466
  C      -9.807719      2.341691      2.221435
  C      -8.888516      2.238761      3.259930
  F      -8.040213      3.271102      3.450220
  C      -8.833984      1.124365      4.109987
  C      -7.896279      1.002233      5.273368
  O      -8.228607      0.372198      6.280037
  N      -6.636201      1.549219      5.080144
  C      -5.990073      1.935025      6.138358
  C      -9.731039      0.082978      3.857488
  H      -7.327410      4.685479      0.167209
  H      -5.878230      5.260828     -0.712715
  H      -6.864828      3.906185     -1.345941
  H      -7.590193      1.921013     -0.956536
  H      -8.355096     -0.356524     -0.309241
  H      -3.728191     -1.661511      4.956805
  H      -5.016488      1.976446      2.503036
  H      -7.424815     10.825388     -0.409728
  H      -5.939831     10.644888     -1.354507
  H      -7.476531      9.989144     -1.998091
  H      -5.413565     10.922914      0.960391
  H      -4.189776     10.751402      3.123684
  H      -4.236322      3.896651      3.900141
  H      -6.199357      6.690471      1.117834
  H     -13.143410     -1.889141      1.433456
  H     -12.035792     -0.866471      0.467220
  H     -13.205149     -0.100204      1.553918
  H     -11.396435      1.359640      1.169585
  H      -9.825193      3.244397      1.610632
  H      -6.524495      2.038282      7.099690
  H      -9.706660     -0.798723      4.498967
  N      -2.618935      2.078578      3.015524
  N      -2.580537      2.221723      1.625637
  H      -3.457848      2.798903      1.218051
  H      -2.545424      1.293205      1.173326
  H      -1.720554      2.730699      1.361073
91
Coordinates from ORCA-job orca E -6725.185776351002
  N      -2.654379      0.157232      5.350686
  Mo     -3.212297      2.038644      4.693167
  N      -4.668025      2.269095      6.170655
  C      -4.194063      2.910179      7.408944
  C      -2.869650      2.319586      7.883768
  N      -1.865979      2.205991      6.791132
  C      -1.042751      0.973728      6.898134
  C      -1.886511     -0.228783      6.523962
  C      -0.974324      3.389573      6.678113
  C      -1.721394      4.580835      6.093761
  N      -2.626752      4.014018      5.118318
  H      -1.253109     -1.106432      6.322905
  H      -2.577558     -0.496550      7.340505
  H      -0.219034      1.079339      6.180279
  H      -0.611499      0.868511      7.907282
  H      -2.281677      5.146009      6.856052
  H      -1.012480      5.283609      5.628185
  H      -0.522832      3.629445      7.655119
  H      -0.168871      3.105089      5.988090
  H      -4.938920      2.779877      8.209245
  H      -4.100017      3.994252      7.240400
  H      -3.052290      1.311299      8.277382
  H      -2.460418      2.930607      8.705509
  C      -6.547692      4.270040     -0.440496
  C      -5.702913      3.324180      0.338863
  O      -4.538991      3.653012      0.660722
  C      -6.251218      2.008144      0.732942
  C      -7.245350      1.350670     -0.014785
  C      -7.664347      0.080602      0.353515
  C      -7.108390     -0.534295      1.475678
  F      -7.535456     -1.763366      1.771007
  C      -6.133859      0.103405      2.270645
  C      -5.516996     -0.559990      3.454826
  O      -5.906190     -1.631037      3.900667
  N      -4.390670      0.099232      4.001150
  C      -3.609990     -0.594791      4.817461
  C      -5.737956      1.379514      1.872631
  C      -6.922999     10.184780     -1.048391
  C      -6.656132      8.851173     -0.393900
  O      -7.042337      7.803140     -0.907337
  C      -5.901805      8.829315      0.898413
  C      -5.325147      9.976487      1.470457
  C      -4.618144      9.885336      2.664845
  C      -4.475222      8.646540      3.287040
  F      -3.804421      8.624959      4.455195
  C      -5.035932      7.473760      2.750485
  C      -4.935014      6.098369      3.333078
  O      -5.783010      5.243636      3.057858
  N      -3.818173      5.887224      4.139430
  C      -3.535387      4.639801      4.404925
  C      -5.756790      7.608145      1.560112
  C     -12.479077     -0.895275      1.329986
  C     -11.498447     -0.974032      2.477828
  O     -11.437587     -1.970152      3.190423
  C     -10.594216      0.195230      2.725758
  C     -10.592012      1.335150      1.905190
  C      -9.713687      2.384987      2.155229
  C      -8.829694      2.282601      3.223307
  F      -7.987972      3.316373      3.435433
  C      -8.811016      1.173253      4.082227
  C      -7.901506      1.046381      5.270687
  O      -8.261879      0.422304      6.269157
  N      -6.627359      1.579301      5.089832
  C      -5.981602      1.954542      6.156076
  C      -9.715873      0.142505      3.814954
  H      -7.418622      4.550798      0.172466
  H      -5.984588      5.165455     -0.717982
  H      -6.948467      3.793556     -1.348893
  H      -7.673603      1.816108     -0.901394
  H      -8.418491     -0.459325     -0.218533
  H      -3.743904     -1.664517      5.030509
  H      -5.042825      1.917254      2.513906
  H      -7.448900     10.863966     -0.361076
  H      -5.976369     10.675116     -1.323418
  H      -7.525754     10.030351     -1.949262
  H      -5.424484     10.948939      0.987616
  H      -4.174216     10.763515      3.133806
  H      -4.233839      3.899801      3.904294
  H      -6.219017      6.718738      1.135512
  H     -13.088793     -1.804525      1.317529
  H     -11.945219     -0.801684      0.371562
  H     -13.132135     -0.014896      1.423223
  H     -11.281563      1.412928      1.064621
  H      -9.702672      3.285335      1.540331
  H      -6.508509      2.054284      7.120812
  H      -9.724374     -0.733177      4.465424
  N      -2.626105      2.055833      3.011487
  N      -2.622012      2.196749      1.625018
  H      -3.521359      2.775133      1.236223
  H      -2.602653      1.266944      1.174375
  H      -1.769839      2.699421      1.324229
91
Coordinates from ORCA-job orca E -6725.186533624268
  N      -2.564519      0.151721      5.335719
  Mo     -3.174973      2.014001      4.675909
  N      -4.667914      2.197236      6.124955
  C      -4.229159      2.835703      7.380249
  C      -2.898820      2.274248      7.874024
  N      -1.867522      2.212525      6.803950
  C      -1.003887      1.008595      6.911681
  C      -1.796798     -0.219276      6.513757
  C      -1.016802      3.429033      6.724338
  C      -1.790665      4.597782      6.131138
  N      -2.650684      4.009623      5.128222
  H      -1.125256     -1.066806      6.306271
  H      -2.483881     -0.525861      7.319928
  H      -0.173036      1.149164      6.208218
  H      -0.584556      0.906973      7.926520
  H      -2.388929      5.138056      6.882308
  H      -1.094180      5.328309      5.689381
  H      -0.599500      3.676285      7.714853
  H      -0.182753      3.183050      6.053382
  H      -4.983565      2.675837      8.166537
  H      -4.162132      3.922910      7.225979
  H      -3.063005      1.254322      8.245259
  H      -2.527521      2.880061      8.717702
  C      -6.449729      4.292046     -0.459210
  C      -5.608719      3.334185      0.322407
  O      -4.437708      3.649101      0.632616
  C      -6.174126      2.035749      0.745965
  C      -7.203542      1.394488      0.030479
  C      -7.647493      0.141181      0.425352
  C      -7.081869     -0.473259      1.541680
  F      -7.534907     -1.687337      1.864205
  C      -6.071247      0.146430      2.304664
  C      -5.453264     -0.521827      3.484806
  O      -5.854379     -1.586128      3.933809
  N      -4.312518      0.114942      4.022782
  C      -3.536518     -0.592811      4.828308
  C      -5.650042      1.406491      1.881325
  C      -6.893392     10.174309     -1.094111
  C      -6.632506      8.836894     -0.445411
  O      -7.003871      7.790878     -0.973339
  C      -5.901269      8.811014      0.860188
  C      -5.347512      9.960413      1.449422
  C      -4.661332      9.868954      2.655091
  C      -4.516314      8.627957      3.272378
  F      -3.865517      8.606639      4.450958
  C      -5.054765      7.451873      2.720203
  C      -4.950604      6.074040      3.299513
  O      -5.781538      5.211324      2.995286
  N      -3.851762      5.870321      4.133066
  C      -3.553491      4.624363      4.396775
  C      -5.755719      7.586197      1.517333
  C     -12.629899     -0.835323      1.393848
  C     -11.585460     -0.966128      2.478668
  O     -11.476259     -1.997848      3.131944
  C     -10.674837      0.196115      2.735897
  C     -10.721732      1.376098      1.975070
  C      -9.837638      2.418851      2.233063
  C      -8.900346      2.272956      3.250661
  F      -8.062109      3.305573      3.474746
  C      -8.829466      1.119922      4.048709
  C      -7.869966      0.937658      5.189735
  O      -8.186675      0.250300      6.160898
  N      -6.612623      1.506135      5.008672
  C      -5.978073      1.868353      6.083791
  C      -9.740071      0.095858      3.773495
  H      -7.310992      4.591605      0.158722
  H      -5.878017      5.179090     -0.745007
  H      -6.867875      3.819481     -1.365258
  H      -7.644670      1.861380     -0.848778
  H      -8.431335     -0.384407     -0.119333
  H      -3.689762     -1.658268      5.052108
  H      -4.928934      1.934733      2.502131
  H      -7.436542     10.844362     -0.411082
  H      -5.943808     10.671784     -1.345396
  H      -7.477141     10.025037     -2.008389
  H      -5.447812     10.934610      0.970426
  H      -4.234486     10.748851      3.136835
  H      -4.223151      3.874837      3.876066
  H      -6.200551      6.694984      1.078901
  H     -13.230732     -1.750197      1.362955
  H     -12.152660     -0.679665      0.413734
  H     -13.285012      0.029770      1.575487
  H     -11.453853      1.491108      1.175270
  H      -9.864848      3.348989      1.665013
  H      -6.517450      1.939618      7.044549
  H      -9.711621     -0.810812      4.379196
  N      -2.549773      2.060809      2.998822
  N      -2.542786      2.210720      1.609795
  H      -3.452322      2.777712      1.226791
  H      -2.510028      1.284183      1.153229
  H      -1.698574      2.727651      1.314300
91
Coordinates from ORCA-job orca E -6725.183923671318
  N      -2.579751      0.141664      5.328549
  Mo     -3.190264      2.005244      4.663038
  N      -4.674092      2.211303      6.120446
  C      -4.224386      2.848635      7.369575
  C      -2.905432      2.274007      7.859268
  N      -1.880935      2.210733      6.789994
  C      -1.018477      1.010729      6.901015
  C      -1.805072     -0.222139      6.506237
  C      -1.033127      3.425447      6.707663
  C      -1.807983      4.591283      6.108322
  N      -2.665546      4.002440      5.105188
  H      -1.121998     -1.060822      6.293914
  H      -2.486812     -0.539919      7.313101
  H      -0.191227      1.150251      6.196661
  H      -0.596741      0.912165      7.915656
  H      -2.406372      5.131942      6.857584
  H      -1.113901      5.321584      5.666513
  H      -0.617877      3.673477      7.698491
  H      -0.201037      3.177322      6.039034
  H      -4.973362      2.696698      8.159638
  H      -4.150941      3.933226      7.210026
  H      -3.077132      1.255727      8.226160
  H      -2.529696      2.869851      8.703706
  C      -6.429255      4.265660     -0.411804
  C      -5.629355      3.307346      0.343521
  O      -4.465938      3.609376      0.640701
  C      -6.186047      2.010702      0.751930
  C      -7.218276      1.380534      0.041381
  C      -7.657416      0.127238      0.428975
  C      -7.080371     -0.496697      1.530074
  F      -7.540263     -1.705786      1.850849
  C      -6.064420      0.112628      2.288009
  C      -5.438350     -0.560258      3.463674
  O      -5.826290     -1.625451      3.906322
  N      -4.322388      0.089504      4.013526
  C      -3.552978     -0.602466      4.831902
  C      -5.656155      1.372785      1.874373
  C      -6.934134     10.167447     -1.061502
  C      -6.662954      8.834250     -0.408661
  O      -7.044337      7.781406     -0.920665
  C      -5.911325      8.819576      0.881966
  C      -5.350042      9.972841      1.456465
  C      -4.646956      9.886937      2.649725
  C      -4.493656      8.648027      3.269458
  F      -3.827841      8.632155      4.436506
  C      -5.039791      7.469395      2.731289
  C      -4.935212      6.090852      3.307801
  O      -5.770968      5.234230      3.009641
  N      -3.836701      5.875143      4.135248
  C      -3.565457      4.619888      4.375177
  C      -5.755856      7.598330      1.540856
  C     -12.565791     -0.836923      1.382364
  C     -11.552147     -0.954579      2.484432
  O     -11.468565     -1.967952      3.151200
  C     -10.643817      0.210861      2.735136
  C     -10.664740      1.379239      1.952336
  C      -9.787443      2.430139      2.202057
  C      -8.880936      2.306701      3.229046
  F      -8.050149      3.353102      3.444135
  C      -8.835943      1.166269      4.045980
  C      -7.907141      1.009401      5.194592
  O      -8.252605      0.333677      6.171598
  N      -6.633887      1.554669      5.016456
  C      -5.987156      1.905785      6.089716
  C      -9.741618      0.132709      3.781963
  H      -7.264649      4.569723      0.180298
  H      -5.868115      5.145538     -0.675014
  H      -6.828759      3.792343     -1.290099
  H      -7.667163      1.854824     -0.826125
  H      -8.446759     -0.391049     -0.109971
  H      -3.705736     -1.662284      5.068653
  H      -4.943826      1.896500      2.495561
  H      -7.467692     10.842909     -0.376076
  H      -5.990112     10.665738     -1.333163
  H      -7.531121     10.008554     -1.962153
  H      -5.457730     10.945447      0.976339
  H      -4.214369     10.769530      3.120251
  H      -4.234241      3.874525      3.848527
  H      -6.206322      6.704502      1.112849
  H     -13.169944     -1.747121      1.353156
  H     -12.068185     -0.694177      0.413063
  H     -13.215258      0.027313      1.538357
  H     -11.371492      1.477446      1.143785
  H      -9.796996      3.349728      1.622161
  H      -6.515544      1.988020      7.052005
  H      -9.735828     -0.762676      4.401063
  N      -2.564925      2.034996      2.995698
  N      -2.557924      2.173239      1.614851
  H      -3.470261      2.738454      1.223025
  H      -2.532838      1.245547      1.167101
  H      -1.712979      2.691294      1.315441
91
Coordinates from ORCA-job orca E -6725.184509038748
  N      -2.542327      0.119755      5.342598
  Mo     -3.184181      1.981524      4.646282
  N      -4.663936      2.219465      6.118228
  C      -4.209442      2.877468      7.355333
  C      -2.887210      2.310666      7.848145
  N      -1.865121      2.239966      6.776137
  C      -0.983398      1.044717      6.901406
  C      -1.754591     -0.214645      6.524542
  C      -1.030991      3.469360      6.676901
  C      -1.833349      4.617732      6.056094
  N      -2.686732      3.997620      5.054870
  H      -1.046375     -1.043670      6.318401
  H      -2.429277     -0.544175      7.335834
  H      -0.158105      1.184752      6.192369
  H      -0.551236      0.964567      7.917621
  H      -2.445950      5.164249      6.797196
  H      -1.150030      5.354896      5.605403
  H      -0.615817      3.741897      7.667305
  H      -0.192087      3.221169      6.013069
  H      -4.955009      2.734415      8.150247
  H      -4.138335      3.962029      7.179699
  H      -3.054480      1.294908      8.226332
  H      -2.508434      2.916906      8.686658
  C      -6.417093      4.218300     -0.348283
  C      -5.618512      3.239067      0.386823
  O      -4.404955      3.533241      0.681059
  C      -6.186798      1.941796      0.782358
  C      -7.242468      1.312107      0.073185
  C      -7.689938      0.054121      0.455733
  C      -7.099127     -0.575547      1.551067
  F      -7.576073     -1.784443      1.875591
  C      -6.060362      0.031397      2.305079
  C      -5.415632     -0.634743      3.488715
  O      -5.815318     -1.706902      3.938648
  N      -4.293235      0.023693      4.029179
  C      -3.512463     -0.638114      4.853810
  C      -5.649239      1.296200      1.892311
  C      -6.981401     10.154175     -1.017187
  C      -6.695771      8.830900     -0.360289
  O      -7.079399      7.772702     -0.861166
  C      -5.928718      8.827564      0.919770
  C      -5.365493      9.984956      1.487040
  C      -4.645476      9.905452      2.670033
  C      -4.478888      8.669245      3.286846
  F      -3.797942      8.656995      4.443521
  C      -5.030139      7.488011      2.755865
  C      -4.923104      6.108927      3.321431
  O      -5.768809      5.260500      3.032232
  N      -3.819837      5.871505      4.135388
  C      -3.594416      4.601962      4.322035
  C      -5.760106      7.610553      1.575200
  C     -12.574281     -0.769649      1.275882
  C     -11.553272     -0.898215      2.394754
  O     -11.445926     -1.947752      3.065551
  C     -10.657540      0.270295      2.672373
  C     -10.708322      1.453594      1.899404
  C      -9.841578      2.501240      2.177677
  C      -8.913380      2.361257      3.221524
  F      -8.093411      3.411831      3.462373
  C      -8.840085      1.209011      4.028624
  C      -7.895621      1.042455      5.191868
  O      -8.215342      0.357848      6.175690
  N      -6.635065      1.572441      5.020733
  C      -5.978544      1.916705      6.092433
  C      -9.736595      0.175831      3.738292
  H      -7.259257      4.545856      0.275058
  H      -5.827200      5.093836     -0.599876
  H      -6.833186      3.746906     -1.244777
  H      -7.702689      1.790257     -0.789063
  H      -8.496404     -0.462472     -0.080602
  H      -3.650097     -1.689923      5.113811
  H      -4.931003      1.815556      2.512074
  H      -7.508708     10.828937     -0.330163
  H      -6.045865     10.657830     -1.303134
  H      -7.586873      9.983865     -1.908618
  H      -5.483870     10.955224      1.008884
  H      -4.210499     10.790685      3.134388
  H      -4.255541      3.848016      3.788709
  H      -6.209448      6.713176      1.149794
  H     -13.161829     -1.692552      1.233759
  H     -12.094738     -0.606984      0.288231
  H     -13.229819      0.097111      1.454511
  H     -11.429561      1.563246      1.078410
  H      -9.877330      3.426767      1.609458
  H      -6.505692      2.014876      7.051155
  H      -9.711651     -0.729071      4.348839
  N      -2.553734      1.980387      3.004674
  N      -2.541386      2.089834      1.627908
  H      -3.454811      2.647910      1.210725
  H      -2.516719      1.150342      1.196954
  H      -1.701602      2.612705      1.332151
91
Coordinates from ORCA-job orca E -6725.183128722940
  N      -2.533711      0.117064      5.358468
  Mo     -3.187377      1.971058      4.658348
  N      -4.671030      2.200871      6.128396
  C      -4.222511      2.861193      7.369212
  C      -2.889476      2.303784      7.859661
  N      -1.863656      2.239936      6.780921
  C      -0.974634      1.047223      6.904592
  C      -1.743412     -0.211425      6.536589
  C      -1.035666      3.474812      6.675263
  C      -1.845126      4.616139      6.058718
  N      -2.699068      3.989839      5.061612
  H      -1.038869     -1.037509      6.330627
  H      -2.410778     -0.538013      7.351664
  H      -0.150263      1.189820      6.190246
  H      -0.539571      0.969986      7.917616
  H      -2.456546      5.159537      6.801339
  H      -1.166713      5.357106      5.602801
  H      -0.618680      3.752267      7.661928
  H      -0.195535      3.232335      6.007488
  H      -4.973110      2.712992      8.163387
  H      -4.154412      3.947509      7.197276
  H      -3.049449      1.283643      8.236426
  H      -2.512250      2.914168      8.702087
  C      -6.440431      4.258494     -0.386292
  C      -5.583151      3.257737      0.379219
  O      -4.410435      3.556459      0.672605
  C      -6.149077      1.960514      0.788369
  C      -7.193185      1.337989      0.074511
  C      -7.644433      0.082086      0.457380
  C      -7.072964     -0.556837      1.562003
  F      -7.546538     -1.765802      1.881785
  C      -6.048730      0.041585      2.323262
  C      -5.428268     -0.633934      3.504965
  O      -5.830798     -1.717709      3.949034
  N      -4.294641      0.023123      4.046490
  C      -3.507124     -0.647872      4.870548
  C      -5.624569      1.307701      1.909025
  C      -6.928413     10.211400     -1.064591
  C      -6.662148      8.879432     -0.403894
  O      -7.048033      7.835076     -0.923087
  C      -5.911246      8.852473      0.899528
  C      -5.343161      9.998496      1.487856
  C      -4.635763      9.903188      2.690793
  C      -4.486534      8.661607      3.306813
  F      -3.816228      8.630615      4.481951
  C      -5.042887      7.491107      2.757731
  C      -4.946468      6.110502      3.327955
  O      -5.805759      5.266821      3.024461
  N      -3.839402      5.864745      4.149334
  C      -3.615369      4.591102      4.327715
  C      -5.761056      7.628395      1.555526
  C     -12.619170     -0.814568      1.325966
  C     -11.585613     -0.918736      2.422738
  O     -11.484847     -1.911721      3.076891
  C     -10.681705      0.242376      2.686340
  C     -10.727145      1.403861      1.924663
  C      -9.846062      2.447274      2.191501
  C      -8.907362      2.310928      3.225835
  F      -8.073320      3.340492      3.463190
  C      -8.837773      1.175444      4.025307
  C      -7.882079      1.002493      5.178861
  O      -8.198458      0.342714      6.140857
  N      -6.626944      1.545316      5.006051
  C      -5.987288      1.888327      6.087030
  C      -9.749286      0.153901      3.738448
  H      -7.305930      4.578397      0.283950
  H      -5.841419      5.148213     -0.670194
  H      -6.897371      3.811734     -1.316140
  H      -7.642757      1.821476     -0.797103
  H      -8.437862     -0.425861     -0.085129
  H      -3.642056     -1.707339      5.131956
  H      -4.902598      1.824771      2.537021
  H      -7.464420     10.888690     -0.378352
  H      -5.977679     10.702031     -1.328763
  H      -7.525129     10.058700     -1.978297
  H      -5.446899     10.972756      1.010420
  H      -4.196921     10.779951      3.170269
  H      -4.277930      3.837731      3.793922
  H      -6.212208      6.738442      1.113942
  H     -13.211591     -1.733819      1.296601
  H     -12.138989     -0.665102      0.349995
  H     -13.282146      0.047565      1.499994
  H     -11.456744      1.511109      1.112888
  H      -9.882130      3.373576      1.616490
  H      -6.532380      1.973814      7.046002
  H      -9.722680     -0.747433      4.347910
  N      -2.563395      1.979489      2.997824
  N      -2.558299      2.097952      1.590013
  H      -3.482792      2.671334      1.179976
  H      -2.532137      1.159994      1.140050
  H      -1.715428      2.609307      1.282516
91
Coordinates from ORCA-job orca E -6725.179637999834
  N      -2.548554      0.123579      5.347892
  Mo     -3.204187      1.976324      4.660688
  N      -4.694295      2.184717      6.123428
  C      -4.255855      2.832612      7.371608
  C      -2.918485      2.277110      7.858514
  N      -1.887464      2.230249      6.780977
  C      -0.997725      1.046354      6.897202
  C      -1.761000     -0.206558      6.520652
  C      -1.068121      3.467730      6.680520
  C      -1.874156      4.606871      6.074008
  N      -2.722631      3.990308      5.076125
  H      -1.060276     -1.025066      6.308398
  H      -2.425158     -0.537849      7.333855
  H      -0.172438      1.197329      6.185418
  H      -0.567252      0.965112      7.906778
  H      -2.482496      5.140809      6.818430
  H      -1.197610      5.351571      5.622292
  H      -0.655379      3.739668      7.664180
  H      -0.227879      3.232955      6.010697
  H      -5.011308      2.672382      8.161235
  H      -4.192358      3.919040      7.211832
  H      -3.074532      1.251034      8.220990
  H      -2.547021      2.879572      8.709257
  C      -6.511569      4.278230     -0.408030
  C      -5.634238      3.298402      0.360327
  O      -4.496700      3.615615      0.625446
  C      -6.175527      1.991634      0.787539
  C      -7.206784      1.362483      0.084722
  C      -7.630605      0.104386      0.471385
  C      -7.046917     -0.531659      1.570978
  F      -7.491355     -1.745082      1.888494
  C      -6.038314      0.070174      2.325786
  C      -5.420858     -0.612622      3.488943
  O      -5.780360     -1.680991      3.920180
  N      -4.303872      0.038999      4.033702
  C      -3.511692     -0.640870      4.861094
  C      -5.633567      1.340247      1.912279
  C      -6.796549     10.290922     -1.111852
  C      -6.572396      8.946728     -0.448795
  O      -6.967038      7.913318     -0.976943
  C      -5.851500      8.898272      0.868539
  C      -5.273100     10.031147      1.466257
  C      -4.592301      9.918284      2.680741
  C      -4.480027      8.671499      3.299366
  F      -3.832096      8.621242      4.485515
  C      -5.048177      7.514076      2.744201
  C      -4.982785      6.132042      3.325116
  O      -5.849845      5.297588      3.007577
  N      -3.880243      5.875854      4.157520
  C      -3.640026      4.599041      4.343193
  C      -5.740085      7.667973      1.529127
  C     -12.589762     -0.892800      1.398679
  C     -11.557366     -1.012185      2.491120
  O     -11.439259     -2.071173      3.161891
  C     -10.664589      0.171037      2.742405
  C     -10.714096      1.355193      1.980272
  C      -9.841757      2.416346      2.228906
  C      -8.914947      2.286627      3.236419
  F      -8.083968      3.323977      3.456130
  C      -8.843155      1.126141      4.038016
  C      -7.894390      0.940658      5.180057
  O      -8.230791      0.225977      6.179307
  N      -6.633438      1.527000      4.985492
  C      -6.005955      1.864788      6.071948
  C      -9.743602      0.087039      3.769413
  H      -7.358167      4.575421      0.250196
  H      -5.938769      5.182284     -0.709197
  H      -6.969616      3.826344     -1.311283
  H      -7.665431      1.841978     -0.785298
  H      -8.412245     -0.409851     -0.065481
  H      -3.642389     -1.705168      5.119690
  H      -4.908785      1.865278      2.537330
  H      -7.335109     10.978640     -0.436218
  H      -5.828509     10.761206     -1.352651
  H      -7.376114     10.156709     -2.038049
  H      -5.346796     11.008841      0.986751
  H      -4.145177     10.784915      3.167075
  H      -4.296782      3.855838      3.801717
  H      -6.199134      6.788304      1.082218
  H     -13.180644     -1.816934      1.366672
  H     -12.101378     -0.733791      0.424232
  H     -13.261507     -0.027788      1.578996
  H     -11.435694      1.461440      1.184652
  H      -9.879950      3.354699      1.653633
  H      -6.558913      1.928941      7.033705
  H      -9.711938     -0.827243      4.377513
  N      -2.572956      2.003449      2.965442
  N      -2.580844      2.136917      1.553026
  H      -3.515120      2.713297      1.170640
  H      -2.551436      1.210733      1.095210
  H      -1.740415      2.652532      1.239147
91
Coordinates from ORCA-job orca E -6725.185388105288
  N      -2.545712      0.128347      5.343749
  Mo     -3.192530      1.978899      4.653862
  N      -4.680825      2.197345      6.113588
  C      -4.240619      2.846402      7.357991
  C      -2.909056      2.289209      7.846211
  N      -1.883167      2.236650      6.772310
  C      -0.998562      1.054859      6.893966
  C      -1.760898     -0.197762      6.521069
  C      -1.065140      3.469712      6.668613
  C      -1.869058      4.606965      6.056890
  N      -2.713853      3.991315      5.061213
  H      -1.058230     -1.015944      6.313493
  H      -2.426661     -0.526817      7.333820
  H      -0.175925      1.200641      6.184054
  H      -0.569056      0.976196      7.905139
  H      -2.477701      5.142974      6.798549
  H      -1.192963      5.348539      5.604394
  H      -0.653827      3.743457      7.651649
  H      -0.226721      3.232639      6.001952
  H      -4.991938      2.690568      8.147855
  H      -4.176655      3.930854      7.193213
  H      -3.067268      1.266588      8.211681
  H      -2.536625      2.890130      8.690900
  C      -6.495156      4.218924     -0.369119
  C      -5.663678      3.257287      0.373430
  O      -4.443542      3.588434      0.644564
  C      -6.212186      1.948609      0.790452
  C      -7.257315      1.307486      0.090373
  C      -7.679466      0.046923      0.475667
  C      -7.080326     -0.575739      1.569607
  F      -7.524313     -1.789105      1.890090
  C      -6.054352      0.041207      2.318919
  C      -5.414737     -0.624617      3.487357
  O      -5.775872     -1.687992      3.922409
  N      -4.294260      0.037717      4.031894
  C      -3.504750     -0.635320      4.860195
  C      -5.656780      1.307929      1.903751
  C      -6.842922     10.266390     -1.053959
  C      -6.599326      8.924135     -0.405863
  O      -6.985725      7.879522     -0.926228
  C      -5.868561      8.889249      0.891939
  C      -5.302935     10.031214      1.479868
  C      -4.616217      9.927322      2.676530
  C      -4.485897      8.680874      3.286917
  F      -3.833295      8.641245      4.457437
  C      -5.041805      7.514444      2.738745
  C      -4.963507      6.131789      3.309592
  O      -5.815949      5.296705      3.005123
  N      -3.865341      5.877708      4.137569
  C      -3.628047      4.601094      4.325559
  C      -5.737737      7.660083      1.542428
  C     -12.573533     -0.844680      1.362349
  C     -11.548121     -0.967805      2.456396
  O     -11.441862     -2.015924      3.117171
  C     -10.653293      0.208850      2.717034
  C     -10.705240      1.398958      1.950961
  C      -9.837450      2.451563      2.210529
  C      -8.912458      2.315942      3.222834
  F      -8.087369      3.358441      3.449426
  C      -8.837891      1.154762      4.022984
  C      -7.892239      0.981502      5.160786
  O      -8.223127      0.292612      6.119547
  N      -6.627055      1.547946      4.980901
  C      -5.992208      1.885748      6.065496
  C      -9.733117      0.119046      3.751415
  H      -7.318441      4.519061      0.245044
  H      -5.925882      5.107365     -0.641625
  H      -6.909543      3.753160     -1.246395
  H      -7.723636      1.779894     -0.771234
  H      -8.474789     -0.479117     -0.057828
  H      -3.637813     -1.695837      5.120768
  H      -4.930913      1.834852      2.520876
  H      -7.377928     10.942446     -0.373568
  H      -5.888434     10.754146     -1.305528
  H      -7.425789     10.124252     -1.962390
  H      -5.393391     11.009351      1.005087
  H      -4.178318     10.800439      3.157266
  H      -4.280447      3.863607      3.785364
  H      -6.187577      6.774259      1.100505
  H     -13.166887     -1.762679      1.319021
  H     -12.083576     -0.679699      0.398570
  H     -13.235260      0.006519      1.538012
  H     -11.426173      1.508587      1.150212
  H      -9.875593      3.378942      1.646810
  H      -6.538375      1.958033      7.022728
  H      -9.702666     -0.786210      4.355879
  N      -2.553853      1.997100      2.984378
  N      -2.549235      2.122952      1.604861
  H      -3.463738      2.700070      1.217622
  H      -2.525945      1.199363      1.153846
  H      -1.709444      2.635296      1.309585
91
Coordinates from ORCA-job orca E -6725.183124546154
  N      -2.515307      0.125819      5.365799
  Mo     -3.175288      1.970674      4.659003
  N      -4.660478      2.195288      6.124742
  C      -4.215894      2.855263      7.363183
  C      -2.880511      2.308840      7.849597
  N      -1.858261      2.253096      6.773281
  C      -0.963069      1.071722      6.902477
  C      -1.721387     -0.192422      6.543736
  C      -1.044416      3.491701      6.657017
  C      -1.857993      4.622937      6.035199
  N      -2.704370      3.991270      5.044059
  H      -1.011818     -1.013452      6.339270
  H      -2.381839     -0.519870      7.363794
  H      -0.143515      1.216939      6.188193
  H      -0.527565      1.005093      7.916942
  H      -2.470295      5.165235      6.776096
  H      -1.187115      5.365035      5.573638
  H      -0.630221      3.777137      7.641386
  H      -0.205749      3.252529      5.990829
  H      -4.962284      2.702140      8.156944
  H      -4.155339      3.941429      7.190031
  H      -3.032158      1.287825      8.222389
  H      -2.506902      2.917395      8.688229
  C      -6.445174      4.225131     -0.346156
  C      -5.620073      3.225917      0.397187
  O      -4.432626      3.524704      0.699907
  C      -6.181188      1.928853      0.793029
  C      -7.233966      1.298594      0.084713
  C      -7.675314      0.036052      0.471775
  C      -7.087814     -0.596686      1.572922
  F      -7.550146     -1.812102      1.898083
  C      -6.049760      0.014980      2.326943
  C      -5.404054     -0.647653      3.517667
  O      -5.816020     -1.747287      3.974384
  N      -4.269137      0.021345      4.059983
  C      -3.485619     -0.644307      4.884923
  C      -5.638670      1.280879      1.903267
  C      -6.938218     10.200469     -1.031527
  C      -6.666204      8.870290     -0.377358
  O      -7.055394      7.818724     -0.886742
  C      -5.906252      8.853941      0.910930
  C      -5.337534     10.006471      1.483100
  C      -4.625256      9.919419      2.671828
  C      -4.472646      8.680216      3.289673
  F      -3.796937      8.656545      4.452240
  C      -5.031079      7.504043      2.755935
  C      -4.937321      6.126547      3.331064
  O      -5.789696      5.290297      3.044788
  N      -3.834178      5.873779      4.145766
  C      -3.620113      4.595647      4.311727
  C      -5.751730      7.633088      1.568068
  C     -12.636688     -0.770371      1.273575
  C     -11.597601     -0.897697      2.374425
  O     -11.492865     -1.891648      3.017753
  C     -10.690821      0.257508      2.652750
  C     -10.736972      1.438100      1.894660
  C      -9.853219      2.478460      2.177343
  C      -8.905610      2.319284      3.226228
  F      -8.069254      3.357988      3.475482
  C      -8.834900      1.164664      4.022020
  C      -7.877863      0.980967      5.179556
  O      -8.193718      0.295175      6.161611
  N      -6.618512      1.540812      5.004005
  C      -5.973940      1.881129      6.085810
  C      -9.747574      0.141404      3.725257
  H      -7.293192      4.545661      0.295468
  H      -5.848256      5.092158     -0.605761
  H      -6.882406      3.788232     -1.264220
  H      -7.692991      1.779461     -0.778635
  H      -8.477985     -0.481935     -0.065665
  H      -3.617235     -1.700756      5.150081
  H      -4.912354      1.799581      2.519409
  H      -7.465435     10.873899     -0.344790
  H      -5.996187     10.695848     -1.305656
  H      -7.539404     10.043955     -1.930676
  H      -5.446929     10.978638      1.002085
  H      -4.185136     10.800564      3.140346
  H      -4.279731      3.855503      3.772943
  H      -6.205711      6.738960      1.138735
  H     -13.227050     -1.694247      1.240498
  H     -12.157186     -0.606546      0.277580
  H     -13.299995      0.098081      1.463179
  H     -11.470673      1.560726      1.075273
  H      -9.888566      3.409170      1.616267
  H      -6.510824      1.956451      7.045009
  H      -9.721761     -0.769815      4.327932
  N      -2.550292      1.978562      3.005333
  N      -2.548959      2.094483      1.618669
  H      -3.462628      2.666549      1.222194
  H      -2.526248      1.162867      1.172416
  H      -1.705033      2.607057      1.314659
91
Coordinates from ORCA-job orca E -6725.184676360068
  N      -2.536452      0.119634      5.355746
  Mo     -3.194356      1.963375      4.650580
  N      -4.684702      2.187540      6.108370
  C      -4.246958      2.846404      7.349581
  C      -2.912130      2.298867      7.841761
  N      -1.885281      2.245098      6.767900
  C      -0.990735      1.067162      6.898328
  C      -1.746853     -0.195478      6.534805
  C      -1.073482      3.483809      6.656026
  C      -1.886802      4.611942      6.034117
  N      -2.728824      3.981564      5.039319
  H      -1.037158     -1.012492      6.331621
  H      -2.409021     -0.524205      7.351303
  H      -0.168104      1.213419      6.186432
  H      -0.559249      0.999652      7.911196
  H      -2.501393      5.151363      6.771978
  H      -1.215221      5.355362      5.576268
  H      -0.663598      3.768774      7.639611
  H      -0.231693      3.246776      5.992084
  H      -4.997943      2.692561      8.139913
  H      -4.186169      3.931055      7.178110
  H      -3.065147      1.277387      8.212512
  H      -2.541092      2.907133      8.684479
  C      -6.492020      4.210742     -0.338324
  C      -5.647072      3.240371      0.401630
  O      -4.474119      3.560877      0.676463
  C      -6.188305      1.936466      0.812637
  C      -7.230123      1.300022      0.112193
  C      -7.652608      0.041002      0.494831
  C      -7.058418     -0.585963      1.586816
  F      -7.503802     -1.798415      1.904947
  C      -6.036147      0.024607      2.335928
  C      -5.399886     -0.641149      3.504488
  O      -5.764072     -1.702890      3.940054
  N      -4.287473      0.017137      4.042746
  C      -3.499317     -0.651349      4.874417
  C      -5.636115      1.290545      1.922324
  C      -6.854576     10.295845     -1.049298
  C      -6.612624      8.951837     -0.404829
  O      -7.012171      7.913066     -0.929606
  C      -5.869189      8.907833      0.892405
  C      -5.287069     10.043288      1.484763
  C      -4.589010      9.930528      2.682708
  C      -4.464645      8.681873      3.289658
  F      -3.801432      8.632028      4.461147
  C      -5.037346      7.522449      2.737517
  C      -4.971241      6.136983      3.303789
  O      -5.845538      5.312100      2.995759
  N      -3.868846      5.867432      4.128011
  C      -3.644448      4.588813      4.301739
  C      -5.743310      7.676772      1.539653
  C     -12.591659     -0.829015      1.342788
  C     -11.554512     -0.959811      2.437353
  O     -11.437044     -2.040484      3.109335
  C     -10.660045      0.216885      2.702472
  C     -10.719171      1.394527      1.952759
  C      -9.853616      2.444622      2.215049
  C      -8.920533      2.310153      3.219694
  F      -8.100519      3.351753      3.447236
  C      -8.838298      1.160220      4.005466
  C      -7.882757      0.982623      5.141007
  O      -8.197207      0.309674      6.082375
  N      -6.627798      1.538209      4.973031
  C      -5.995236      1.873774      6.059127
  C      -9.733587      0.129646      3.728109
  H      -7.329900      4.519042      0.301243
  H      -5.915470      5.097854     -0.615576
  H      -6.926776      3.747468     -1.234474
  H      -7.696230      1.775091     -0.748326
  H      -8.445309     -0.480400     -0.038931
  H      -3.629633     -1.709670      5.141203
  H      -4.911452      1.813120      2.539828
  H      -7.382033     10.975051     -0.359853
  H      -5.898380     10.777677     -1.306819
  H      -7.447692     10.158366     -1.958809
  H      -5.373076     11.022371      1.013999
  H      -4.138830     10.798694      3.165649
  H      -4.298197      3.852344      3.758980
  H      -6.206318      6.795636      1.096249
  H     -13.181389     -1.748672      1.298376
  H     -12.112738     -0.659129      0.372711
  H     -13.254786      0.023275      1.528477
  H     -11.447401      1.504458      1.156861
  H      -9.903100      3.374428      1.654790
  H      -6.542687      1.948197      7.015090
  H      -9.694172     -0.775605      4.326775
  N      -2.557127      1.972239      2.983348
  N      -2.553682      2.089293      1.591951
  H      -3.474427      2.665576      1.197743
  H      -2.528132      1.156545      1.148570
  H      -1.711392      2.602828      1.285642
91
Coordinates from ORCA-job orca E -6725.176786788222
  N      -2.543719      0.119539      5.348603
  Mo     -3.204444      1.961521      4.644364
  N      -4.697986      2.186332      6.100861
  C      -4.263856      2.845225      7.344303
  C      -2.926389      2.298310      7.836062
  N      -1.897614      2.248065      6.760347
  C      -0.999925      1.072967      6.890051
  C      -1.752983     -0.191680      6.526217
  C      -1.090284      3.490365      6.648567
  C      -1.908367      4.613997      6.026357
  N      -2.747175      3.980004      5.030524
  H      -1.040066     -1.004610      6.321103
  H      -2.413706     -0.524232      7.342806
  H      -0.176511      1.220352      6.177194
  H      -0.568294      1.006263      7.901472
  H      -2.525917      5.151854      6.763096
  H      -1.238878      5.360346      5.568668
  H      -0.682074      3.778073      7.631101
  H      -0.245707      3.256162      5.984389
  H      -5.016500      2.689212      8.134842
  H      -4.205295      3.929659      7.174260
  H      -3.078789      1.275130      8.204265
  H      -2.555764      2.906072      8.681952
  C      -6.513737      4.216087     -0.334565
  C      -5.660212      3.258947      0.406003
  O      -4.444194      3.594126      0.666976
  C      -6.201866      1.941174      0.823480
  C      -7.246226      1.302109      0.125703
  C      -7.662520      0.038516      0.503115
  C      -7.061330     -0.591728      1.589348
  F      -7.500603     -1.808036      1.902049
  C      -6.040161      0.017537      2.337115
  C      -5.406047     -0.651454      3.496007
  O      -5.761044     -1.702535      3.924442
  N      -4.295528      0.010738      4.035093
  C      -3.501539     -0.654613      4.870445
  C      -5.641016      1.288837      1.930645
  C      -6.786998     10.355986     -1.059816
  C      -6.568718      9.007199     -0.416970
  O      -6.975603      7.977907     -0.947108
  C      -5.838199      8.947710      0.885351
  C      -5.246282     10.071763      1.485547
  C      -4.558614      9.944924      2.687743
  C      -4.454794      8.693082      3.291286
  F      -3.799694      8.628723      4.465934
  C      -5.038950      7.545015      2.732967
  C      -4.993744      6.157413      3.297343
  O      -5.881616      5.342358      2.979376
  N      -3.890062      5.873442      4.122746
  C      -3.663982      4.590574      4.291948
  C      -5.734140      7.712935      1.529909
  C     -12.565491     -0.902428      1.386725
  C     -11.536064     -1.010331      2.469054
  O     -11.434146     -2.034531      3.120806
  C     -10.650089      0.173245      2.725844
  C     -10.718778      1.368712      1.967030
  C      -9.862138      2.435684      2.217554
  C      -8.935244      2.308032      3.209832
  F      -8.119724      3.354627      3.428858
  C      -8.844276      1.139532      4.004863
  C      -7.889099      0.953572      5.143478
  O      -8.224661      0.210970      6.173553
  N      -6.632147      1.537314      4.954225
  C      -6.007916      1.869620      6.043766
  C      -9.730632      0.095013      3.738057
  H      -7.343356      4.510409      0.303902
  H      -5.940726      5.120934     -0.620824
  H      -6.947477      3.744067     -1.219968
  H      -7.718119      1.779695     -0.732515
  H      -8.454469     -0.483891     -0.030198
  H      -3.629190     -1.715139      5.140699
  H      -4.910844      1.811636      2.549942
  H      -7.312368     11.040002     -0.374060
  H      -5.821185     10.825926     -1.306727
  H      -7.373548     10.229618     -1.974900
  H      -5.315000     11.053282      1.018019
  H      -4.100537     10.804644      3.175796
  H      -4.313828      3.859320      3.745497
  H      -6.203963      6.840379      1.081028
  H     -13.154554     -1.817443      1.336982
  H     -12.081804     -0.734357      0.440716
  H     -13.229433     -0.067841      1.561950
  H     -11.443117      1.473767      1.178197
  H      -9.917512      3.374967      1.651884
  H      -6.563235      1.933532      6.999592
  H      -9.685391     -0.816930      4.340347
  N      -2.561319      1.968432      2.969703
  N      -2.557295      2.083149      1.576535
  H      -3.478624      2.660680      1.183474
  H      -2.532544      1.148334      1.135092
  H      -1.718086      2.594540      1.269776
91
Coordinates from ORCA-job orca E -6725.184359458072
  N      -2.521829      0.123601      5.366484
  Mo     -3.185367      1.961235      4.655674
  N      -4.672057      2.189475      6.117740
  C      -4.231400      2.853041      7.355626
  C      -2.894074      2.309865      7.841230
  N      -1.873009      2.256515      6.761462
  C      -0.973027      1.082706      6.894132
  C      -1.724249     -0.184427      6.542218
  C      -1.068785      3.499210      6.637558
  C      -1.888046      4.621008      6.012719
  N      -2.729827      3.983672      5.024514
  H      -1.011947     -0.998609      6.337710
  H      -2.378985     -0.513783      7.364599
  H      -0.155740      1.229184      6.176827
  H      -0.536078      1.022427      7.905937
  H      -2.500915      5.161840      6.751302
  H      -1.222152      5.365592      5.547536
  H      -0.656715      3.791186      7.618217
  H      -0.229161      3.262661      5.970995
  H      -4.978177      2.699048      8.150831
  H      -4.174893      3.938377      7.180300
  H      -3.042183      1.287922      8.214156
  H      -2.521135      2.919171      8.680097
  C      -6.462899      4.231787     -0.339926
  C      -5.630757      3.229504      0.407272
  O      -4.443123      3.520316      0.695457
  C      -6.191763      1.926185      0.808491
  C      -7.241786      1.300699      0.106005
  C      -7.676578      0.035180      0.491470
  C      -7.085592     -0.605560      1.588957
  F      -7.542978     -1.823120      1.911846
  C      -6.053013      0.000052      2.339514
  C      -5.414383     -0.668887      3.523107
  O      -5.816717     -1.779423      3.980155
  N      -4.277517      0.008247      4.064570
  C      -3.485900     -0.652458      4.893597
  C      -5.643408      1.269064      1.917720
  C      -6.871440     10.286591     -1.039994
  C      -6.622525      8.947246     -0.390250
  O      -7.019967      7.909217     -0.910483
  C      -5.873796      8.906845      0.905700
  C      -5.293391     10.044059      1.491519
  C      -4.590253      9.935598      2.686416
  C      -4.459418      8.689359      3.297193
  F      -3.790338      8.643304      4.464843
  C      -5.031482      7.528495      2.752228
  C      -4.959995      6.147286      3.323036
  O      -5.825150      5.324500      3.031049
  N      -3.857244      5.876595      4.136343
  C      -3.646241      4.592498      4.290968
  C      -5.741953      7.678039      1.556960
  C     -12.613627     -0.841673      1.316596
  C     -11.583733     -0.950387      2.409121
  O     -11.478486     -1.941293      3.056528
  C     -10.683640      0.212035      2.673597
  C     -10.728944      1.401533      1.903723
  C      -9.847072      2.452491      2.174573
  C      -8.907124      2.303316      3.215332
  F      -8.070741      3.339138      3.456829
  C      -8.839486      1.143100      4.018777
  C      -7.892425      0.967991      5.166064
  O      -8.229650      0.268999      6.159140
  N      -6.625377      1.533936      4.990088
  C      -5.986040      1.875041      6.072883
  C      -9.749521      0.109855      3.734664
  H      -7.303085      4.548560      0.295936
  H      -5.867766      5.109614     -0.607588
  H      -6.901725      3.797531     -1.245617
  H      -7.704917      1.786353     -0.755817
  H      -8.474790     -0.478530     -0.042954
  H      -3.614303     -1.710949      5.166061
  H      -4.911753      1.786534      2.533969
  H      -7.397249     10.963786     -0.354908
  H      -5.918183     10.770008     -1.301683
  H      -7.467665     10.145352     -1.947717
  H      -5.384606     11.021980      1.017041
  H      -4.140778     10.805329      3.163893
  H      -4.304585      3.863322      3.745225
  H      -6.203603      6.795123      1.118013
  H     -13.204427     -1.766795      1.286627
  H     -12.124028     -0.682348      0.332313
  H     -13.283222      0.022067      1.496746
  H     -11.453460      1.513999      1.093350
  H      -9.879479      3.385596      1.608621
  H      -6.528602      1.947581      7.031146
  H      -9.726693     -0.800930      4.340707
  N      -2.557196      1.965974      2.989660
  N      -2.561104      2.079785      1.597028
  H      -3.475716      2.655062      1.210576
  H      -2.543599      1.149672      1.148518
  H      -1.717839      2.588511      1.288419
91
Coordinates from ORCA-job orca E -6725.183570988809
  N      -2.503033      0.121190      5.359081
  Mo     -3.179509      1.958561      4.651651
  N      -4.674873      2.177557      6.108126
  C      -4.242607      2.839382      7.349288
  C      -2.901946      2.305698      7.838588
  N      -1.872330      2.263748      6.763529
  C      -0.960039      1.095370      6.894890
  C      -1.703515     -0.182182      6.536966
  C      -1.074132      3.517482      6.648788
  C      -1.905299      4.632949      6.024136
  N      -2.740034      3.985641      5.028305
  H      -0.978723     -0.992666      6.330331
  H      -2.361481     -0.521581      7.357770
  H      -0.137822      1.249263      6.181002
  H      -0.524639      1.037054      7.907828
  H      -2.530360      5.169136      6.760243
  H      -1.241531      5.385804      5.565358
  H      -0.666746      3.814474      7.632634
  H      -0.225918      3.289523      5.986003
  H      -4.992653      2.678091      8.138962
  H      -4.190953      3.925579      7.179456
  H      -3.047182      1.280893      8.205655
  H      -2.535449      2.916450      8.683367
  C      -6.501163      4.179251     -0.286307
  C      -5.662980      3.201187      0.438410
  O      -4.499194      3.505532      0.707863
  C      -6.207192      1.901466      0.834588
  C      -7.255885      1.260950      0.132783
  C      -7.665355     -0.005045      0.507394
  C      -7.050957     -0.631554      1.593543
  F      -7.480655     -1.852499      1.904832
  C      -6.022344     -0.011371      2.342956
  C      -5.358467     -0.671934      3.512744
  O      -5.692000     -1.759806      3.954080
  N      -4.256212     -0.004643      4.048490
  C      -3.460938     -0.657769      4.879777
  C      -5.640860      1.257526      1.932627
  C      -6.854158     10.271231     -1.047046
  C      -6.616150      8.930367     -0.388724
  O      -7.024550      7.880218     -0.900443
  C      -5.866675      8.901978      0.906206
  C      -5.275501     10.045444      1.482887
  C      -4.571516      9.945166      2.677809
  C      -4.450149      8.701137      3.297322
  F      -3.778208      8.663781      4.464157
  C      -5.034058      7.534097      2.760989
  C      -4.974551      6.152547      3.337243
  O      -5.846796      5.335390      3.044842
  N      -3.872951      5.874592      4.148592
  C      -3.658005      4.592815      4.293921
  C      -5.744835      7.676714      1.566687
  C     -12.642742     -0.787472      1.285503
  C     -11.590734     -0.917620      2.373390
  O     -11.467876     -1.982592      3.025255
  C     -10.691881      0.250516      2.656431
  C     -10.765654      1.425733      1.930846
  C      -9.900000      2.473688      2.206214
  C      -8.939877      2.326443      3.217120
  F      -8.119198      3.368359      3.457276
  C      -8.838007      1.169877      3.986878
  C      -7.863703      0.979245      5.123971
  O      -8.151204      0.307625      6.052382
  N      -6.618881      1.535927      4.961878
  C      -5.984211      1.859276      6.057958
  C      -9.736594      0.143503      3.694386
  H      -7.349050      4.494576      0.366316
  H      -5.915693      5.060464     -0.553390
  H      -6.947917      3.711599     -1.192942
  H      -7.732202      1.735592     -0.721243
  H      -8.460586     -0.532166     -0.027413
  H      -3.581757     -1.711042      5.153902
  H      -4.913360      1.781388      2.544414
  H      -7.378136     10.962622     -0.361645
  H      -5.895702     10.748495     -1.315310
  H      -7.450870     10.123284     -1.952286
  H      -5.358932     11.021041      1.001275
  H      -4.113506     10.819579      3.148280
  H      -4.307493      3.862477      3.737354
  H      -6.215520      6.790156      1.135750
  H     -13.231318     -1.703761      1.230849
  H     -12.178699     -0.604646      0.314605
  H     -13.305610      0.052379      1.486384
  H     -11.513980      1.550901      1.131892
  H      -9.963952      3.412516      1.660616
  H      -6.531648      1.927702      7.014580
  H      -9.686077     -0.773014      4.283361
  N      -2.542173      1.968274      2.990676
  N      -2.539076      2.080623      1.600193
  H      -3.466054      2.655012      1.206580
  H      -2.508489      1.144633      1.160119
  H      -1.694154      2.603027      1.294518
91
Coordinates from ORCA-job orca E -6725.186158953845
  N      -2.533870      0.113745      5.365293
  Mo     -3.194337      1.946958      4.646479
  N      -4.688877      2.189304      6.099734
  C      -4.252887      2.855633      7.337909
  C      -2.916268      2.312300      7.829803
  N      -1.892574      2.256589      6.752587
  C      -0.990557      1.085385      6.892429
  C      -1.738167     -0.184760      6.544144
  C      -1.092168      3.499407      6.627985
  C      -1.914081      4.614612      5.995443
  N      -2.749592      3.971554      5.003656
  H      -1.023498     -0.995489      6.344781
  H      -2.391503     -0.511804      7.365512
  H      -0.171945      1.227951      6.176631
  H      -0.556077      1.030979      7.905313
  H      -2.532321      5.156313      6.728530
  H      -1.249340      5.358748      5.530722
  H      -0.685237      3.796540      7.608914
  H      -0.248859      3.262455      5.966860
  H      -5.002533      2.704996      8.130946
  H      -4.194864      3.939051      7.159320
  H      -3.066515      1.291824      8.203481
  H      -2.543499      2.922113      8.669292
  C      -6.498982      4.201012     -0.322364
  C      -5.636823      3.221086      0.418753
  O      -4.440018      3.536115      0.685137
  C      -6.177211      1.911758      0.830980
  C      -7.219457      1.283058      0.135856
  C      -7.642216      0.021166      0.515836
  C      -7.051768     -0.615358      1.602235
  F      -7.496995     -1.829422      1.918366
  C      -6.030693     -0.012189      2.348047
  C      -5.403548     -0.680249      3.516246
  O      -5.780901     -1.752816      3.949353
  N      -4.283027     -0.006836      4.056912
  C      -3.496450     -0.666417      4.894864
  C      -5.623893      1.254771      1.933590
  C      -6.841997     10.349780     -1.029892
  C      -6.596226      9.004732     -0.399506
  O      -6.989381      7.977891     -0.936859
  C      -5.856658      8.945198      0.898801
  C      -5.275682     10.070520      1.502545
  C      -4.580040      9.943802      2.699797
  C      -4.458345      8.691217      3.295537
  F      -3.796838      8.626817      4.466419
  C      -5.033250      7.542092      2.734083
  C      -4.978011      6.154011      3.292106
  O      -5.862968      5.341412      2.983253
  N      -3.875998      5.866530      4.110826
  C      -3.664193      4.582052      4.263144
  C      -5.734500      7.709787      1.535588
  C     -12.588377     -0.828690      1.341755
  C     -11.545975     -0.976520      2.444597
  O     -11.435505     -2.036348      3.114524
  C     -10.654879      0.202354      2.703533
  C     -10.716017      1.381822      1.950720
  C      -9.849281      2.429636      2.211301
  C      -8.916621      2.298021      3.212930
  F      -8.095858      3.337310      3.441415
  C      -8.836594      1.154479      3.994956
  C      -7.886171      0.983262      5.123441
  O      -8.218365      0.289933      6.098476
  N      -6.628669      1.551191      4.954647
  C      -6.000436      1.882667      6.044716
  C      -9.730866      0.121636      3.723169
  H      -7.333098      4.492547      0.323223
  H      -5.932123      5.092921     -0.602111
  H      -6.936521      3.759405     -1.218753
  H      -7.687370      1.766145     -0.720279
  H      -8.434287     -0.494174     -0.015288
  H      -3.627113     -1.725241      5.172391
  H      -4.896244      1.770224      2.549119
  H      -7.372702     11.013711     -0.338063
  H      -5.890115     10.837536     -1.276121
  H      -7.431053     10.221970     -1.942963
  H      -5.359800     11.053008      1.040988
  H      -4.130082     10.804162      3.190348
  H      -4.317204      3.856254      3.713261
  H      -6.198592      6.836227      1.084621
  H     -13.169378     -1.773968      1.312302
  H     -12.096386     -0.648973      0.326947
  H     -13.278459      0.059850      1.544518
  H     -11.443419      1.490105      1.156539
  H      -9.897010      3.353721      1.655089
  H      -6.551494      1.951101      6.999303
  H      -9.693181     -0.778187      4.319486
  N      -2.559423      1.938413      2.985358
  N      -2.561902      2.042793      1.595382
  H      -3.474222      2.625455      1.208282
  H      -2.552470      1.108731      1.155405
  H      -1.722700      2.537992      1.282522
91
Coordinates from ORCA-job orca E -6725.185741590501
  N      -2.513389      0.118433      5.370500
  Mo     -3.187457      1.948856      4.651135
  N      -4.681870      2.176776      6.105957
  C      -4.248544      2.844840      7.342856
  C      -2.907230      2.312624      7.830437
  N      -1.884919      2.266602      6.752321
  C      -0.972209      1.102498      6.891663
  C      -1.711546     -0.175655      6.546300
  C      -1.094032      3.517113      6.624950
  C      -1.924120      4.626648      5.993187
  N      -2.756656      3.977708      5.003016
  H      -0.990519     -0.982553      6.344157
  H      -2.361829     -0.509209      7.370358
  H      -0.155530      1.252840      6.174564
  H      -0.534905      1.053004      7.903588
  H      -2.544096      5.164499      6.726462
  H      -1.264822      5.375896      5.527443
  H      -0.687605      3.817945      7.604559
  H      -0.250258      3.285914      5.962814
  H      -4.994935      2.686190      8.136419
  H      -4.199891      3.929931      7.166068
  H      -3.048328      1.289419      8.201583
  H      -2.537943      2.924056      8.669844
  C      -6.505879      4.212338     -0.308236
  C      -5.656649      3.223629      0.421280
  O      -4.469361      3.539042      0.690491
  C      -6.202620      1.909753      0.827742
  C      -7.256654      1.272170      0.134540
  C      -7.675705      0.002172      0.519966
  C      -7.067965     -0.632693      1.609472
  F      -7.509844     -1.854310      1.931630
  C      -6.034920     -0.019351      2.352686
  C      -5.385975     -0.683772      3.523992
  O      -5.745421     -1.764852      3.957861
  N      -4.266840     -0.009165      4.063931
  C      -3.472333     -0.664489      4.900843
  C      -5.636757      1.254489      1.931734
  C      -6.803528     10.365739     -1.039037
  C      -6.578193      9.017363     -0.397232
  O      -6.989330      7.988595     -0.924620
  C      -5.837035      8.957072      0.900195
  C      -5.239316     10.080509      1.494654
  C      -4.543425      9.952879      2.691590
  C      -4.437712      8.700765      3.295472
  F      -3.773487      8.634796      4.464860
  C      -5.028798      7.553953      2.743044
  C      -4.986543      6.167509      3.308490
  O      -5.876584      5.360680      3.009013
  N      -3.884981      5.874508      4.122576
  C      -3.673262      4.587599      4.265518
  C      -5.730790      7.722362      1.545382
  C     -12.606885     -0.878632      1.325004
  C     -11.574956     -0.990685      2.416596
  O     -11.466886     -1.990618      3.063964
  C     -10.684364      0.181071      2.681899
  C     -10.749138      1.388739      1.908353
  C      -9.880416      2.451425      2.178944
  C      -8.940365      2.305206      3.209511
  F      -8.117096      3.357886      3.446605
  C      -8.852612      1.124737      4.017463
  C      -7.897647      0.942546      5.168804
  O      -8.228417      0.220600      6.172038
  N      -6.633750      1.521020      4.980290
  C      -5.994185      1.859928      6.058031
  C      -9.750423      0.082608      3.733176
  H      -7.337882      4.517777      0.337295
  H      -5.922464      5.099104     -0.579553
  H      -6.947819      3.771140     -1.206397
  H      -7.735537      1.752857     -0.722360
  H      -8.476457     -0.520248     -0.008772
  H      -3.595423     -1.720837      5.179586
  H      -4.901085      1.776523      2.542674
  H      -7.323685     11.047162     -0.351177
  H      -5.841892     10.837572     -1.292957
  H      -7.396422     10.238806     -1.950014
  H      -5.310860     11.062460      1.026164
  H      -4.080489     10.811899      3.175232
  H      -4.323538      3.863974      3.710287
  H      -6.207171      6.850048      1.100966
  H     -13.191836     -1.790527      1.282091
  H     -12.135067     -0.715215      0.363027
  H     -13.264237     -0.036667      1.502799
  H     -11.476574      1.499412      1.102431
  H      -9.930449      3.394100      1.612659
  H      -6.536908      1.926976      7.016925
  H      -9.711856     -0.834696      4.340670
  N      -2.555392      1.950476      2.979122
  N      -2.561272      2.058794      1.582761
  H      -3.481281      2.635358      1.195135
  H      -2.544174      1.124474      1.144031
  H      -1.716149      2.568182      1.265786
91
Coordinates from ORCA-job orca E -6725.184653957907
  N      -2.514036      0.123198      5.367108
  Mo     -3.183217      1.951891      4.653371
  N      -4.681074      2.181800      6.106784
  C      -4.248128      2.843983      7.347955
  C      -2.907132      2.309901      7.832891
  N      -1.881574      2.267613      6.753224
  C      -0.968394      1.102186      6.888982
  C      -1.710463     -0.175003      6.542460
  C      -1.087485      3.520913      6.629572
  C      -1.918886      4.631635      6.000755
  N      -2.752125      3.981044      5.008395
  H      -0.987019     -0.983659      6.335783
  H      -2.361439     -0.511285      7.368640
  H      -0.150586      1.252538      6.169987
  H      -0.530641      1.049765      7.900642
  H      -2.542428      5.169363      6.736222
  H      -1.257871      5.383283      5.536670
  H      -0.680563      3.821824      7.611430
  H      -0.240579      3.292053      5.966156
  H      -4.996640      2.682991      8.140523
  H      -4.197277      3.929759      7.176724
  H      -3.052295      1.285017      8.199383
  H      -2.537729      2.917158      8.677574
  C      -6.489073      4.193683     -0.277439
  C      -5.652614      3.201375      0.447759
  O      -4.454762      3.498104      0.730278
  C      -6.211175      1.899380      0.832582
  C      -7.266972      1.263966      0.123985
  C      -7.687339     -0.005348      0.493883
  C      -7.079867     -0.639984      1.583550
  F      -7.521544     -1.863172      1.891452
  C      -6.043322     -0.023150      2.339080
  C      -5.388270     -0.684751      3.519304
  O      -5.760614     -1.796184      3.966306
  N      -4.270051     -0.004422      4.061463
  C      -3.478058     -0.658272      4.896542
  C      -5.649544      1.247309      1.929180
  C      -6.832707     10.333907     -1.034725
  C      -6.603490      8.986126     -0.384565
  O      -7.026063      7.942165     -0.901919
  C      -5.846676      8.942711      0.911218
  C      -5.240447     10.077847      1.493816
  C      -4.532908      9.964336      2.689306
  C      -4.422531      8.715515      3.303409
  F      -3.745514      8.665166      4.470435
  C      -5.021408      7.556700      2.761340
  C      -4.976365      6.173018      3.335434
  O      -5.860462      5.366629      3.045843
  N      -3.872672      5.879538      4.139669
  C      -3.668317      4.592580      4.274056
  C      -5.735356      7.712085      1.566195
  C     -12.615753     -0.877020      1.334926
  C     -11.579108     -0.953496      2.398029
  O     -11.452548     -1.963129      3.044779
  C     -10.689110      0.221418      2.654685
  C     -10.744048      1.372270      1.926534
  C      -9.877427      2.431700      2.187099
  C      -8.933292      2.315266      3.188190
  F      -8.111516      3.352346      3.419809
  C      -8.845539      1.177236      3.963695
  C      -7.877693      0.999747      5.102715
  O      -8.188503      0.312916      6.074797
  N      -6.624089      1.551816      4.948792
  C      -5.993473      1.873903      6.048716
  C      -9.748755      0.144594      3.682707
  H      -7.348023      4.511899      0.383918
  H      -5.883328      5.074191     -0.537974
  H      -6.944458      3.738385     -1.206498
  H      -7.739462      1.745460     -0.729115
  H      -8.486385     -0.527067     -0.045782
  H      -3.605963     -1.714219      5.176117
  H      -4.918559      1.767259      2.545354
  H      -7.348665     11.026666     -0.342843
  H      -5.867142     10.803434     -1.302632
  H      -7.436424     10.197982     -1.941422
  H      -5.316072     11.057407      1.016642
  H      -4.063409     10.832411      3.164421
  H      -4.321394      3.871768      3.715048
  H      -6.218496      6.831861      1.130650
  H     -13.197185     -1.812450      1.307341
  H     -12.126536     -0.706361      0.377150
  H     -13.297630     -0.049473      1.516498
  H     -11.474477      1.464548      1.145860
  H      -9.929273      3.357683      1.638941
  H      -6.545096      1.940895      7.003629
  H      -9.711500     -0.760939      4.276199
  N      -2.553476      1.950344      2.988161
  N      -2.553172      2.055698      1.594212
  H      -3.470293      2.636672      1.205282
  H      -2.537665      1.120220      1.149236
  H      -1.704958      2.559742      1.284575
91
Coordinates from ORCA-job orca E -6725.185076768394
  N      -2.514582      0.114257      5.369655
  Mo     -3.183748      1.941944      4.649335
  N      -4.685228      2.174868      6.097363
  C      -4.256156      2.841204      7.337350
  C      -2.915509      2.308962      7.826272
  N      -1.890232      2.265354      6.747929
  C      -0.975460      1.103504      6.889830
  C      -1.712679     -0.176262      6.546310
  C      -1.101010      3.518810      6.621868
  C      -1.932909      4.624982      5.988142
  N      -2.761357      3.973075      4.994883
  H      -0.988917     -0.981541      6.344462
  H      -2.361917     -0.510227      7.371375
  H      -0.157904      1.253090      6.172055
  H      -0.539958      1.056907      7.902046
  H      -2.557750      5.162283      6.720217
  H      -1.273707      5.376138      5.523471
  H      -0.698147      3.822203      7.602931
  H      -0.253152      3.289503      5.961247
  H      -5.005394      2.681480      8.129473
  H      -4.207345      3.926136      7.162138
  H      -3.058306      1.284789      8.195023
  H      -2.547483      2.918725      8.669213
  C      -6.519288      4.177690     -0.288064
  C      -5.662151      3.200345      0.439040
  O      -4.492064      3.507303      0.696854
  C      -6.192233      1.893871      0.845834
  C      -7.232612      1.263793      0.153854
  C      -7.640406      0.000371      0.529949
  C      -7.036457     -0.634546      1.611237
  F      -7.470003     -1.850846      1.923710
  C      -6.015413     -0.027687      2.354473
  C      -5.375349     -0.692974      3.521702
  O      -5.735184     -1.772588      3.959288
  N      -4.265029     -0.015514      4.061534
  C      -3.474954     -0.670028      4.900823
  C      -5.625184      1.239072      1.941415
  C      -6.813440     10.360045     -1.031600
  C      -6.579584      9.011550     -0.396580
  O      -6.981372      7.981034     -0.930403
  C      -5.841785      8.953321      0.902437
  C      -5.253242     10.079147      1.501556
  C      -4.560628      9.953183      2.699551
  C      -4.448895      8.700826      3.300185
  F      -3.787695      8.637263      4.470887
  C      -5.031727      7.551345      2.743189
  C      -4.986212      6.164743      3.306020
  O      -5.869325      5.358705      3.004463
  N      -3.887092      5.871135      4.118548
  C      -3.676136      4.585523      4.255427
  C      -5.729936      7.718473      1.544577
  C     -12.615018     -0.838599      1.329623
  C     -11.566623     -0.969954      2.418180
  O     -11.442937     -2.043651      3.084222
  C     -10.674178      0.211581      2.683433
  C     -10.750628      1.405739      1.932251
  C      -9.887833      2.456880      2.196719
  C      -8.936724      2.313222      3.205318
  F      -8.118215      3.354069      3.438008
  C      -8.838872      1.153503      3.987201
  C      -7.875681      0.976741      5.112674
  O      -8.179687      0.312097      6.039310
  N      -6.625336      1.542468      4.945765
  C      -5.995466      1.867332      6.040731
  C      -9.731142      0.117753      3.712602
  H      -7.350783      4.470867      0.360582
  H      -5.950594      5.068505     -0.569381
  H      -6.964287      3.728972     -1.183008
  H      -7.709208      1.746114     -0.696438
  H      -8.430611     -0.517861      0.000665
  H      -3.601994     -1.726497      5.180266
  H      -4.896613      1.757583      2.552700
  H      -7.341651     11.032738     -0.341376
  H      -5.856492     10.841160     -1.278992
  H      -7.401558     10.232717     -1.944671
  H      -5.329774     11.061374      1.035603
  H      -4.104646     10.813834      3.186701
  H      -4.326226      3.866130      3.694891
  H      -6.199905      6.845345      1.097151
  H     -13.195903     -1.776037      1.290699
  H     -12.131368     -0.652161      0.338897
  H     -13.301490      0.020565      1.532854
  H     -11.494255      1.526028      1.131642
  H      -9.949596      3.398693      1.641555
  H      -6.545577      1.930159      6.996997
  H      -9.682230     -0.795776      4.309321
  N      -2.550073      1.937025      2.983272
  N      -2.556651      2.041847      1.593253
  H      -3.470745      2.626287      1.215546
  H      -2.549727      1.108487      1.152935
  H      -1.713055      2.538386      1.276906
91
Coordinates from ORCA-job orca E -6725.182005884734
  N      -2.493828      0.115842      5.373212
  Mo     -3.177354      1.940842      4.649088
  N      -4.677318      2.163793      6.099929
  C      -4.248506      2.837027      7.335357
  C      -2.902539      2.316037      7.821006
  N      -1.882695      2.277763      6.741939
  C      -0.958021      1.121063      6.883804
  C      -1.686166     -0.167446      6.547282
  C      -1.104136      3.535352      6.611161
  C      -1.946625      4.634535      5.975398
  N      -2.771844      3.976003      4.984426
  H      -0.957153     -0.968017      6.345924
  H      -2.330499     -0.504776      7.374266
  H      -0.144769      1.275431      6.164709
  H      -0.518222      1.080758      7.895435
  H      -2.573677      5.168311      6.705644
  H      -1.294382      5.388959      5.508819
  H      -0.701415      3.842948      7.589715
  H      -0.257143      3.311170      5.951913
  H      -4.991256      2.672157      8.129757
  H      -4.210012      3.922761      7.157418
  H      -3.035448      1.291477      8.191995
  H      -2.535699      2.929170      8.658867
  C      -6.532823      4.202399     -0.276071
  C      -5.678644      3.214231      0.442467
  O      -4.503122      3.539690      0.704672
  C      -6.212727      1.893677      0.849495
  C      -7.264243      1.247951      0.165814
  C      -7.668083     -0.027582      0.552387
  C      -7.046343     -0.659475      1.633004
  F      -7.473260     -1.885648      1.956677
  C      -6.015956     -0.041650      2.367154
  C      -5.352906     -0.698507      3.534358
  O      -5.691237     -1.757193      3.957286
  N      -4.246453     -0.021925      4.070461
  C      -3.448357     -0.668753      4.907448
  C      -5.633989      1.238159      1.946644
  C      -6.799470     10.357214     -1.032943
  C      -6.584391      9.013258     -0.383003
  O      -7.005123      7.987001     -0.896059
  C      -5.840048      8.957009      0.905549
  C      -5.233100     10.078362      1.485131
  C      -4.534730      9.954095      2.674599
  C      -4.435816      8.706338      3.285038
  F      -3.766890      8.643072      4.445905
  C      -5.036109      7.562166      2.747118
  C      -5.001767      6.178359      3.317001
  O      -5.901053      5.378456      3.025936
  N      -3.896886      5.876086      4.122708
  C      -3.689443      4.587795      4.246351
  C      -5.740645      7.727266      1.557213
  C     -12.630333     -0.807503      1.263200
  C     -11.590652     -0.948803      2.369811
  O     -11.474419     -2.011751      3.041138
  C     -10.686120      0.203561      2.656778
  C     -10.744041      1.404040      1.897237
  C      -9.868184      2.440185      2.194304
  C      -8.927904      2.280945      3.230145
  F      -8.093523      3.316378      3.496822
  C      -8.848312      1.114103      4.016531
  C      -7.895753      0.931597      5.162872
  O      -8.230649      0.191364      6.175297
  N      -6.630356      1.508260      4.977948
  C      -5.989533      1.845711      6.052129
  C      -9.749490      0.092787      3.713283
  H      -7.352724      4.517060      0.371520
  H      -5.946989      5.077319     -0.542287
  H      -6.973045      3.758318     -1.166839
  H      -7.756588      1.726012     -0.685981
  H      -8.469526     -0.557428      0.030115
  H      -3.566590     -1.721321      5.190965
  H      -4.900334      1.764026      2.552616
  H      -7.308801     11.046117     -0.349450
  H      -5.838937     10.820010     -1.296882
  H      -7.394882     10.226861     -1.936107
  H      -5.299302     11.057026      1.010674
  H      -4.063606     10.811915      3.147097
  H      -4.334965      3.868892      3.683505
  H      -6.224305      6.856533      1.122804
  H     -13.219471     -1.711417      1.206319
  H     -12.156700     -0.629017      0.290497
  H     -13.291351      0.043022      1.452273
  H     -11.476176      1.520192      1.086241
  H      -9.908981      3.361031      1.654893
  H      -6.530754      1.913638      7.008453
  H      -9.716221     -0.806638      4.302821
  N      -2.550851      1.939639      2.988296
  N      -2.564916      2.042319      1.600372
  H      -3.492168      2.612195      1.220096
  H      -2.551367      1.103666      1.174598
  H      -1.724457      2.554551      1.273596
91
Coordinates from ORCA-job orca E -6725.185278832094
  N      -2.510023      0.114499      5.375899
  Mo     -3.187973      1.936236      4.650372
  N      -4.691472      2.165188      6.096544
  C      -4.264889      2.836707      7.335554
  C      -2.919885      2.313225      7.822907
  N      -1.895241      2.274107      6.743006
  C      -0.970642      1.117473      6.887459
  C      -1.701421     -0.169580      6.550534
  C      -1.113343      3.532493      6.612627
  C      -1.952180      4.632112      5.975941
  N      -2.777989      3.971839      4.983466
  H      -0.972389     -0.971731      6.347590
  H      -2.346468     -0.506555      7.378477
  H      -0.154539      1.269991      6.167712
  H      -0.531870      1.078501      7.899503
  H      -2.579706      5.168684      6.706852
  H      -1.297298      5.386000      5.509363
  H      -0.711008      3.841560      7.593070
  H      -0.264536      3.305765      5.952772
  H      -5.012356      2.673535      8.128455
  H      -4.222181      3.922291      7.159632
  H      -3.056575      1.288235      8.191192
  H      -2.553356      2.925533      8.665423
  C      -6.519361      4.195566     -0.267162
  C      -5.663664      3.205413      0.457578
  O      -4.456596      3.519793      0.735678
  C      -6.208112      1.890908      0.849037
  C      -7.259035      1.254666      0.148522
  C      -7.669226     -0.017739      0.520100
  C      -7.058292     -0.655973      1.604413
  F      -7.493042     -1.880658      1.913420
  C      -6.028021     -0.042512      2.354250
  C      -5.375766     -0.705657      3.527562
  O      -5.734160     -1.803122      3.966581
  N      -4.264105     -0.023785      4.069449
  C      -3.468521     -0.673598      4.910939
  C      -5.639044      1.232749      1.944567
  C      -6.776281     10.419149     -1.040479
  C      -6.567241      9.064359     -0.399833
  O      -6.999359      8.038720     -0.929854
  C      -5.818702      8.993934      0.900832
  C      -5.199023     10.110702      1.498511
  C      -4.498318      9.973045      2.698580
  C      -4.409236      8.717837      3.301954
  F      -3.738213      8.642379      4.473858
  C      -5.022698      7.577600      2.746460
  C      -4.999748      6.188769      3.311659
  O      -5.908255      5.396393      3.013066
  N      -3.896806      5.876195      4.119529
  C      -3.693068      4.585521      4.244949
  C      -5.729165      7.756366      1.546059
  C     -12.603414     -0.901658      1.354361
  C     -11.556245     -1.016906      2.440081
  O     -11.429642     -1.998191      3.076605
  C     -10.677278      0.161952      2.688128
  C     -10.753827      1.354405      1.929420
  C      -9.900902      2.432660      2.177866
  C      -8.960037      2.308044      3.178807
  F      -8.157246      3.375189      3.390191
  C      -8.855703      1.135540      3.976709
  C      -7.889815      0.952425      5.119422
  O      -8.210417      0.235042      6.115797
  N      -6.631526      1.521643      4.945247
  C      -6.002824      1.851144      6.037239
  C      -9.742240      0.083324      3.710711
  H      -7.363898      4.498345      0.387125
  H      -5.928992      5.083344     -0.533816
  H      -6.966431      3.752732     -1.176788
  H      -7.739032      1.738436     -0.702541
  H      -8.465106     -0.538774     -0.015011
  H      -3.591370     -1.729119      5.196892
  H      -4.906517      1.753429      2.559152
  H      -7.287635     11.110260     -0.346654
  H      -5.804485     10.877440     -1.297450
  H      -7.376926     10.300476     -1.953988
  H      -5.257540     11.094817      1.030738
  H      -4.018578     10.826931      3.184352
  H      -4.341764      3.871105      3.678973
  H      -6.223172      6.889823      1.099775
  H     -13.182548     -1.826264      1.319880
  H     -12.133106     -0.729725      0.372533
  H     -13.277002     -0.049243      1.545024
  H     -11.490726      1.458280      1.138752
  H      -9.971450      3.393109      1.605687
  H      -6.554894      1.916218      6.992596
  H      -9.688305     -0.844017      4.321787
  N      -2.559484      1.932501      2.977868
  N      -2.566149      2.034347      1.577861
  H      -3.485707      2.616890      1.192601
  H      -2.554179      1.094736      1.141133
  H      -1.719089      2.534583      1.255464
91
Coordinates from ORCA-job orca E -6725.186301729887
  N      -2.508099      0.111119      5.377412
  Mo     -3.183258      1.935117      4.651030
  N      -4.680949      2.173228      6.100354
  C      -4.248386      2.846677      7.335333
  C      -2.906347      2.317809      7.820226
  N      -1.888667      2.272894      6.735823
  C      -0.967493      1.117002      6.881198
  C      -1.697346     -0.168773      6.550725
  C      -1.107533      3.530824      6.599494
  C      -1.946554      4.630325      5.964041
  N      -2.773944      3.973111      4.975263
  H      -0.970382     -0.969938      6.349968
  H      -2.339031     -0.502229      7.381058
  H      -0.155685      1.267431      6.158232
  H      -0.526113      1.080168      7.891530
  H      -2.570086      5.167079      6.696291
  H      -1.293479      5.383804      5.494263
  H      -0.703501      3.840067      7.577930
  H      -0.261026      3.302668      5.937273
  H      -4.992640      2.688376      8.132086
  H      -4.203692      3.930900      7.154257
  H      -3.043094      1.294795      8.194177
  H      -2.535143      2.931529      8.657195
  C      -6.503128      4.175119     -0.268005
  C      -5.658481      3.181195      0.462395
  O      -4.480660      3.471719      0.737001
  C      -6.200443      1.874929      0.858591
  C      -7.250185      1.250730      0.164757
  C      -7.668307     -0.014665      0.540555
  C      -7.063739     -0.656986      1.621368
  F      -7.507711     -1.875421      1.933764
  C      -6.032219     -0.052514      2.365700
  C      -5.389073     -0.719814      3.537856
  O      -5.763576     -1.838604      3.989571
  N      -4.265200     -0.027721      4.078368
  C      -3.468624     -0.676937      4.916437
  C      -5.636341      1.214427      1.951628
  C      -6.807091     10.396392     -1.022381
  C      -6.583287      9.044077     -0.390158
  O      -6.997039      8.014813     -0.926806
  C      -5.841295      8.977497      0.907866
  C      -5.241682     10.099066      1.507791
  C      -4.545067      9.965606      2.704590
  C      -4.440662      8.711039      3.303285
  F      -3.775276      8.640271      4.472634
  C      -5.035634      7.565787      2.745996
  C      -4.997327      6.178673      3.307608
  O      -5.887996      5.382126      3.018599
  N      -3.897430      5.875882      4.112721
  C      -3.689075      4.587634      4.237398
  C      -5.736952      7.740259      1.548316
  C     -12.613152     -0.849058      1.305673
  C     -11.583389     -0.954756      2.399899
  O     -11.479255     -1.989830      3.059387
  C     -10.679570      0.212034      2.667732
  C     -10.734600      1.377794      1.917595
  C      -9.857344      2.416785      2.188121
  C      -8.913733      2.284602      3.203518
  F      -8.086681      3.310467      3.441034
  C      -8.836553      1.151440      3.985333
  C      -7.884673      0.980957      5.119454
  O      -8.198727      0.311675      6.050759
  N      -6.626329      1.538510      4.954642
  C      -5.992662      1.867570      6.047980
  C      -9.744808      0.127767      3.702875
  H      -7.338341      4.480517      0.369405
  H      -5.920804      5.063327     -0.538617
  H      -6.939975      3.737401     -1.169348
  H      -7.726600      1.739480     -0.682420
  H      -8.466953     -0.528167      0.012451
  H      -3.593141     -1.733616      5.199917
  H      -4.903176      1.730240      2.563089
  H      -7.327352     11.071866     -0.330663
  H      -5.847173     10.870470     -1.271990
  H      -7.399460     10.275875     -1.934058
  H      -5.312298     11.082758      1.043633
  H      -4.080775     10.822428      3.191255
  H      -4.339174      3.873327      3.672564
  H      -6.214128      6.871051      1.100784
  H     -13.205493     -1.774786      1.260914
  H     -12.136507     -0.685355      0.342068
  H     -13.271448     -0.005392      1.484471
  H     -11.465565      1.483436      1.118585
  H      -9.901628      3.335407      1.634307
  H      -6.540207      1.935314      7.004754
  H      -9.713649     -0.767263      4.300172
  N      -2.553190      1.928435      2.977912
  N      -2.562306      2.031022      1.587310
  H      -3.468039      2.613436      1.215349
  H      -2.563225      1.097815      1.147007
  H      -1.717565      2.524857      1.271646
91
Coordinates from ORCA-job orca E -6725.186868670434
  N      -2.491066      0.118507      5.374654
  Mo     -3.175259      1.937175      4.647746
  N      -4.688884      2.157300      6.086521
  C      -4.271140      2.828495      7.325919
  C      -2.924968      2.314093      7.816304
  N      -1.897470      2.283777      6.739357
  C      -0.964371      1.134086      6.886584
  C      -1.684240     -0.159603      6.549757
  C      -1.124427      3.546935      6.613662
  C      -1.969849      4.639363      5.974580
  N      -2.786011      3.975392      4.975909
  H      -0.948956     -0.957032      6.348411
  H      -2.328897     -0.501141      7.377296
  H      -0.147673      1.292132      6.169588
  H      -0.529144      1.100303      7.899527
  H      -2.605658      5.170039      6.702466
  H      -1.318342      5.398197      5.512087
  H      -0.728984      3.857251      7.595153
  H      -0.270894      3.327809      5.958016
  H      -5.019652      2.658821      8.115288
  H      -4.234512      3.913930      7.151521
  H      -3.056173      1.287812      8.182070
  H      -2.563722      2.926666      8.659599
  C      -6.550781      4.176028     -0.256472
  C      -5.684639      3.195483      0.446045
  O      -4.510618      3.527028      0.707460
  C      -6.211769      1.875206      0.842780
  C      -7.266451      1.223262      0.156461
  C      -7.661478     -0.052915      0.535309
  C      -7.032149     -0.678228      1.613696
  F      -7.451690     -1.905674      1.932383
  C      -6.000272     -0.051067      2.350387
  C      -5.332845     -0.701821      3.518467
  O      -5.664893     -1.771145      3.943201
  N      -4.235538     -0.022969      4.062653
  C      -3.443731     -0.670670      4.904651
  C      -5.625317      1.226349      1.932673
  C      -6.746578     10.392285     -1.030490
  C      -6.542056      9.041451     -0.387093
  O      -6.966692      8.013361     -0.910584
  C      -5.805548      8.978314      0.907849
  C      -5.195404     10.098668      1.496579
  C      -4.505203      9.969539      2.691253
  C      -4.416984      8.718569      3.298204
  F      -3.754950      8.651650      4.464819
  C      -5.021364      7.574693      2.751139
  C      -4.997341      6.189388      3.318831
  O      -5.894501      5.395539      3.027085
  N      -3.900448      5.880548      4.126253
  C      -3.698948      4.592526      4.234712
  C      -5.717415      7.744937      1.556089
  C     -12.641899     -0.874101      1.325301
  C     -11.588097     -0.997686      2.394349
  O     -11.456144     -2.085284      3.051882
  C     -10.700336      0.200576      2.662859
  C     -10.777128      1.401639      1.933993
  C      -9.919807      2.476542      2.207692
  C      -8.963121      2.320933      3.217458
  F      -8.143565      3.383965      3.466024
  C      -8.855832      1.135882      3.989056
  C      -7.880037      0.943089      5.116273
  O      -8.174987      0.237073      6.081763
  N      -6.635097      1.512918      4.942053
  C      -5.999093      1.841017      6.029559
  C      -9.748286      0.090083      3.698138
  H      -7.383941      4.480246      0.418108
  H      -5.962258      5.061125     -0.525717
  H      -7.008000      3.727420     -1.167991
  H      -7.762924      1.698344     -0.691014
  H      -8.461453     -0.587964      0.010682
  H      -3.562673     -1.723735      5.187030
  H      -4.890767      1.754953      2.535178
  H      -7.260167     11.081931     -0.343829
  H      -5.779219     10.853166     -1.285031
  H      -7.336506     10.269287     -1.939613
  H      -5.253801     11.079764      1.024587
  H      -4.032070     10.826069      3.170844
  H      -4.342419      3.882507      3.658571
  H      -6.204378      6.875372      1.114967
  H     -13.215627     -1.823046      1.285629
  H     -12.158706     -0.669359      0.328019
  H     -13.340888     -0.020833      1.547314
  H     -11.516027      1.512437      1.148253
  H      -9.986780      3.428437      1.669055
  H      -6.545820      1.902093      6.986053
  H      -9.691081     -0.840398      4.287598
  N      -2.548531      1.941344      2.984780
  N      -2.560843      2.047965      1.591721
  H      -3.484200      2.631829      1.217100
  H      -2.549695      1.112070      1.155399
  H      -1.717498      2.550094      1.266658
91
Coordinates from ORCA-job orca E -6725.187672393284
  N      -2.496606      0.102941      5.384097
  Mo     -3.179475      1.921180      4.653066
  N      -4.681950      2.154477      6.095896
  C      -4.256348      2.833352      7.331689
  C      -2.910488      2.313740      7.817391
  N      -1.891748      2.274888      6.733686
  C      -0.959111      1.125315      6.883985
  C      -1.681049     -0.168545      6.557114
  C      -1.119567      3.538586      6.595785
  C      -1.966542      4.629820      5.956334
  N      -2.787664      3.963119      4.965493
  H      -0.946958     -0.965306      6.356711
  H      -2.319375     -0.505706      7.388785
  H      -0.147329      1.278566      6.160920
  H      -0.517349      1.096511      7.894891
  H      -2.595630      5.164411      6.685666
  H      -1.318402      5.386933      5.486802
  H      -0.718970      3.853442      7.574378
  H      -0.270978      3.314828      5.936406
  H      -5.000506      2.671120      8.127403
  H      -4.218642      3.918043      7.150035
  H      -3.042273      1.289556      8.189741
  H      -2.542409      2.928978      8.655368
  C      -6.535280      4.163983     -0.249622
  C      -5.671736      3.189391      0.475863
  O      -4.479905      3.513048      0.734881
  C      -6.195858      1.873536      0.879049
  C      -7.239578      1.241936      0.189605
  C      -7.639135     -0.027658      0.562776
  C      -7.025063     -0.668055      1.638047
  F      -7.451818     -1.889139      1.946793
  C      -6.002436     -0.061138      2.380213
  C      -5.355954     -0.726607      3.544333
  O      -5.698030     -1.802921      3.972617
  N      -4.251416     -0.044295      4.082667
  C      -3.452884     -0.690127      4.925461
  C      -5.620188      1.213012      1.970919
  C      -6.799402     10.420057     -1.036481
  C      -6.580868      9.067349     -0.402901
  O      -6.999960      8.048745     -0.939026
  C      -5.836102      8.993256      0.898049
  C      -5.225387     10.106512      1.501212
  C      -4.527540      9.964868      2.700749
  C      -4.433495      8.709033      3.298570
  F      -3.766607      8.629983      4.470879
  C      -5.039421      7.572557      2.738430
  C      -5.014853      6.182948      3.298333
  O      -5.926584      5.393542      3.001400
  N      -3.912259      5.867968      4.106172
  C      -3.703151      4.577886      4.225319
  C      -5.741775      7.755050      1.538195
  C     -12.610992     -0.806989      1.307131
  C     -11.564936     -0.944937      2.402956
  O     -11.436424     -1.955081      3.051929
  C     -10.676344      0.203368      2.667536
  C     -10.757179      1.392347      1.909508
  C      -9.896343      2.430681      2.175941
  C      -8.947845      2.287586      3.182983
  F      -8.136830      3.322652      3.410906
  C      -8.844679      1.127361      3.973305
  C      -7.882872      0.940256      5.117723
  O      -8.212929      0.209829      6.120475
  N      -6.618266      1.512843      4.943560
  C      -5.993103      1.841740      6.035763
  C      -9.734470      0.104515      3.697582
  H      -7.362944      4.451804      0.396938
  H      -5.972022      5.053324     -0.528675
  H      -6.979063      3.717862     -1.139784
  H      -7.724549      1.727752     -0.655240
  H      -8.430268     -0.545299      0.035088
  H      -3.573269     -1.745246      5.214135
  H      -4.891324      1.732922      2.583514
  H      -7.317386     11.100661     -0.342087
  H      -5.833851     10.886878     -1.286168
  H      -7.395554     10.302336     -1.952507
  H      -5.288112     11.091635      1.037753
  H      -4.054101     10.816563      3.190820
  H      -4.347012      3.867781      3.655018
  H      -6.230283      6.891109      1.088043
  H     -13.192665     -1.710979      1.258114
  H     -12.146485     -0.633315      0.333826
  H     -13.273670      0.046125      1.494385
  H     -11.506062      1.519043      1.104571
  H      -9.965113      3.372626      1.616108
  H      -6.545894      1.905252      6.990278
  H      -9.685153     -0.802312      4.296213
  N      -2.552383      1.912401      2.986106
  N      -2.564099      2.010287      1.593220
  H      -3.482522      2.594454      1.219843
  H      -2.563704      1.070232      1.162788
  H      -1.718846      2.503369      1.263364
91
Coordinates from ORCA-job orca E -6725.187207137104
  N      -2.498280      0.114573      5.378009
  Mo     -3.187919      1.930527      4.645661
  N      -4.694826      2.160609      6.088590
  C      -4.270726      2.838630      7.323845
  C      -2.921634      2.324291      7.807979
  N      -1.902781      2.290129      6.721537
  C      -0.965194      1.144351      6.871072
  C      -1.681337     -0.153648      6.548796
  C      -1.135267      3.558367      6.583289
  C      -1.987646      4.646546      5.945182
  N      -2.805897      3.977118      4.954132
  H      -0.945483     -0.948106      6.347085
  H      -2.317091     -0.492657      7.382718
  H      -0.154832      1.301504      6.146805
  H      -0.522821      1.119453      7.881813
  H      -2.619728      5.177938      6.675357
  H      -1.341961      5.407474      5.475316
  H      -0.735920      3.875181      7.561590
  H      -0.284096      3.338900      5.922263
  H      -5.014876      2.672796      8.119676
  H      -4.235732      3.923941      7.143095
  H      -3.048029      1.298830      8.180360
  H      -2.554951      2.941781      8.645445
  C      -6.527618      4.193878     -0.244410
  C      -5.674827      3.188330      0.468556
  O      -4.485273      3.489933      0.741643
  C      -6.219567      1.870354      0.860023
  C      -7.283749      1.236529      0.173741
  C      -7.698117     -0.039092      0.552026
  C      -7.076024     -0.682644      1.629231
  F      -7.515331     -1.909610      1.944878
  C      -6.032696     -0.070313      2.366198
  C      -5.371403     -0.734308      3.534439
  O      -5.736384     -1.855529      3.983140
  N      -4.251818     -0.035818      4.077807
  C      -3.453280     -0.680151      4.919019
  C      -5.640237      1.205737      1.948072
  C      -6.697285     10.486206     -1.030294
  C      -6.514425      9.125348     -0.399907
  O      -6.949881      8.108116     -0.940518
  C      -5.786568      9.036260      0.902198
  C      -5.163383     10.141719      1.508334
  C      -4.480179      9.989094      2.709376
  C      -4.412693      8.730692      3.305078
  F      -3.758036      8.640897      4.477556
  C      -5.032104      7.601442      2.741931
  C      -5.029490      6.210983      3.302049
  O      -5.942896      5.431348      3.004873
  N      -3.929922      5.884211      4.106200
  C      -3.722336      4.591844      4.215157
  C      -5.719851      7.794835      1.539921
  C     -12.622346     -0.956145      1.335373
  C     -11.594051     -1.050370      2.421135
  O     -11.497043     -2.049954      3.059233
  C     -10.693473      0.142008      2.684378
  C     -10.740634      1.337924      1.929729
  C      -9.861335      2.402514      2.203266
  C      -8.927685      2.269774      3.218265
  F      -8.092294      3.314817      3.467383
  C      -8.860214      1.112156      3.998307
  C      -7.906466      0.927804      5.135709
  O      -8.230173      0.233314      6.086109
  N      -6.643333      1.509925      4.953775
  C      -6.006694      1.845291      6.035166
  C      -9.768437      0.063864      3.714372
  H      -7.361686      4.507791      0.411592
  H      -5.929975      5.081685     -0.510222
  H      -6.976324      3.762853     -1.151692
  H      -7.775036      1.725280     -0.670281
  H      -8.507433     -0.559206      0.029440
  H      -3.570615     -1.736560      5.204113
  H      -4.893464      1.722426      2.551997
  H      -7.207926     11.173385     -0.342162
  H      -5.720867     10.937291     -1.271369
  H      -7.284251     10.382670     -1.946046
  H      -5.204648     11.127779      1.046438
  H      -3.997808     10.833640      3.200666
  H      -4.367347      3.881465      3.641043
  H      -6.215069      6.937463      1.087253
  H     -13.213611     -1.890469      1.294623
  H     -12.136582     -0.785608      0.371566
  H     -13.286848     -0.116704      1.520781
  H     -11.463141      1.437942      1.133504
  H      -9.892675      3.321166      1.664461
  H      -6.552733      1.907515      6.993349
  H      -9.745028     -0.840951      4.305618
  N      -2.562533      1.928458      2.962575
  N      -2.575858      2.029627      1.565521
  H      -3.487764      2.603281      1.190986
  H      -2.571481      1.092556      1.128936
  H      -1.728311      2.531889      1.246280
91
Coordinates from ORCA-job orca E -6725.186723419321
  N      -2.484337      0.110458      5.387932
  Mo     -3.169597      1.924156      4.654376
  N      -4.681924      2.154583      6.091092
  C      -4.262510      2.832991      7.327245
  C      -2.915392      2.320703      7.814659
  N      -1.894065      2.287739      6.732092
  C      -0.955329      1.143437      6.884679
  C      -1.668930     -0.156014      6.560941
  C      -1.127293      3.553888      6.597507
  C      -1.978959      4.639657      5.954920
  N      -2.793165      3.969550      4.958766
  H      -0.929706     -0.949162      6.361248
  H      -2.305946     -0.496367      7.393610
  H      -0.143291      1.299047      6.162707
  H      -0.515471      1.119973      7.896020
  H      -2.614638      5.171125      6.682196
  H      -1.332487      5.399636      5.488075
  H      -0.731092      3.869410      7.576978
  H      -0.275333      3.334228      5.941299
  H      -5.007867      2.665874      8.120208
  H      -4.228822      3.917666      7.147321
  H      -3.043917      1.295313      8.183777
  H      -2.550585      2.935217      8.653951
  C      -6.539456      4.151043     -0.234009
  C      -5.677530      3.159539      0.475370
  O      -4.501445      3.466653      0.753486
  C      -6.206870      1.844832      0.858266
  C      -7.256967      1.203569      0.164790
  C      -7.653226     -0.071541      0.537558
  C      -7.030106     -0.703672      1.616574
  F      -7.450939     -1.931173      1.930566
  C      -6.001382     -0.081119      2.359872
  C      -5.336929     -0.733643      3.535776
  O      -5.681200     -1.840266      3.971527
  N      -4.231192     -0.040675      4.082896
  C      -3.437251     -0.682074      4.925976
  C      -5.627392      1.192925      1.945462
  C      -6.786498     10.398949     -1.018099
  C      -6.570913      9.047464     -0.378626
  O      -6.997255      8.015373     -0.904714
  C      -5.823110      8.984708      0.914837
  C      -5.210949     10.106375      1.504375
  C      -4.512279      9.975750      2.697937
  C      -4.417270      8.722989      3.303130
  F      -3.748074      8.655297      4.469267
  C      -5.023351      7.577914      2.754661
  C      -4.995820      6.192173      3.319377
  O      -5.894109      5.405077      3.039065
  N      -3.900149      5.878173      4.121136
  C      -3.704711      4.588959      4.217434
  C      -5.727524      7.749827      1.561244
  C     -12.647387     -0.800662      1.299323
  C     -11.581069     -0.951479      2.380509
  O     -11.444440     -2.031429      3.038876
  C     -10.687998      0.217245      2.651775
  C     -10.767763      1.390941      1.928680
  C      -9.910832      2.456509      2.194937
  C      -8.951430      2.310567      3.195660
  F      -8.142675      3.369282      3.428938
  C      -8.839135      1.146853      3.965879
  C      -7.868984      0.966617      5.087267
  O      -8.162250      0.289908      6.022451
  N      -6.623318      1.517121      4.931821
  C      -5.993425      1.843767      6.031130
  C      -9.733683      0.111777      3.680513
  H      -7.379523      4.447409      0.426430
  H      -5.956127      5.035686     -0.494246
  H      -6.983935      3.715592     -1.149630
  H      -7.747258      1.685456     -0.680583
  H      -8.448938     -0.600527      0.008530
  H      -3.556261     -1.734423      5.214153
  H      -4.899322      1.719865      2.552242
  H      -7.297962     11.084434     -0.325818
  H      -5.824048     10.864819     -1.277470
  H      -7.382869     10.275844     -1.925414
  H      -5.275396     11.088982      1.034287
  H      -4.038488     10.832665      3.178076
  H      -4.346921      3.885266      3.637362
  H      -6.216818      6.880457      1.120451
  H     -13.220882     -1.725948      1.257649
  H     -12.193754     -0.609041      0.304277
  H     -13.327458      0.054461      1.514163
  H     -11.508279      1.501356      1.147254
  H      -9.991161      3.417554      1.640204
  H      -6.544203      1.909170      6.984440
  H      -9.672848     -0.813219      4.276132
  N      -2.550010      1.922719      2.995161
  N      -2.565345      2.025294      1.602954
  H      -3.481387      2.616347      1.231237
  H      -2.567019      1.088041      1.168264
  H      -1.720442      2.516593      1.272502
91
Coordinates from ORCA-job orca E -6725.186602900652
  N      -2.486178      0.105705      5.383023
  Mo     -3.175380      1.920402      4.654068
  N      -4.685405      2.142696      6.091221
  C      -4.266282      2.816123      7.328254
  C      -2.918144      2.304576      7.810021
  N      -1.899168      2.279562      6.725298
  C      -0.955943      1.140072      6.876303
  C      -1.666672     -0.159817      6.552170
  C      -1.137886      3.550706      6.590565
  C      -1.991039      4.635061      5.955220
  N      -2.803712      3.966878      4.959558
  H      -0.927833     -0.950028      6.349067
  H      -2.299490     -0.502479      7.386692
  H      -0.145567      1.302142      6.153162
  H      -0.515690      1.118170      7.886514
  H      -2.624932      5.160201      6.684692
  H      -1.348288      5.399764      5.489963
  H      -0.742918      3.865867      7.569611
  H      -0.286038      3.337547      5.931882
  H      -5.010545      2.644664      8.121429
  H      -4.233504      3.900773      7.152291
  H      -3.042689      1.277908      8.176758
  H      -2.552957      2.918057      8.649694
  C      -6.568486      4.150209     -0.246217
  C      -5.694547      3.192516      0.467854
  O      -4.513453      3.537723      0.706912
  C      -6.204298      1.871811      0.881646
  C      -7.252883      1.232325      0.204978
  C      -7.643462     -0.036421      0.581122
  C      -7.016441     -0.670694      1.648432
  F      -7.436208     -1.891356      1.959693
  C      -5.989612     -0.059155      2.380033
  C      -5.336986     -0.721553      3.534934
  O      -5.664755     -1.778184      3.953380
  N      -4.241239     -0.042111      4.076152
  C      -3.442110     -0.691030      4.921201
  C      -5.612967      1.214716      1.966951
  C      -6.735449     10.433724     -1.051049
  C      -6.531771      9.078697     -0.415312
  O      -6.947595      8.062451     -0.955850
  C      -5.806168      9.001631      0.893486
  C      -5.199129     10.113297      1.500477
  C      -4.517812      9.971890      2.706475
  C      -4.436745      8.717280      3.307674
  F      -3.785357      8.638148      4.486943
  C      -5.040766      7.582142      2.745093
  C      -5.026674      6.194988      3.311672
  O      -5.936952      5.407676      3.014683
  N      -3.929009      5.876664      4.118122
  C      -3.718143      4.586861      4.220048
  C      -5.726188      7.763969      1.537382
  C     -12.620488     -0.855568      1.307922
  C     -11.591288     -0.966692      2.390669
  O     -11.470846     -2.034418      3.046714
  C     -10.696462      0.213926      2.665679
  C     -10.779453      1.423691      1.921383
  C      -9.910659      2.459218      2.202925
  C      -8.952228      2.296288      3.213313
  F      -8.127623      3.321688      3.459300
  C      -8.850847      1.126955      3.985692
  C      -7.876873      0.918820      5.125018
  O      -8.183772      0.182487      6.113080
  N      -6.624230      1.506276      4.941978
  C      -5.993520      1.828295      6.032482
  C      -9.746997      0.100988      3.697981
  H      -7.386875      4.437595      0.413997
  H      -6.008519      5.045038     -0.538389
  H      -7.024341      3.691689     -1.129651
  H      -7.750661      1.713711     -0.634289
  H      -8.439638     -0.558516      0.062434
  H      -3.561157     -1.748214      5.204024
  H      -4.874170      1.735240      2.568965
  H      -7.261711     11.116709     -0.363346
  H      -5.764905     10.896076     -1.286238
  H      -7.318217     10.319547     -1.974914
  H      -5.251484     11.097271      1.033986
  H      -4.046822     10.822517      3.199426
  H      -4.358586      3.883204      3.635896
  H      -6.211447      6.900667      1.083678
  H     -13.212587     -1.800009      1.242254
  H     -12.121994     -0.656088      0.338776
  H     -13.292910     -0.014114      1.510638
  H     -11.532907      1.559471      1.120068
  H      -9.975426      3.407633      1.658919
  H      -6.541457      1.880485      6.992218
  H      -9.696662     -0.822731      4.288873
  N      -2.545832      1.920045      2.976035
  N      -2.563003      2.024492      1.581818
  H      -3.480129      2.610446      1.223109
  H      -2.566244      1.090431      1.145637
  H      -1.721163      2.511091      1.254674
91
Coordinates from ORCA-job orca E -6725.189868042515
  N      -2.478538      0.103800      5.382945
  Mo     -3.175860      1.917009      4.646747
  N      -4.690333      2.146544      6.080303
  C      -4.274092      2.829913      7.317087
  C      -2.922924      2.323166      7.802924
  N      -1.903393      2.295433      6.716522
  C      -0.951911      1.158474      6.872150
  C      -1.655023     -0.151832      6.553665
  C      -1.147692      3.572821      6.579145
  C      -2.011782      4.651448      5.936337
  N      -2.819955      3.972073      4.940040
  H      -0.906675     -0.938740      6.352150
  H      -2.286884     -0.498410      7.388863
  H      -0.142209      1.319558      6.147705
  H      -0.508879      1.143877      7.883794
  H      -2.653223      5.178720      6.663985
  H      -1.372394      5.419250      5.469361
  H      -0.753886      3.895498      7.559181
  H      -0.292253      3.359256      5.921483
  H      -5.017984      2.659931      8.111918
  H      -4.247440      3.915639      7.135418
  H      -3.044486      1.296437      8.173022
  H      -2.559433      2.941655      8.641678
  C      -6.556142      4.151765     -0.216429
  C      -5.685826      3.162204      0.485469
  O      -4.507938      3.485279      0.744066
  C      -6.211993      1.837988      0.878635
  C      -7.274810      1.195740      0.199182
  C      -7.673263     -0.083511      0.577087
  C      -7.037132     -0.721812      1.646576
  F      -7.463202     -1.950806      1.962704
  C      -5.996322     -0.102134      2.378021
  C      -5.324305     -0.759201      3.541211
  O      -5.651560     -1.856288      3.976203
  N      -4.226369     -0.059476      4.082758
  C      -3.425462     -0.695024      4.926791
  C      -5.620963      1.177750      1.962081
  C      -6.705327     10.486412     -1.019662
  C      -6.517797      9.127395     -0.393636
  O      -6.949615      8.112762     -0.933431
  C      -5.789821      9.038819      0.905717
  C      -5.168769     10.142419      1.512896
  C      -4.488075      9.988290      2.712104
  C      -4.421320      8.729939      3.304634
  F      -3.769838      8.639006      4.476076
  C      -5.038576      7.603074      2.739535
  C      -5.040556      6.211982      3.294425
  O      -5.958628      5.437999      2.997860
  N      -3.943763      5.878794      4.099878
  C      -3.735296      4.586158      4.197160
  C      -5.723131      7.797945      1.539935
  C     -12.641024     -0.846431      1.324891
  C     -11.575520     -1.001383      2.412649
  O     -11.446312     -1.993720      3.051161
  C     -10.687554      0.159854      2.668865
  C     -10.760947      1.349691      1.916687
  C      -9.901881      2.411069      2.177940
  C      -8.957130      2.277855      3.180642
  F      -8.147165      3.335891      3.410879
  C      -8.856940      1.109303      3.968560
  C      -7.896810      0.929773      5.100721
  O      -8.221963      0.210028      6.078051
  N      -6.631825      1.502579      4.929108
  C      -6.002579      1.832129      6.017359
  C      -9.748877      0.071892      3.692852
  H      -7.387098      4.445561      0.451705
  H      -5.979231      5.044555     -0.486004
  H      -7.008276      3.713558     -1.119500
  H      -7.776615      1.680845     -0.638794
  H      -8.481134     -0.610321      0.059316
  H      -3.537300     -1.747960      5.216148
  H      -4.882184      1.700512      2.564860
  H      -7.217133     11.169434     -0.330519
  H      -5.731756     10.942210     -1.260394
  H      -7.292089     10.381186     -1.933479
  H      -5.210746     11.129104      1.053309
  H      -4.007479     10.831846      3.205351
  H      -4.369065      3.879669      3.613677
  H      -6.218713      6.942108      1.085914
  H     -13.214243     -1.746520      1.292843
  H     -12.198870     -0.674221      0.335803
  H     -13.310951      0.019593      1.527078
  H     -11.493335      1.449827      1.130134
  H      -9.956744      3.330443      1.640636
  H      -6.553985      1.894294      6.970458
  H      -9.709718     -0.821817      4.278258
  N      -2.550080      1.916753      2.977372
  N      -2.562355      2.016242      1.589134
  H      -3.485405      2.588745      1.213321
  H      -2.558047      1.073593      1.162874
  H      -1.713472      2.525652      1.262973
91
Coordinates from ORCA-job orca E -6725.188894807186
  N      -2.491254      0.103291      5.397216
  Mo     -3.178745      1.910021      4.655645
  N      -4.686610      2.150275      6.093675
  C      -4.262245      2.835260      7.325366
  C      -2.911559      2.326622      7.805098
  N      -1.900185      2.291650      6.713402
  C      -0.955664      1.152421      6.869713
  C      -1.664372     -0.151635      6.564736
  C      -1.140137      3.560188      6.566200
  C      -1.998664      4.639094      5.923358
  N      -2.812947      3.962858      4.933081
  H      -0.924522     -0.940614      6.364959
  H      -2.289183     -0.488521      7.405085
  H      -0.151242      1.305784      6.140035
  H      -0.508647      1.140410      7.878030
  H      -2.631701      5.170308      6.651479
  H      -1.358878      5.400395      5.449794
  H      -0.740699      3.881061      7.541967
  H      -0.291795      3.340976      5.906449
  H      -5.002225      2.669356      8.124188
  H      -4.231905      3.919752      7.140254
  H      -3.034532      1.301869      8.178880
  H      -2.540737      2.944279      8.638512
  C      -6.540009      4.168776     -0.218301
  C      -5.679275      3.161385      0.500484
  O      -4.474930      3.453808      0.786834
  C      -6.211883      1.847516      0.882087
  C      -7.259591      1.220278      0.189541
  C      -7.660097     -0.054270      0.558857
  C      -7.044562     -0.700277      1.635441
  F      -7.468872     -1.927360      1.944244
  C      -6.018255     -0.090551      2.379511
  C      -5.362205     -0.752123      3.554914
  O      -5.729947     -1.884442      3.997871
  N      -4.244266     -0.051177      4.101616
  C      -3.449481     -0.693290      4.944560
  C      -5.636128      1.183608      1.966286
  C      -6.750880     10.476706     -1.024694
  C      -6.551086      9.118604     -0.391298
  O      -6.992467      8.097324     -0.925946
  C      -5.801687      9.035438      0.906024
  C      -5.171160     10.143811      1.505562
  C      -4.472562      9.994342      2.703679
  C      -4.396530      8.736163      3.303074
  F      -3.728131      8.649840      4.473880
  C      -5.021277      7.604342      2.745090
  C      -5.016367      6.213917      3.305234
  O      -5.940156      5.443553      3.022060
  N      -3.917790      5.877457      4.103917
  C      -3.725759      4.584036      4.192376
  C      -5.724344      7.794961      1.546840
  C     -12.619035     -0.898571      1.299150
  C     -11.588728     -0.989583      2.373291
  O     -11.472927     -2.033454      3.015919
  C     -10.693486      0.188128      2.651161
  C     -10.755163      1.374115      1.919656
  C      -9.884833      2.436628      2.200248
  C      -8.938406      2.288968      3.212287
  F      -8.117962      3.339273      3.463809
  C      -8.849849      1.127166      3.979615
  C      -7.888666      0.941161      5.111349
  O      -8.202618      0.248718      6.060651
  N      -6.631541      1.508135      4.945666
  C      -6.000201      1.840339      6.037080
  C      -9.754050      0.088802      3.685162
  H      -7.377696      4.473103      0.433726
  H      -5.950832      5.047751     -0.479286
  H      -6.983484      3.746667     -1.132063
  H      -7.746336      1.712027     -0.652991
  H      -8.453029     -0.571381      0.029889
  H      -3.570272     -1.747989      5.236141
  H      -4.903180      1.702028      2.573915
  H      -7.255039     11.164304     -0.327807
  H      -5.780847     10.931575     -1.281137
  H      -7.350918     10.367419     -1.936131
  H      -5.220854     11.130166      1.041080
  H      -3.985353     10.841012      3.190933
  H      -4.368864      3.884115      3.611072
  H      -6.227768      6.936052      1.099296
  H     -13.201435     -1.839361      1.248772
  H     -12.130545     -0.710583      0.343004
  H     -13.295783     -0.076469      1.491178
  H     -11.492136      1.494318      1.120230
  H      -9.947684      3.399691      1.645492
  H      -6.548149      1.904592      6.993140
  H      -9.707774     -0.844556      4.285579
  N      -2.569132      1.899695      2.990143
  N      -2.592222      1.996316      1.588840
  H      -3.499542      2.588059      1.219743
  H      -2.605403      1.057876      1.152064
  H      -1.745712      2.474680      1.250377
91
Coordinates from ORCA-job orca E -6725.189604370781
  N      -2.464410      0.109433      5.390485
  Mo     -3.166826      1.919056      4.658961
  N      -4.685321      2.133879      6.090622
  C      -4.272344      2.808126      7.327663
  C      -2.918988      2.307947      7.806460
  N      -1.899132      2.295702      6.720015
  C      -0.939867      1.168730      6.873096
  C      -1.634795     -0.143910      6.554656
  C      -1.151402      3.577397      6.586087
  C      -2.017175      4.651424      5.950079
  N      -2.821038      3.974713      4.950224
  H      -0.884428     -0.924765      6.347283
  H      -2.260468     -0.496307      7.393625
  H      -0.130871      1.338865      6.148728
  H      -0.497804      1.158037      7.882366
  H      -2.658143      5.169984      6.678559
  H      -1.381484      5.424261      5.487325
  H      -0.760228      3.897081      7.565187
  H      -0.296002      3.372853      5.928236
  H      -5.015386      2.627964      8.119457
  H      -4.248921      3.892860      7.155056
  H      -3.035765      1.278395      8.166744
  H      -2.557112      2.920527      8.649143
  C      -6.576941      4.116109     -0.228604
  C      -5.714968      3.157351      0.474782
  O      -4.550577      3.501216      0.726080
  C      -6.232990      1.831204      0.874922
  C      -7.298899      1.177142      0.199783
  C      -7.685964     -0.099130      0.579937
  C      -7.035322     -0.724509      1.648404
  F      -7.451390     -1.953853      1.967193
  C      -5.992430     -0.095462      2.376138
  C      -5.314736     -0.748643      3.535757
  O      -5.624321     -1.838973      3.960278
  N      -4.223154     -0.054805      4.083647
  C      -3.414781     -0.692087      4.931905
  C      -5.628237      1.182930      1.958482
  C      -6.688173     10.464646     -1.048900
  C      -6.494250      9.104585     -0.415076
  O      -6.905703      8.084528     -0.964847
  C      -5.784429      9.024053      0.901441
  C      -5.181166     10.135893      1.517407
  C      -4.513067      9.991332      2.730132
  C      -4.440990      8.734109      3.329307
  F      -3.801741      8.651357      4.515160
  C      -5.042736      7.598849      2.758296
  C      -5.036091      6.211377      3.323617
  O      -5.944790      5.430411      3.027898
  N      -3.943814      5.886302      4.127555
  C      -3.734859      4.595843      4.210851
  C      -5.715434      7.783511      1.544039
  C     -12.657656     -0.820746      1.299659
  C     -11.598696     -0.977539      2.393841
  O     -11.482750     -2.041990      3.050441
  C     -10.697196      0.200123      2.663736
  C     -10.778763      1.394452      1.925736
  C      -9.905720      2.435446      2.202938
  C      -8.943695      2.283001      3.206402
  F      -8.110819      3.298246      3.454026
  C      -8.843173      1.128915      3.972325
  C      -7.870700      0.930182      5.105408
  O      -8.160721      0.232474      6.043739
  N      -6.624345      1.501138      4.933655
  C      -5.992051      1.820776      6.029951
  C      -9.744233      0.097321      3.689527
  H      -7.404274      4.403705      0.424416
  H      -6.005545      5.017402     -0.505497
  H      -7.023233      3.651999     -1.117788
  H      -7.810759      1.652547     -0.638161
  H      -8.495634     -0.634853      0.065030
  H      -3.526577     -1.746430      5.219683
  H      -4.883818      1.715472      2.555123
  H      -7.223270     11.147488     -0.365467
  H      -5.713939     10.927179     -1.269970
  H      -7.258343     10.354343     -1.980058
  H      -5.226017     11.121510      1.052606
  H      -4.045565     10.841093      3.229535
  H      -4.367198      3.897565      3.613210
  H      -6.197772      6.920923      1.083912
  H     -13.247333     -1.768852      1.249015
  H     -12.195415     -0.629279      0.286894
  H     -13.320002      0.050886      1.518969
  H     -11.528798      1.519760      1.133275
  H      -9.970501      3.375186      1.661135
  H      -6.541142      1.875023      6.988458
  H      -9.692533     -0.822771      4.283697
  N      -2.539836      1.929852      2.965407
  N      -2.558230      2.039131      1.566300
  H      -3.479093      2.621657      1.207887
  H      -2.556655      1.104358      1.132431
  H      -1.713732      2.534169      1.240035
91
Coordinates from ORCA-job orca E -6725.189831094038
  N      -2.481339      0.094972      5.384663
  Mo     -3.174032      1.905956      4.645966
  N      -4.692433      2.140837      6.075285
  C      -4.277680      2.824791      7.311840
  C      -2.927132      2.317642      7.794028
  N      -1.911531      2.291557      6.703819
  C      -0.956363      1.159213      6.862977
  C      -1.653433     -0.153331      6.552339
  C      -1.160834      3.569724      6.564631
  C      -2.026488      4.643546      5.922069
  N      -2.829432      3.964663      4.923389
  H      -0.903040     -0.934907      6.350293
  H      -2.278247     -0.500357      7.390459
  H      -0.149672      1.319616      6.135939
  H      -0.512506      1.151723      7.873630
  H      -2.669557      5.167557      6.649172
  H      -1.389967      5.413395      5.456296
  H      -0.769331      3.892732      7.544267
  H      -0.305262      3.358842      5.907252
  H      -5.020060      2.653333      8.108273
  H      -4.252949      3.910231      7.129934
  H      -3.048149      1.290487      8.162715
  H      -2.560428      2.933546      8.631633
  C      -6.584591      4.134831     -0.206616
  C      -5.686544      3.157983      0.493620
  O      -4.508889      3.496297      0.734859
  C      -6.192625      1.834642      0.897832
  C      -7.243008      1.199311      0.225581
  C      -7.632781     -0.074491      0.599101
  C      -7.004175     -0.714994      1.659081
  F      -7.424080     -1.937446      1.970247
  C      -5.976645     -0.104550      2.386942
  C      -5.319868     -0.765380      3.540457
  O      -5.642584     -1.837607      3.954862
  N      -4.226280     -0.068909      4.085535
  C      -3.429129     -0.706873      4.930796
  C      -5.603130      1.171896      1.976204
  C      -6.700089     10.490623     -1.015454
  C      -6.508204      9.132925     -0.394878
  O      -6.934047      8.123535     -0.937113
  C      -5.782541      9.041908      0.903236
  C      -5.166831     10.142959      1.511568
  C      -4.490032      9.987775      2.709478
  C      -4.422302      8.730110      3.299907
  F      -3.775460      8.638228      4.471228
  C      -5.034127      7.605545      2.733642
  C      -5.036749      6.215566      3.287368
  O      -5.951550      5.443856      2.993544
  N      -3.944831      5.879071      4.092233
  C      -3.741050      4.585775      4.177964
  C      -5.714379      7.801304      1.535108
  C     -12.626810     -0.857414      1.324512
  C     -11.569984     -0.996515      2.401149
  O     -11.431546     -2.039424      3.048021
  C     -10.687888      0.180471      2.664170
  C     -10.776394      1.384667      1.919896
  C      -9.931240      2.453267      2.180936
  C      -8.981014      2.311112      3.179301
  F      -8.186653      3.384697      3.408865
  C      -8.860550      1.119377      3.965438
  C      -7.890249      0.928978      5.095622
  O      -8.203229      0.198285      6.079479
  N      -6.632887      1.506722      4.920096
  C      -6.004857      1.831556      6.009504
  C      -9.743416      0.081822      3.686771
  H      -7.407200      4.416082      0.483772
  H      -6.025897      5.029434     -0.493169
  H      -7.053307      3.693268     -1.106402
  H      -7.743313      1.686937     -0.607124
  H      -8.430692     -0.594960      0.084276
  H      -3.544536     -1.761842      5.220766
  H      -4.872596      1.689832      2.580187
  H      -7.214145     11.166964     -0.325258
  H      -5.730906     10.950811     -1.252326
  H      -7.284000     10.386539     -1.929739
  H      -5.210571     11.129803      1.053230
  H      -4.013323     10.829976      3.204428
  H      -4.372893      3.887085      3.585169
  H      -6.207713      6.947113      1.079712
  H     -13.202848     -1.761107      1.271337
  H     -12.170332     -0.667942      0.357162
  H     -13.299704     -0.015589      1.529143
  H     -11.511651      1.486666      1.141368
  H     -10.001958      3.389541      1.646083
  H      -6.556345      1.889948      6.962714
  H      -9.693820     -0.817740      4.264719
  N      -2.549615      1.900566      2.990062
  N      -2.566729      1.998787      1.611242
  H      -3.486826      2.580821      1.248326
  H      -2.577005      1.059244      1.182868
  H      -1.724570      2.490907      1.283597
91
Coordinates from ORCA-job orca E -6725.186803924293
  N      -2.468586      0.100732      5.401958
  Mo     -3.173915      1.903019      4.660443
  N      -4.684409      2.130058      6.093773
  C      -4.265598      2.817937      7.326704
  C      -2.907399      2.322549      7.800441
  N      -1.898981      2.302728      6.703903
  C      -0.935225      1.175896      6.860641
  C      -1.628531     -0.142252      6.563339
  C      -1.155310      3.585152      6.555163
  C      -2.031334      4.653278      5.914609
  N      -2.837425      3.966076      4.922795
  H      -0.876782     -0.922526      6.358340
  H      -2.243796     -0.488706      7.409198
  H      -0.134552      1.338600      6.127695
  H      -0.484162      1.175303      7.867789
  H      -2.671607      5.176655      6.643976
  H      -1.402042      5.425220      5.441497
  H      -0.757781      3.911635      7.530610
  H      -0.304192      3.376809      5.893296
  H      -5.001907      2.642120      8.126839
  H      -4.247866      3.904127      7.143622
  H      -3.017980      1.293788      8.169726
  H      -2.539510      2.941966      8.635223
  C      -6.579612      4.148844     -0.198821
  C      -5.713531      3.152354      0.515355
  O      -4.517262      3.462485      0.791192
  C      -6.229396      1.828886      0.901691
  C      -7.286281      1.189559      0.220281
  C      -7.671722     -0.092186      0.594360
  C      -7.031197     -0.734152      1.664583
  F      -7.442348     -1.967405      1.976820
  C      -5.996336     -0.113260      2.399080
  C      -5.317998     -0.769679      3.567408
  O      -5.641997     -1.891677      4.004960
  N      -4.221094     -0.064908      4.111372
  C      -3.420216     -0.700379      4.954583
  C      -5.630353      1.168209      1.981590
  C      -6.691358     10.511870     -1.035883
  C      -6.515132      9.150426     -0.399895
  O      -6.963342      8.133791     -0.934271
  C      -5.779655      9.059993      0.901389
  C      -5.139643     10.160727      1.502663
  C      -4.454477     10.003337      2.704591
  C      -4.401562      8.744746      3.304919
  F      -3.744898      8.650294      4.478714
  C      -5.036806      7.621037      2.745112
  C      -5.054502      6.230117      3.306678
  O      -5.992720      5.472336      3.025056
  N      -3.956346      5.880687      4.104290
  C      -3.753754      4.585594      4.183597
  C      -5.726170      7.819656      1.543842
  C     -12.634167     -0.870872      1.276556
  C     -11.599860     -0.971907      2.349942
  O     -11.486267     -1.958793      2.965792
  C     -10.705228      0.187923      2.633100
  C     -10.763670      1.362948      1.913394
  C      -9.890693      2.409671      2.202800
  C      -8.940227      2.256618      3.215389
  F      -8.119702      3.305990      3.469290
  C      -8.853992      1.096547      3.976294
  C      -7.894098      0.903302      5.111406
  O      -8.220427      0.172727      6.082245
  N      -6.627184      1.481499      4.945047
  C      -5.998450      1.811850      6.034211
  C      -9.760936      0.075844      3.671116
  H      -7.410305      4.437899      0.448967
  H      -6.009200      5.038550     -0.463006
  H      -7.016736      3.719674     -1.097776
  H      -7.791882      1.677283     -0.616231
  H      -8.471881     -0.618054      0.074157
  H      -3.530998     -1.752499      5.246272
  H      -4.888720      1.693328      2.580145
  H      -7.194306     11.206554     -0.345606
  H      -5.712146     10.955939     -1.284264
  H      -7.282916     10.408725     -1.950513
  H      -5.171230     11.147192      1.036695
  H      -3.959851     10.844249      3.193676
  H      -4.386576      3.888052      3.593603
  H      -6.237211      6.967204      1.094861
  H     -13.204838     -1.812203      1.235660
  H     -12.148360     -0.678881      0.302956
  H     -13.322988     -0.027324      1.481285
  H     -11.506065      1.490301      1.112975
  H      -9.953860      3.364114      1.659411
  H      -6.547592      1.870064      6.990373
  H      -9.716871     -0.854553      4.264696
  N      -2.573425      1.901526      2.985515
  N      -2.604354      2.000485      1.583102
  H      -3.522425      2.586253      1.221135
  H      -2.615595      1.060174      1.149389
  H      -1.751765      2.489537      1.236208
91
Coordinates from ORCA-job orca E -6725.188313807561
  N      -2.478464      0.106535      5.403471
  Mo     -3.174557      1.905632      4.657423
  N      -4.694324      2.139147      6.084882
  C      -4.280664      2.822848      7.317844
  C      -2.926871      2.324643      7.797475
  N      -1.913256      2.303321      6.706743
  C      -0.952985      1.179066      6.869220
  C      -1.644774     -0.135536      6.567304
  C      -1.167752      3.580820      6.562893
  C      -2.035403      4.648518      5.918693
  N      -2.836749      3.965213      4.919990
  H      -0.895094     -0.914218      6.364467
  H      -2.262429     -0.480362      7.410809
  H      -0.148635      1.340870      6.140789
  H      -0.508049      1.180008      7.877798
  H      -2.676839      5.170567      6.644439
  H      -1.402592      5.418436      5.451000
  H      -0.775856      3.905442      7.540478
  H      -0.315097      3.372082      5.906498
  H      -5.021755      2.647856      8.112422
  H      -4.257761      3.906048      7.137761
  H      -3.043521      1.298744      8.164185
  H      -2.560148      2.939799      8.634961
  C      -6.557611      4.125670     -0.211375
  C      -5.695114      3.143042      0.493000
  O      -4.507329      3.468976      0.770717
  C      -6.225602      1.817153      0.871899
  C      -7.288122      1.169596      0.183773
  C      -7.686649     -0.110046      0.557766
  C      -7.053531     -0.743774      1.634479
  F      -7.479882     -1.975820      1.950048
  C      -6.012450     -0.118538      2.372703
  C      -5.345870     -0.772412      3.547456
  O      -5.709029     -1.904818      3.984294
  N      -4.235547     -0.064310      4.101442
  C      -3.431094     -0.698801      4.952136
  C      -5.635801      1.161797      1.956896
  C      -6.687677     10.535040     -1.032056
  C      -6.498494      9.168704     -0.409104
  O      -6.930338      8.154273     -0.966708
  C      -5.772018      9.071657      0.906568
  C      -5.148438     10.174014      1.533082
  C      -4.468680     10.012944      2.746383
  C      -4.405056      8.749324      3.335396
  F      -3.755657      8.650761      4.522671
  C      -5.025801      7.623472      2.752943
  C      -5.033217      6.229752      3.306877
  O      -5.967103      5.464167      3.006723
  N      -3.937721      5.882614      4.106448
  C      -3.746046      4.589592      4.176524
  C      -5.709550      7.824691      1.538303
  C     -12.633727     -0.878007      1.340124
  C     -11.577066     -1.018968      2.423552
  O     -11.454037     -2.080049      3.086243
  C     -10.681132      0.156610      2.681025
  C     -10.762194      1.368251      1.925533
  C      -9.888281      2.422554      2.193153
  C      -8.936495      2.275093      3.192042
  F      -8.104489      3.297412      3.434938
  C      -8.843681      1.118745      3.962669
  C      -7.883511      0.934814      5.085929
  O      -8.197726      0.249486      6.028966
  N      -6.630483      1.502378      4.922447
  C      -6.003170      1.831122      6.019845
  C      -9.741007      0.066686      3.695977
  H      -7.399961      4.423621      0.442237
  H      -5.964707      5.015821     -0.467536
  H      -7.002304      3.681037     -1.123296
  H      -7.788680      1.651694     -0.657161
  H      -8.492892     -0.641010      0.033777
  H      -3.547616     -1.753584      5.248318
  H      -4.897565      1.692184      2.562028
  H      -7.210111     11.218913     -0.335086
  H      -5.707749     10.989431     -1.260520
  H      -7.272036     10.436367     -1.962305
  H      -5.187656     11.164230      1.077627
  H      -3.986829     10.854902      3.253675
  H      -4.378803      3.898732      3.577007
  H      -6.207751      6.969559      1.070146
  H     -13.222707     -1.796292      1.293297
  H     -12.177166     -0.701119      0.359059
  H     -13.287324     -0.034355      1.537330
  H     -11.508435      1.496430      1.127731
  H      -9.947120      3.362503      1.647543
  H      -6.556782      1.894034      6.974166
  H      -9.693630     -0.858689      4.297918
  N      -2.554458      1.902100      2.968766
  N      -2.570712      2.000837      1.561094
  H      -3.482077      2.587529      1.190259
  H      -2.576431      1.060811      1.129276
  H      -1.724093      2.482389      1.228481
91
Coordinates from ORCA-job orca E -6725.191288856995
  N      -2.459426      0.093497      5.393925
  Mo     -3.164964      1.902206      4.654896
  N      -4.685638      2.125707      6.083691
  C      -4.273905      2.809347      7.319756
  C      -2.917357      2.313266      7.794346
  N      -1.904272      2.299455      6.698767
  C      -0.934891      1.177200      6.857472
  C      -1.620284     -0.145568      6.555014
  C      -1.165289      3.588558      6.557563
  C      -2.043194      4.654035      5.919126
  N      -2.841187      3.969062      4.919513
  H      -0.861503     -0.920257      6.348301
  H      -2.236633     -0.499685      7.399489
  H      -0.131503      1.345548      6.126146
  H      -0.487251      1.179245      7.865660
  H      -2.689834      5.171111      6.647391
  H      -1.414257      5.432151      5.453577
  H      -0.774405      3.915252      7.535865
  H      -0.308181      3.386388      5.897521
  H      -5.012997      2.628789      8.117222
  H      -4.258395      3.895703      7.141252
  H      -3.028683      1.282473      8.158920
  H      -2.551492      2.930164      8.632490
  C      -6.614575      4.108461     -0.183238
  C      -5.724472      3.134815      0.514076
  O      -4.550753      3.465021      0.754626
  C      -6.220272      1.812842      0.917074
  C      -7.269543      1.173487      0.248493
  C      -7.640676     -0.101466      0.620532
  C      -6.993907     -0.738369      1.676487
  F      -7.394634     -1.964723      1.985949
  C      -5.968084     -0.120522      2.401415
  C      -5.291862     -0.777137      3.552115
  O      -5.579970     -1.860664      3.968968
  N      -4.209510     -0.077183      4.096691
  C      -3.406841     -0.712957      4.941232
  C      -5.615961      1.155951      1.990766
  C      -6.671265     10.494329     -1.029801
  C      -6.487158      9.134564     -0.403767
  O      -6.912362      8.121148     -0.947507
  C      -5.771150      9.044766      0.899911
  C      -5.155875     10.147269      1.507077
  C      -4.487814      9.994317      2.710242
  C      -4.427972      8.737262      3.307204
  F      -3.788638      8.646934      4.483418
  C      -5.039724      7.611032      2.742493
  C      -5.047478      6.223656      3.303058
  O      -5.956894      5.456064      3.017135
  N      -3.960305      5.885694      4.104151
  C      -3.754118      4.593155      4.176412
  C      -5.711746      7.804551      1.538823
  C     -12.661414     -0.836342      1.277048
  C     -11.600165     -0.970667      2.347813
  O     -11.461832     -2.042985      2.987257
  C     -10.707533      0.206881      2.631888
  C     -10.795311      1.402075      1.915945
  C      -9.940126      2.465570      2.198885
  C      -8.975678      2.312074      3.200683
  F      -8.169552      3.369661      3.453416
  C      -8.852784      1.125569      3.962767
  C      -7.869488      0.919762      5.096707
  O      -8.148645      0.206139      6.040005
  N      -6.626211      1.495230      4.925787
  C      -5.995891      1.813778      6.020553
  C      -9.748445      0.097002      3.659700
  H      -7.431535      4.388387      0.496658
  H      -6.060820      5.005767     -0.473092
  H      -7.077904      3.663171     -1.075077
  H      -7.780167      1.658755     -0.581013
  H      -8.435274     -0.626872      0.108142
  H      -3.516924     -1.767222      5.229984
  H      -4.884694      1.680028      2.590083
  H      -7.189497     11.174330     -0.343936
  H      -5.700930     10.952347     -1.260303
  H      -7.247421     10.390363     -1.948901
  H      -5.193237     11.133266      1.043288
  H      -4.011791     10.837151      3.204113
  H      -4.382793      3.898749      3.573596
  H      -6.204807      6.950222      1.084867
  H     -13.238209     -1.783734      1.220182
  H     -12.194426     -0.626022      0.286828
  H     -13.347840      0.010034      1.505730
  H     -11.539047      1.513160      1.137360
  H     -10.016996      3.414040      1.672441
  H      -6.544834      1.866594      6.976974
  H      -9.694335     -0.810296      4.228550
  N      -2.547749      1.906068      2.987749
  N      -2.575287      2.010203      1.602631
  H      -3.497616      2.593100      1.249581
  H      -2.587955      1.072442      1.173147
  H      -1.731337      2.504682      1.267127
91
Coordinates from ORCA-job orca E -6725.189842781671
  N      -2.474349      0.103825      5.396403
  Mo     -3.173610      1.902900      4.654799
  N      -4.692521      2.131375      6.079261
  C      -4.280715      2.814375      7.314478
  C      -2.924134      2.318200      7.789284
  N      -1.916306      2.303330      6.694092
  C      -0.950143      1.183114      6.855831
  C      -1.636527     -0.135518      6.557067
  C      -1.178907      3.585657      6.550395
  C      -2.055708      4.649814      5.909504
  N      -2.851880      3.965665      4.910296
  H      -0.883453     -0.910271      6.351537
  H      -2.249636     -0.483996      7.401836
  H      -0.149857      1.346771      6.125258
  H      -0.503443      1.186708      7.863985
  H      -2.700363      5.166375      6.637141
  H      -1.429099      5.425377      5.442673
  H      -0.787023      3.909123      7.526796
  H      -0.326885      3.382242      5.890528
  H      -5.017992      2.634354      8.111987
  H      -4.265833      3.899153      7.134635
  H      -3.034652      1.289901      8.154365
  H      -2.557208      2.932005      8.626183
  C      -6.593687      4.122406     -0.215380
  C      -5.705321      3.155768      0.479953
  O      -4.543321      3.513863      0.729086
  C      -6.210058      1.815490      0.876899
  C      -7.275311      1.156941      0.207734
  C      -7.666135     -0.126779      0.592928
  C      -7.024397     -0.753767      1.661828
  F      -7.446260     -1.984731      1.986286
  C      -5.981830     -0.122463      2.384529
  C      -5.316694     -0.769123      3.548358
  O      -5.658988     -1.848338      3.972650
  N      -4.222456     -0.061786      4.099313
  C      -3.421008     -0.697796      4.948931
  C      -5.605304      1.161237      1.959076
  C      -6.640834     10.535157     -1.019618
  C      -6.468670      9.173409     -0.397541
  O      -6.895640      8.168426     -0.944468
  C      -5.758986      9.074436      0.908148
  C      -5.137835     10.169153      1.523889
  C      -4.473702     10.005546      2.727210
  C      -4.423995      8.745926      3.315367
  F      -3.788834      8.645251      4.492313
  C      -5.042828      7.628171      2.742774
  C      -5.063981      6.237325      3.297538
  O      -5.997773      5.478856      3.009516
  N      -3.969323      5.886704      4.095430
  C      -3.763533      4.591044      4.167660
  C      -5.710803      7.831921      1.538956
  C     -12.615867     -0.858565      1.327613
  C     -11.573468     -0.995408      2.408569
  O     -11.454404     -2.016718      3.050959
  C     -10.684049      0.172786      2.670881
  C     -10.755086      1.361590      1.933624
  C      -9.894724      2.406152      2.201422
  C      -8.947875      2.256290      3.199785
  F      -8.137106      3.309591      3.428026
  C      -8.854996      1.094386      3.971557
  C      -7.901411      0.907739      5.096468
  O      -8.244083      0.168550      6.085995
  N      -6.631430      1.489157      4.927020
  C      -6.004535      1.818972      6.013470
  C      -9.745320      0.065292      3.695276
  H      -7.418372      4.389541      0.456053
  H      -6.040874      5.031017     -0.485108
  H      -7.039381      3.676211     -1.108445
  H      -7.788754      1.634694     -0.627791
  H      -8.477436     -0.665169      0.082912
  H      -3.533952     -1.751825      5.239184
  H      -4.858881      1.692193      2.551589
  H      -7.159252     11.215940     -0.336005
  H      -5.662063     10.986165     -1.242916
  H      -7.213017     10.438097     -1.941536
  H      -5.166583     11.157188      1.067080
  H      -3.992478     10.842399      3.227950
  H      -4.388657      3.902137      3.566235
  H      -6.208156      6.982931      1.077602
  H     -13.195341     -1.760196      1.277222
  H     -12.150364     -0.675402      0.366424
  H     -13.283309     -0.012144      1.523788
  H     -11.494319      1.483740      1.146394
  H      -9.965580      3.361561      1.651238
  H      -6.556836      1.876618      6.966393
  H      -9.691758     -0.873266      4.302051
  N      -2.566007      1.903494      2.974974
  N      -2.593405      2.003953      1.587566
  H      -3.506245      2.595102      1.241034
  H      -2.613616      1.072272      1.149294
  H      -1.748855      2.478608      1.255553
91
Coordinates from ORCA-job orca E -6725.190886351686
  N      -2.467135      0.094074      5.412465
  Mo     -3.171607      1.887703      4.663260
  N      -4.688429      2.122303      6.091512
  C      -4.272990      2.812785      7.322953
  C      -2.913512      2.324284      7.793939
  N      -1.908251      2.306632      6.694136
  C      -0.935795      1.188177      6.856930
  C      -1.619801     -0.136876      6.571091
  C      -1.171792      3.591753      6.542691
  C      -2.053975      4.650381      5.900890
  N      -2.852791      3.956924      4.903937
  H      -0.862293     -0.910459      6.365561
  H      -2.226194     -0.484313      7.421989
  H      -0.137744      1.350930      6.120533
  H      -0.482520      1.200425      7.862303
  H      -2.698545      5.169375      6.628693
  H      -1.429628      5.426309      5.429439
  H      -0.776188      3.921810      7.518143
  H      -0.320260      3.387807      5.882162
  H      -5.008160      2.633637      8.122771
  H      -4.258600      3.897643      7.140807
  H      -3.021508      1.296475      8.162248
  H      -2.542861      2.943272      8.627870
  C      -6.595490      4.120384     -0.161946
  C      -5.717601      3.132096      0.540717
  O      -4.509872      3.450108      0.819183
  C      -6.229809      1.812523      0.917081
  C      -7.275659      1.176074      0.227662
  C      -7.654698     -0.101579      0.588946
  C      -7.021298     -0.743193      1.656486
  F      -7.427406     -1.974132      1.957003
  C      -5.997698     -0.125364      2.399246
  C      -5.324878     -0.783194      3.567748
  O      -5.655871     -1.914458      3.994704
  N      -4.224459     -0.077785      4.119419
  C      -3.419359     -0.711574      4.966307
  C      -5.637409      1.153423      1.993286
  C      -6.694650     10.537467     -1.049005
  C      -6.518743      9.171832     -0.410875
  O      -6.978026      8.153568     -0.950875
  C      -5.773367      9.079206      0.898855
  C      -5.121963     10.179772      1.507994
  C      -4.429350     10.019764      2.718183
  C      -4.379850      8.758736      3.319559
  F      -3.716234      8.661837      4.502478
  C      -5.025895      7.634911      2.752011
  C      -5.049786      6.241730      3.312749
  O      -6.004455      5.492420      3.029553
  N      -3.952033      5.878770      4.105417
  C      -3.763679      4.583159      4.161757
  C      -5.722681      7.836396      1.542574
  C     -12.633601     -0.866350      1.278608
  C     -11.580841     -1.002447      2.359973
  O     -11.456433     -2.020105      2.980567
  C     -10.691478      0.169347      2.642949
  C     -10.776304      1.389487      1.909282
  C      -9.908569      2.441649      2.201089
  C      -8.951164      2.280061      3.207094
  F      -8.126177      3.307923      3.476345
  C      -8.849400      1.104785      3.962854
  C      -7.881332      0.906678      5.093397
  O      -8.194695      0.187621      6.054003
  N      -6.624860      1.483316      4.930012
  C      -6.000225      1.811038      6.026889
  C      -9.745272      0.062957      3.667391
  H      -7.435400      4.422174      0.502745
  H      -6.008828      5.000184     -0.423007
  H      -7.049264      3.680374     -1.076184
  H      -7.775292      1.663746     -0.606796
  H      -8.444426     -0.625042      0.061320
  H      -3.532358     -1.763790      5.263755
  H      -4.907443      1.678290      2.599388
  H      -7.197436     11.240523     -0.349120
  H      -5.709019     10.975900     -1.300444
  H      -7.294146     10.435370     -1.971446
  H      -5.151032     11.167894      1.042395
  H      -3.926630     10.860676      3.213013
  H      -4.393613      3.896234      3.557077
  H      -6.243095      6.983924      1.087813
  H     -13.209814     -1.795267      1.221724
  H     -12.171027     -0.668746      0.295943
  H     -13.302626     -0.023992      1.492927
  H     -11.522298      1.520117      1.113551
  H      -9.969053      3.373994      1.684043
  H      -6.553110      1.871222      6.982261
  H      -9.701256     -0.850932      4.239326
  N      -2.570923      1.883354      2.989793
  N      -2.598806      1.979300      1.580658
  H      -3.518915      2.570461      1.209461
  H      -2.609066      1.030712      1.155224
  H      -1.747572      2.461813      1.228691
91
Coordinates from ORCA-job orca E -6725.191243212216
  N      -2.454042      0.095945      5.407566
  Mo     -3.165219      1.899222      4.655650
  N      -4.689503      2.125008      6.081532
  C      -4.280315      2.813233      7.314950
  C      -2.918063      2.326287      7.785762
  N      -1.908290      2.315490      6.684767
  C      -0.928084      1.201831      6.850977
  C      -1.605398     -0.128933      6.563621
  C      -1.178799      3.610375      6.534454
  C      -2.064837      4.667236      5.893145
  N      -2.858970      3.973542      4.894576
  H      -0.844002     -0.899749      6.357475
  H      -2.212238     -0.480476      7.415556
  H      -0.128512      1.370539      6.115616
  H      -0.477627      1.218916      7.858747
  H      -2.713298      5.182206      6.620685
  H      -1.442798      5.448578      5.423970
  H      -0.787442      3.943967      7.511038
  H      -0.322633      3.410411      5.872644
  H      -5.017196      2.629710      8.113734
  H      -4.270584      3.898823      7.134727
  H      -3.021953      1.296151      8.152147
  H      -2.550752      2.946677      8.621250
  C      -6.607429      4.083552     -0.193277
  C      -5.722239      3.102792      0.507870
  O      -4.541652      3.433658      0.764968
  C      -6.230891      1.770178      0.904508
  C      -7.297400      1.122534      0.238129
  C      -7.681098     -0.160067      0.621547
  C      -7.025654     -0.796394      1.685640
  F      -7.439134     -2.030282      2.010106
  C      -5.981750     -0.169502      2.405503
  C      -5.300994     -0.818632      3.569267
  O      -5.609323     -1.937952      4.011556
  N      -4.210664     -0.096341      4.113506
  C      -3.403834     -0.721416      4.962317
  C      -5.622053      1.112736      1.982309
  C      -6.607264     10.585909     -1.014978
  C      -6.419582      9.219222     -0.415988
  O      -6.816288      8.221495     -0.998241
  C      -5.736458      9.101296      0.906053
  C      -5.143080     10.191087      1.554113
  C      -4.501052     10.014496      2.772493
  C      -4.447175      8.747684      3.345071
  F      -3.836543      8.632591      4.537799
  C      -5.041434      7.634074      2.742203
  C      -5.058450      6.240138      3.283804
  O      -5.974470      5.478617      2.975243
  N      -3.974121      5.888738      4.086966
  C      -3.771353      4.596416      4.149718
  C      -5.685763      7.849812      1.521575
  C     -12.664856     -0.874682      1.312997
  C     -11.608251     -0.987441      2.379149
  O     -11.473747     -2.052631      3.031252
  C     -10.711310      0.186042      2.647082
  C     -10.790959      1.365606      1.922598
  C      -9.929238      2.438881      2.186189
  C      -8.969832      2.301518      3.179302
  F      -8.159272      3.359559      3.410489
  C      -8.852613      1.123875      3.955126
  C      -7.872614      0.922375      5.091181
  O      -8.153911      0.230117      6.024604
  N      -6.630357      1.492253      4.921903
  C      -5.998796      1.813161      6.017017
  C      -9.756561      0.091579      3.665699
  H      -7.430225      4.348182      0.471136
  H      -6.052630      4.994514     -0.474579
  H      -7.056973      3.651088     -1.086007
  H      -7.815336      1.607546     -0.594631
  H      -8.491764     -0.691389      0.114306
  H      -3.513220     -1.777253      5.257690
  H      -4.879740      1.641787      2.577605
  H      -7.152084     11.237698     -0.331001
  H      -5.639611     11.058229     -1.202193
  H      -7.157768     10.501244     -1.954814
  H      -5.175193     11.183958      1.110694
  H      -4.042414     10.846408      3.295960
  H      -4.397459      3.903925      3.541119
  H      -6.162283      7.004737      1.037218
  H     -13.245670     -1.823661      1.268618
  H     -12.194783     -0.680204      0.326578
  H     -13.343552     -0.036555      1.525922
  H     -11.538910      1.478365      1.139063
  H     -10.010238      3.401804      1.634486
  H      -6.548762      1.869779      6.972807
  H      -9.703572     -0.812860      4.247514
  N      -2.551331      1.898813      2.967089
  N      -2.580126      1.997899      1.571234
  H      -3.494457      2.574654      1.212656
  H      -2.596854      1.058765      1.145686
  H      -1.730619      2.489290      1.233992
91
Coordinates from ORCA-job orca E -6725.191557197732
  N      -2.466020      0.094945      5.390198
  Mo     -3.172617      1.897274      4.654854
  N      -4.695565      2.120543      6.079343
  C      -4.286059      2.801666      7.316490
  C      -2.927857      2.307995      7.784162
  N      -1.922367      2.302597      6.683385
  C      -0.945092      1.190010      6.841343
  C      -1.618837     -0.137399      6.545071
  C      -1.194978      3.594845      6.543297
  C      -2.082653      4.653031      5.909806
  N      -2.871523      3.967846      4.905420
  H      -0.854576     -0.902722      6.332645
  H      -2.225057     -0.497637      7.392901
  H      -0.147451      1.361466      6.106764
  H      -0.495340      1.198583      7.846777
  H      -2.733376      5.160006      6.639816
  H      -1.461838      5.438824      5.448447
  H      -0.805338      3.919067      7.520133
  H      -0.339582      3.401229      5.881111
  H      -5.020946      2.613875      8.115795
  H      -4.277975      3.887751      7.141071
  H      -3.034597      1.276037      8.144513
  H      -2.559802      2.919840      8.622103
  C      -6.628535      4.113061     -0.158041
  C      -5.734520      3.143395      0.525684
  O      -4.570904      3.484844      0.765189
  C      -6.222594      1.813919      0.918919
  C      -7.273591      1.166511      0.250809
  C      -7.640501     -0.113222      0.620017
  C      -6.989184     -0.746812      1.671957
  F      -7.386819     -1.976146      1.978938
  C      -5.963075     -0.122893      2.396449
  C      -5.286149     -0.776962      3.544673
  O      -5.578304     -1.856215      3.950681
  N      -4.209716     -0.072286      4.097313
  C      -3.406330     -0.708213      4.942646
  C      -5.613631      1.157717      1.989247
  C      -6.635591     10.515678     -1.035691
  C      -6.489881      9.153269     -0.393445
  O      -6.960095      8.135901     -0.912164
  C      -5.757557      9.065714      0.899551
  C      -5.103007     10.163542      1.482859
  C      -4.425908     10.010618      2.678665
  C      -4.394510      8.757739      3.290251
  F      -3.743290      8.668207      4.458049
  C      -5.042433      7.636265      2.746979
  C      -5.077410      6.251885      3.320661
  O      -6.011542      5.502265      3.056494
  N      -3.985982      5.896065      4.109762
  C      -3.781714      4.600183      4.163650
  C      -5.724680      7.830453      1.552283
  C     -12.638496     -0.837144      1.281192
  C     -11.578913     -0.999175      2.356543
  O     -11.448751     -2.063811      2.988566
  C     -10.687858      0.177612      2.640659
  C     -10.769375      1.386729      1.925169
  C      -9.905237      2.429170      2.224627
  C      -8.947906      2.260406      3.227789
  F      -8.134619      3.307571      3.492139
  C      -8.848704      1.092599      3.966844
  C      -7.890382      0.903329      5.080826
  O      -8.208265      0.172462      6.025825
  N      -6.632893      1.490160      4.917642
  C      -6.006682      1.811249      6.012018
  C      -9.738449      0.055472      3.669152
  H      -7.447381      4.392898      0.531066
  H      -6.075031      5.010867     -0.434724
  H      -7.091823      3.661264     -1.055306
  H      -7.789355      1.649274     -0.574536
  H      -8.436985     -0.645028      0.108796
  H      -3.514207     -1.761856      5.230394
  H      -4.882961      1.684886      2.587895
  H      -7.123226     11.227462     -0.350262
  H      -5.648697     10.941385     -1.291626
  H      -7.228610     10.413866     -1.941347
  H      -5.118631     11.146346      1.007285
  H      -3.920259     10.850515      3.155477
  H      -4.401725      3.918642      3.548810
  H      -6.247514      6.980293      1.115694
  H     -13.217540     -1.757797      1.217196
  H     -12.179660     -0.628180      0.303261
  H     -13.315917      0.013644      1.507461
  H     -11.511566      1.516120      1.140186
  H      -9.972754      3.378372      1.708142
  H      -6.559252      1.861844      6.965769
  H      -9.677795     -0.900928      4.263312
  N      -2.560889      1.905789      2.989633
  N      -2.591759      2.012257      1.613527
  H      -3.510975      2.602444      1.273476
  H      -2.614466      1.079305      1.178076
  H      -1.753188      2.493934      1.282624
91
Coordinates from ORCA-job orca E -6725.191927852511
  N      -2.453881      0.090548      5.422214
  Mo     -3.161525      1.880971      4.666749
  N      -4.682310      2.111251      6.087315
  C      -4.272758      2.801977      7.319579
  C      -2.909379      2.322735      7.788697
  N      -1.907750      2.311735      6.687117
  C      -0.925745      1.202311      6.855570
  C      -1.600428     -0.129389      6.577931
  C      -1.182407      3.601587      6.534493
  C      -2.072773      4.652629      5.891208
  N      -2.863896      3.955187      4.891244
  H      -0.839471     -0.897750      6.373935
  H      -2.199662     -0.476954      7.431968
  H      -0.131539      1.367379      6.118407
  H      -0.471369      1.225407      7.860571
  H      -2.721118      5.166188      6.617964
  H      -1.455530      5.433316      5.421521
  H      -0.789372      3.933791      7.509556
  H      -0.331541      3.402545      5.874539
  H      -5.005532      2.616232      8.118642
  H      -4.267061      3.886799      7.138974
  H      -3.008738      1.294605      8.155561
  H      -2.540147      2.942666      8.621260
  C      -6.633146      4.078903     -0.192095
  C      -5.736689      3.117876      0.506335
  O      -4.555639      3.476088      0.759892
  C      -6.230926      1.784701      0.902579
  C      -7.290541      1.127854      0.231518
  C      -7.666591     -0.153170      0.611450
  C      -7.019394     -0.779920      1.680355
  F      -7.425806     -2.011624      1.999183
  C      -5.982988     -0.147541      2.407050
  C      -5.308282     -0.794227      3.575111
  O      -5.639566     -1.892862      3.994683
  N      -4.210067     -0.088427      4.127586
  C      -3.402008     -0.719933      4.978153
  C      -5.619802      1.135474      1.982611
  C      -6.636588     10.575061     -1.036463
  C      -6.448439      9.208353     -0.422614
  O      -6.859843      8.206646     -0.993811
  C      -5.745979      9.098898      0.902882
  C      -5.133745     10.190905      1.547683
  C      -4.477319     10.016822      2.769291
  C      -4.426404      8.750052      3.347251
  F      -3.800215      8.638387      4.543358
  C      -5.036607      7.634869      2.745724
  C      -5.059419      6.237859      3.287224
  O      -6.005110      5.486648      2.985977
  N      -3.969680      5.875342      4.090252
  C      -3.773642      4.580343      4.144856
  C      -5.696375      7.849154      1.524067
  C     -12.617950     -0.855495      1.300123
  C     -11.573743     -0.979348      2.376816
  O     -11.443572     -1.996025      3.004332
  C     -10.690099      0.189832      2.650651
  C     -10.781861      1.397116      1.915203
  C      -9.932718      2.454050      2.184923
  C      -8.974395      2.298747      3.182589
  F      -8.165127      3.342498      3.429319
  C      -8.856410      1.115483      3.954068
  C      -7.880084      0.908667      5.091058
  O      -8.196148      0.168485      6.087588
  N      -6.619786      1.478985      4.923408
  C      -5.993985      1.800771      6.018045
  C      -9.744670      0.088818      3.666646
  H      -7.463315      4.349201      0.473650
  H      -6.080790      4.978432     -0.464581
  H      -7.077881      3.632232     -1.086751
  H      -7.806531      1.604418     -0.602834
  H      -8.468707     -0.690067      0.097701
  H      -3.512794     -1.771143      5.275118
  H      -4.878149      1.671409      2.576546
  H      -7.175708     11.244928     -0.344538
  H      -5.657588     11.038182     -1.240906
  H      -7.200747     10.482880     -1.978362
  H      -5.164114     11.184196      1.099810
  H      -4.004039     10.851212      3.292062
  H      -4.395553      3.896090      3.533701
  H      -6.188163      7.002225      1.040955
  H     -13.189266     -1.777160      1.245365
  H     -12.148900     -0.656283      0.330467
  H     -13.293106     -0.020107      1.508312
  H     -11.525938      1.516432      1.132800
  H     -10.011965      3.399992      1.652976
  H      -6.547163      1.860154      6.972133
  H      -9.696351     -0.810772      4.236503
  N      -2.568852      1.880293      2.984644
  N      -2.601326      1.978548      1.576211
  H      -3.528500      2.570406      1.213723
  H      -2.615650      1.033329      1.150762
  H      -1.749211      2.458494      1.221769
91
Coordinates from ORCA-job orca E -6725.193674459694
  N      -2.458372      0.089166      5.409497
  Mo     -3.174632      1.888640      4.655100
  N      -4.693291      2.124562      6.087743
  C      -4.276045      2.816895      7.316514
  C      -2.911977      2.329826      7.775174
  N      -1.913372      2.320282      6.663924
  C      -0.925196      1.213421      6.826948
  C      -1.593110     -0.124168      6.555880
  C      -1.191648      3.618376      6.504233
  C      -2.087355      4.668132      5.867850
  N      -2.880016      3.969744      4.871946
  H      -0.825239     -0.886298      6.341777
  H      -2.184015     -0.480292      7.417147
  H      -0.133758      1.383171      6.083033
  H      -0.466541      1.240007      7.830531
  H      -2.735289      5.178677      6.598684
  H      -1.473200      5.454015      5.395282
  H      -0.796141      3.955023      7.477521
  H      -0.338650      3.422924      5.837195
  H      -5.005363      2.632896      8.122357
  H      -4.269020      3.901958      7.133833
  H      -3.013372      1.299737      8.142409
  H      -2.536524      2.949348      8.606434
  C      -6.594291      4.090827     -0.131457
  C      -5.717587      3.100600      0.563434
  O      -4.518888      3.424426      0.824540
  C      -6.237200      1.771971      0.950160
  C      -7.293223      1.136895      0.276374
  C      -7.674086     -0.146505      0.642585
  C      -7.024231     -0.796497      1.695449
  F      -7.432373     -2.031963      2.001438
  C      -5.989866     -0.180832      2.423039
  C      -5.307155     -0.840336      3.579987
  O      -5.611110     -1.981679      4.011804
  N      -4.220515     -0.112244      4.130031
  C      -3.409383     -0.731476      4.976353
  C      -5.639515      1.103886      2.019181
  C      -6.624533     10.596419     -1.023086
  C      -6.453139      9.230439     -0.411147
  O      -6.884576      8.227401     -0.974842
  C      -5.743002      9.118850      0.901013
  C      -5.115905     10.208913      1.528825
  C      -4.453236     10.036172      2.740535
  C      -4.412225      8.773227      3.325890
  F      -3.781439      8.662681      4.511903
  C      -5.038975      7.659825      2.742256
  C      -5.072860      6.267575      3.293558
  O      -6.011828      5.520536      2.995367
  N      -3.982399      5.896230      4.085632
  C      -3.791398      4.598829      4.129254
  C      -5.703686      7.872318      1.528985
  C     -12.662783     -0.861297      1.251544
  C     -11.605984     -1.006045      2.341764
  O     -11.488536     -2.039547      2.974408
  C     -10.703853      0.163525      2.628491
  C     -10.768398      1.355535      1.907389
  C      -9.892775      2.413941      2.202310
  C      -8.948006      2.275623      3.203429
  F      -8.127321      3.317881      3.465103
  C      -8.852073      1.101040      3.964515
  C      -7.889319      0.899715      5.105812
  O      -8.197001      0.187542      6.042159
  N      -6.635633      1.490639      4.936207
  C      -6.004455      1.816142      6.026694
  C      -9.756675      0.056193      3.663807
  H      -7.419789      4.386353      0.548166
  H      -6.004476      4.985878     -0.411569
  H      -7.065587      3.648193     -1.038977
  H      -7.802127      1.631484     -0.549511
  H      -8.474783     -0.668020      0.128565
  H      -3.517055     -1.786914      5.278599
  H      -4.911739      1.625012      2.625326
  H      -7.143693     11.270982     -0.332735
  H      -5.648247     11.049738     -1.238827
  H      -7.197102     10.507772     -1.951614
  H      -5.138062     11.198602      1.075314
  H      -3.969140     10.868787      3.248723
  H      -4.417788      3.913413      3.514863
  H      -6.206891      7.027915      1.060405
  H     -13.248843     -1.791642      1.190002
  H     -12.209219     -0.671457      0.263129
  H     -13.317344     -0.012352      1.466959
  H     -11.512536      1.481626      1.107594
  H      -9.953502      3.367360      1.668917
  H      -6.553151      1.872502      6.983156
  H      -9.709421     -0.878111      4.255121
  N      -2.564053      1.875118      2.974676
  N      -2.595275      1.966665      1.582077
  H      -3.491962      2.550766      1.233568
  H      -2.630002      1.031989      1.145045
  H      -1.750247      2.433329      1.248426
91
Coordinates from ORCA-job orca E -6725.193697173635
  N      -2.456565      0.091339      5.402081
  Mo     -3.172149      1.888668      4.658632
  N      -4.703155      2.106685      6.073638
  C      -4.301478      2.788209      7.313241
  C      -2.937759      2.306378      7.779707
  N      -1.930943      2.310985      6.677300
  C      -0.938495      1.210120      6.840435
  C      -1.599337     -0.128393      6.552084
  C      -1.215807      3.611437      6.537224
  C      -2.113475      4.660074      5.902591
  N      -2.893785      3.967117      4.892907
  H      -0.826482     -0.885824      6.336703
  H      -2.197212     -0.494079      7.404405
  H      -0.142620      1.387011      6.103921
  H      -0.487254      1.231905      7.845420
  H      -2.770788      5.160200      6.632502
  H      -1.499648      5.453328      5.444655
  H      -0.829521      3.939926      7.515013
  H      -0.358485      3.424200      5.875945
  H      -5.036822      2.591653      8.110219
  H      -4.302539      3.874686      7.141953
  H      -3.036039      1.272509      8.135469
  H      -2.573065      2.919916      8.620118
  C      -6.667018      4.099641     -0.160207
  C      -5.757973      3.116777      0.524161
  O      -4.584194      3.442939      0.777900
  C      -6.241764      1.784759      0.907368
  C      -7.305744      1.133081      0.243243
  C      -7.671976     -0.151199      0.620601
  C      -7.005644     -0.783732      1.677087
  F      -7.407225     -2.017467      1.997498
  C      -5.964395     -0.152399      2.395481
  C      -5.275474     -0.803422      3.549636
  O      -5.564524     -1.913943      3.965789
  N      -4.201750     -0.086413      4.108529
  C      -3.394226     -0.718042      4.956680
  C      -5.617905      1.131799      1.978392
  C      -6.557457     10.598284     -1.032290
  C      -6.432874      9.224141     -0.399989
  O      -6.907095      8.216056     -0.939229
  C      -5.718450      9.111668      0.905885
  C      -5.061284     10.196802      1.514404
  C      -4.401180     10.022333      2.722623
  C      -4.388823      8.760751      3.321105
  F      -3.753969      8.648955      4.501564
  C      -5.039257      7.651558      2.752908
  C      -5.088604      6.261298      3.313907
  O      -6.030738      5.520578      3.034626
  N      -4.003304      5.892253      4.105462
  C      -3.800948      4.598448      4.147333
  C      -5.705428      7.866882      1.546201
  C     -12.617098     -0.916313      1.357995
  C     -11.563034     -1.019115      2.401523
  O     -11.412333     -2.079416      3.052406
  C     -10.691332      0.171717      2.645835
  C     -10.790266      1.371434      1.905338
  C      -9.938043      2.427629      2.170262
  C      -8.969550      2.265545      3.174081
  F      -8.168231      3.318699      3.408976
  C      -8.853109      1.104650      3.936973
  C      -7.888223      0.926928      5.049893
  O      -8.190160      0.227638      5.987932
  N      -6.637347      1.487452      4.893810
  C      -6.014201      1.801119      5.998650
  C      -9.739510      0.072091      3.661341
  H      -7.492975      4.358096      0.515907
  H      -6.127704      5.004639     -0.426272
  H      -7.112741      3.674049     -1.055867
  H      -7.835408      1.615684     -0.581792
  H      -8.482291     -0.687382      0.115745
  H      -3.498081     -1.770492      5.246521
  H      -4.879582      1.668657      2.572841
  H      -7.050157     11.309243     -0.345565
  H      -5.561805     11.015508     -1.269126
  H      -7.139983     10.514476     -1.950764
  H      -5.061381     11.185637      1.049996
  H      -3.895194     10.851659      3.217988
  H      -4.413415      3.920775      3.521979
  H      -6.229492      7.026388      1.090638
  H     -13.179856     -1.861052      1.328953
  H     -12.137947     -0.713366      0.382678
  H     -13.327234     -0.085645      1.568983
  H     -11.535692      1.485740      1.126556
  H     -10.018266      3.369005      1.635202
  H      -6.571336      1.853499      6.950719
  H      -9.675434     -0.844848      4.253424
  N      -2.562568      1.905105      2.981591
  N      -2.594087      2.015141      1.591861
  H      -3.531949      2.593150      1.231539
  H      -2.602676      1.070333      1.173558
  H      -1.743258      2.523915      1.241962
91
Coordinates from ORCA-job orca E -6725.192253091900
  N      -2.449389      0.089671      5.425352
  Mo     -3.161175      1.879715      4.671063
  N      -4.681742      2.107963      6.095018
  C      -4.271034      2.796749      7.327309
  C      -2.904643      2.317689      7.786636
  N      -1.909317      2.314474      6.677800
  C      -0.919518      1.212124      6.843668
  C      -1.585066     -0.123804      6.572403
  C      -1.192599      3.610555      6.524043
  C      -2.091861      4.656250      5.886633
  N      -2.877385      3.958719      4.884279
  H      -0.818728     -0.883686      6.360617
  H      -2.173328     -0.478394      7.431428
  H      -0.130302      1.380915      6.101783
  H      -0.461745      1.240150      7.845702
  H      -2.743199      5.162671      6.615154
  H      -1.481090      5.444258      5.419309
  H      -0.799098      3.943560      7.497504
  H      -0.341789      3.418233      5.860014
  H      -4.998605      2.604447      8.130199
  H      -4.272006      3.882373      7.149488
  H      -3.000513      1.286584      8.149256
  H      -2.531378      2.933660      8.619525
  C      -6.668830      4.062584     -0.162015
  C      -5.771600      3.110869      0.525055
  O      -4.606387      3.476691      0.761774
  C      -6.243243      1.775052      0.926131
  C      -7.292850      1.107708      0.259058
  C      -7.646189     -0.175002      0.636973
  C      -6.988977     -0.794217      1.700095
  F      -7.373341     -2.027677      2.015079
  C      -5.964533     -0.153019      2.424409
  C      -5.284280     -0.795176      3.581855
  O      -5.582500     -1.870944      3.983475
  N      -4.206197     -0.090301      4.136835
  C      -3.396755     -0.723783      4.986195
  C      -5.621224      1.132795      2.004435
  C      -6.623413     10.577438     -1.042117
  C      -6.443928      9.211668     -0.427213
  O      -6.864349      8.210112     -0.990652
  C      -5.737565      9.104775      0.891292
  C      -5.115470     10.195880      1.521457
  C      -4.457403     10.025863      2.737051
  C      -4.415601      8.762893      3.323992
  F      -3.788019      8.655380      4.514661
  C      -5.035736      7.648376      2.737303
  C      -5.069107      6.255941      3.290178
  O      -6.012519      5.511241      3.002555
  N      -3.983657      5.889419      4.089696
  C      -3.785468      4.592773      4.138046
  C      -5.696502      7.858478      1.521227
  C     -12.651210     -0.805454      1.221550
  C     -11.589644     -0.991993      2.320769
  O     -11.469662     -2.053662      2.938458
  C     -10.685581      0.171699      2.637406
  C     -10.765710      1.383491      1.939413
  C      -9.911230      2.449542      2.239079
  C      -8.954629      2.283074      3.238599
  F      -8.144496      3.347725      3.511174
  C      -8.845390      1.091121      3.974655
  C      -7.869506      0.880458      5.099594
  O      -8.174517      0.128868      6.071048
  N      -6.618700      1.471331      4.935248
  C      -5.992556      1.796280      6.027337
  C      -9.739415      0.058420      3.657535
  H      -7.482417      4.331538      0.509338
  H      -6.131411      4.964047     -0.438812
  H      -7.117398      3.605308     -1.045218
  H      -7.817370      1.578907     -0.572357
  H      -8.438916     -0.719870      0.125604
  H      -3.505577     -1.776997      5.281399
  H      -4.888653      1.677536      2.600661
  H      -7.153108     11.251473     -0.350757
  H      -5.644673     11.035130     -1.252363
  H      -7.190711     10.485000     -1.977752
  H      -5.139181     11.186668      1.065846
  H      -3.975914     10.860401      3.249170
  H      -4.403910      3.917062      3.518346
  H      -6.197621      7.012628      1.050071
  H     -13.237304     -1.713100      1.131075
  H     -12.212847     -0.590738      0.242219
  H     -13.299074      0.048840      1.460278
  H     -11.511793      1.516114      1.154403
  H      -9.988711      3.420813      1.724464
  H      -6.544667      1.848918      6.982699
  H      -9.695172     -0.858726      4.210006
  N      -2.571728      1.877539      2.989299
  N      -2.615810      1.977574      1.586745
  H      -3.537841      2.578910      1.249184
  H      -2.650273      1.042645      1.147844
  H      -1.770118      2.439191      1.232836
91
Coordinates from ORCA-job orca E -6725.191956132567
  N      -2.452195      0.081322      5.420064
  Mo     -3.165320      1.871058      4.658143
  N      -4.686175      2.112120      6.082273
  C      -4.271035      2.806642      7.310057
  C      -2.905057      2.329374      7.767344
  N      -1.913500      2.320016      6.655304
  C      -0.920887      1.220880      6.825627
  C      -1.582530     -0.121291      6.565901
  C      -1.199213      3.617355      6.493176
  C      -2.101673      4.658908      5.853416
  N      -2.887735      3.955762      4.854792
  H      -0.812690     -0.878835      6.354505
  H      -2.166097     -0.473356      7.429561
  H      -0.134445      1.386761      6.080390
  H      -0.459894      1.259481      7.827908
  H      -2.752059      5.166211      6.582741
  H      -1.493810      5.446709      5.381789
  H      -0.804050      3.955107      7.465621
  H      -0.349662      3.423681      5.827330
  H      -4.996114      2.619334      8.116042
  H      -4.271877      3.890803      7.127069
  H      -2.999668      1.301232      8.135459
  H      -2.528586      2.950386      8.594814
  C      -6.609872      4.048237     -0.131052
  C      -5.710814      3.085213      0.547034
  O      -4.532266      3.445437      0.789053
  C      -6.223590      1.751226      0.942189
  C      -7.281160      1.109532      0.276532
  C      -7.665790     -0.169641      0.646516
  C      -7.025573     -0.808051      1.698605
  F      -7.441214     -2.036113      2.007791
  C      -5.989692     -0.189297      2.420613
  C      -5.313072     -0.844135      3.577472
  O      -5.632909     -1.969096      3.997242
  N      -4.213733     -0.115489      4.137829
  C      -3.399768     -0.735533      4.987938
  C      -5.626501      1.090339      2.009251
  C      -6.621353     10.595417     -1.007858
  C      -6.434478      9.230706     -0.408722
  O      -6.835022      8.233953     -0.988806
  C      -5.744837      9.116093      0.911717
  C      -5.144781     10.205137      1.562390
  C      -4.498552     10.027486      2.779327
  C      -4.447003      8.760787      3.347049
  F      -3.832929      8.645667      4.539685
  C      -5.047492      7.648482      2.740054
  C      -5.070852      6.251668      3.271138
  O      -6.004312      5.502981      2.963198
  N      -3.985764      5.881131      4.069185
  C      -3.794915      4.584509      4.106693
  C      -5.696142      7.865911      1.522691
  C     -12.622864     -0.839365      1.279249
  C     -11.582041     -0.950060      2.353983
  O     -11.454845     -1.957221      2.985503
  C     -10.697113      0.214000      2.624087
  C     -10.778760      1.407811      1.884964
  C      -9.921562      2.454147      2.166424
  C      -8.976735      2.317694      3.163380
  F      -8.166097      3.341144      3.420458
  C      -8.860956      1.139224      3.943863
  C      -7.890486      0.928645      5.097971
  O      -8.204019      0.206146      6.076917
  N      -6.629675      1.495429      4.927180
  C      -5.997752      1.812493      6.018899
  C      -9.750529      0.104570      3.657809
  H      -7.435584      4.330349      0.567799
  H      -6.031293      4.950181     -0.418714
  H      -7.090755      3.589172     -1.037112
  H      -7.786382      1.596876     -0.546746
  H      -8.466098     -0.694719      0.136645
  H      -3.508543     -1.787159      5.290031
  H      -4.893049      1.611900      2.605532
  H      -7.164550     11.250765     -0.320092
  H      -5.650545     11.067208     -1.201434
  H      -7.174949     10.506040     -1.946924
  H      -5.175126     11.198365      1.122306
  H      -4.034845     10.859217      3.305711
  H      -4.414119      3.904962      3.484952
  H      -6.179602      7.022131      1.035631
  H     -13.194372     -1.778907      1.233741
  H     -12.140875     -0.642515      0.303867
  H     -13.303895     -0.008995      1.481012
  H     -11.518452      1.524423      1.094130
  H      -9.989547      3.384626      1.637711
  H      -6.545585      1.875473      6.972964
  H      -9.693803     -0.825728      4.258796
  N      -2.561791      1.859134      2.983266
  N      -2.587975      1.950627      1.598159
  H      -3.491061      2.539327      1.245338
  H      -2.616462      1.010789      1.170087
  H      -1.744246      2.417991      1.265681
91
Coordinates from ORCA-job orca E -6725.193315150857
  N      -2.446424      0.092104      5.414369
  Mo     -3.175935      1.883210      4.662169
  N      -4.702161      2.099370      6.084187
  C      -4.298447      2.788909      7.320035
  C      -2.925622      2.318168      7.775776
  N      -1.926663      2.326032      6.660652
  C      -0.920967      1.231570      6.823207
  C      -1.574016     -0.115268      6.554335
  C      -1.221687      3.635409      6.506982
  C      -2.133348      4.674417      5.876013
  N      -2.914053      3.970559      4.872077
  H      -0.798333     -0.869654      6.334863
  H      -2.157812     -0.479322      7.418261
  H      -0.131898      1.411014      6.076497
  H      -0.460922      1.266606      7.824584
  H      -2.790429      5.172289      6.608905
  H      -1.529103      5.473218      5.410289
  H      -0.829695      3.972799      7.480856
  H      -0.365795      3.452877      5.838258
  H      -5.028289      2.588357      8.123127
  H      -4.307386      3.876139      7.146571
  H      -3.013765      1.283290      8.136111
  H      -2.556007      2.938285      8.611283
  C      -6.660680      4.100886     -0.136630
  C      -5.760168      3.102603      0.560396
  O      -4.551306      3.418314      0.825538
  C      -6.251926      1.766964      0.942210
  C      -7.312224      1.117949      0.273372
  C      -7.674372     -0.173006      0.646090
  C      -7.004217     -0.815358      1.703188
  F      -7.396383     -2.058312      2.018230
  C      -5.968006     -0.183286      2.425914
  C      -5.268387     -0.833993      3.583011
  O      -5.549025     -1.981500      4.014199
  N      -4.198665     -0.101613      4.134908
  C      -3.387145     -0.727188      4.977741
  C      -5.630481      1.107058      2.012535
  C      -6.531638     10.648306     -1.045440
  C      -6.417047      9.271400     -0.418163
  O      -6.896669      8.270812     -0.968728
  C      -5.708042      9.144856      0.895412
  C      -5.040481     10.221176      1.513333
  C      -4.384322     10.036069      2.728450
  C      -4.386650      8.772962      3.324370
  F      -3.755963      8.650012      4.510909
  C      -5.048316      7.672177      2.747552
  C      -5.113046      6.280353      3.308094
  O      -6.073982      5.550258      3.025818
  N      -4.023908      5.897070      4.096919
  C      -3.824337      4.602506      4.128981
  C      -5.710235      7.898081      1.533388
  C     -12.658172     -0.896294      1.291827
  C     -11.593647     -1.038053      2.360648
  O     -11.461435     -2.086695      2.989280
  C     -10.701281      0.139405      2.637432
  C     -10.778785      1.345256      1.919910
  C      -9.906265      2.400920      2.210186
  C      -8.946622      2.235549      3.213181
  F      -8.130085      3.286456      3.470235
  C      -8.849303      1.065086      3.957509
  C      -7.889906      0.870283      5.075122
  O      -8.202711      0.158034      5.997154
  N      -6.635390      1.463304      4.913018
  C      -6.013801      1.784637      6.011659
  C      -9.751069      0.027432      3.659369
  H      -7.491005      4.370526      0.535889
  H      -6.101343      5.006572     -0.408399
  H      -7.113112      3.679526     -1.040521
  H      -7.841740      1.606734     -0.553120
  H      -8.479813     -0.706771      0.137297
  H      -3.486007     -1.782803      5.271514
  H      -4.895389      1.640757      2.611450
  H      -7.023938     11.357532     -0.357166
  H      -5.531014     11.059164     -1.272494
  H      -7.111367     10.575137     -1.971626
  H      -5.028870     11.210520      1.050863
  H      -3.870637     10.858352      3.230226
  H      -4.440195      3.925823      3.500721
  H      -6.242553      7.064604      1.070943
  H     -13.235238     -1.824092      1.237879
  H     -12.203122     -0.696613      0.310955
  H     -13.333678     -0.054232      1.514333
  H     -11.525045      1.474529      1.132738
  H      -9.975237      3.363970      1.680107
  H      -6.571543      1.832070      6.966159
  H      -9.701754     -0.898042      4.236224
  N      -2.579267      1.896155      2.975153
  N      -2.619391      2.002624      1.573482
  H      -3.546472      2.576687      1.215607
  H      -2.634469      1.057771      1.149751
  H      -1.768545      2.500651      1.221601
91
Coordinates from ORCA-job orca E -6725.194142629242
  N      -2.469825      0.081434      5.429350
  Mo     -3.172666      1.870155      4.668127
  N      -4.689000      2.114942      6.094915
  C      -4.274223      2.805513      7.323315
  C      -2.907704      2.324859      7.776697
  N      -1.921798      2.314421      6.661657
  C      -0.932603      1.214600      6.832661
  C      -1.598500     -0.124481      6.573012
  C      -1.206587      3.609170      6.499190
  C      -2.109911      4.651109      5.859952
  N      -2.895918      3.951244      4.859548
  H      -0.829511     -0.881946      6.359835
  H      -2.181075     -0.477943      7.436966
  H      -0.148890      1.376360      6.084875
  H      -0.468616      1.250801      7.831570
  H      -2.759870      5.158490      6.588365
  H      -1.502816      5.439176      5.389938
  H      -0.807744      3.944600      7.469107
  H      -0.361365      3.412900      5.831295
  H      -4.996387      2.614197      8.130396
  H      -4.278586      3.890032      7.142983
  H      -3.003820      1.296176      8.143472
  H      -2.526478      2.940783      8.604094
  C      -6.663924      4.043393     -0.114472
  C      -5.772430      3.078167      0.546521
  O      -4.621289      3.425953      0.793894
  C      -6.250999      1.745410      0.926471
  C      -7.295210      1.080020      0.248225
  C      -7.651047     -0.203509      0.620502
  C      -7.002551     -0.820930      1.690397
  F      -7.390372     -2.055037      2.003084
  C      -5.983386     -0.177998      2.423093
  C      -5.311288     -0.819321      3.585171
  O      -5.611228     -1.912492      3.996112
  N      -4.233099     -0.104579      4.142249
  C      -3.420198     -0.733186      4.993682
  C      -5.637449      1.104666      2.007189
  C      -6.609984     10.633504     -1.010017
  C      -6.430046      9.259697     -0.415099
  O      -6.853006      8.258668     -0.990678
  C      -5.722944      9.139325      0.899549
  C      -5.097952     10.223448      1.539640
  C      -4.441978     10.038626      2.752504
  C      -4.405228      8.768157      3.326840
  F      -3.780725      8.646161      4.515838
  C      -5.027683      7.660292      2.728955
  C      -5.070165      6.263031      3.268436
  O      -6.011869      5.526823      2.977546
  N      -3.991619      5.885211      4.065944
  C      -3.800401      4.588246      4.110305
  C      -5.685862      7.885186      1.516291
  C     -12.595015     -0.870145      1.270962
  C     -11.543676     -0.996834      2.343927
  O     -11.404736     -2.067846      2.982074
  C     -10.665933      0.192287      2.625822
  C     -10.766111      1.395682      1.908419
  C      -9.926529      2.467263      2.193092
  C      -8.966016      2.311640      3.196571
  F      -8.169071      3.381492      3.456005
  C      -8.839844      1.130770      3.946981
  C      -7.866255      0.940086      5.073579
  O      -8.157590      0.229410      6.025247
  N      -6.624041      1.494274      4.924042
  C      -5.998257      1.815120      6.026527
  C      -9.718781      0.093508      3.646532
  H      -7.473650      4.317521      0.565055
  H      -6.120020      4.937713     -0.369731
  H      -7.117933      3.592022     -1.001863
  H      -7.810618      1.551677     -0.586064
  H      -8.439041     -0.751648      0.101866
  H      -3.534857     -1.786937      5.292507
  H      -4.909748      1.650149      2.607961
  H      -7.137057     11.298038     -0.310892
  H      -5.634920     11.096093     -1.214899
  H      -7.176983     10.551446     -1.942949
  H      -5.118651     11.219789      1.094937
  H      -3.959564     10.866785      3.272124
  H      -4.414886      3.919942      3.486760
  H      -6.190194      7.045862      1.038399
  H     -13.159626     -1.810450      1.211655
  H     -12.129634     -0.652799      0.295038
  H     -13.288720     -0.033281      1.495252
  H     -11.511540      1.513705      1.124018
  H     -10.012001      3.418150      1.673861
  H      -6.552719      1.881176      6.976615
  H      -9.657426     -0.821898      4.220657
  N      -2.583779      1.854528      2.987927
  N      -2.625337      1.947939      1.597605
  H      -3.527428      2.561908      1.266911
  H      -2.681238      1.020313      1.156726
  H      -1.778351      2.390425      1.248351
91
Coordinates from ORCA-job orca E -6725.194725898021
  N      -2.425134      0.085873      5.420186
  Mo     -3.156020      1.872796      4.663712
  N      -4.687706      2.085443      6.079377
  C      -4.288534      2.773186      7.315895
  C      -2.914617      2.313986      7.769731
  N      -1.919545      2.329632      6.655641
  C      -0.906041      1.243839      6.822268
  C      -1.549274     -0.110063      6.560397
  C      -1.224690      3.642155      6.503649
  C      -2.143857      4.673177      5.871764
  N      -2.915267      3.965091      4.862526
  H      -0.769017     -0.858375      6.344112
  H      -2.126143     -0.474139      7.425690
  H      -0.120453      1.426072      6.076812
  H      -0.446058      1.288926      7.823791
  H      -2.805737      5.163806      6.603713
  H      -1.546615      5.476676      5.409664
  H      -0.836458      3.979907      7.478562
  H      -0.369287      3.466519      5.837136
  H      -5.015132      2.565072      8.117145
  H      -4.304876      3.860110      7.145617
  H      -2.993924      1.279560      8.127799
  H      -2.547310      2.934504      8.603593
  C      -6.707238      4.053342     -0.159147
  C      -5.770631      3.099454      0.521668
  O      -4.586686      3.474136      0.738477
  C      -6.244656      1.758640      0.937406
  C      -7.303891      1.099444      0.288464
  C      -7.659868     -0.184781      0.668657
  C      -6.989367     -0.815068      1.715794
  F      -7.380769     -2.047885      2.035297
  C      -5.951982     -0.181413      2.423925
  C      -5.253127     -0.830343      3.569802
  O      -5.538616     -1.925252      3.971640
  N      -4.176668     -0.109546      4.134839
  C      -3.359251     -0.733642      4.980675
  C      -5.615396      1.106114      2.003582
  C      -6.505682     10.613947     -1.050444
  C      -6.355858      9.243680     -0.437670
  O      -6.756608      8.250820     -1.018663
  C      -5.700116      9.121253      0.897605
  C      -5.099705     10.203671      1.552642
  C      -4.483943     10.022596      2.782025
  C      -4.461866      8.757187      3.357167
  F      -3.873893      8.638141      4.560377
  C      -5.062448      7.650920      2.745805
  C      -5.104760      6.256665      3.285919
  O      -6.037782      5.510815      2.977167
  N      -4.025816      5.886726      4.087937
  C      -3.823086      4.592967      4.112601
  C      -5.682454      7.871706      1.516230
  C     -12.658185     -0.820265      1.272490
  C     -11.603852     -0.978892      2.353517
  O     -11.473664     -2.024650      2.975032
  C     -10.708003      0.177782      2.647409
  C     -10.792428      1.384256      1.934579
  C      -9.932149      2.432207      2.227369
  C      -8.979725      2.279249      3.215836
  F      -8.163655      3.307558      3.483804
  C      -8.864947      1.091916      3.966752
  C      -7.890379      0.876399      5.095878
  O      -8.198486      0.129210      6.065143
  N      -6.632564      1.470934      4.916112
  C      -6.000373      1.778037      6.007554
  C      -9.755706      0.056502      3.668659
  H      -7.518281      4.314006      0.545348
  H      -6.162599      4.965141     -0.468220
  H      -7.186245      3.602758     -1.043352
  H      -7.836003      1.578683     -0.533136
  H      -8.462347     -0.721735      0.170629
  H      -3.455735     -1.784147      5.271704
  H      -4.878055      1.639643      2.591487
  H      -7.056966     11.284301     -0.378134
  H      -5.518440     11.067230     -1.223564
  H      -7.037100     10.532988     -2.002470
  H      -5.106534     11.195688      1.105227
  H      -4.019747     10.849730      3.312718
  H      -4.430351      3.915339      3.474503
  H      -6.164597      7.032014      1.023111
  H     -13.237870     -1.739666      1.199284
  H     -12.199219     -0.606346      0.294098
  H     -13.319763      0.017712      1.500009
  H     -11.541080      1.517477      1.148619
  H     -10.005739      3.385076      1.710305
  H      -6.550173      1.822227      6.965482
  H      -9.697745     -0.881337      4.246671
  N      -2.560693      1.886536      2.981459
  N      -2.597204      1.992241      1.584563
  H      -3.545106      2.554904      1.217081
  H      -2.596461      1.037610      1.178022
  H      -1.743571      2.512045      1.226973
91
Coordinates from ORCA-job orca E -6725.192880062947
  N      -2.454764      0.084184      5.423205
  Mo     -3.178649      1.871563      4.666558
  N      -4.698147      2.101577      6.095938
  C      -4.286344      2.794496      7.326697
  C      -2.911182      2.323350      7.771347
  N      -1.924644      2.325337      6.646822
  C      -0.918085      1.233859      6.808122
  C      -1.570008     -0.114773      6.555033
  C      -1.222743      3.632741      6.481988
  C      -2.141117      4.666778      5.855025
  N      -2.923424      3.960581      4.854818
  H      -0.794574     -0.865672      6.330710
  H      -2.141665     -0.475822      7.426703
  H      -0.136820      1.407120      6.053481
  H      -0.449969      1.276923      7.804964
  H      -2.795250      5.163012      6.590508
  H      -1.542918      5.466591      5.385176
  H      -0.822804      3.972325      7.450929
  H      -0.373439      3.449599      5.806817
  H      -5.008163      2.594092      8.136411
  H      -4.298553      3.880474      7.151072
  H      -2.998607      1.291227      8.136251
  H      -2.531349      2.943901      8.600431
  C      -6.630257      4.079922     -0.101311
  C      -5.727820      3.098186      0.586693
  O      -4.537610      3.443050      0.851641
  C      -6.227912      1.756917      0.962524
  C      -7.285093      1.106591      0.284770
  C      -7.662167     -0.182340      0.648473
  C      -7.008739     -0.822811      1.702902
  F      -7.415259     -2.062349      2.007575
  C      -5.974717     -0.193982      2.433859
  C      -5.287749     -0.847749      3.591968
  O      -5.582693     -1.994366      4.010525
  N      -4.212722     -0.114889      4.152293
  C      -3.397944     -0.736523      4.996177
  C      -5.626406      1.096003      2.031992
  C      -6.590876     10.633256     -1.025191
  C      -6.470666      9.260093     -0.398083
  O      -6.971235      8.256004     -0.933901
  C      -5.732654      9.143468      0.901652
  C      -5.044958     10.223153      1.503096
  C      -4.366807     10.044921      2.708020
  C      -4.367166      8.785946      3.309773
  F      -3.715990      8.670856      4.487488
  C      -5.047276      7.682041      2.747608
  C      -5.116002      6.292201      3.312031
  O      -6.090265      5.570542      3.040537
  N      -4.021880      5.897931      4.091846
  C      -3.831011      4.598831      4.112567
  C      -5.730628      7.901380      1.544380
  C     -12.632965     -0.872837      1.260410
  C     -11.581850     -1.002282      2.330638
  O     -11.453249     -2.019433      2.948959
  C     -10.693216      0.165820      2.612543
  C     -10.768359      1.375863      1.894504
  C      -9.902733      2.430195      2.189499
  C      -8.943813      2.252119      3.201222
  F      -8.132962      3.293417      3.460094
  C      -8.846244      1.074280      3.949788
  C      -7.893921      0.868160      5.086573
  O      -8.232061      0.139213      6.031298
  N      -6.628194      1.464402      4.929793
  C      -6.008986      1.791112      6.025735
  C      -9.749598      0.048528      3.639036
  H      -7.464776      4.341812      0.577383
  H      -6.071135      4.996411     -0.371031
  H      -7.083099      3.639721     -1.011407
  H      -7.800704      1.594725     -0.539151
  H      -8.467464     -0.714928      0.133600
  H      -3.500428     -1.792494      5.296089
  H      -4.899428      1.624845      2.637338
  H      -7.063853     11.350031     -0.326228
  H      -5.591736     11.040812     -1.277520
  H      -7.192443     10.553067     -1.937646
  H      -5.035982     11.209753      1.036402
  H      -3.837856     10.870582      3.197986
  H      -4.446533      3.930268      3.479822
  H      -6.279091      7.065893      1.094446
  H     -13.206277     -1.808018      1.205644
  H     -12.158044     -0.669421      0.289319
  H     -13.318098     -0.038746      1.473750
  H     -11.506958      1.504835      1.107742
  H      -9.974946      3.401207      1.657539
  H      -6.568106      1.846841      6.976925
  H      -9.713987     -0.858683      4.201803
  N      -2.583719      1.866534      2.984261
  N      -2.618884      1.962986      1.596807
  H      -3.507002      2.564893      1.265795
  H      -2.668012      1.034604      1.147859
  H      -1.781164      2.402573      1.268573
91
Coordinates from ORCA-job orca E -6725.194851539976
  N      -2.457046      0.077458      5.435097
  Mo     -3.172317      1.863419      4.667137
  N      -4.691690      2.101067      6.091117
  C      -4.280013      2.794114      7.320717
  C      -2.907714      2.324502      7.768299
  N      -1.923634      2.321627      6.647026
  C      -0.920330      1.231300      6.818701
  C      -1.573743     -0.116626      6.570571
  C      -1.220952      3.625653      6.480172
  C      -2.134979      4.658869      5.845501
  N      -2.915276      3.953745      4.844113
  H      -0.800078     -0.867883      6.353622
  H      -2.145618     -0.471803      7.441234
  H      -0.140721      1.398890      6.065646
  H      -0.452496      1.280249      7.815961
  H      -2.787592      5.158813      6.576828
  H      -1.535888      5.454727      5.375803
  H      -0.822541      3.966040      7.449491
  H      -0.374714      3.436300      5.808749
  H      -4.999763      2.595005      8.129365
  H      -4.293597      3.879682      7.143192
  H      -2.994138      1.293908      8.134322
  H      -2.527408      2.944828      8.594550
  C      -6.685667      4.043279     -0.095022
  C      -5.800725      3.058098      0.579883
  O      -4.613703      3.375110      0.841150
  C      -6.272194      1.725952      0.951195
  C      -7.320268      1.070173      0.277985
  C      -7.668480     -0.217516      0.650041
  C      -7.004976     -0.846931      1.715043
  F      -7.388426     -2.085956      2.030499
  C      -5.980704     -0.208072      2.442585
  C      -5.291719     -0.850493      3.605983
  O      -5.579556     -1.986871      4.033348
  N      -4.218527     -0.117509      4.157396
  C      -3.404897     -0.744059      5.004366
  C      -5.645843      1.077727      2.024655
  C      -6.546481     10.699174     -1.026010
  C      -6.382685      9.320104     -0.433752
  O      -6.803202      8.329900     -1.024733
  C      -5.695823      9.180324      0.893036
  C      -5.071759     10.253825      1.550865
  C      -4.432626     10.053508      2.775492
  C      -4.411540      8.778584      3.343050
  F      -3.803401      8.640415      4.542778
  C      -5.033392      7.681051      2.727963
  C      -5.086747      6.280051      3.259901
  O      -6.038392      5.552818      2.958539
  N      -4.010345      5.889150      4.059793
  C      -3.817905      4.592104      4.093974
  C      -5.675522      7.921278      1.503833
  C     -12.615288     -0.898931      1.269802
  C     -11.557274     -1.026649      2.345610
  O     -11.421932     -2.078331      2.980131
  C     -10.679696      0.172308      2.618671
  C     -10.768849      1.370069      1.896937
  C      -9.918410      2.438436      2.183711
  C      -8.966366      2.296602      3.185844
  F      -8.169663      3.370905      3.440956
  C      -8.849910      1.122943      3.940831
  C      -7.877636      0.930572      5.073778
  O      -8.167988      0.228988      6.014640
  N      -6.630905      1.485006      4.920591
  C      -6.003141      1.802652      6.022343
  C      -9.733566      0.075412      3.646285
  H      -7.502751      4.319474      0.573033
  H      -6.136691      4.934564     -0.348038
  H      -7.134436      3.612719     -0.989301
  H      -7.848238      1.550536     -0.550627
  H      -8.461875     -0.758825      0.136834
  H      -3.513385     -1.799897      5.304351
  H      -4.915179      1.622490      2.623393
  H      -7.080829     11.360127     -0.332663
  H      -5.567929     11.155609     -1.212193
  H      -7.100646     10.629866     -1.971091
  H      -5.079367     11.252988      1.111758
  H      -3.952061     10.872967      3.307586
  H      -4.430100      3.925527      3.460666
  H      -6.178608      7.090571      1.012960
  H     -13.182597     -1.833096      1.214552
  H     -12.163662     -0.694706      0.290165
  H     -13.298026     -0.060340      1.490712
  H     -11.507486      1.477052      1.113749
  H      -9.989453      3.369651      1.668919
  H      -6.555138      1.865971      6.975194
  H      -9.666280     -0.866932      4.245259
  N      -2.587173      1.857932      2.980574
  N      -2.633326      1.957205      1.578987
  H      -3.551239      2.550458      1.230132
  H      -2.670003      1.017209      1.153722
  H      -1.780744      2.430202      1.217290
91
Coordinates from ORCA-job orca E -6725.193036767548
  N      -2.430120      0.086834      5.419080
  Mo     -3.161066      1.872694      4.665012
  N      -4.692016      2.083669      6.080992
  C      -4.292631      2.769430      7.317504
  C      -2.916486      2.312061      7.765343
  N      -1.926926      2.331018      6.647399
  C      -0.910324      1.250864      6.812710
  C      -1.548283     -0.105020      6.554564
  C      -1.237684      3.644912      6.495786
  C      -2.163453      4.672365      5.868994
  N      -2.931173      3.965774      4.857227
  H      -0.764651     -0.848250      6.333697
  H      -2.118989     -0.472027      7.422656
  H      -0.128738      1.433263      6.064967
  H      -0.448705      1.299216      7.812281
  H      -2.826942      5.156291      6.603141
  H      -1.572026      5.480897      5.409810
  H      -0.848063      3.980895      7.469378
  H      -0.385020      3.473568      5.826208
  H      -5.014225      2.556104      8.120940
  H      -4.315891      3.856129      7.149184
  H      -2.992402      1.277530      8.122487
  H      -2.546712      2.931251      8.597573
  C      -6.706885      4.040935     -0.125450
  C      -5.778337      3.093263      0.532549
  O      -4.620779      3.469352      0.744947
  C      -6.257148      1.750527      0.940688
  C      -7.314318      1.084972      0.291899
  C      -7.663558     -0.200944      0.670292
  C      -6.989616     -0.824523      1.714948
  F      -7.371559     -2.058895      2.032108
  C      -5.955521     -0.184176      2.422390
  C      -5.252635     -0.829812      3.561752
  O      -5.526802     -1.917458      3.954253
  N      -4.182177     -0.107330      4.134817
  C      -3.362923     -0.732264      4.981637
  C      -5.625532      1.103216      2.004891
  C      -6.497911     10.608474     -1.043596
  C      -6.363329      9.238040     -0.426107
  O      -6.785246      8.239144     -0.994838
  C      -5.698231      9.121494      0.900494
  C      -5.081072     10.204877      1.539299
  C      -4.459192     10.028582      2.761503
  C      -4.447381      8.766338      3.345466
  F      -3.852736      8.652316      4.541852
  C      -5.063853      7.659181      2.749694
  C      -5.115904      6.268504      3.298263
  O      -6.049725      5.529150      3.004713
  N      -4.038337      5.894767      4.092513
  C      -3.836051      4.601326      4.108780
  C      -5.690257      7.875362      1.527665
  C     -12.641916     -0.819648      1.271725
  C     -11.591550     -0.975230      2.343790
  O     -11.461777     -2.055273      2.970739
  C     -10.691302      0.178028      2.645496
  C     -10.781737      1.392260      1.937393
  C      -9.922973      2.435959      2.233893
  C      -8.964024      2.267965      3.223558
  F      -8.149428      3.304982      3.494496
  C      -8.848053      1.079754      3.963024
  C      -7.881485      0.878529      5.072075
  O      -8.187511      0.148287      6.016200
  N      -6.630005      1.465310      4.909190
  C      -6.003772      1.775281      6.007123
  C      -9.739041      0.054697      3.659986
  H      -7.512323      4.307130      0.595542
  H      -6.157377      4.948353     -0.423131
  H      -7.197237      3.578619     -1.010912
  H      -7.845974      1.560618     -0.527958
  H      -8.461477     -0.744729      0.172640
  H      -3.459062     -1.782619      5.270166
  H      -4.888420      1.641893      2.590209
  H      -7.033600     11.291160     -0.369999
  H      -5.506356     11.050689     -1.231548
  H      -7.038299     10.525299     -1.985322
  H      -5.079823     11.194372      1.084824
  H      -3.982207     10.856589      3.280044
  H      -4.438323      3.933172      3.463574
  H      -6.185496      7.035600      1.047068
  H     -13.220364     -1.750948      1.197068
  H     -12.171729     -0.593509      0.293418
  H     -13.318815      0.019233      1.507063
  H     -11.543624      1.550648      1.139823
  H     -10.008597      3.414050      1.710997
  H      -6.557774      1.820149      6.961484
  H      -9.689768     -0.855795      4.214901
  N      -2.562735      1.885279      2.984392
  N      -2.599221      1.990654      1.594830
  H      -3.534167      2.567876      1.244554
  H      -2.615931      1.046549      1.173988
  H      -1.742783      2.493288      1.236345
91
Coordinates from ORCA-job orca E -6725.195863208195
  N      -2.432191      0.076770      5.438293
  Mo     -3.167403      1.859248      4.672261
  N      -4.692426      2.081449      6.096772
  C      -4.287729      2.775682      7.329125
  C      -2.906228      2.320057      7.772311
  N      -1.921370      2.331564      6.646347
  C      -0.899159      1.250432      6.811287
  C      -1.538238     -0.109454      6.566567
  C      -1.232843      3.647445      6.481571
  C      -2.165245      4.670700      5.853528
  N      -2.937527      3.955215      4.847190
  H      -0.754660     -0.854064      6.342547
  H      -2.100987     -0.473582      7.442565
  H      -0.120928      1.429823      6.055153
  H      -0.428542      1.305892      7.807404
  H      -2.827723      5.159470      6.588315
  H      -1.576281      5.478576      5.386626
  H      -0.835920      3.992234      7.451554
  H      -0.381601      3.472610      5.807584
  H      -5.007239      2.565426      8.137672
  H      -4.311210      3.862498      7.156904
  H      -2.981720      1.286683      8.136394
  H      -2.529585      2.944577      8.600369
  C      -6.700047      4.044653     -0.131291
  C      -5.750923      3.085801      0.559403
  O      -4.579022      3.463596      0.800914
  C      -6.223213      1.738836      0.958756
  C      -7.285050      1.075476      0.296070
  C      -7.648507     -0.211535      0.670270
  C      -6.981769     -0.841264      1.722857
  F      -7.377937     -2.078335      2.037313
  C      -5.945803     -0.204068      2.443178
  C      -5.257231     -0.851889      3.597508
  O      -5.536326     -1.961526      3.995741
  N      -4.190058     -0.128627      4.163633
  C      -3.371526     -0.749947      5.009736
  C      -5.604514      1.087395      2.030348
  C      -6.546487     10.655032     -1.031044
  C      -6.420853      9.278789     -0.417583
  O      -6.890938      8.285898     -0.976738
  C      -5.713910      9.148730      0.898126
  C      -5.054358     10.222426      1.527841
  C      -4.403126     10.034245      2.744549
  C      -4.402925      8.770207      3.330731
  F      -3.779158      8.644426      4.521445
  C      -5.056374      7.671813      2.741329
  C      -5.121615      6.278472      3.291317
  O      -6.084869      5.553708      3.003382
  N      -4.038207      5.887104      4.082130
  C      -3.843414      4.589998      4.097716
  C      -5.712654      7.900427      1.525804
  C     -12.651410     -0.829488      1.252302
  C     -11.587125     -0.983225      2.322728
  O     -11.445230     -2.022346      2.943139
  C     -10.703550      0.190523      2.606097
  C     -10.788760      1.400738      1.898930
  C      -9.930886      2.459021      2.194314
  C      -8.969876      2.290184      3.193605
  F      -8.149508      3.308093      3.470202
  C      -8.856369      1.100340      3.939842
  C      -7.881880      0.865856      5.089692
  O      -8.196419      0.124181      6.054728
  N      -6.626036      1.456939      4.925527
  C      -6.003172      1.772022      6.022678
  C      -9.752404      0.070037      3.627865
  H      -7.523120      4.265751      0.549097
  H      -6.190485      4.977755     -0.423006
  H      -7.144142      3.612587     -1.019641
  H      -7.816176      1.554967     -0.526843
  H      -8.456227     -0.750870      0.165282
  H      -3.468098     -1.803663      5.306864
  H      -4.875376      1.624894      2.629148
  H      -7.045474     11.353651     -0.335293
  H      -5.548274     11.075493     -1.250245
  H      -7.123519     10.583046     -1.961343
  H      -5.046234     11.213333      1.072651
  H      -3.895409     10.855500      3.256922
  H      -4.450845      3.921586      3.456162
  H      -6.240471      7.068299      1.052712
  H     -13.224402     -1.749409      1.186641
  H     -12.194103     -0.617670      0.278554
  H     -13.326928      0.005146      1.477805
  H     -11.522835      1.511836      1.129921
  H     -10.000937      3.410718      1.683549
  H      -6.561047      1.823479      6.975634
  H      -9.694926     -0.873003      4.204661
  N      -2.577559      1.859720      2.991132
  N      -2.617821      1.960017      1.599007
  H      -3.524628      2.556475      1.266631
  H      -2.659837      1.024746      1.159648
  H      -1.776530      2.412051      1.258019
91
Coordinates from ORCA-job orca E -6725.194652293289
  N      -2.455225      0.078009      5.431851
  Mo     -3.176165      1.860855      4.664234
  N      -4.694796      2.094925      6.089772
  C      -4.282791      2.787402      7.318737
  C      -2.907358      2.324496      7.757649
  N      -1.929356      2.327811      6.630157
  C      -0.918092      1.245904      6.798766
  C      -1.561917     -0.107549      6.559297
  C      -1.236669      3.636644      6.460169
  C      -2.159439      4.663344      5.832564
  N      -2.935614      3.956487      4.830474
  H      -0.784929     -0.852214      6.336048
  H      -2.123144     -0.465622      7.435800
  H      -0.143905      1.417768      6.040856
  H      -0.446509      1.302942      7.793057
  H      -2.812595      5.154953      6.567885
  H      -1.568138      5.465904      5.363865
  H      -0.836630      3.977865      7.427518
  H      -0.392331      3.454188      5.783851
  H      -4.998054      2.581596      8.130119
  H      -4.303475      3.872789      7.144304
  H      -2.986942      1.293499      8.122821
  H      -2.525109      2.945832      8.581418
  C      -6.673295      4.035883     -0.069495
  C      -5.796203      3.052284      0.596798
  O      -4.595053      3.371469      0.855171
  C      -6.275023      1.718575      0.965690
  C      -7.325395      1.068828      0.297050
  C      -7.678290     -0.219550      0.665586
  C      -7.013529     -0.855275      1.721534
  F      -7.405176     -2.093471      2.034703
  C      -5.984463     -0.222158      2.444650
  C      -5.290865     -0.869001      3.603852
  O      -5.578898     -2.027736      4.032494
  N      -4.217911     -0.124703      4.161372
  C      -3.398831     -0.746351      5.006474
  C      -5.650445      1.064108      2.031292
  C      -6.520667     10.708960     -1.032489
  C      -6.371801      9.330551     -0.435362
  O      -6.797737      8.341282     -1.024426
  C      -5.691993      9.191238      0.893573
  C      -5.063521     10.263868      1.552026
  C      -4.430480     10.063838      2.779178
  C      -4.419453      8.790625      3.347776
  F      -3.816775      8.653099      4.549731
  C      -5.045965      7.694185      2.731684
  C      -5.106878      6.293479      3.263515
  O      -6.063815      5.569317      2.958400
  N      -4.028791      5.895528      4.060038
  C      -3.836341      4.597429      4.081197
  C      -5.682494      7.934274      1.505596
  C     -12.608730     -0.892657      1.263581
  C     -11.562599     -1.018917      2.341883
  O     -11.438069     -2.043693      2.961242
  C     -10.676272      0.158961      2.626669
  C     -10.753286      1.361792      1.904437
  C      -9.895283      2.422096      2.198229
  C      -8.947608      2.266130      3.207127
  F      -8.154420      3.347737      3.456683
  C      -8.847359      1.096075      3.955617
  C      -7.892593      0.912142      5.079470
  O      -8.209720      0.194533      6.024510
  N      -6.634081      1.480674      4.925773
  C      -6.006205      1.798366      6.022923
  C      -9.736368      0.052945      3.657570
  H      -7.495846      4.329137      0.612917
  H      -6.100138      4.923050     -0.323263
  H      -7.140767      3.592596     -0.977155
  H      -7.853264      1.554105     -0.524478
  H      -8.476701     -0.755547      0.156786
  H      -3.503381     -1.802849      5.306931
  H      -4.920224      1.602373      2.628774
  H      -7.053707     11.377494     -0.344189
  H      -5.536344     11.157551     -1.217071
  H      -7.071195     10.639224     -1.978779
  H      -5.062471     11.261497      1.111694
  H      -3.946995     10.882553      3.311595
  H      -4.445555      3.935745      3.438840
  H      -6.188275      7.104501      1.013767
  H     -13.180878     -1.832302      1.203422
  H     -12.142778     -0.687465      0.287143
  H     -13.286442     -0.057925      1.479994
  H     -11.496974      1.493460      1.103924
  H      -9.965279      3.377363      1.671429
  H      -6.556219      1.859621      6.976818
  H      -9.688995     -0.868808      4.238150
  N      -2.587080      1.855509      2.975158
  N      -2.627676      1.951806      1.579599
  H      -3.542692      2.530948      1.221748
  H      -2.657896      1.006882      1.162485
  H      -1.775961      2.433298      1.226332
91
Coordinates from ORCA-job orca E -6725.198993926363
  N      -2.429432      0.080244      5.433663
  Mo     -3.166496      1.859519      4.672806
  N      -4.692410      2.072543      6.093564
  C      -4.288620      2.761255      7.328333
  C      -2.905514      2.312511      7.765246
  N      -1.924448      2.333024      6.637970
  C      -0.900189      1.258682      6.801378
  C      -1.533151     -0.102317      6.559533
  C      -1.243180      3.651700      6.477105
  C      -2.179938      4.671695      5.855785
  N      -2.947433      3.958914      4.847592
  H      -0.747378     -0.840979      6.333178
  H      -2.091397     -0.468836      7.436071
  H      -0.126574      1.440251      6.044092
  H      -0.429116      1.316392      7.795678
  H      -2.842241      5.151773      6.593261
  H      -1.596735      5.485492      5.393417
  H      -0.847323      3.992463      7.446387
  H      -0.394649      3.483419      5.800882
  H      -5.003280      2.542205      8.137187
  H      -4.321323      3.848444      7.161691
  H      -2.973481      1.277468      8.125233
  H      -2.531240      2.936343      8.593030
  C      -6.710985      4.034697     -0.108434
  C      -5.781391      3.070040      0.561168
  O      -4.609872      3.428458      0.800093
  C      -6.260725      1.728838      0.957937
  C      -7.317112      1.065382      0.302626
  C      -7.667721     -0.222315      0.681071
  C      -6.994262     -0.847341      1.733063
  F      -7.373636     -2.085754      2.051007
  C      -5.959618     -0.204409      2.444300
  C      -5.251508     -0.847913      3.590511
  O      -5.522020     -1.974931      3.994651
  N      -4.186641     -0.113110      4.161894
  C      -3.366276     -0.740091      5.004831
  C      -5.629257      1.083201      2.024386
  C      -6.496225     10.658033     -1.042998
  C      -6.387111      9.281466     -0.422183
  O      -6.847102      8.285982     -0.985332
  C      -5.701773      9.152946      0.899439
  C      -5.053868     10.227947      1.533388
  C      -4.418145     10.040540      2.754303
  C      -4.421654      8.775800      3.340226
  F      -3.812743      8.651266      4.534957
  C      -5.065047      7.676330      2.747364
  C      -5.130977      6.283001      3.295226
  O      -6.084501      5.557842      3.005954
  N      -4.051791      5.891895      4.085508
  C      -3.851509      4.596984      4.098376
  C      -5.706380      7.904325      1.527983
  C     -12.638422     -0.837547      1.250518
  C     -11.584750     -0.984634      2.323255
  O     -11.454413     -2.049623      2.947346
  C     -10.691150      0.182921      2.619739
  C     -10.775194      1.390006      1.911961
  C      -9.916783      2.440297      2.210666
  C      -8.965661      2.283196      3.203558
  F      -8.157050      3.329261      3.475697
  C      -8.848816      1.090790      3.950266
  C      -7.880377      0.880124      5.076920
  O      -8.182363      0.162575      6.010831
  N      -6.629364      1.458080      4.918527
  C      -6.004679      1.767040      6.020847
  C      -9.740551      0.061402      3.643781
  H      -7.532844      4.278547      0.588116
  H      -6.179140      4.949622     -0.387610
  H      -7.172178      3.597642     -1.004435
  H      -7.848017      1.542835     -0.519900
  H      -8.465145     -0.766093      0.179808
  H      -3.461084     -1.792817      5.293764
  H      -4.890729      1.625656      2.610781
  H      -7.005395     11.358807     -0.360425
  H      -5.495318     11.075506     -1.249394
  H      -7.055459     10.585120     -1.978772
  H      -5.040759     11.218976      1.078120
  H      -3.919208     10.862002      3.268975
  H      -4.453737      3.933941      3.451722
  H      -6.224265      7.071936      1.052102
  H     -13.211821     -1.770102      1.182089
  H     -12.175975     -0.618597      0.272386
  H     -13.319739      0.001037      1.482585
  H     -11.526096      1.529804      1.118359
  H      -9.990374      3.396057      1.697531
  H      -6.559678      1.812484      6.975798
  H      -9.685976     -0.862923      4.212354
  N      -2.576603      1.870509      2.986933
  N      -2.618384      1.979168      1.590518
  H      -3.528988      2.574946      1.252155
  H      -2.657199      1.045683      1.149470
  H      -1.766516      2.443453      1.235765
91
Coordinates from ORCA-job orca E -6725.194816785080
  N      -2.439076      0.070781      5.443804
  Mo     -3.165437      1.854568      4.667122
  N      -4.687073      2.088563      6.092320
  C      -4.279747      2.780290      7.323528
  C      -2.899633      2.321440      7.762359
  N      -1.922395      2.329295      6.632039
  C      -0.899529      1.251174      6.800311
  C      -1.536959     -0.108251      6.565866
  C      -1.236810      3.642478      6.461624
  C      -2.170279      4.663704      5.832940
  N      -2.940498      3.951902      4.824805
  H      -0.757007     -0.851963      6.341773
  H      -2.090427     -0.466662      7.446914
  H      -0.126265      1.426431      6.041300
  H      -0.425956      1.314961      7.795130
  H      -2.831489      5.150632      6.568278
  H      -1.584666      5.471294      5.366103
  H      -0.837709      3.987005      7.430439
  H      -0.390128      3.464528      5.785812
  H      -4.995334      2.568927      8.134471
  H      -4.304164      3.866433      7.151679
  H      -2.975006      1.290140      8.127991
  H      -2.516766      2.943212      8.585903
  C      -6.704470      4.001813     -0.101829
  C      -5.793597      3.049585      0.577182
  O      -4.617609      3.412700      0.809979
  C      -6.258891      1.707745      0.973768
  C      -7.314201      1.042948      0.314449
  C      -7.662401     -0.246096      0.691527
  C      -6.987287     -0.874763      1.741800
  F      -7.373620     -2.113325      2.060056
  C      -5.958007     -0.234875      2.459442
  C      -5.261136     -0.879678      3.610483
  O      -5.514167     -1.983257      4.000439
  N      -4.204393     -0.151269      4.174613
  C      -3.382212     -0.764471      5.021233
  C      -5.632495      1.058272      2.045044
  C      -6.540298     10.688417     -1.024242
  C      -6.354560      9.317218     -0.445106
  O      -6.739984      8.336740     -1.050004
  C      -5.692704      9.176394      0.892210
  C      -5.096429     10.249236      1.567044
  C      -4.478689     10.050162      2.798333
  C      -4.453426      8.776576      3.356960
  F      -3.869574      8.638560      4.564716
  C      -5.050945      7.679910      2.725937
  C      -5.101520      6.279051      3.250690
  O      -6.048224      5.548093      2.940718
  N      -4.029420      5.890628      4.056099
  C      -3.838870      4.592779      4.070085
  C      -5.669975      7.917979      1.493887
  C     -12.628209     -0.821255      1.260447
  C     -11.564766     -0.976357      2.324998
  O     -11.423791     -2.023763      2.945278
  C     -10.683396      0.206397      2.601520
  C     -10.771609      1.431278      1.886444
  C      -9.913767      2.490317      2.181484
  C      -8.940265      2.288921      3.199746
  F      -8.112532      3.296666      3.481990
  C      -8.842572      1.120513      3.928309
  C      -7.878187      0.903355      5.063128
  O      -8.201785      0.169001      6.024830
  N      -6.621255      1.479827      4.915625
  C      -5.998281      1.792138      6.014899
  C      -9.741486      0.095955      3.614080
  H      -7.512800      4.272595      0.587684
  H      -6.150708      4.907316     -0.394014
  H      -7.180138      3.536162     -0.988773
  H      -7.851272      1.520833     -0.507426
  H      -8.466284     -0.789251      0.190456
  H      -3.484233     -1.821345      5.326528
  H      -4.909896      1.601096      2.644377
  H      -7.100591     11.323571     -0.337919
  H      -5.570705     11.167231     -1.181352
  H      -7.073641     10.617990     -1.981153
  H      -5.108191     11.247908      1.133685
  H      -4.018441     10.869954      3.344386
  H      -4.443985      3.930589      3.420976
  H      -6.154170      7.086097      0.987889
  H     -13.204381     -1.738903      1.194463
  H     -12.167100     -0.608548      0.291638
  H     -13.305880      0.014419      1.485615
  H     -11.497061      1.536876      1.125850
  H      -9.987601      3.461920      1.661922
  H      -6.555323      1.853265      6.963893
  H      -9.693197     -0.838956      4.184314
  N      -2.581340      1.844290      2.990118
  N      -2.628090      1.939657      1.602175
  H      -3.555012      2.514651      1.261204
  H      -2.658731      0.991102      1.192024
  H      -1.783466      2.426936      1.247740
91
Coordinates from ORCA-job orca E -6725.198952923441
  N      -2.437389      0.075259      5.437998
  Mo     -3.170538      1.856093      4.666925
  N      -4.695116      2.081955      6.093159
  C      -4.290169      2.772538      7.325871
  C      -2.907688      2.320695      7.759857
  N      -1.930668      2.337753      6.628792
  C      -0.901053      1.266638      6.793038
  C      -1.529732     -0.100222      6.556838
  C      -1.252323      3.657864      6.462695
  C      -2.192772      4.673676      5.839291
  N      -2.957345      3.957842      4.828418
  H      -0.740423     -0.835467      6.324698
  H      -2.079581     -0.470372      7.439002
  H      -0.129416      1.449145      6.032046
  H      -0.425424      1.332160      7.785906
  H      -2.857795      5.153257      6.576415
  H      -1.611999      5.489023      5.377063
  H      -0.854402      4.003096      7.431736
  H      -0.404139      3.488091      5.784947
  H      -5.003486      2.552969      8.136404
  H      -4.322603      3.859124      7.159646
  H      -2.978320      1.287150      8.120678
  H      -2.527103      2.942487      8.586310
  C      -6.726486      4.006823     -0.072530
  C      -5.796544      3.048223      0.585954
  O      -4.621314      3.414118      0.816420
  C      -6.246096      1.702820      0.968404
  C      -7.301853      1.038196      0.307434
  C      -7.653558     -0.249857      0.678258
  C      -6.984719     -0.876799      1.727548
  F      -7.384231     -2.111516      2.045183
  C      -5.953264     -0.237671      2.445712
  C      -5.269279     -0.882965      3.597996
  O      -5.550854     -2.003645      3.997165
  N      -4.205845     -0.142895      4.167770
  C      -3.378262     -0.756280      5.014640
  C      -5.619126      1.052579      2.034399
  C      -6.508332     10.700556     -1.025126
  C      -6.388478      9.320829     -0.418048
  O      -6.859783      8.327773     -0.982613
  C      -5.689298      9.186211      0.899441
  C      -5.031236     10.256837      1.537645
  C      -4.388651     10.061855      2.756727
  C      -4.395592      8.794117      3.336398
  F      -3.781390      8.661411      4.530232
  C      -5.047423      7.699053      2.737657
  C      -5.122849      6.301940      3.277858
  O      -6.087846      5.585464      2.982114
  N      -4.047559      5.897582      4.070736
  C      -3.856441      4.598488      4.074670
  C      -5.695206      7.934659      1.520945
  C     -12.626327     -0.841645      1.237613
  C     -11.578104     -0.988450      2.320133
  O     -11.450369     -2.030614      2.942425
  C     -10.686325      0.174551      2.615430
  C     -10.764895      1.377924      1.905805
  C      -9.909350      2.436658      2.202105
  C      -8.961145      2.281071      3.199202
  F      -8.162743      3.345270      3.455335
  C      -8.850544      1.091986      3.949063
  C      -7.888779      0.887517      5.082466
  O      -8.211020      0.152872      6.046071
  N      -6.631626      1.470984      4.922075
  C      -6.005834      1.784417      6.018542
  C      -9.739685      0.053256      3.644871
  H      -7.541026      4.253464      0.614773
  H      -6.199753      4.924089     -0.346026
  H      -7.181478      3.559931     -0.958005
  H      -7.839645      1.516682     -0.509370
  H      -8.460877     -0.792026      0.177056
  H      -3.476762     -1.811507      5.315464
  H      -4.899446      1.593454      2.636200
  H      -7.010416     11.397914     -0.329836
  H      -5.509658     11.122028     -1.237248
  H      -7.079734     10.631120     -1.957145
  H      -5.017937     11.250346      1.088090
  H      -3.883413     10.880427      3.275930
  H      -4.456103      3.939812      3.419178
  H      -6.223386      7.105536      1.042562
  H     -13.204004     -1.775395      1.163627
  H     -12.158620     -0.627029      0.260529
  H     -13.294955     -0.005450      1.461107
  H     -11.508217      1.508729      1.114993
  H      -9.980341      3.391061      1.686271
  H      -6.560873      1.839933      6.970596
  H      -9.689539     -0.876932      4.219802
  N      -2.580598      1.854555      2.980693
  N      -2.620143      1.956667      1.591653
  H      -3.550807      2.532782      1.241786
  H      -2.645939      1.009260      1.177007
  H      -1.774181      2.444496      1.245559
91
Coordinates from ORCA-job orca E -6725.195131264192
  N      -2.440552      0.077646      5.444606
  Mo     -3.170762      1.853147      4.678552
  N      -4.691427      2.070081      6.101950
  C      -4.281912      2.754194      7.337106
  C      -2.895908      2.308188      7.762377
  N      -1.924669      2.330172      6.626667
  C      -0.900054      1.258666      6.788063
  C      -1.533743     -0.100217      6.561236
  C      -1.248015      3.648633      6.458429
  C      -2.189568      4.666108      5.845295
  N      -2.959128      3.955657      4.840058
  H      -0.752456     -0.837471      6.329881
  H      -2.079732     -0.461853      7.445160
  H      -0.135089      1.436019      6.022728
  H      -0.422107      1.321887      7.777550
  H      -2.846157      5.141549      6.587496
  H      -1.612368      5.482263      5.380843
  H      -0.844751      3.987749      7.422702
  H      -0.407688      3.481730      5.774395
  H      -4.990344      2.529772      8.149619
  H      -4.319025      3.841738      7.175180
  H      -2.959090      1.272532      8.121696
  H      -2.515640      2.931081      8.587077
  C      -6.717282      4.020602     -0.113307
  C      -5.795898      3.045631      0.566710
  O      -4.608706      3.393193      0.816259
  C      -6.288561      1.705064      0.965294
  C      -7.346184      1.042947      0.311759
  C      -7.690310     -0.246618      0.694127
  C      -7.009655     -0.872656      1.751114
  F      -7.374629     -2.114305      2.071075
  C      -5.975061     -0.224691      2.461432
  C      -5.245861     -0.863083      3.611543
  O      -5.478080     -2.012927      4.017302
  N      -4.191248     -0.115191      4.183469
  C      -3.370917     -0.742102      5.022489
  C      -5.651433      1.063190      2.033173
  C      -6.466317     10.707688     -1.044616
  C      -6.336594      9.328084     -0.440751
  O      -6.754152      8.342548     -1.032773
  C      -5.678883      9.183533      0.894993
  C      -5.058630     10.252709      1.556553
  C      -4.445962     10.051711      2.789441
  C      -4.445168      8.779805      3.360139
  F      -3.859558      8.641383      4.566720
  C      -5.061644      7.685758      2.740332
  C      -5.125250      6.287582      3.274855
  O      -6.073228      5.564138      2.969376
  N      -4.054872      5.892663      4.076473
  C      -3.858025      4.598656      4.089792
  C      -5.680173      7.926881      1.508694
  C     -12.616399     -0.876179      1.268745
  C     -11.560192     -1.003298      2.330261
  O     -11.423137     -2.052153      2.957768
  C     -10.679052      0.183044      2.609772
  C     -10.762110      1.389025      1.888322
  C      -9.904394      2.438814      2.187786
  C      -8.957505      2.286978      3.193168
  F      -8.149447      3.330955      3.473134
  C      -8.847599      1.108989      3.943998
  C      -7.885133      0.910303      5.074817
  O      -8.184783      0.208180      6.000502
  N      -6.633075      1.471460      4.922929
  C      -6.007131      1.774420      6.029822
  C      -9.736873      0.075943      3.639252
  H      -7.544682      4.276089      0.596266
  H      -6.166812      4.928009     -0.394648
  H      -7.191737      3.591016     -1.020969
  H      -7.877045      1.521086     -0.514780
  H      -8.480868     -0.790089      0.192021
  H      -3.464582     -1.792462      5.312642
  H      -4.901919      1.610913      2.611058
  H      -7.007937     11.378442     -0.368332
  H      -5.475687     11.149003     -1.213023
  H      -6.997876     10.644033     -1.998516
  H      -5.048671     11.249563      1.113563
  H      -3.969084     10.867868      3.324725
  H      -4.460480      3.943053      3.439533
  H      -6.178430      7.099477      1.012636
  H     -13.177237     -1.803679      1.220925
  H     -12.156986     -0.666814      0.294034
  H     -13.316251     -0.041031      1.493066
  H     -11.515686      1.532916      1.077637
  H      -9.972940      3.387128      1.669808
  H      -6.561575      1.821692      6.986244
  H      -9.685934     -0.839917      4.213152
  N      -2.602307      1.861883      2.987471
  N      -2.658385      1.980743      1.579737
  H      -3.556154      2.596377      1.255989
  H      -2.715419      1.060800      1.116078
  H      -1.811615      2.414359      1.220175
91
Coordinates from ORCA-job orca E -6725.200220917963
  N      -2.428463      0.074972      5.444534
  Mo     -3.169240      1.850435      4.674638
  N      -4.690699      2.064546      6.101100
  C      -4.284541      2.753050      7.334842
  C      -2.895577      2.312326      7.759775
  N      -1.924885      2.337704      6.623733
  C      -0.890059      1.272243      6.785179
  C      -1.514309     -0.096251      6.557721
  C      -1.255363      3.662411      6.455008
  C      -2.205084      4.673487      5.839433
  N      -2.969146      3.955866      4.831532
  H      -0.724881     -0.828259      6.322756
  H      -2.056343     -0.465280      7.443482
  H      -0.125106      1.455845      6.019692
  H      -0.410236      1.341652      7.774705
  H      -2.867857      5.146128      6.580458
  H      -1.632821      5.494574      5.376465
  H      -0.853791      4.007131      7.420667
  H      -0.411751      3.499078      5.771795
  H      -4.991360      2.524852      8.147777
  H      -4.327968      3.840562      7.172747
  H      -2.954835      1.276804      8.119586
  H      -2.515961      2.937293      8.583859
  C      -6.728514      4.004175     -0.077008
  C      -5.803320      3.045856      0.581310
  O      -4.625802      3.409904      0.807091
  C      -6.271959      1.701907      0.977739
  C      -7.323795      1.036603      0.323948
  C      -7.666449     -0.251639      0.700119
  C      -6.992425     -0.875369      1.749866
  F      -7.367502     -2.113588      2.066143
  C      -5.962752     -0.231543      2.460883
  C      -5.254685     -0.875045      3.605593
  O      -5.526391     -2.005561      4.006670
  N      -4.193655     -0.130710      4.180900
  C      -3.365812     -0.751634      5.023341
  C      -5.637387      1.056807      2.042202
  C      -6.480398     10.696723     -1.037097
  C      -6.372454      9.315919     -0.427521
  O      -6.827244      8.325157     -1.001501
  C      -5.692276      9.177792      0.895901
  C      -5.045006     10.247208      1.540203
  C      -4.416466     10.050707      2.763427
  C      -4.426337      8.782555      3.341129
  F      -3.824393      8.648553      4.538428
  C      -5.068218      7.688309      2.737207
  C      -5.142526      6.291588      3.276883
  O      -6.098733      5.572053      2.975413
  N      -4.069683      5.891887      4.072801
  C      -3.870036      4.595989      4.079112
  C      -5.702699      7.925434      1.516006
  C     -12.623115     -0.825125      1.225652
  C     -11.574531     -0.980697      2.308372
  O     -11.452098     -2.035056      2.929360
  C     -10.682999      0.192275      2.605928
  C     -10.759456      1.401850      1.896196
  C      -9.901866      2.455422      2.197941
  C      -8.950102      2.281321      3.207312
  F      -8.137918      3.318091      3.487331
  C      -8.845333      1.094929      3.950219
  C      -7.883780      0.881566      5.084432
  O      -8.198121      0.159313      6.026985
  N      -6.627953      1.458336      4.926812
  C      -6.002952      1.764932      6.028192
  C      -9.742276      0.072903      3.633338
  H      -7.538859      4.258546      0.624430
  H      -6.192120      4.915946     -0.357803
  H      -7.200102      3.555444     -0.964947
  H      -7.855962      1.512868     -0.496346
  H      -8.460067     -0.796689      0.199627
  H      -3.458513     -1.804585      5.315818
  H      -4.902755      1.600514      2.629662
  H      -6.995353     11.391287     -0.352573
  H      -5.478869     11.117608     -1.231967
  H      -7.033134     10.630710     -1.977309
  H      -5.027651     11.240831      1.091548
  H      -3.918791     10.867909      3.286426
  H      -4.467211      3.938419      3.423571
  H      -6.221984      7.097805      1.032973
  H     -13.200698     -1.755076      1.150631
  H     -12.159736     -0.608682      0.249395
  H     -13.294789      0.015586      1.453654
  H     -11.492231      1.523605      1.114395
  H      -9.970945      3.419187      1.680663
  H      -6.557870      1.812956      6.982566
  H      -9.694817     -0.855860      4.204474
  N      -2.589217      1.857560      2.984320
  N      -2.636305      1.968897      1.590146
  H      -3.563777      2.553229      1.250391
  H      -2.666645      1.029126      1.160977
  H      -1.787500      2.449998      1.233636
91
Coordinates from ORCA-job orca E -6725.194893221140
  N      -2.431934      0.063318      5.455226
  Mo     -3.165377      1.837722      4.661450
  N      -4.694180      2.077515      6.082607
  C      -4.292759      2.774426      7.314804
  C      -2.907028      2.329416      7.752867
  N      -1.931607      2.338303      6.619476
  C      -0.896953      1.269594      6.795869
  C      -1.522704     -0.099470      6.574347
  C      -1.258637      3.657315      6.444094
  C      -2.205988      4.666466      5.812260
  N      -2.966018      3.944320      4.799089
  H      -0.735930     -0.836501      6.350300
  H      -2.067389     -0.456821      7.459572
  H      -0.127420      1.443697      6.032315
  H      -0.420524      1.348840      7.789852
  H      -2.875153      5.146829      6.547921
  H      -1.629770      5.481718      5.347026
  H      -0.860779      4.010234      7.413276
  H      -0.410322      3.484136      5.766715
  H      -5.005544      2.555486      8.127053
  H      -4.329766      3.860949      7.143994
  H      -2.973074      1.299913      8.123565
  H      -2.525942      2.958563      8.573259
  C      -6.725990      3.974012     -0.079916
  C      -5.785511      3.014104      0.599375
  O      -4.617276      3.378594      0.848215
  C      -6.235582      1.673612      0.981350
  C      -7.305322      1.003287      0.323992
  C      -7.656692     -0.287045      0.703152
  C      -6.968143     -0.912344      1.752999
  F      -7.364474     -2.151171      2.080642
  C      -5.923514     -0.265823      2.465330
  C      -5.217977     -0.904864      3.619370
  O      -5.446932     -2.021347      3.999542
  N      -4.183527     -0.167294      4.188457
  C      -3.366884     -0.778397      5.037428
  C      -5.596480      1.027668      2.047256
  C      -6.518236     10.761075     -1.013615
  C      -6.349887      9.380607     -0.445526
  O      -6.755021      8.408554     -1.060358
  C      -5.680414      9.220099      0.892663
  C      -5.069366     10.281549      1.581488
  C      -4.447958     10.064379      2.814265
  C      -4.433599      8.784359      3.360273
  F      -3.846695      8.629567      4.570535
  C      -5.044562      7.698286      2.714185
  C      -5.108285      6.291644      3.225232
  O      -6.064531      5.571481      2.900135
  N      -4.040881      5.884730      4.029611
  C      -3.856507      4.584976      4.035079
  C      -5.666192      7.954647      1.480948
  C     -12.650123     -0.816699      1.261168
  C     -11.590975     -0.956990      2.322174
  O     -11.451006     -1.996796      2.939831
  C     -10.692375      0.189064      2.613563
  C     -10.776927      1.405018      1.901414
  C      -9.910231      2.450766      2.201011
  C      -8.961007      2.297548      3.185595
  F      -8.160971      3.362828      3.435958
  C      -8.853476      1.113869      3.925502
  C      -7.888038      0.910956      5.046028
  O      -8.214961      0.173700      6.019365
  N      -6.631028      1.483133      4.899405
  C      -6.005716      1.791191      5.999286
  C      -9.738558      0.060984      3.636263
  H      -7.552117      4.213137      0.602948
  H      -6.203481      4.889242     -0.353727
  H      -7.173356      3.536189     -0.977062
  H      -7.858214      1.479278     -0.492314
  H      -8.481213     -0.834243      0.209007
  H      -3.463019     -1.836330      5.345429
  H      -4.869573      1.573080      2.642752
  H      -7.068384     11.401335     -0.317341
  H      -5.539363     11.225959     -1.170454
  H      -7.059104     10.705559     -1.972910
  H      -5.073131     11.285130      1.158598
  H      -3.976985     10.875398      3.370982
  H      -4.453607      3.927088      3.375324
  H      -6.161198      7.131499      0.964028
  H     -13.229215     -1.747833      1.195469
  H     -12.177089     -0.601648      0.292018
  H     -13.330449      0.014116      1.486432
  H     -11.539260      1.564245      1.099380
  H      -9.977426      3.401451      1.692541
  H      -6.563254      1.854852      6.946823
  H      -9.690305     -0.870088      4.205944
  N      -2.571540      1.821319      2.991535
  N      -2.611236      1.915695      1.608002
  H      -3.528618      2.493642      1.259640
  H      -2.646338      0.969589      1.190357
  H      -1.771497      2.387258      1.268096
91
Coordinates from ORCA-job orca E -6725.200826129205
  N      -2.435285      0.074252      5.449628
  Mo     -3.170128      1.849042      4.673120
  N      -4.692828      2.069669      6.098376
  C      -4.287601      2.756057      7.332659
  C      -2.899278      2.316170      7.756276
  N      -1.930325      2.339404      6.618546
  C      -0.895486      1.275655      6.782774
  C      -1.519031     -0.092735      6.560863
  C      -1.261474      3.661750      6.447322
  C      -2.210670      4.671306      5.831676
  N      -2.972917      3.955066      4.822005
  H      -0.731321     -0.824603      6.326401
  H      -2.057333     -0.458310      7.449335
  H      -0.132290      1.457241      6.015420
  H      -0.415074      1.349729      7.771812
  H      -2.873598      5.142043      6.573502
  H      -1.639638      5.492537      5.369327
  H      -0.859348      4.006338      7.412747
  H      -0.419689      3.497451      5.762829
  H      -4.993899      2.525350      8.145614
  H      -4.331647      3.843082      7.172553
  H      -2.958496      1.282498      8.117843
  H      -2.517846      2.940792      8.578770
  C      -6.738128      3.988924     -0.087682
  C      -5.803271      3.032197      0.576970
  O      -4.625995      3.399517      0.810148
  C      -6.256102      1.686360      0.967680
  C      -7.310675      1.017420      0.313676
  C      -7.657880     -0.271094      0.693498
  C      -6.984272     -0.892635      1.745990
  F      -7.375122     -2.128613      2.072125
  C      -5.952776     -0.246449      2.456962
  C      -5.254856     -0.888240      3.606603
  O      -5.503884     -2.019505      3.996892
  N      -4.202367     -0.141177      4.185793
  C      -3.373050     -0.758101      5.029492
  C      -5.623249      1.042565      2.034593
  C      -6.477311     10.722184     -1.025311
  C      -6.350037      9.340905     -0.429761
  O      -6.791076      8.354043     -1.015774
  C      -5.679033      9.196519      0.900152
  C      -5.045271     10.264226      1.560257
  C      -4.423907     10.061722      2.788140
  C      -4.428593      8.789537      3.355446
  F      -3.835928      8.649582      4.558694
  C      -5.058756      7.697080      2.736285
  C      -5.131210      6.297231      3.265891
  O      -6.086677      5.577820      2.958518
  N      -4.061852      5.894247      4.063579
  C      -3.868327      4.597562      4.065634
  C      -5.684932      7.939801      1.510117
  C     -12.628700     -0.839577      1.253110
  C     -11.575742     -0.983048      2.324956
  O     -11.444955     -2.028607      2.950754
  C     -10.686119      0.188868      2.609539
  C     -10.762489      1.392726      1.892286
  C      -9.904431      2.449582      2.187539
  C      -8.954857      2.287334      3.195684
  F      -8.146970      3.335034      3.465424
  C      -8.851084      1.107799      3.944388
  C      -7.889435      0.903272      5.079109
  O      -8.204751      0.182897      6.032360
  N      -6.633249      1.474531      4.921951
  C      -6.005570      1.778985      6.022260
  C      -9.744230      0.074460      3.638454
  H      -7.556726      4.235245      0.608565
  H      -6.206174      4.905896     -0.368459
  H      -7.200363      3.542563     -0.978830
  H      -7.849088      1.492405     -0.505967
  H      -8.461724     -0.817444      0.196872
  H      -3.468733     -1.813281      5.325646
  H      -4.894181      1.587732      2.624442
  H      -7.005066     11.399437     -0.337230
  H      -5.483295     11.158699     -1.206952
  H      -7.024132     10.658332     -1.971667
  H      -5.032372     11.261111      1.119890
  H      -3.936655     10.877389      3.323231
  H      -4.464701      3.942566      3.404252
  H      -6.194554      7.112933      1.014783
  H     -13.201585     -1.765712      1.192445
  H     -12.165687     -0.628516      0.276481
  H     -13.307470     -0.002246      1.477260
  H     -11.505088      1.524417      1.097689
  H      -9.970758      3.404664      1.667802
  H      -6.560055      1.831942      6.975282
  H      -9.698157     -0.850662      4.214618
  N      -2.585321      1.847415      2.982977
  N      -2.627056      1.954193      1.588994
  H      -3.545437      2.538834      1.243674
  H      -2.660854      1.015479      1.159145
  H      -1.778041      2.427344      1.240344
91
Coordinates from ORCA-job orca E -6725.198260640096
  N      -2.394995      0.059465      5.448173
  Mo     -3.163650      1.831633      4.663739
  N      -4.687218      2.047118      6.094455
  C      -4.284783      2.745742      7.329036
  C      -2.888739      2.312564      7.753593
  N      -1.917562      2.343727      6.612718
  C      -0.859294      1.289867      6.771886
  C      -1.462897     -0.095066      6.550579
  C      -1.268246      3.683033      6.442694
  C      -2.244141      4.678381      5.825624
  N      -2.995385      3.947496      4.808673
  H      -0.657608     -0.816063      6.306805
  H      -1.991656     -0.475790      7.442865
  H      -0.095139      1.481561      6.002141
  H      -0.374354      1.371691      7.759416
  H      -2.922299      5.142206      6.566582
  H      -1.683639      5.512225      5.366293
  H      -0.870722      4.039897      7.409903
  H      -0.416304      3.529835      5.759951
  H      -4.988661      2.512493      8.146286
  H      -4.340076      3.834265      7.164988
  H      -2.940985      1.275065      8.115574
  H      -2.510764      2.943031      8.577663
  C      -6.736997      3.963715     -0.017005
  C      -5.825192      3.005832      0.650866
  O      -4.652021      3.359793      0.885987
  C      -6.309883      1.665772      1.044270
  C      -7.376752      1.007303      0.395489
  C      -7.707187     -0.284214      0.766303
  C      -7.001012     -0.917393      1.800852
  F      -7.349521     -2.162876      2.104890
  C      -5.959567     -0.277225      2.507355
  C      -5.208812     -0.919355      3.641799
  O      -5.466357     -2.058670      4.034414
  N      -4.156453     -0.170384      4.208821
  C      -3.322454     -0.776387      5.044922
  C      -5.658981      1.016464      2.100042
  C      -6.470901     10.753265     -1.053255
  C      -6.360181      9.369676     -0.450406
  O      -6.802580      8.387761     -1.037866
  C      -5.684786      9.217222      0.879537
  C      -5.037959     10.277845      1.535153
  C      -4.412790     10.067060      2.762313
  C      -4.427404      8.793470      3.333725
  F      -3.829972      8.645086      4.534201
  C      -5.070390      7.708284      2.719395
  C      -5.153233      6.305915      3.249011
  O      -6.121978      5.600641      2.942356
  N      -4.085787      5.891318      4.053534
  C      -3.890814      4.591342      4.050868
  C      -5.699857      7.959431      1.493618
  C     -12.631655     -0.779317      1.170808
  C     -11.585176     -0.949472      2.254606
  O     -11.471365     -2.019516      2.857339
  C     -10.679915      0.205540      2.578073
  C     -10.758542      1.435373      1.890547
  C      -9.892428      2.470761      2.207315
  C      -8.941031      2.281487      3.194975
  F      -8.127768      3.308930      3.480914
  C      -8.832202      1.072728      3.919360
  C      -7.872251      0.841647      5.042101
  O      -8.203729      0.112090      5.966459
  N      -6.611749      1.429191      4.902720
  C      -6.000425      1.743355      6.011439
  C      -9.732445      0.058887      3.595746
  H      -7.543762      4.222541      0.673949
  H      -6.199501      4.867697     -0.290788
  H      -7.207619      3.507894     -0.907042
  H      -7.925982      1.489718     -0.415548
  H      -8.506564     -0.826253      0.269530
  H      -3.398345     -1.825280      5.350178
  H      -4.925759      1.564868      2.691053
  H      -6.995436     11.436509     -0.370520
  H      -5.471339     11.179220     -1.230965
  H      -7.015077     10.696561     -2.003590
  H      -5.016839     11.276032      1.091230
  H      -3.914554     10.877517      3.293566
  H      -4.477902      3.937482      3.386201
  H      -6.220490      7.139033      1.002045
  H     -13.221849     -1.715121      1.068125
  H     -12.153551     -0.548785      0.206237
  H     -13.303109      0.061696      1.409198
  H     -11.494981      1.575250      1.120252
  H      -9.960902      3.443105      1.709884
  H      -6.566542      1.794977      6.958346
  H      -9.685704     -0.880836      4.149111
  N      -2.586578      1.839566      2.994974
  N      -2.649403      1.957331      1.607965
  H      -3.591204      2.535146      1.291012
  H      -2.676644      1.014542      1.179566
  H      -1.816346      2.451245      1.239907
91
Coordinates from ORCA-job orca E -6725.201133054660
  N      -2.423531      0.068650      5.455831
  Mo     -3.171223      1.838038      4.675917
  N      -4.689288      2.055384      6.106378
  C      -4.282011      2.742776      7.340594
  C      -2.888276      2.309113      7.755845
  N      -1.925146      2.339837      6.611993
  C      -0.879164      1.283283      6.770959
  C      -1.493902     -0.091622      6.557246
  C      -1.267884      3.669809      6.437402
  C      -2.231551      4.671118      5.828355
  N      -2.990430      3.949049      4.818454
  H      -0.700837     -0.817250      6.314157
  H      -2.020504     -0.462793      7.451595
  H      -0.121526      1.468864      5.997927
  H      -0.392157      1.363259      7.756152
  H      -2.897085      5.134528      6.573381
  H      -1.670194      5.500328      5.366521
  H      -0.862250      4.018173      7.400128
  H      -0.427693      3.512856      5.748094
  H      -4.982636      2.505963      8.157054
  H      -4.334483      3.830255      7.183308
  H      -2.940189      1.273359      8.115671
  H      -2.505240      2.935110      8.577396
  C      -6.747701      3.965809     -0.068324
  C      -5.812701      3.012067      0.591457
  O      -4.635946      3.383831      0.813536
  C      -6.274441      1.666198      0.993753
  C      -7.330771      0.995251      0.346557
  C      -7.670905     -0.293847      0.730099
  C      -6.988355     -0.913649      1.779470
  F      -7.363389     -2.152003      2.104666
  C      -5.954187     -0.264234      2.483791
  C      -5.237859     -0.902307      3.627870
  O      -5.484938     -2.035109      4.022331
  N      -4.192796     -0.148713      4.204553
  C      -3.362616     -0.764721      5.045748
  C      -5.634734      1.025733      2.059287
  C      -6.476619     10.730855     -1.029850
  C      -6.366909      9.347690     -0.430678
  O      -6.816882      8.363729     -1.015255
  C      -5.689542      9.199194      0.895299
  C      -5.045830     10.263158      1.551180
  C      -4.420793     10.057575      2.776535
  C      -4.431555      8.785877      3.345191
  F      -3.834260      8.643018      4.545392
  C      -5.070165      7.696942      2.729618
  C      -5.147830      6.297131      3.259776
  O      -6.105956      5.582521      2.948851
  N      -4.081191      5.890480      4.061676
  C      -3.885632      4.593356      4.061437
  C      -5.700148      7.942811      1.506020
  C     -12.611330     -0.796958      1.206039
  C     -11.564617     -0.954128      2.286734
  O     -11.440553     -2.006565      2.901857
  C     -10.673051      0.211504      2.590024
  C     -10.748054      1.426570      1.884246
  C      -9.887400      2.474087      2.194680
  C      -8.941860      2.300463      3.200806
  F      -8.135282      3.345614      3.482104
  C      -8.840882      1.112806      3.936512
  C      -7.881919      0.894551      5.071329
  O      -8.201370      0.166498      6.015541
  N      -6.625074      1.465064      4.923736
  C      -6.002834      1.765006      6.028801
  C      -9.733278      0.083552      3.619893
  H      -7.556390      4.210396      0.637369
  H      -6.219990      4.883395     -0.354635
  H      -7.220588      3.517011     -0.954570
  H      -7.870557      1.468559     -0.473134
  H      -8.469612     -0.842368      0.236268
  H      -3.452501     -1.818861      5.343152
  H      -4.902081      1.574647      2.644289
  H      -6.996049     11.417135     -0.342581
  H      -5.476114     11.155213     -1.214738
  H      -7.025276     10.671665     -1.974807
  H      -5.028641     11.259782      1.109825
  H      -3.926050     10.870520      3.308584
  H      -4.478263      3.942076      3.397237
  H      -6.217766      7.119067      1.013969
  H     -13.188252     -1.726294      1.126215
  H     -12.142326     -0.575808      0.234664
  H     -13.285641      0.039447      1.434656
  H     -11.484799      1.561776      1.095153
  H      -9.950961      3.435153      1.685269
  H      -6.560657      1.815342      6.981054
  H      -9.688525     -0.847657      4.185845
  N      -2.597226      1.843072      2.989211
  N      -2.649848      1.961126      1.595202
  H      -3.582055      2.545910      1.260701
  H      -2.679255      1.022216      1.161346
  H      -1.806820      2.441094      1.238915
91
Coordinates from ORCA-job orca E -6725.200475990170
  N      -2.374742      0.087414      5.451254
  Mo     -3.158515      1.840965      4.673344
  N      -4.684684      2.020686      6.101021
  C      -4.294416      2.706165      7.341876
  C      -2.890681      2.304479      7.754953
  N      -1.928901      2.364912      6.610970
  C      -0.857700      1.334408      6.766474
  C      -1.440365     -0.054049      6.550316
  C      -1.306354      3.710953      6.442354
  C      -2.295433      4.689919      5.837418
  N      -3.034246      3.956941      4.820240
  H      -0.631773     -0.760496      6.303254
  H      -1.955980     -0.438747      7.444756
  H      -0.105714      1.539358      5.992902
  H      -0.372317      1.424855      7.751510
  H      -2.973531      5.131441      6.584539
  H      -1.755241      5.535720      5.381766
  H      -0.909323      4.065136      7.407015
  H      -0.462765      3.577941      5.751590
  H      -4.989343      2.445429      8.156034
  H      -4.373666      3.793168      7.193919
  H      -2.916974      1.266426      8.109375
  H      -2.522704      2.935314      8.579908
  C      -6.884457      3.905397     -0.002207
  C      -5.904470      2.989662      0.643357
  O      -4.755742      3.422058      0.899093
  C      -6.297963      1.615713      1.014152
  C      -7.319224      0.908861      0.349471
  C      -7.607364     -0.397121      0.714664
  C      -6.905670     -1.000246      1.760643
  F      -7.236505     -2.253772      2.073600
  C      -5.900734     -0.319289      2.476790
  C      -5.164898     -0.944052      3.615311
  O      -5.368953     -2.093043      3.990093
  N      -4.137732     -0.166003      4.197378
  C      -3.291916     -0.766476      5.034223
  C      -5.634102      0.988223      2.072053
  C      -6.359896     10.741253     -1.083734
  C      -6.284385      9.358739     -0.478249
  O      -6.733180      8.379683     -1.071434
  C      -5.651635      9.205739      0.868950
  C      -5.018459     10.264655      1.542994
  C      -4.431175     10.054288      2.786029
  C      -4.467858      8.782405      3.353709
  F      -3.903492      8.634286      4.569155
  C      -5.097352      7.698189      2.720290
  C      -5.189885      6.296464      3.244097
  O      -6.138319      5.581022      2.906707
  N      -4.138928      5.888121      4.064269
  C      -3.929162      4.593661      4.056412
  C      -5.691393      7.949559      1.479867
  C     -12.658038     -0.689490      1.191089
  C     -11.570765     -0.904948      2.220577
  O     -11.401997     -2.000283      2.746076
  C     -10.692761      0.256158      2.581152
  C     -10.804698      1.511698      1.958249
  C      -9.951371      2.551719      2.311521
  C      -8.977372      2.329111      3.282241
  F      -8.171723      3.362199      3.604146
  C      -8.843393      1.099960      3.942447
  C      -7.860344      0.830352      5.044816
  O      -8.161165      0.064471      5.962163
  N      -6.613399      1.426371      4.906664
  C      -5.993765      1.712551      6.016833
  C      -9.726886      0.079401      3.578502
  H      -7.703966      4.094639      0.707562
  H      -6.405394      4.853021     -0.268456
  H      -7.332699      3.448190     -0.897253
  H      -7.876114      1.370905     -0.464943
  H      -8.382491     -0.971462      0.210996
  H      -3.358386     -1.823507      5.326532
  H      -4.929154      1.559967      2.668690
  H      -6.889666     11.435600     -0.413456
  H      -5.350116     11.152284     -1.240966
  H      -6.881877     10.686179     -2.044146
  H      -4.978740     11.260762      1.101483
  H      -3.944354     10.863035      3.331526
  H      -4.501741      3.943288      3.373388
  H      -6.199667      7.129923      0.972545
  H     -13.215431     -1.622918      1.056851
  H     -12.228747     -0.380359      0.225317
  H     -13.343981      0.109935      1.508675
  H     -11.561943      1.682833      1.196393
  H     -10.039313      3.541736      1.861364
  H      -6.553354      1.742672      6.968647
  H      -9.652844     -0.885664      4.081262
  N      -2.577837      1.861792      2.988144
  N      -2.620165      1.975287      1.593631
  H      -3.574715      2.515152      1.243366
  H      -2.600024      1.036411      1.161617
  H      -1.794986      2.493121      1.247384
91
Coordinates from ORCA-job orca E -6725.201657145390
  N      -2.316242      0.125712      5.409939
  Mo     -3.169517      1.861313      4.668976
  N      -4.685090      1.960510      6.116733
  C      -4.305475      2.631017      7.368881
  C      -2.881171      2.278569      7.754954
  N      -1.940112      2.397389      6.597720
  C      -0.828189      1.408738      6.721331
  C      -1.361309      0.002980      6.491544
  C      -1.375986      3.767513      6.444353
  C      -2.412711      4.716245      5.871345
  N      -3.137514      3.979600      4.846021
  H      -0.532851     -0.668804      6.219513
  H      -1.846176     -0.412305      7.387702
  H      -0.097270      1.653301      5.939514
  H      -0.332600      1.505392      7.700947
  H      -3.096413      5.114921      6.637728
  H      -1.913967      5.590788      5.426137
  H      -0.977811      4.120062      7.410482
  H      -0.539324      3.679351      5.737111
  H      -4.977966      2.324190      8.186160
  H      -4.430290      3.716599      7.247201
  H      -2.860560      1.235763      8.091025
  H      -2.525357      2.908524      8.586130
  C      -6.943225      3.850898      0.055815
  C      -5.928230      2.925461      0.637255
  O      -4.768723      3.346575      0.860376
  C      -6.297552      1.551807      1.004421
  C      -7.332528      0.837806      0.365731
  C      -7.599705     -0.470033      0.737084
  C      -6.863225     -1.066067      1.763372
  F      -7.182752     -2.319767      2.090259
  C      -5.847692     -0.374858      2.455851
  C      -5.082149     -0.987828      3.578369
  O      -5.232349     -2.150510      3.930710
  N      -4.080928     -0.177283      4.168915
  C      -3.199803     -0.758400      4.981698
  C      -5.600788      0.932532      2.043463
  C      -6.167613     10.695512     -1.179948
  C      -6.166414      9.331534     -0.533671
  O      -6.628209      8.355270     -1.117738
  C      -5.602229      9.194575      0.846272
  C      -4.965706     10.250746      1.521424
  C      -4.435375     10.054008      2.792854
  C      -4.530986      8.797538      3.387725
  F      -4.015627      8.661702      4.627148
  C      -5.168169      7.717017      2.755000
  C      -5.305107      6.327169      3.300885
  O      -6.253379      5.619858      2.945534
  N      -4.266195      5.906395      4.127236
  C      -4.044305      4.615337      4.095353
  C      -5.706126      7.955605      1.485660
  C     -12.699370     -0.580318      1.182102
  C     -11.582917     -0.854252      2.162958
  O     -11.384336     -1.984489      2.599453
  C     -10.709549      0.290904      2.582721
  C     -10.832554      1.575504      2.030455
  C      -9.976850      2.599735      2.424372
  C      -8.991504      2.329117      3.372954
  F      -8.172402      3.339358      3.728608
  C      -8.849905      1.067896      3.970862
  C      -7.854184      0.749912      5.046450
  O      -8.143613     -0.056366      5.931996
  N      -6.613613      1.365336      4.922089
  C      -5.986725      1.623904      6.034637
  C      -9.732861      0.065141      3.558891
  H      -7.728174      4.026972      0.809285
  H      -6.482601      4.802296     -0.214799
  H      -7.434612      3.406935     -0.822356
  H      -7.917292      1.295142     -0.432110
  H      -8.389133     -1.052265      0.255354
  H      -3.223196     -1.823580      5.252990
  H      -4.885194      1.510696      2.619603
  H      -6.698538     11.425541     -0.553261
  H      -5.140430     11.065100     -1.303220
  H      -6.649874     10.630914     -2.161969
  H      -4.875911     11.233400      1.057322
  H      -3.945185     10.860752      3.338256
  H      -4.601124      3.978332      3.385030
  H      -6.212251      7.137245      0.974431
  H     -13.244247     -1.507046      0.992743
  H     -12.298381     -0.191021      0.233459
  H     -13.392996      0.181841      1.577941
  H     -11.599764      1.786078      1.281156
  H     -10.064769      3.610049      2.017984
  H      -6.538798      1.620221      6.990169
  H      -9.649698     -0.925960      4.007277
  N      -2.606413      1.934117      2.977164
  N      -2.657400      2.074594      1.587329
  H      -3.620734      2.591035      1.251605
  H      -2.609892      1.149527      1.133334
  H      -1.849618      2.626139      1.255337
91
Coordinates from ORCA-job orca E -6725.201585203040
  N      -2.371733      0.104331      5.423085
  Mo     -3.191801      1.848011      4.665951
  N      -4.696522      1.992682      6.119813
  C      -4.298926      2.670095      7.361961
  C      -2.878575      2.296577      7.742274
  N      -1.942748      2.382751      6.577717
  C      -0.848904      1.373834      6.706048
  C      -1.410165     -0.024541      6.498250
  C      -1.353581      3.740039      6.402187
  C      -2.375254      4.701158      5.825749
  N      -3.121214      3.967156      4.813486
  H      -0.597070     -0.715342      6.227925
  H      -1.895245     -0.419560      7.404005
  H      -0.120127      1.594867      5.915624
  H      -0.344018      1.473540      7.680421
  H      -3.044266      5.120864      6.592815
  H      -1.863479      5.561606      5.366808
  H      -0.941322      4.096972      7.359712
  H      -0.525217      3.627258      5.689802
  H      -4.971241      2.383006      8.186270
  H      -4.405893      3.756371      7.229769
  H      -2.874649      1.257626      8.091574
  H      -2.505081      2.929855      8.562455
  C      -6.901126      3.937567      0.073391
  C      -5.923632      2.978616      0.669257
  O      -4.733229      3.339778      0.830136
  C      -6.348088      1.624256      1.063344
  C      -7.428542      0.950592      0.456409
  C      -7.732695     -0.349435      0.831615
  C      -6.990080     -0.976934      1.834445
  F      -7.328856     -2.229916      2.147749
  C      -5.937981     -0.321794      2.506647
  C      -5.166249     -0.965287      3.607067
  O      -5.351307     -2.117228      3.973302
  N      -4.147415     -0.175435      4.191752
  C      -3.274693     -0.766994      5.007892
  C      -5.652832      0.978383      2.088579
  C      -6.187399     10.813327     -1.109391
  C      -6.189668      9.436267     -0.491172
  O      -6.664813      8.474482     -1.089493
  C      -5.584753      9.263239      0.867268
  C      -4.922983     10.300435      1.547612
  C      -4.359608     10.073278      2.799340
  C      -4.447370      8.805003      3.368444
  F      -3.904689      8.640092      4.592553
  C      -5.106789      7.742065      2.728842
  C      -5.241096      6.342868      3.249836
  O      -6.229561      5.667100      2.947295
  N      -4.206906      5.911895      4.075906
  C      -4.012982      4.616190      4.055783
  C      -5.676936      8.010444      1.480163
  C     -12.609661     -0.818830      1.185595
  C     -11.523831     -1.007337      2.218583
  O     -11.347022     -2.092230      2.762705
  C     -10.658681      0.166542      2.563736
  C     -10.747595      1.395287      1.891507
  C      -9.901865      2.448622      2.227678
  C      -8.952975      2.259703      3.231753
  F      -8.148661      3.299898      3.534320
  C      -8.844283      1.056811      3.944401
  C      -7.891147      0.829255      5.080783
  O      -8.196781      0.056403      5.992364
  N      -6.634453      1.404022      4.938568
  C      -6.004698      1.681645      6.044499
  C      -9.724315      0.027293      3.595941
  H      -7.662313      4.182669      0.832540
  H      -6.394953      4.855962     -0.240039
  H      -7.432199      3.490843     -0.778857
  H      -8.012818      1.428032     -0.329764
  H      -8.549734     -0.903668      0.365723
  H      -3.318682     -1.829527      5.288972
  H      -4.898305      1.527337      2.642706
  H      -6.697539     11.536731     -0.456629
  H      -5.157307     11.174515     -1.245958
  H      -6.689754     10.774197     -2.081873
  H      -4.842142     11.292876      1.104136
  H      -3.852263     10.865786      3.350142
  H      -4.588931      3.986273      3.355983
  H      -6.203037      7.206038      0.965109
  H     -13.155972     -1.756778      1.066595
  H     -12.179364     -0.519431      0.217524
  H     -13.307769     -0.022332      1.489219
  H     -11.486662      1.543999      1.099131
  H      -9.973087      3.419550      1.736973
  H      -6.555529      1.702990      7.001127
  H      -9.677700     -0.914020      4.145125
  N      -2.638662      1.888100      2.968526
  N      -2.699230      2.005133      1.576829
  H      -3.671130      2.495527      1.247970
  H      -2.640984      1.073108      1.135587
  H      -1.904250      2.565402      1.229607
91
Coordinates from ORCA-job orca E -6725.202200406618
  N      -2.330906      0.118446      5.420421
  Mo     -3.177782      1.856504      4.678070
  N      -4.684142      1.965448      6.133324
  C      -4.296088      2.629205      7.386281
  C      -2.867706      2.275888      7.757257
  N      -1.936454      2.393403      6.591126
  C      -0.822205      1.402917      6.705030
  C      -1.359159     -0.004505      6.487574
  C      -1.373780      3.764986      6.428551
  C      -2.415874      4.712388      5.865163
  N      -3.148153      3.976246      4.842925
  H      -0.534785     -0.678390      6.205244
  H      -1.831406     -0.417311      7.393199
  H      -0.101209      1.644707      5.913039
  H      -0.314323      1.503298      7.677748
  H      -3.092194      5.109339      6.638233
  H      -1.921598      5.589423      5.416735
  H      -0.965630      4.120316      7.388195
  H      -0.545129      3.675855      5.712930
  H      -4.960970      2.315795      8.207148
  H      -4.423818      3.715758      7.273043
  H      -2.843939      1.232135      8.093451
  H      -2.502655      2.905563      8.584125
  C      -7.010498      3.832959      0.029405
  C      -5.996331      2.916614      0.624245
  O      -4.824546      3.331741      0.783658
  C      -6.371067      1.548764      1.032782
  C      -7.426280      0.832531      0.430583
  C      -7.687677     -0.472378      0.819467
  C      -6.927721     -1.063202      1.831937
  F      -7.226553     -2.321626      2.160602
  C      -5.896759     -0.368786      2.497517
  C      -5.104645     -0.985613      3.601379
  O      -5.253345     -2.145946      3.959918
  N      -4.103728     -0.177375      4.190429
  C      -3.220039     -0.762434      4.998832
  C      -5.654724      0.936429      2.066192
  C      -6.135514     10.760755     -1.158230
  C      -6.147073      9.390154     -0.524038
  O      -6.599358      8.417862     -1.123598
  C      -5.575062      9.236652      0.851058
  C      -4.941265     10.287432      1.536752
  C      -4.409707     10.079750      2.805676
  C      -4.500798      8.817109      3.386657
  F      -3.993009      8.672054      4.628019
  C      -5.131821      7.740795      2.741242
  C      -5.271087      6.346726      3.274635
  O      -6.240621      5.657848      2.942248
  N      -4.243066      5.919425      4.110857
  C      -4.035728      4.625455      4.079538
  C      -5.670515      7.989434      1.474747
  C     -12.640793     -0.654188      1.153336
  C     -11.517806     -0.902618      2.133653
  O     -11.303033     -2.024241      2.580982
  C     -10.663807      0.256059      2.549149
  C     -10.784584      1.530503      1.970893
  C      -9.944146      2.567289      2.364711
  C      -8.971567      2.319684      3.330555
  F      -8.178718      3.348081      3.694830
  C      -8.831813      1.069801      3.952229
  C      -7.853776      0.777076      5.051924
  O      -8.145259     -0.033095      5.934509
  N      -6.609684      1.383805      4.931991
  C      -5.989293      1.644108      6.047428
  C      -9.705118      0.055693      3.548714
  H      -7.768364      4.055372      0.796064
  H      -6.541034      4.768031     -0.295540
  H      -7.534689      3.358662     -0.812627
  H      -8.024320      1.282228     -0.361540
  H      -8.483462     -1.057234      0.359295
  H      -3.246406     -1.827855      5.269298
  H      -4.920446      1.516750      2.616385
  H      -6.668224     11.489027     -0.528039
  H      -5.103036     11.127161     -1.270611
  H      -6.610458     10.707575     -2.143263
  H      -4.859255     11.275986      1.084780
  H      -3.926488     10.883712      3.361486
  H      -4.598175      3.998622      3.368448
  H      -6.176676      7.174463      0.955454
  H     -13.174885     -1.593089      0.973137
  H     -12.248404     -0.267566      0.200228
  H     -13.341633      0.099298      1.542605
  H     -11.541804      1.724692      1.210225
  H     -10.038527      3.570080      1.948626
  H      -6.543516      1.634301      7.002856
  H      -9.631219     -0.923327      4.024238
  N      -2.621471      1.920976      2.984414
  N      -2.675209      2.061671      1.594706
  H      -3.637134      2.582863      1.274646
  H      -2.634202      1.134966      1.137596
  H      -1.868722      2.612537      1.258008
91
Coordinates from ORCA-job orca E -6725.201673094599
  N      -2.304521      0.126597      5.423473
  Mo     -3.197467      1.843273      4.683881
  N      -4.678263      1.930108      6.164593
  C      -4.282847      2.600451      7.411615
  C      -2.838375      2.282411      7.752429
  N      -1.934303      2.416940      6.565620
  C      -0.794724      1.452669      6.661702
  C      -1.304778      0.031497      6.467014
  C      -1.406960      3.800664      6.384028
  C      -2.482672      4.720195      5.838410
  N      -3.217848      3.965347      4.830548
  H      -0.472331     -0.626123      6.169062
  H      -1.745707     -0.385430      7.386840
  H      -0.097385      1.705096      5.851826
  H      -0.268133      1.572570      7.621996
  H      -3.152509      5.103037      6.624316
  H      -2.018706      5.608088      5.378626
  H      -0.986857      4.171049      7.332741
  H      -0.591729      3.726474      5.651138
  H      -4.923577      2.269513      8.244803
  H      -4.439038      3.684016      7.303556
  H      -2.782211      1.240592      8.091398
  H      -2.470290      2.923766      8.569074
  C      -7.027821      3.718298      0.061650
  C      -6.006680      2.850709      0.709230
  O      -4.893154      3.341777      1.006756
  C      -6.335867      1.456812      1.065220
  C      -7.322547      0.704723      0.395783
  C      -7.560857     -0.609594      0.767191
  C      -6.838100     -1.178446      1.818804
  F      -7.124634     -2.440424      2.141529
  C      -5.858694     -0.455866      2.529607
  C      -5.076891     -1.047247      3.651242
  O      -5.176614     -2.219969      3.991767
  N      -4.090388     -0.212221      4.227726
  C      -3.180148     -0.774867      5.021435
  C      -5.647611      0.860467      2.123522
  C      -6.107591     10.731669     -1.195798
  C      -6.135956      9.362761     -0.556793
  O      -6.593803      8.391814     -1.155138
  C      -5.596369      9.214154      0.831661
  C      -4.973552     10.266078      1.525228
  C      -4.471862     10.063372      2.806727
  C      -4.581738      8.804283      3.392429
  F      -4.102151      8.664017      4.645308
  C      -5.202368      7.726718      2.739189
  C      -5.359543      6.336620      3.279589
  O      -6.307368      5.638482      2.907301
  N      -4.329691      5.899695      4.108621
  C      -4.115577      4.606350      4.071367
  C      -5.711591      7.970687      1.459972
  C     -12.631821     -0.409904      1.069148
  C     -11.491851     -0.737125      2.006881
  O     -11.249486     -1.895682      2.331173
  C     -10.650349      0.388593      2.527244
  C     -10.784803      1.709297      2.065941
  C      -9.946000      2.712427      2.541704
  C      -8.970015      2.386709      3.479838
  F      -8.176076      3.381125      3.924207
  C      -8.819080      1.088406      3.990169
  C      -7.826232      0.712916      5.050546
  O      -8.112949     -0.134585      5.896546
  N      -6.595553      1.351082      4.964321
  C      -5.979397      1.593344      6.086085
  C      -9.682875      0.106897      3.498708
  H      -7.855200      3.861915      0.773554
  H      -6.599178      4.692261     -0.195394
  H      -7.452010      3.239033     -0.832814
  H      -7.896592      1.140945     -0.420752
  H      -8.313867     -1.216114      0.268177
  H      -3.179599     -1.839123      5.294893
  H      -4.964881      1.462660      2.715587
  H      -6.646184     11.465779     -0.576746
  H      -5.071223     11.092185     -1.293661
  H      -6.567426     10.677220     -2.187499
  H      -4.876841     11.251765      1.069583
  H      -3.997862     10.868462      3.368682
  H      -4.679085      3.977141      3.364058
  H      -6.210560      7.156302      0.934562
  H     -13.152712     -1.335710      0.798655
  H     -12.259526      0.079583      0.155909
  H     -13.339484      0.287283      1.541984
  H     -11.543715      1.961724      1.328507
  H     -10.040529      3.747223      2.208199
  H      -6.530122      1.561400      7.043289
  H      -9.586319     -0.913710      3.872366
  N      -2.673850      1.908564      2.979631
  N      -2.751405      2.038473      1.586856
  H      -3.731890      2.520657      1.265087
  H      -2.680381      1.110206      1.136514
  H      -1.968272      2.615124      1.235552
91
Coordinates from ORCA-job orca E -6725.203118561451
  N      -2.286753      0.126726      5.429905
  Mo     -3.187250      1.837940      4.688727
  N      -4.671805      1.915124      6.166696
  C      -4.281904      2.580647      7.417609
  C      -2.835426      2.272666      7.757215
  N      -1.933284      2.418308      6.570521
  C      -0.785309      1.464310      6.665152
  C      -1.283578      0.038862      6.470265
  C      -1.419886      3.807065      6.392086
  C      -2.504519      4.716833      5.848044
  N      -3.229246      3.959672      4.834089
  H      -0.446971     -0.611108      6.169090
  H      -1.717650     -0.382464      7.390765
  H      -0.091621      1.723387      5.854570
  H      -0.259157      1.589037      7.625132
  H      -3.179767      5.088254      6.634745
  H      -2.049929      5.611628      5.393527
  H      -1.003802      4.179259      7.342156
  H      -0.603915      3.742370      5.659020
  H      -4.920230      2.239680      8.248725
  H      -4.446218      3.663501      7.315966
  H      -2.770533      1.230894      8.092956
  H      -2.471822      2.914508      8.575385
  C      -7.054843      3.697777      0.059895
  C      -6.026574      2.815422      0.680159
  O      -4.881279      3.275012      0.896267
  C      -6.366889      1.435419      1.075016
  C      -7.392357      0.690181      0.457098
  C      -7.627199     -0.619176      0.847316
  C      -6.864638     -1.188465      1.870321
  F      -7.144407     -2.448692      2.207249
  C      -5.855370     -0.468539      2.541853
  C      -5.044940     -1.063261      3.642750
  O      -5.152386     -2.230480      3.996217
  N      -4.067530     -0.222706      4.227967
  C      -3.154632     -0.780829      5.023459
  C      -5.645173      0.842419      2.114268
  C      -6.109184     10.766916     -1.183957
  C      -6.134448      9.391727     -0.560030
  O      -6.594642      8.428287     -1.167557
  C      -5.593862      9.228295      0.826657
  C      -4.973642     10.273918      1.532233
  C      -4.470107     10.057975      2.811154
  C      -4.576119      8.791955      3.382276
  F      -4.093442      8.636962      4.632615
  C      -5.193947      7.720476      2.716821
  C      -5.343729      6.323503      3.240657
  O      -6.306929      5.635579      2.888001
  N      -4.328495      5.893746      4.090768
  C      -4.116812      4.600395      4.062241
  C      -5.705549      7.977342      1.440852
  C     -12.611533     -0.406671      1.043310
  C     -11.465880     -0.729158      1.974662
  O     -11.208379     -1.887912      2.286441
  C     -10.635692      0.400699      2.502603
  C     -10.772725      1.719990      2.040520
  C      -9.945259      2.728472      2.525726
  C      -8.974093      2.408241      3.471550
  F      -8.191355      3.407830      3.925569
  C      -8.819252      1.109585      3.980280
  C      -7.834577      0.737648      5.049108
  O      -8.117283     -0.132469      5.874413
  N      -6.595229      1.357771      4.960637
  C      -5.974305      1.584898      6.082761
  C      -9.675947      0.124267      3.482984
  H      -7.839871      3.889301      0.808127
  H      -6.610342      4.649506     -0.246976
  H      -7.540394      3.208412     -0.796514
  H      -7.992788      1.124067     -0.341905
  H      -8.406035     -1.223703      0.382641
  H      -3.147478     -1.846287      5.293790
  H      -4.932591      1.442639      2.671396
  H      -6.647146     11.492876     -0.556042
  H      -5.074248     11.129446     -1.279267
  H      -6.570856     10.722894     -2.175884
  H      -4.879822     11.264890      1.087717
  H      -3.997464     10.857659      3.381951
  H      -4.670321      3.972477      3.345457
  H      -6.202244      7.167170      0.906176
  H     -13.122587     -1.334506      0.767733
  H     -12.246526      0.093821      0.133223
  H     -13.326247      0.279428      1.523812
  H     -11.529134      1.970620      1.296207
  H     -10.046152      3.762980      2.194674
  H      -6.525703      1.552106      7.039151
  H      -9.584349     -0.894010      3.863850
  N      -2.656977      1.907924      2.986311
  N      -2.727704      2.040629      1.595444
  H      -3.710416      2.515495      1.278126
  H      -2.648221      1.115501      1.141865
  H      -1.948772      2.625617      1.250564
91
Coordinates from ORCA-job orca E -6725.203332487926
  N      -2.250766      0.135338      5.424918
  Mo     -3.183549      1.833313      4.694672
  N      -4.656766      1.879566      6.182848
  C      -4.270503      2.535607      7.439053
  C      -2.813887      2.256342      7.759251
  N      -1.928144      2.429293      6.563040
  C      -0.758803      1.499589      6.640743
  C      -1.228913      0.064081      6.447645
  C      -1.447251      3.829908      6.386432
  C      -2.556552      4.717664      5.857927
  N      -3.271038      3.953676      4.841275
  H      -0.383879     -0.566060      6.129809
  H      -1.637749     -0.370588      7.373288
  H      -0.081812      1.776618      5.822383
  H      -0.223901      1.633263      7.594570
  H      -3.233527      5.065280      6.653463
  H      -2.127506      5.627270      5.408507
  H      -1.030244      4.206309      7.334239
  H      -0.637696      3.786835      5.644982
  H      -4.892797      2.168966      8.271466
  H      -4.459085      3.615874      7.354201
  H      -2.722271      1.214214      8.086384
  H      -2.454061      2.899986      8.577395
  C      -7.128553      3.649428      0.105988
  C      -6.087471      2.769642      0.710475
  O      -4.930277      3.222125      0.872856
  C      -6.420440      1.395590      1.132744
  C      -7.469043      0.647965      0.558106
  C      -7.685107     -0.662137      0.957727
  C      -6.880592     -1.229495      1.948938
  F      -7.138437     -2.493350      2.290793
  C      -5.853374     -0.503697      2.586406
  C      -5.006027     -1.094858      3.660399
  O      -5.080901     -2.267509      4.002017
  N      -4.038224     -0.239750      4.239601
  C      -3.104493     -0.786466      5.020818
  C      -5.661805      0.807568      2.148842
  C      -6.067640     10.739803     -1.217037
  C      -6.112902      9.368646     -0.585853
  O      -6.545754      8.399882     -1.204850
  C      -5.598590      9.210158      0.811329
  C      -5.001761     10.261472      1.528558
  C      -4.524908     10.051660      2.818610
  C      -4.633150      8.785667      3.389020
  F      -4.177918      8.636840      4.650463
  C      -5.227427      7.708223      2.711589
  C      -5.381925      6.312175      3.236553
  O      -6.321570      5.611364      2.847497
  N      -4.373842      5.883997      4.095496
  C      -4.155587      4.591809      4.063154
  C      -5.713008      7.958929      1.424337
  C     -12.572092     -0.283517      0.962093
  C     -11.409027     -0.640109      1.857982
  O     -11.132694     -1.810131      2.104187
  C     -10.590106      0.469770      2.440300
  C     -10.726650      1.806105      2.031103
  C      -9.906260      2.796425      2.564602
  C      -8.940461      2.439584      3.503216
  F      -8.164605      3.421360      4.006048
  C      -8.786834      1.121986      3.959302
  C      -7.805661      0.710582      5.017242
  O      -8.090420     -0.186425      5.813601
  N      -6.569927      1.338785      4.959373
  C      -5.957070      1.544343      6.090000
  C      -9.638894      0.156026      3.417966
  H      -7.885178      3.866211      0.876649
  H      -6.684823      4.589520     -0.236995
  H      -7.649790      3.147532     -0.721017
  H      -8.098653      1.078208     -0.220145
  H      -8.479733     -1.270128      0.523880
  H      -3.076430     -1.853690      5.283913
  H      -4.929618      1.410516      2.676191
  H      -6.624172     11.469443     -0.610076
  H      -5.030235     11.101748     -1.282980
  H      -6.499139     10.689731     -2.222162
  H      -4.906436     11.252487      1.084806
  H      -4.071943     10.856114      3.398659
  H      -4.701049      3.964628      3.339682
  H      -6.192746      7.144553      0.880323
  H     -13.076083     -1.201243      0.646696
  H     -12.227042      0.267775      0.073942
  H     -13.287049      0.367972      1.488060
  H     -11.479873      2.086653      1.292262
  H     -10.010868      3.843778      2.279849
  H      -6.511351      1.486754      7.043467
  H      -9.553009     -0.875322      3.763141
  N      -2.665130      1.916597      2.988322
  N      -2.742725      2.052604      1.598261
  H      -3.740337      2.498772      1.287601
  H      -2.637133      1.132354      1.140709
  H      -1.982925      2.662029      1.253983
91
Coordinates from ORCA-job orca E -6725.203945342280
  N      -2.238257      0.129311      5.445700
  Mo     -3.189731      1.816372      4.712249
  N      -4.647687      1.856197      6.214349
  C      -4.257626      2.510192      7.469839
  C      -2.792966      2.250924      7.769476
  N      -1.925747      2.433925      6.560174
  C      -0.741882      1.519517      6.626252
  C      -1.195658      0.075415      6.448419
  C      -1.468262      3.842563      6.373215
  C      -2.597898      4.710938      5.855007
  N      -3.307946      3.936523      4.841278
  H      -0.347264     -0.544105      6.116760
  H      -1.580247     -0.362192      7.383689
  H      -0.080728      1.801560      5.796449
  H      -0.195269      1.666283      7.571464
  H      -3.273815      5.044675      6.657573
  H      -2.189622      5.629779      5.404140
  H      -1.046499      4.228871      7.314865
  H      -0.666220      3.809644      5.622801
  H      -4.864285      2.128954      8.307571
  H      -4.462827      3.588478      7.394217
  H      -2.681797      1.210326      8.096350
  H      -2.429846      2.900992      8.581161
  C      -7.156190      3.552607      0.086290
  C      -6.104475      2.695084      0.701650
  O      -4.958123      3.172557      0.865314
  C      -6.417909      1.317182      1.133847
  C      -7.451812      0.549622      0.559589
  C      -7.653113     -0.759001      0.971378
  C      -6.847899     -1.305543      1.974141
  F      -7.092111     -2.567913      2.328485
  C      -5.833185     -0.560867      2.610638
  C      -4.983223     -1.133323      3.694762
  O      -5.034288     -2.309399      4.031270
  N      -4.029489     -0.264727      4.274989
  C      -3.084743     -0.801171      5.051506
  C      -5.655364      0.748212      2.159520
  C      -6.110725     10.755285     -1.214082
  C      -6.153494      9.378574     -0.593585
  O      -6.580851      8.412986     -1.221445
  C      -5.633318      9.209257      0.800224
  C      -5.044370     10.258303      1.527011
  C      -4.564778     10.040047      2.814644
  C      -4.662618      8.767742      3.372973
  F      -4.207196      8.610644      4.633333
  C      -5.248154      7.692104      2.685446
  C      -5.395885      6.291012      3.199312
  O      -6.341244      5.595171      2.814937
  N      -4.397129      5.865970      4.071614
  C      -4.182852      4.572196      4.049533
  C      -5.736218      7.950833      1.400745
  C     -12.537332     -0.119923      0.902505
  C     -11.360483     -0.508344      1.767380
  O     -11.060356     -1.686297      1.939273
  C     -10.556095      0.576831      2.411038
  C     -10.686208      1.929394      2.053175
  C      -9.871186      2.895881      2.635812
  C      -8.920075      2.500983      3.572508
  F      -8.152609      3.460027      4.127270
  C      -8.772470      1.165624      3.976358
  C      -7.797158      0.714013      5.022601
  O      -8.081998     -0.215161      5.780342
  N      -6.560267      1.339337      4.985792
  C      -5.949172      1.525712      6.120242
  C      -9.617619      0.222714      3.387531
  H      -7.917902      3.763030      0.853177
  H      -6.725636      4.497529     -0.261136
  H      -7.668423      3.035811     -0.737447
  H      -8.083817      0.964945     -0.224936
  H      -8.438785     -1.380215      0.542544
  H      -3.044156     -1.867754      5.313967
  H      -4.934046      1.366643      2.684313
  H      -6.670456     11.478722     -0.602070
  H      -5.073717     11.121087     -1.275937
  H      -6.541077     10.712014     -2.219834
  H      -4.958349     11.254561      1.092959
  H      -4.118831     10.842817      3.402349
  H      -4.724614      3.942678      3.326675
  H      -6.210332      7.137965      0.849002
  H     -13.031416     -1.027349      0.538128
  H     -12.209283      0.485847      0.043993
  H     -13.255524      0.489900      1.470493
  H     -11.427809      2.238840      1.317010
  H      -9.970495      3.953716      2.391908
  H      -6.502728      1.453069      7.073424
  H      -9.534848     -0.822210      3.691178
  N      -2.682660      1.895944      3.003555
  N      -2.767997      2.027698      1.613719
  H      -3.777590      2.455558      1.309292
  H      -2.647381      1.107417      1.158607
  H      -2.021857      2.650767      1.263307
91
Coordinates from ORCA-job orca E -6725.204207765777
  N      -2.231064      0.108211      5.482080
  Mo     -3.198028      1.780188      4.733059
  N      -4.630961      1.828625      6.256533
  C      -4.234055      2.489684      7.504367
  C      -2.761439      2.253127      7.777799
  N      -1.919848      2.432307      6.548899
  C      -0.724562      1.531255      6.608267
  C      -1.165398      0.078887      6.460632
  C      -1.482813      3.844939      6.336317
  C      -2.630937      4.691599      5.823301
  N      -3.341609      3.899750      4.822220
  H      -0.316622     -0.534090      6.117669
  H      -1.522308     -0.352324      7.409888
  H      -0.081413      1.808640      5.762874
  H      -0.163850      1.698438      7.541618
  H      -3.302684      5.019704      6.631608
  H      -2.243492      5.614168      5.362036
  H      -1.053167      4.248822      7.266816
  H      -0.690748      3.812211      5.575390
  H      -4.821206      2.100214      8.352422
  H      -4.456018      3.565112      7.430947
  H      -2.629213      1.217815      8.113269
  H      -2.390251      2.917301      8.574134
  C      -7.175820      3.429991      0.120694
  C      -6.118322      2.588795      0.749070
  O      -4.993114      3.096009      0.962629
  C      -6.412329      1.204162      1.170479
  C      -7.418651      0.415803      0.578773
  C      -7.618787     -0.887511      1.008680
  C      -6.832433     -1.409921      2.038462
  F      -7.087094     -2.661483      2.420749
  C      -5.827151     -0.650363      2.673869
  C      -4.971635     -1.200102      3.764379
  O      -5.010266     -2.372539      4.117086
  N      -4.029565     -0.311378      4.332506
  C      -3.071598     -0.832653      5.106669
  C      -5.656895      0.653764      2.210362
  C      -6.273809     10.757319     -1.194192
  C      -6.269000      9.367165     -0.601928
  O      -6.722120      8.410252     -1.225545
  C      -5.722022      9.183808      0.779496
  C      -5.135343     10.229906      1.512448
  C      -4.630596      9.998853      2.787927
  C      -4.703719      8.717343      3.328767
  F      -4.223871      8.547064      4.578193
  C      -5.287309      7.644527      2.635332
  C      -5.412901      6.235587      3.133742
  O      -6.370152      5.544027      2.770902
  N      -4.417137      5.821044      4.015407
  C      -4.210519      4.525151      4.016873
  C      -5.799195      7.915367      1.362629
  C     -12.418527      0.169094      0.749695
  C     -11.250229     -0.272054      1.600825
  O     -10.923448     -1.454035      1.669218
  C     -10.475591      0.766451      2.347025
  C     -10.587667      2.139866      2.068141
  C      -9.785912      3.063863      2.732961
  C      -8.875008      2.606272      3.679855
  F      -8.126211      3.523895      4.322093
  C      -8.743810      1.247882      4.001628
  C      -7.786278      0.733228      5.034511
  O      -8.072677     -0.247598      5.723833
  N      -6.545670      1.346523      5.029233
  C      -5.933716      1.503838      6.166217
  C      -9.568601      0.345457      3.327888
  H      -7.967070      3.602753      0.869778
  H      -6.760436      4.393029     -0.194190
  H      -7.652189      2.917890     -0.727119
  H      -8.043849      0.817217     -0.218193
  H      -8.397668     -1.518712      0.583201
  H      -3.020854     -1.896968      5.375234
  H      -4.951222      1.286383      2.739260
  H      -6.825009     11.458135     -0.548406
  H      -5.246433     11.143795     -1.284835
  H      -6.739035     10.725772     -2.184595
  H      -5.069678     11.233642      1.092267
  H      -4.184490     10.798533      3.379681
  H      -4.755066      3.885084      3.305813
  H      -6.270616      7.104475      0.805619
  H     -12.891635     -0.712489      0.302264
  H     -12.087116      0.848093     -0.050940
  H     -13.153885      0.720417      1.353462
  H     -11.297880      2.496909      1.323873
  H      -9.861062      4.134962      2.542409
  H      -6.485327      1.421212      7.119863
  H      -9.487367     -0.718815      3.558747
  N      -2.703244      1.844472      3.018931
  N      -2.784453      1.973095      1.626150
  H      -3.776919      2.434120      1.307793
  H      -2.688264      1.047144      1.176891
  H      -2.018449      2.571005      1.274423
91
Coordinates from ORCA-job orca E -6725.205002331340
  N      -2.194214      0.109129      5.492142
  Mo     -3.196311      1.765121      4.752779
  N      -4.609499      1.782781      6.291965
  C      -4.215833      2.436748      7.543835
  C      -2.733637      2.234667      7.793769
  N      -1.915235      2.438690      6.551553
  C      -0.698699      1.564288      6.591486
  C      -1.109087      0.101490      6.448837
  C      -1.514991      3.862664      6.338719
  C      -2.689816      4.682380      5.841522
  N      -3.388928      3.880866      4.838902
  H      -0.252843     -0.490358      6.087260
  H      -1.436450     -0.340841      7.403525
  H      -0.074653      1.856978      5.736812
  H      -0.128188      1.743398      7.516653
  H      -3.363405      4.985202      6.658471
  H      -2.331977      5.619122      5.385292
  H      -1.084889      4.273947      7.265982
  H      -0.730576      3.851311      5.568987
  H      -4.782026      2.021037      8.393958
  H      -4.466108      3.507266      7.488383
  H      -2.570683      1.201502      8.121932
  H      -2.365404      2.904382      8.586888
  C      -7.227827      3.323803      0.113393
  C      -6.149255      2.509096      0.739674
  O      -5.028444      3.037291      0.923068
  C      -6.415760      1.124446      1.179698
  C      -7.416402      0.316808      0.605440
  C      -7.601865     -0.981108      1.056561
  C      -6.804837     -1.479178      2.089655
  F      -7.048980     -2.724686      2.496358
  C      -5.797789     -0.703567      2.703789
  C      -4.919115     -1.240806      3.784177
  O      -4.945395     -2.412548      4.142093
  N      -3.994522     -0.337158      4.356384
  C      -3.018947     -0.845303      5.119912
  C      -5.643978      0.595939      2.220633
  C      -6.324419     10.674350     -1.232889
  C      -6.314909      9.288929     -0.629441
  O      -6.752638      8.323778     -1.250947
  C      -5.786397      9.121263      0.761184
  C      -5.224213     10.179490      1.495754
  C      -4.736780      9.963298      2.780548
  C      -4.802480      8.684580      3.329332
  F      -4.338822      8.529354      4.586864
  C      -5.361778      7.599592      2.634587
  C      -5.479778      6.193010      3.142931
  O      -6.406819      5.477677      2.746385
  N      -4.482648      5.790179      4.028534
  C      -4.260282      4.496668      4.028944
  C      -5.856719      7.855743      1.351959
  C     -12.351629      0.471342      0.659838
  C     -11.178803     -0.030974      1.469523
  O     -10.844278     -1.213300      1.439685
  C     -10.409519      0.946419      2.298420
  C     -10.503243      2.336247      2.107441
  C      -9.702275      3.206681      2.841615
  C      -8.813591      2.679370      3.772798
  F      -8.075299      3.545720      4.493095
  C      -8.696565      1.299856      4.002592
  C      -7.748291      0.710209      5.003446
  O      -8.047237     -0.303007      5.637565
  N      -6.508627      1.321336      5.044848
  C      -5.909328      1.450144      6.191695
  C      -9.519814      0.451617      3.260944
  H      -8.010919      3.496410      0.871454
  H      -6.830799      4.286849     -0.221752
  H      -7.709961      2.791374     -0.718915
  H      -8.052072      0.700700     -0.192147
  H      -8.381808     -1.624027      0.650522
  H      -2.946063     -1.910365      5.379454
  H      -4.937836      1.242352      2.731934
  H      -6.891965     11.374583     -0.601184
  H      -5.299979     11.070164     -1.311511
  H      -6.774997     10.630412     -2.229801
  H      -5.164099     11.181129      1.069459
  H      -4.309549     10.772428      3.373322
  H      -4.794722      3.850682      3.315910
  H      -6.309139      7.035709      0.793135
  H     -12.824466     -0.373665      0.145986
  H     -12.024847      1.211163     -0.087044
  H     -13.085096      0.973243      1.308128
  H     -11.196115      2.747342      1.375159
  H      -9.756678      4.288281      2.712885
  H      -6.466562      1.342547      7.139448
  H      -9.449919     -0.626310      3.421102
  N      -2.714557      1.840566      3.035851
  N      -2.806206      1.963389      1.644020
  H      -3.831018      2.354450      1.327805
  H      -2.650384      1.044840      1.196964
  H      -2.082090      2.609787      1.289179
91
Coordinates from ORCA-job orca E -6725.204437842980
  N      -2.198843      0.120857      5.486045
  Mo     -3.182660      1.784491      4.742623
  N      -4.623279      1.782336      6.260150
  C      -4.254676      2.421502      7.526749
  C      -2.777182      2.224736      7.798682
  N      -1.939628      2.441007      6.573091
  C      -0.724135      1.567253      6.626392
  C      -1.130436      0.105256      6.460831
  C      -1.538620      3.866953      6.382820
  C      -2.703936      4.690063      5.869056
  N      -3.376831      3.898420      4.842411
  H      -0.267558     -0.480777      6.107488
  H      -1.472507     -0.347426      7.404777
  H      -0.083787      1.867952      5.786944
  H      -0.171236      1.736935      7.563920
  H      -3.398314      4.980498      6.672734
  H      -2.338720      5.632811      5.432458
  H      -1.129053      4.268942      7.323163
  H      -0.738603      3.864625      5.629828
  H      -4.830797      1.989582      8.361835
  H      -4.513447      3.490395      7.482605
  H      -2.615804      1.189646      8.120414
  H      -2.423873      2.888809      8.602825
  C      -7.079414      3.382816     -0.031075
  C      -6.024852      2.559334      0.627452
  O      -4.895224      3.070712      0.811729
  C      -6.316310      1.183055      1.076513
  C      -7.317599      0.385122      0.489784
  C      -7.534322     -0.905778      0.948379
  C      -6.770594     -1.405202      2.004329
  F      -7.053974     -2.638401      2.427003
  C      -5.759151     -0.643325      2.628391
  C      -4.904503     -1.197925      3.719429
  O      -4.941508     -2.373541      4.060151
  N      -3.982230     -0.307730      4.314357
  C      -3.018528     -0.828455      5.085537
  C      -5.573672      0.650724      2.137959
  C      -6.219169     10.711440     -1.235967
  C      -6.236501      9.326421     -0.632997
  O      -6.629697      8.358800     -1.279794
  C      -5.736673      9.152988      0.767319
  C      -5.199641     10.210568      1.521657
  C      -4.741185      9.989624      2.816203
  C      -4.808127      8.706727      3.354623
  F      -4.371880      8.548488      4.621525
  C      -5.341465      7.621489      2.639347
  C      -5.460908      6.210731      3.134759
  O      -6.350192      5.483136      2.680859
  N      -4.470722      5.804649      4.025944
  C      -4.232159      4.513314      4.016712
  C      -5.808663      7.882818      1.347288
  C     -12.593990      0.315225      0.917805
  C     -11.398774     -0.174899      1.699466
  O     -11.118322     -1.370199      1.751281
  C     -10.556292      0.827777      2.420205
  C     -10.617851      2.203094      2.139015
  C      -9.763219      3.096158      2.780123
  C      -8.854550      2.605130      3.713621
  F      -8.075088      3.493761      4.359600
  C      -8.760191      1.240842      4.022977
  C      -7.779601      0.689480      5.015927
  O      -8.070560     -0.281440      5.718011
  N      -6.537468      1.301573      5.012732
  C      -5.926214      1.452826      6.149611
  C      -9.635896      0.369647      3.372767
  H      -7.875030      3.582833      0.707689
  H      -6.657950      4.332422     -0.376519
  H      -7.554573      2.846257     -0.864544
  H      -7.927767      0.769063     -0.327518
  H      -8.319884     -1.537351      0.533875
  H      -2.952886     -1.897582      5.332305
  H      -4.863064      1.287301      2.654632
  H      -6.811836     11.411112     -0.627843
  H      -5.192532     11.106895     -1.272187
  H      -6.628489     10.667948     -2.250658
  H      -5.137875     11.215481      1.103768
  H      -4.334743     10.798175      3.424305
  H      -4.746788      3.865810      3.289634
  H      -6.241765      7.062845      0.773058
  H     -13.129670     -0.543202      0.501928
  H     -12.279656      0.977396      0.096322
  H     -13.266948      0.901318      1.561907
  H     -11.329975      2.587078      1.406640
  H      -9.784621      4.165300      2.571349
  H      -6.480255      1.346754      7.099022
  H      -9.588964     -0.695699      3.601578
  N      -2.657800      1.876090      3.037451
  N      -2.707174      2.010428      1.645962
  H      -3.729074      2.387365      1.299423
  H      -2.524318      1.098525      1.196583
  H      -1.981160      2.669402      1.320547
91
Coordinates from ORCA-job orca E -6725.205751706391
  N      -2.171316      0.103046      5.510501
  Mo     -3.181238      1.749058      4.761901
  N      -4.594261      1.755178      6.300274
  C      -4.212530      2.397368      7.561388
  C      -2.726465      2.220752      7.805229
  N      -1.916389      2.438993      6.559595
  C      -0.687842      1.581812      6.595936
  C      -1.078205      0.112107      6.457146
  C      -1.539790      3.869311      6.348780
  C      -2.725918      4.669988      5.846990
  N      -3.401564      3.861751      4.834433
  H      -0.216654     -0.466509      6.088378
  H      -1.389814     -0.334067      7.414857
  H      -0.070271      1.880755      5.739009
  H      -0.116969      1.770164      7.518955
  H      -3.412877      4.953625      6.659195
  H      -2.382907      5.616068      5.399528
  H      -1.120434      4.286709      7.277832
  H      -0.752667      3.871525      5.582352
  H      -4.768776      1.958016      8.406085
  H      -4.485389      3.463075      7.523578
  H      -2.544661      1.190385      8.131383
  H      -2.365102      2.895520      8.596655
  C      -7.156274      3.246507      0.020901
  C      -6.094194      2.439975      0.686526
  O      -4.965936      2.960058      0.853225
  C      -6.376049      1.071702      1.165564
  C      -7.379974      0.257694      0.605933
  C      -7.572051     -1.031761      1.079193
  C      -6.783120     -1.512105      2.125587
  F      -7.033399     -2.750060      2.554735
  C      -5.776729     -0.728780      2.730976
  C      -4.898729     -1.260079      3.814284
  O      -4.892657     -2.439445      4.144345
  N      -3.973691     -0.354327      4.380072
  C      -2.987564     -0.858464      5.134365
  C      -5.614585      0.561749      2.224454
  C      -6.376318     10.676840     -1.217241
  C      -6.376101      9.286159     -0.626692
  O      -6.753200      8.318744     -1.283475
  C      -5.854669      9.104209      0.764607
  C      -5.327718     10.162365      1.525155
  C      -4.849576      9.934397      2.811187
  C      -4.886047      8.643953      3.334122
  F      -4.432450      8.478570      4.593984
  C      -5.407419      7.557455      2.611965
  C      -5.492146      6.138755      3.092335
  O      -6.387693      5.402596      2.662413
  N      -4.503475      5.753393      3.993132
  C      -4.261244      4.463353      4.002199
  C      -5.895483      7.825704      1.329221
  C     -12.400467      0.637508      0.694600
  C     -11.221446      0.099940      1.469645
  O     -10.926398     -1.092527      1.433880
  C     -10.414801      1.050044      2.294865
  C     -10.478860      2.442385      2.117281
  C      -9.660683      3.289984      2.859898
  C      -8.780119      2.735318      3.784971
  F      -8.043338      3.578982      4.534046
  C      -8.683597      1.350048      3.991328
  C      -7.737990      0.727640      4.976555
  O      -8.049481     -0.289887      5.598314
  N      -6.489594      1.320409      5.030338
  C      -5.898155      1.438255      6.181508
  C      -9.529190      0.526909      3.246421
  H      -7.945058      3.457109      0.762056
  H      -6.741190      4.191616     -0.345023
  H      -7.636216      2.692180     -0.797954
  H      -8.002696      0.623209     -0.210194
  H      -8.352448     -1.678471      0.679746
  H      -2.907578     -1.924655      5.389355
  H      -4.902568      1.211857      2.722244
  H      -6.974793     11.364131     -0.600301
  H      -5.354059     11.084725     -1.253768
  H      -6.789084     10.637922     -2.230464
  H      -5.290089     11.173266      1.119078
  H      -4.451227     10.743014      3.424568
  H      -4.774049      3.805856      3.283218
  H      -6.320203      7.004868      0.749970
  H     -12.915396     -0.191426      0.199148
  H     -12.071366      1.363280     -0.065030
  H     -13.096522      1.166755      1.362230
  H     -11.168363      2.876115      1.391894
  H      -9.691403      4.372302      2.738809
  H      -6.464305      1.323217      7.123078
  H      -9.488401     -0.551773      3.402347
  N      -2.680608      1.824868      3.048782
  N      -2.744738      1.949544      1.657003
  H      -3.767748      2.334501      1.319081
  H      -2.572455      1.033383      1.211318
  H      -2.018385      2.602215      1.319213
91
Coordinates from ORCA-job orca E -6725.205835911851
  N      -2.145384      0.086903      5.533169
  Mo     -3.185329      1.712369      4.777737
  N      -4.570510      1.719710      6.339691
  C      -4.180302      2.365678      7.595974
  C      -2.686430      2.216474      7.810795
  N      -1.905656      2.439251      6.545696
  C      -0.661893      1.602573      6.566641
  C      -1.031087      0.124115      6.453519
  C      -1.559486      3.875330      6.316075
  C      -2.768301      4.648735      5.822707
  N      -3.439669      3.822158      4.820990
  H      -0.167872     -0.444235      6.071192
  H      -1.312973     -0.316531      7.423248
  H      -0.065870      1.900978      5.694015
  H      -0.075956      1.811035      7.475916
  H      -3.453047      4.921645      6.641032
  H      -2.450038      5.599766      5.367269
  H      -1.135655      4.310053      7.235478
  H      -0.782415      3.885351      5.538900
  H      -4.713693      1.914427      8.449557
  H      -4.473377      3.426665      7.566823
  H      -2.479199      1.192047      8.140962
  H      -2.320375      2.904195      8.589014
  C      -7.224161      3.111815      0.080371
  C      -6.140031      2.323456      0.729305
  O      -5.023370      2.866985      0.896033
  C      -6.400769      0.957298      1.221897
  C      -7.414718      0.135347      0.693359
  C      -7.599818     -1.144804      1.192346
  C      -6.791425     -1.607202      2.232340
  F      -7.036854     -2.834946      2.690518
  C      -5.770814     -0.815592      2.803269
  C      -4.868683     -1.326772      3.877161
  O      -4.860390     -2.499726      4.233025
  N      -3.953661     -0.403142      4.429673
  C      -2.952623     -0.887849      5.177518
  C      -5.616761      0.464046      2.271223
  C      -6.551174     10.631429     -1.197992
  C      -6.499138      9.232547     -0.628556
  O      -6.920818      8.272262     -1.268161
  C      -5.963619      9.046949      0.757066
  C      -5.435439     10.104394      1.517542
  C      -4.939506      9.871719      2.796048
  C      -4.961835      8.578002      3.312360
  F      -4.490831      8.408770      4.565307
  C      -5.485591      7.492167      2.590907
  C      -5.552306      6.069778      3.064493
  O      -6.445945      5.327313      2.639473
  N      -4.558273      5.694636      3.963815
  C      -4.307911      4.405780      3.985992
  C      -5.991194      7.765254      1.315814
  C     -12.185004      0.989436      0.480534
  C     -11.057253      0.388181      1.285433
  O     -10.764337     -0.801596      1.180937
  C     -10.278714      1.276805      2.201535
  C     -10.324152      2.679111      2.108418
  C      -9.532517      3.470599      2.936593
  C      -8.697624      2.850393      3.860715
  F      -7.983690      3.636139      4.688812
  C      -8.619004      1.453221      3.982745
  C      -7.711514      0.762981      4.956592
  O      -8.041760     -0.294383      5.494048
  N      -6.455619      1.331406      5.058447
  C      -5.875735      1.413206      6.217688
  C      -9.439026      0.686609      3.155142
  H      -8.008883      3.299951      0.831398
  H      -6.832710      4.066800     -0.282193
  H      -7.700949      2.552211     -0.737290
  H      -8.056814      0.489950     -0.112572
  H      -8.391679     -1.793847      0.821254
  H      -2.855113     -1.950820      5.437539
  H      -4.895276      1.122157      2.744939
  H      -7.136862     11.299366     -0.547986
  H      -5.539136     11.058624     -1.269846
  H      -7.004190     10.598486     -2.194233
  H      -5.408695     11.117883      1.116521
  H      -4.537844     10.679113      3.408739
  H      -4.815630      3.735708      3.275286
  H      -6.415977      6.945011      0.736270
  H     -12.684734      0.198880     -0.090970
  H     -11.804946      1.751837     -0.217239
  H     -12.907839      1.492095      1.140215
  H     -10.975706      3.162224      1.381823
  H      -9.547317      4.559735      2.881217
  H      -6.449301      1.292456      7.154224
  H      -9.411484     -0.400750      3.245357
  N      -2.702588      1.775791      3.059825
  N      -2.775951      1.884399      1.666646
  H      -3.810437      2.237945      1.322243
  H      -2.577990      0.968569      1.230873
  H      -2.069426      2.553917      1.318880
91
Coordinates from ORCA-job orca E -6725.206664763736
  N      -2.133347      0.092486      5.544407
  Mo     -3.170199      1.711374      4.772862
  N      -4.577693      1.709698      6.317359
  C      -4.207049      2.344918      7.585117
  C      -2.714501      2.210364      7.813627
  N      -1.924066      2.446604      6.557889
  C      -0.672249      1.622981      6.589220
  C      -1.025616      0.140169      6.471859
  C      -1.593381      3.887522      6.338118
  C      -2.804097      4.647180      5.828307
  N      -3.444056      3.818790      4.808264
  H      -0.154295     -0.418582      6.094625
  H      -1.308989     -0.303895      7.439335
  H      -0.071070      1.927430      5.722388
  H      -0.096872      1.836648      7.504017
  H      -3.508373      4.903370      6.635158
  H      -2.491371      5.605871      5.385710
  H      -1.189429      4.324250      7.265383
  H      -0.805050      3.910619      5.572849
  H      -4.742908      1.876829      8.428034
  H      -4.513175      3.402441      7.566815
  H      -2.499832      1.187079      8.141862
  H      -2.362657      2.898662      8.597618
  C      -7.107028      3.100484     -0.015013
  C      -6.038570      2.307955      0.655457
  O      -4.915914      2.840620      0.820433
  C      -6.321396      0.954290      1.168931
  C      -7.352478      0.145072      0.653602
  C      -7.565675     -1.122755      1.172796
  C      -6.767260     -1.585937      2.219597
  F      -7.041988     -2.799284      2.700247
  C      -5.728792     -0.808362      2.777003
  C      -4.835269     -1.326292      3.854779
  O      -4.831265     -2.500073      4.206491
  N      -3.927211     -0.404286      4.420357
  C      -2.930807     -0.886661      5.176160
  C      -5.547930      0.460515      2.226273
  C      -6.497937     10.699726     -1.177011
  C      -6.446181      9.290572     -0.634121
  O      -6.849233      8.340312     -1.299997
  C      -5.934142      9.081384      0.757028
  C      -5.431595     10.128134      1.549029
  C      -4.957172      9.873816      2.831537
  C      -4.974214      8.569390      3.320178
  F      -4.525092      8.380441      4.578366
  C      -5.471661      7.492919      2.566181
  C      -5.528695      6.059689      3.007749
  O      -6.403573      5.315371      2.549482
  N      -4.555438      5.683386      3.927396
  C      -4.292507      4.396794      3.949257
  C      -5.957164      7.787966      1.288072
  C     -12.368348      0.928748      0.636843
  C     -11.217008      0.334651      1.412305
  O     -10.947724     -0.862517      1.334522
  C     -10.387100      1.239418      2.265560
  C     -10.419317      2.638203      2.132231
  C      -9.586144      3.443944      2.904039
  C      -8.723032      2.840768      3.814237
  F      -7.965330      3.639727      4.587942
  C      -8.657209      1.447537      3.976151
  C      -7.727654      0.769815      4.938706
  O      -8.057399     -0.269804      5.510424
  N      -6.466137      1.333525      5.019080
  C      -5.886549      1.419749      6.178131
  C      -9.517470      0.667672      3.203096
  H      -7.890466      3.320110      0.728365
  H      -6.697397      4.039912     -0.397778
  H      -7.589669      2.531305     -0.822348
  H      -7.987567      0.499435     -0.157817
  H      -8.372252     -1.759144      0.810759
  H      -2.831132     -1.950314      5.433625
  H      -4.811727      1.109154      2.689674
  H      -7.101233     11.350167     -0.525527
  H      -5.488201     11.135735     -1.220650
  H      -6.931306     10.683045     -2.182373
  H      -5.408755     11.150019      1.169902
  H      -4.576255     10.672369      3.468631
  H      -4.773061      3.724394      3.221822
  H      -6.362114      6.975708      0.683672
  H     -12.907118      0.128878      0.117963
  H     -12.005563      1.657636     -0.104709
  H     -13.051958      1.469466      1.308411
  H     -11.093629      3.108843      1.416649
  H      -9.588738      4.530067      2.813313
  H      -6.466308      1.301396      7.111090
  H      -9.500460     -0.416348      3.326738
  N      -2.651841      1.775190      3.064441
  N      -2.686657      1.881918      1.670402
  H      -3.717134      2.216913      1.294179
  H      -2.460344      0.969830      1.241048
  H      -1.981830      2.563288      1.343268
91
Coordinates from ORCA-job orca E -6725.207129292159
  N      -2.115065      0.080373      5.552636
  Mo     -3.166212      1.691237      4.784657
  N      -4.558049      1.684438      6.341855
  C      -4.184522      2.308502      7.613764
  C      -2.687859      2.190066      7.822938
  N      -1.915895      2.438532      6.557387
  C      -0.654443      1.628740      6.572194
  C      -0.992312      0.140975      6.460648
  C      -1.607113      3.884497      6.338044
  C      -2.831688      4.627507      5.835954
  N      -3.459696      3.795249      4.811985
  H      -0.120850     -0.407045      6.068655
  H      -1.253273     -0.306329      7.432837
  H      -0.068139      1.938928      5.697308
  H      -0.069065      1.849124      7.479045
  H      -3.539214      4.865530      6.645336
  H      -2.536322      5.594276      5.399223
  H      -1.204782      4.325453      7.263809
  H      -0.823446      3.920718      5.568738
  H      -4.705223      1.822505      8.456189
  H      -4.504153      3.362284      7.613390
  H      -2.457037      1.168800      8.145914
  H      -2.333463      2.880556      8.603596
  C      -7.102382      3.025366     -0.046434
  C      -6.034868      2.248556      0.646343
  O      -4.907478      2.779853      0.786985
  C      -6.316204      0.902505      1.180295
  C      -7.353443      0.090414      0.682324
  C      -7.572904     -1.167496      1.222858
  C      -6.773100     -1.618630      2.273317
  F      -7.055714     -2.820816      2.777470
  C      -5.725949     -0.839636      2.812447
  C      -4.827359     -1.350387      3.889551
  O      -4.806197     -2.526330      4.232208
  N      -3.917801     -0.425360      4.446557
  C      -2.909388     -0.903710      5.190628
  C      -5.539806      0.419890      2.241428
  C      -6.577706     10.642270     -1.181055
  C      -6.536058      9.235299     -0.631685
  O      -6.871326      8.275971     -1.321709
  C      -6.025670      9.029399      0.760546
  C      -5.558951     10.083839      1.564144
  C      -5.091900      9.833696      2.850070
  C      -5.077551      8.526008      3.329869
  F      -4.637757      8.343037      4.592216
  C      -5.535158      7.440807      2.562605
  C      -5.560622      6.003510      2.994436
  O      -6.392474      5.233233      2.498473
  N      -4.588898      5.645041      3.921378
  C      -4.307344      4.362643      3.945726
  C      -6.014926      7.731808      1.281389
  C     -12.290663      1.139612      0.574731
  C     -11.157957      0.510978      1.349937
  O     -10.924516     -0.693439      1.271179
  C     -10.324310      1.383343      2.232334
  C     -10.323522      2.784795      2.122348
  C      -9.487702      3.559573      2.922699
  C      -8.655602      2.923409      3.839392
  F      -7.902171      3.693455      4.647048
  C      -8.619201      1.526055      3.974031
  C      -7.710106      0.808044      4.926685
  O      -8.062085     -0.239421      5.471298
  N      -6.438898      1.344566      5.028338
  C      -5.869539      1.412046      6.193460
  C      -9.482770      0.777363      3.173844
  H      -7.888840      3.264551      0.688771
  H      -6.690625      3.954888     -0.451679
  H      -7.582585      2.437542     -0.841658
  H      -7.990871      0.434713     -0.131554
  H      -8.386891     -1.802147      0.874581
  H      -2.801507     -1.967724      5.443980
  H      -4.797377      1.070031      2.691839
  H      -7.211451     11.288040     -0.554764
  H      -5.570994     11.088240     -1.187531
  H      -6.972442     10.618864     -2.202026
  H      -5.561353     11.108683      1.192552
  H      -4.741087     10.638089      3.497081
  H      -4.775086      3.682355      3.217447
  H      -6.392221      6.913067      0.667687
  H     -12.849040      0.357331      0.050589
  H     -11.905484      1.861098     -0.162786
  H     -12.961425      1.696296      1.245923
  H     -10.973398      3.282303      1.401524
  H      -9.462372      4.645854      2.846855
  H      -6.457458      1.291680      7.120987
  H      -9.487893     -0.308641      3.277586
  N      -2.652225      1.755527      3.074228
  N      -2.684514      1.865716      1.681022
  H      -3.715471      2.201174      1.305018
  H      -2.456317      0.955330      1.249017
  H      -1.980871      2.549467      1.356607
91
Coordinates from ORCA-job orca E -6725.207685416564
  N      -2.093894      0.072517      5.570686
  Mo     -3.158948      1.668808      4.791835
  N      -4.546316      1.661882      6.352959
  C      -4.178053      2.279874      7.629254
  C      -2.678401      2.181448      7.828686
  N      -1.917542      2.439163      6.557495
  C      -0.644779      1.646719      6.567351
  C      -0.962921      0.153045      6.466343
  C      -1.632669      3.889593      6.334057
  C      -2.868817      4.610769      5.827189
  N      -3.476517      3.769137      4.798708
  H      -0.087745     -0.384447      6.068119
  H      -1.207191     -0.292881      7.443467
  H      -0.068661      1.959910      5.686779
  H      -0.055896      1.879532      7.468855
  H      -3.585381      4.833235      6.632985
  H      -2.589351      5.583660      5.393808
  H      -1.239550      4.340204      7.259109
  H      -0.848487      3.937165      5.565864
  H      -4.687207      1.778004      8.469575
  H      -4.512790      3.328969      7.641524
  H      -2.431367      1.164077      8.151641
  H      -2.327993      2.877770      8.605878
  C      -7.092290      2.933481     -0.055416
  C      -6.020769      2.164927      0.640428
  O      -4.892007      2.697086      0.767128
  C      -6.304236      0.830060      1.198883
  C      -7.357103      0.020290      0.730585
  C      -7.583407     -1.224772      1.297579
  C      -6.774383     -1.664878      2.345554
  F      -7.062405     -2.853857      2.877312
  C      -5.712019     -0.886990      2.855221
  C      -4.802708     -1.386592      3.927683
  O      -4.771845     -2.560938      4.275609
  N      -3.896318     -0.452951      4.474598
  C      -2.880073     -0.920272      5.215277
  C      -5.519690      0.358943      2.258569
  C      -6.686445     10.633965     -1.154659
  C      -6.610698      9.219383     -0.628840
  O      -6.948749      8.265850     -1.325431
  C      -6.095923      9.002186      0.760097
  C      -5.647155     10.052763      1.578853
  C      -5.174634      9.791608      2.860547
  C      -5.137686      8.477522      3.321475
  F      -4.693949      8.285072      4.580997
  C      -5.576619      7.395611      2.538525
  C      -5.576075      5.951597      2.948457
  O      -6.392100      5.173989      2.437246
  N      -4.613500      5.602464      3.887544
  C      -4.319410      4.322741      3.920017
  C      -6.062365      7.697580      1.262066
  C     -12.229791      1.351864      0.512910
  C     -11.123835      0.681152      1.291702
  O     -10.914027     -0.525726      1.187539
  C     -10.277525      1.517531      2.196644
  C     -10.248982      2.921248      2.119042
  C      -9.403512      3.661456      2.941553
  C      -8.588380      2.988345      3.846674
  F      -7.824754      3.723683      4.676738
  C      -8.579460      1.588064      3.949188
  C      -7.686866      0.829775      4.885346
  O      -8.058469     -0.223179      5.405398
  N      -6.410922      1.349864      5.015316
  C      -5.858873      1.403700      6.189284
  C      -9.453605      0.874464      3.128487
  H      -7.873434      3.182107      0.682293
  H      -6.682922      3.857819     -0.474549
  H      -7.576827      2.336036     -0.840656
  H      -8.003026      0.355665     -0.080111
  H      -8.409079     -1.855382      0.969948
  H      -2.762570     -1.982668      5.471052
  H      -4.764873      1.008441      2.688594
  H      -7.325833     11.257301     -0.511372
  H      -5.688800     11.099427     -1.164555
  H      -7.091874     10.619070     -2.171583
  H      -5.667452     11.082762      1.222346
  H      -4.836932     10.592229      3.519113
  H      -4.768469      3.633900      3.188219
  H      -6.424916      6.881233      0.636238
  H     -12.802926      0.592731     -0.029046
  H     -11.816194      2.072575     -0.210106
  H     -12.893200      1.917490      1.183848
  H     -10.884183      3.447318      1.405546
  H      -9.355202      4.748442      2.889262
  H      -6.460196      1.284205      7.108274
  H      -9.480534     -0.213074      3.209226
  N      -2.638257      1.725836      3.082832
  N      -2.660458      1.827262      1.688800
  H      -3.696987      2.131650      1.299176
  H      -2.403198      0.921252      1.264117
  H      -1.973216      2.528519      1.366303
91
Coordinates from ORCA-job orca E -6725.208022858942
  N      -2.074962      0.062273      5.574934
  Mo     -3.151570      1.648236      4.791283
  N      -4.533232      1.646860      6.362615
  C      -4.161875      2.251478      7.645088
  C      -2.659726      2.164650      7.829570
  N      -1.912403      2.433535      6.552764
  C      -0.631001      1.654150      6.552112
  C      -0.934846      0.156294      6.456981
  C      -1.648359      3.887963      6.329238
  C      -2.894320      4.592169      5.818273
  N      -3.482921      3.746155      4.782396
  H      -0.058624     -0.373171      6.049681
  H      -1.162796     -0.289626      7.438112
  H      -0.065320      1.971032      5.665916
  H      -0.035701      1.893788      7.447807
  H      -3.620700      4.798777      6.619911
  H      -2.626643      5.571169      5.391301
  H      -1.264147      4.345188      7.255098
  H      -0.863258      3.947712      5.562361
  H      -4.658110      1.732407      8.482849
  H      -4.505552      3.297431      7.675990
  H      -2.400628      1.148769      8.147701
  H      -2.308170      2.861877      8.605672
  C      -7.096482      2.852898     -0.050281
  C      -6.015685      2.088767      0.635927
  O      -4.889520      2.625933      0.760117
  C      -6.299920      0.763314      1.212660
  C      -7.373602     -0.039240      0.778498
  C      -7.608795     -1.269776      1.372943
  C      -6.787858     -1.702177      2.415296
  F      -7.082464     -2.874784      2.978553
  C      -5.706420     -0.929541      2.889946
  C      -4.788308     -1.415784      3.959516
  O      -4.753756     -2.587345      4.318155
  N      -3.879992     -0.475995      4.492797
  C      -2.858309     -0.935983      5.227669
  C      -5.504756      0.299936      2.266384
  C      -6.783228     10.621413     -1.125971
  C      -6.673036      9.201928     -0.619772
  O      -7.020770      8.252612     -1.316807
  C      -6.155891      8.977775      0.767437
  C      -5.722989     10.026037      1.597641
  C      -5.246301      9.757381      2.876414
  C      -5.190534      8.439106      3.324146
  F      -4.744209      8.241853      4.582006
  C      -5.613330      7.359177      2.529436
  C      -5.592374      5.910100      2.920507
  O      -6.379725      5.126088      2.375270
  N      -4.634307      5.564504      3.864954
  C      -4.325581      4.287418      3.898464
  C      -6.103353      7.668677      1.256083
  C     -12.132388      1.501916      0.418465
  C     -11.072159      0.808546      1.240999
  O     -10.880340     -0.401742      1.140560
  C     -10.234609      1.631206      2.167631
  C     -10.191834      3.036163      2.102937
  C      -9.351828      3.761109      2.943287
  C      -8.554918      3.072354      3.851771
  F      -7.789318      3.790942      4.694672
  C      -8.564269      1.672231      3.947041
  C      -7.694461      0.897754      4.888942
  O      -8.078146     -0.165323      5.377047
  N      -6.404114      1.387426      5.020746
  C      -5.851516      1.418972      6.194609
  C      -9.433634      0.973722      3.107930
  H      -7.872096      3.095613      0.694408
  H      -6.696831      3.780746     -0.469468
  H      -7.581198      2.253765     -0.834281
  H      -8.033127      0.290668     -0.023203
  H      -8.448418     -1.892679      1.065948
  H      -2.734195     -1.996989      5.485270
  H      -4.735484      0.945509      2.676779
  H      -7.425130     11.224816     -0.466395
  H      -5.794694     11.104685     -1.142788
  H      -7.201993     10.612116     -2.137743
  H      -5.758033     11.059547      1.252172
  H      -4.919637     10.555429      3.543556
  H      -4.756604      3.591752      3.162612
  H      -6.452382      6.852929      0.621312
  H     -12.704785      0.753103     -0.139977
  H     -11.673437      2.206101     -0.293623
  H     -12.806391      2.089156      1.060056
  H     -10.808189      3.573212      1.382286
  H      -9.288786      4.848112      2.897341
  H      -6.458030      1.311814      7.111535
  H      -9.470087     -0.113846      3.179609
  N      -2.625701      1.700521      3.083911
  N      -2.638933      1.797369      1.689550
  H      -3.678959      2.070406      1.287200
  H      -2.352704      0.898282      1.268884
  H      -1.969883      2.517577      1.369877
91
Coordinates from ORCA-job orca E -6725.208469070511
  N      -2.061485      0.048960      5.596250
  Mo     -3.140866      1.625453      4.798606
  N      -4.524675      1.635917      6.367598
  C      -4.156551      2.232417      7.654510
  C      -2.653379      2.153322      7.835181
  N      -1.911033      2.426629      6.556313
  C      -0.623452      1.657181      6.555418
  C      -0.915973      0.156021      6.469608
  C      -1.661194      3.883324      6.328856
  C      -2.911793      4.572771      5.809379
  N      -3.481762      3.720987      4.767882
  H      -0.038217     -0.368065      6.058916
  H      -1.133039     -0.287208      7.454525
  H      -0.063723      1.974116      5.665613
  H      -0.026798      1.905829      7.447672
  H      -3.646483      4.768871      6.605766
  H      -2.653110      5.555663      5.385777
  H      -1.286620      4.347912      7.254664
  H      -0.873399      3.949558      5.565567
  H      -4.648020      1.703003      8.488528
  H      -4.505546      3.276333      7.695207
  H      -2.387236      1.139221      8.153022
  H      -2.303551      2.852671      8.609975
  C      -7.054534      2.781779     -0.084697
  C      -5.983719      2.021776      0.622352
  O      -4.849584      2.546185      0.727296
  C      -6.282795      0.711109      1.227031
  C      -7.373399     -0.082384      0.819569
  C      -7.622403     -1.298219      1.439162
  C      -6.796947     -1.726438      2.479266
  F      -7.101070     -2.885634      3.064726
  C      -5.698372     -0.962513      2.927560
  C      -4.772838     -1.444636      3.991707
  O      -4.743498     -2.611777      4.364651
  N      -3.865520     -0.500469      4.518113
  C      -2.841575     -0.953905      5.255311
  C      -5.483799      0.252944      2.280426
  C      -6.895926     10.612019     -1.092442
  C      -6.754000      9.186889     -0.610314
  O      -7.073202      8.241262     -1.326062
  C      -6.228020      8.951472      0.771637
  C      -5.826651      9.996192      1.621985
  C      -5.343241      9.717515      2.895850
  C      -5.249026      8.393310      3.318679
  F      -4.798815      8.186448      4.573538
  C      -5.638215      7.316359      2.502941
  C      -5.577578      5.861261      2.867581
  O      -6.340306      5.065145      2.304171
  N      -4.633130      5.528677      3.829164
  C      -4.314509      4.254226      3.869637
  C      -6.135651      7.635486      1.234835
  C     -12.098917      1.664783      0.386427
  C     -11.052716      0.945978      1.204866
  O     -10.880635     -0.266063      1.093661
  C     -10.206218      1.745154      2.143090
  C     -10.140356      3.149953      2.093970
  C      -9.286463      3.851331      2.939990
  C      -8.498186      3.139649      3.838584
  F      -7.718812      3.837995      4.686985
  C      -8.531053      1.738912      3.918754
  C      -7.673238      0.935667      4.848318
  O      -8.079513     -0.119787      5.335638
  N      -6.378767      1.406661      5.000943
  C      -5.843901      1.429052      6.183512
  C      -9.415261      1.064342      3.075089
  H      -7.828263      3.052333      0.652242
  H      -6.642900      3.695193     -0.525330
  H      -7.544470      2.170037     -0.855330
  H      -8.037823      0.243347      0.020330
  H      -8.475228     -1.911799      1.151339
  H      -2.714694     -2.013503      5.517732
  H      -4.697910      0.890969      2.670527
  H      -7.554520     11.188371     -0.424864
  H      -5.918861     11.119217     -1.097024
  H      -7.310906     10.610157     -2.105595
  H      -5.892773     11.034559      1.296570
  H      -5.041264     10.512025      3.578729
  H      -4.729921      3.553161      3.130271
  H      -6.459790      6.821770      0.584431
  H     -12.683552      0.930659     -0.178644
  H     -11.624834      2.365150     -0.319322
  H     -12.763343      2.259594      1.030077
  H     -10.748393      3.705359      1.379929
  H      -9.204730      4.936732      2.904588
  H      -6.464277      1.327466      7.091831
  H      -9.470330     -0.022989      3.136114
  N      -2.605438      1.666375      3.093222
  N      -2.606554      1.756645      1.698064
  H      -3.645038      2.016844      1.284448
  H      -2.306345      0.859055      1.283595
  H      -1.943177      2.483085      1.380840
91
Coordinates from ORCA-job orca E -6725.208854469191
  N      -2.047614      0.044185      5.608897
  Mo     -3.128811      1.611604      4.798511
  N      -4.521618      1.634906      6.361295
  C      -4.156227      2.216797      7.656001
  C      -2.652503      2.143195      7.835698
  N      -1.911720      2.425049      6.558473
  C      -0.617974      1.666136      6.558276
  C      -0.898796      0.162123      6.476228
  C      -1.675825      3.883873      6.331442
  C      -2.928414      4.560031      5.799293
  N      -3.475689      3.705096      4.748556
  H      -0.019083     -0.355462      6.062045
  H      -1.106651     -0.281014      7.462995
  H      -0.062038      1.985968      5.667281
  H      -0.022412      1.921252      7.449403
  H      -3.674360      4.745158      6.587724
  H      -2.675946      5.546882      5.381765
  H      -1.314857      4.353845      7.259862
  H      -0.882213      3.958203      5.575057
  H      -4.643923      1.673606      8.483243
  H      -4.509811      3.258440      7.710725
  H      -2.381578      1.129396      8.149553
  H      -2.305460      2.840607      8.613479
  C      -7.012785      2.720179     -0.117690
  C      -5.948494      1.964983      0.605188
  O      -4.808414      2.478557      0.694760
  C      -6.258666      0.667081      1.232007
  C      -7.362021     -0.119226      0.844939
  C      -7.623271     -1.321887      1.485635
  C      -6.796947     -1.745558      2.526337
  F      -7.111476     -2.890795      3.133628
  C      -5.686453     -0.988125      2.954923
  C      -4.761687     -1.463652      4.021212
  O      -4.725576     -2.629685      4.396672
  N      -3.851240     -0.515879      4.535849
  C      -2.824840     -0.963223      5.273116
  C      -5.458759      0.214225      2.287240
  C      -6.942319     10.637308     -1.055379
  C      -6.785383      9.205796     -0.597768
  O      -7.082697      8.269064     -1.334252
  C      -6.260030      8.952666      0.781377
  C      -5.884631      9.987920      1.655007
  C      -5.402247      9.693259      2.925483
  C      -5.282364      8.362983      3.321895
  F      -4.832845      8.140940      4.574405
  C      -5.644100      7.294798      2.482221
  C      -5.554891      5.833796      2.817407
  O      -6.286646      5.032470      2.220903
  N      -4.627095      5.504667      3.795790
  C      -4.297893      4.232567      3.837088
  C      -6.141477      7.629730      1.217879
  C     -12.118872      1.733647      0.386659
  C     -11.080761      1.006882      1.207826
  O     -10.923637     -0.207815      1.103749
  C     -10.221910      1.802700      2.137741
  C     -10.145084      3.206353      2.082006
  C      -9.275609      3.903404      2.914760
  C      -8.480322      3.188669      3.805751
  F      -7.680035      3.884954      4.637342
  C      -8.525698      1.789399      3.894888
  C      -7.671040      0.980919      4.823468
  O      -8.090497     -0.063594      5.323700
  N      -6.370474      1.437367      4.977164
  C      -5.843133      1.453441      6.163959
  C      -9.427056      1.119558      3.064792
  H      -7.785864      3.009447      0.613023
  H      -6.594067      3.623513     -0.572101
  H      -7.504317      2.098977     -0.879560
  H      -8.028660      0.201036      0.045286
  H      -8.486494     -1.927911      1.211824
  H      -2.695641     -2.021250      5.541303
  H      -4.659051      0.844479      2.661339
  H      -7.614443     11.192013     -0.383272
  H      -5.972377     11.157685     -1.041768
  H      -7.348421     10.648391     -2.072096
  H      -5.970867     11.031149      1.350728
  H      -5.120040     10.479600      3.626091
  H      -4.695348      3.529196      3.090055
  H      -6.444124      6.822519      0.549550
  H     -12.713503      1.003811     -0.172163
  H     -11.633974      2.421639     -0.323692
  H     -12.775220      2.342502      1.025748
  H     -10.757437      3.764831      1.373067
  H      -9.186465      4.987602      2.873962
  H      -6.472848      1.360954      7.066692
  H      -9.494155      0.034040      3.133915
  N      -2.581580      1.642929      3.096038
  N      -2.570609      1.728776      1.700963
  H      -3.608524      1.968614      1.277649
  H      -2.250239      0.836217      1.291353
  H      -1.918429      2.466927      1.387692
91
Coordinates from ORCA-job orca E -6725.209206413148
  N      -2.035808      0.028560      5.626155
  Mo     -3.116255      1.589339      4.803805
  N      -4.511562      1.636516      6.364519
  C      -4.144311      2.206007      7.664393
  C      -2.639667      2.130536      7.839133
  N      -1.902311      2.414155      6.560523
  C      -0.605259      1.660013      6.558856
  C      -0.880240      0.154058      6.483294
  C      -1.674997      3.873928      6.329754
  C      -2.928785      4.540282      5.786976
  N      -3.459796      3.681617      4.731021
  H      -0.001617     -0.360644      6.063035
  H      -1.077033     -0.287636      7.473037
  H      -0.054018      1.979427      5.664807
  H      -0.007330      1.920265      7.446920
  H      -3.682823      4.719124      6.569279
  H      -2.680303      5.529382      5.372498
  H      -1.323625      4.350154      7.258612
  H      -0.877029      3.951665      5.578296
  H      -4.629050      1.653612      8.487265
  H      -4.497106      3.247260      7.731091
  H      -2.368181      1.116230      8.150622
  H      -2.289969      2.826083      8.617468
  C      -6.990619      2.640653     -0.140070
  C      -5.930511      1.892705      0.596566
  O      -4.787268      2.399857      0.674394
  C      -6.251138      0.610135      1.250132
  C      -7.366289     -0.169954      0.885501
  C      -7.638136     -1.357287      1.550312
  C      -6.810861     -1.772072      2.593367
  F      -7.133786     -2.901410      3.224983
  C      -5.688056     -1.020567      2.999027
  C      -4.760142     -1.487780      4.065553
  O      -4.727412     -2.649296      4.455608
  N      -3.843570     -0.537559      4.564210
  C      -2.815197     -0.980697      5.301098
  C      -5.449034      0.166120      2.307625
  C      -7.071386     10.614069     -1.013525
  C      -6.874236      9.180032     -0.579501
  O      -7.141118      8.247580     -1.332867
  C      -6.340936      8.919372      0.795281
  C      -6.002897      9.950581      1.688774
  C      -5.513184      9.649031      2.954621
  C      -5.348302      8.316545      3.326997
  F      -4.894077      8.088584      4.576668
  C      -5.670906      7.251934      2.466791
  C      -5.536081      5.788207      2.775788
  O      -6.223809      4.973722      2.144353
  N      -4.617542      5.471054      3.767087
  C      -4.275280      4.202291      3.810096
  C      -6.176764      7.593568      1.207346
  C     -12.058057      1.896154      0.329988
  C     -11.043913      1.146753      1.160862
  O     -10.914832     -0.071558      1.060542
  C     -10.177680      1.923552      2.099987
  C     -10.076874      3.326218      2.050626
  C      -9.199800      4.004159      2.890301
  C      -8.418791      3.272448      3.780205
  F      -7.610894      3.953967      4.618016
  C      -8.487994      1.873755      3.863496
  C      -7.656843      1.046320      4.796524
  O      -8.100612      0.007800      5.288603
  N      -6.348323      1.474876      4.962249
  C      -5.833875      1.479861      6.155365
  C      -9.398671      1.223076      3.027653
  H      -7.764619      2.943979      0.583874
  H      -6.567572      3.536034     -0.605842
  H      -7.481364      2.009972     -0.894663
  H      -8.035379      0.142434      0.084721
  H      -8.509967     -1.957418      1.291777
  H      -2.686619     -2.036733      5.577189
  H      -4.635462      0.789486      2.662964
  H      -7.762312     11.137031     -0.335007
  H      -6.117190     11.162471     -0.986621
  H      -7.473827     10.630629     -2.031590
  H      -6.124795     10.995757      1.403992
  H      -5.259458     10.431389      3.670425
  H      -4.660322      3.494450      3.061255
  H      -6.449665      6.788535      0.523954
  H     -12.663981      1.179480     -0.234141
  H     -11.548695      2.571120     -0.375692
  H     -12.706471      2.521225      0.961151
  H     -10.677692      3.898223      1.343073
  H      -9.094902      5.087159      2.856519
  H      -6.475050      1.402158      7.051433
  H      -9.487018      0.138844      3.093791
  N      -2.565322      1.606213      3.102309
  N      -2.550745      1.686887      1.706864
  H      -3.588987      1.912161      1.279970
  H      -2.217309      0.797253      1.301231
  H      -1.908101      2.432931      1.392172
91
Coordinates from ORCA-job orca E -6725.209550995661
  N      -2.030258      0.015607      5.641744
  Mo     -3.100104      1.573904      4.803790
  N      -4.507037      1.659087      6.354304
  C      -4.137219      2.213699      7.660123
  C      -2.633425      2.123307      7.837234
  N      -1.889673      2.403770      6.562700
  C      -0.593964      1.646764      6.567272
  C      -0.871657      0.140982      6.494853
  C      -1.659859      3.862472      6.328237
  C      -2.906638      4.527561      5.767189
  N      -3.423596      3.667301      4.705598
  H       0.004685     -0.375644      6.071939
  H      -1.064794     -0.299518      7.485916
  H      -0.040230      1.963698      5.673903
  H       0.002151      1.907997      7.456282
  H      -3.670254      4.708723      6.539879
  H      -2.652170      5.515941      5.354787
  H      -1.320105      4.343313      7.259093
  H      -0.852663      3.937183      5.586309
  H      -4.626714      1.656645      8.476991
  H      -4.480936      3.257303      7.736227
  H      -2.372268      1.105437      8.145806
  H      -2.279680      2.812224      8.619817
  C      -6.967204      2.574535     -0.165387
  C      -5.915286      1.833333      0.589655
  O      -4.769448      2.333003      0.663563
  C      -6.248932      0.566102      1.266964
  C      -7.374182     -0.207038      0.919815
  C      -7.654688     -1.382020      1.603128
  C      -6.827299     -1.790023      2.648538
  F      -7.157305     -2.905800      3.299917
  C      -5.694687     -1.044115      3.036336
  C      -4.767057     -1.502948      4.105996
  O      -4.747122     -2.656470      4.520400
  N      -3.841781     -0.551512      4.587335
  C      -2.816620     -0.992341      5.328760
  C      -5.445085      0.128634      2.325566
  C      -7.171599     10.617420     -0.959191
  C      -6.941413      9.181202     -0.548882
  O      -7.186413      8.255489     -1.317719
  C      -6.394153      8.910612      0.818591
  C      -6.082889      9.934541      1.730053
  C      -5.579470      9.624031      2.988168
  C      -5.373440      8.290272      3.335148
  F      -4.907727      8.054460      4.578999
  C      -5.667392      7.232467      2.456045
  C      -5.492151      5.767158      2.736818
  O      -6.141867      4.946977      2.072793
  N      -4.580170      5.454651      3.737386
  C      -4.230283      4.187499      3.776901
  C      -6.188446      7.582991      1.204941
  C     -12.032846      1.963175      0.286386
  C     -11.024411      1.214342      1.124857
  O     -10.896794     -0.004521      1.028470
  C     -10.161117      1.992043      2.066166
  C     -10.059692      3.394909      2.015782
  C      -9.181684      4.071576      2.854949
  C      -8.400543      3.339679      3.744842
  F      -7.588798      4.023004      4.578518
  C      -8.473463      1.941828      3.832659
  C      -7.654771      1.116811      4.778412
  O      -8.111679      0.085404      5.273562
  N      -6.340097      1.527841      4.941951
  C      -5.830140      1.526708      6.137630
  C      -9.384414      1.292120      2.996017
  H      -7.746909      2.890635      0.546614
  H      -6.537050      3.462519     -0.638160
  H      -7.452747      1.935313     -0.916248
  H      -8.045141      0.100636      0.118611
  H      -8.532774     -1.978256      1.357034
  H      -2.694524     -2.045602      5.617893
  H      -4.618785      0.744595      2.664102
  H      -7.875086     11.112648     -0.272756
  H      -6.230496     11.187314     -0.921969
  H      -7.573903     10.641649     -1.977171
  H      -6.236827     10.980880      1.465666
  H      -5.345758     10.400037      3.717545
  H      -4.608233      3.479928      3.024759
  H      -6.439318      6.782362      0.508062
  H     -12.633787      1.246174     -0.282978
  H     -11.516080      2.638118     -0.414008
  H     -12.687089      2.588064      0.911622
  H     -10.659858      3.967243      1.308605
  H      -9.078677      5.155280      2.822912
  H      -6.477930      1.465781      7.030131
  H      -9.477248      0.208309      3.063760
  N      -2.546215      1.571484      3.103238
  N      -2.530631      1.647292      1.706842
  H      -3.567589      1.859420      1.276820
  H      -2.185136      0.760509      1.305135
  H      -1.896836      2.400287      1.390212
91
Coordinates from ORCA-job orca E -6725.209916435180
  N      -2.024967      0.000221      5.663709
  Mo     -3.083511      1.553197      4.805156
  N      -4.499837      1.684788      6.344228
  C      -4.126961      2.228117      7.654030
  C      -2.624439      2.121351      7.833720
  N      -1.874767      2.393658      6.561936
  C      -0.581288      1.633474      6.575403
  C      -0.862786      0.127797      6.511583
  C      -1.641915      3.850137      6.319238
  C      -2.881333      4.512198      5.737786
  N      -3.384245      3.647162      4.673513
  H       0.010548     -0.392386      6.086883
  H      -1.051760     -0.308015      7.505409
  H      -0.024488      1.943928      5.681692
  H       0.012889      1.898710      7.464539
  H      -3.654855      4.697519      6.499756
  H      -2.621341      5.498641      5.324726
  H      -1.313732      4.338105      7.250670
  H      -0.825389      3.919038      5.586997
  H      -4.622525      1.670175      8.466608
  H      -4.460573      3.274517      7.736076
  H      -2.375260      1.100505      8.142151
  H      -2.265300      2.805531      8.618179
  C      -6.954755      2.493732     -0.175893
  C      -5.907306      1.759572      0.592683
  O      -4.756967      2.249119      0.653061
  C      -6.249896      0.508257      1.293915
  C      -7.385890     -0.256922      0.965987
  C      -7.676403     -1.416534      1.670808
  C      -6.849642     -1.814444      2.720165
  F      -7.192348     -2.910805      3.397288
  C      -5.705576     -1.075585      3.088227
  C      -4.780979     -1.523070      4.164917
  O      -4.768765     -2.668804      4.600746
  N      -3.843336     -0.570648      4.622500
  C      -2.819527     -1.007036      5.367362
  C      -5.444098      0.079901      2.354426
  C      -7.319361     10.611880     -0.879336
  C      -7.047767      9.174499     -0.499674
  O      -7.283239      8.257507     -1.281612
  C      -6.472370      8.892136      0.853825
  C      -6.177944      9.906013      1.782010
  C      -5.647646      9.584791      3.026198
  C      -5.397688      8.250803      3.342797
  F      -4.906518      8.005664      4.574853
  C      -5.672420      7.202582      2.445623
  C      -5.453561      5.737321      2.693559
  O      -6.070993      4.914785      2.002353
  N      -4.542970      5.428622      3.698633
  C      -4.184018      4.163405      3.736605
  C      -6.221526      7.563772      1.209309
  C     -11.975249      2.067414      0.214279
  C     -10.980591      1.313175      1.064012
  O     -10.864020      0.092431      0.974546
  C     -10.115600      2.087362      2.007162
  C      -9.999446      3.488881      1.950814
  C      -9.119928      4.159509      2.793187
  C      -8.353486      3.423296      3.692840
  F      -7.539701      4.102318      4.528336
  C      -8.443793      2.027546      3.788814
  C      -7.647983      1.200076      4.751486
  O      -8.130408      0.184490      5.254931
  N      -6.325668      1.584866      4.918648
  C      -5.823354      1.579613      6.118108
  C      -9.354630      1.384474      2.947276
  H      -7.737896      2.822261      0.526759
  H      -6.519198      3.373668     -0.657859
  H      -7.438526      1.846040     -0.920807
  H      -8.058874      0.045836      0.164582
  H      -8.562485     -2.007781      1.440463
  H      -2.704469     -2.056170      5.673902
  H      -4.606392      0.689871      2.675132
  H      -8.027138     11.075552     -0.175590
  H      -6.393031     11.204904     -0.841714
  H      -7.734626     10.645136     -1.891942
  H      -6.366041     10.952656      1.541785
  H      -5.425583     10.352307      3.768060
  H      -4.554632      3.454357      2.982292
  H      -6.457951      6.769806      0.499859
  H     -12.576269      1.353856     -0.358614
  H     -11.445639      2.736420     -0.482405
  H     -12.630545      2.699485      0.831795
  H     -10.587615      4.064519      1.236235
  H      -9.006210      5.242391      2.757568
  H      -6.479154      1.539124      7.005649
  H      -9.461725      0.302280      3.019199
  N      -2.530474      1.524277      3.104397
  N      -2.515630      1.590621      1.707108
  H      -3.552282      1.784992      1.272647
  H      -2.155333      0.706703      1.312857
  H      -1.892678      2.350959      1.385985
91
Coordinates from ORCA-job orca E -6725.210298178832
  N      -2.025042     -0.019943      5.693117
  Mo     -3.062621      1.532072      4.810881
  N      -4.490644      1.718447      6.330844
  C      -4.117551      2.250420      7.645195
  C      -2.618353      2.118089      7.834481
  N      -1.856249      2.377683      6.568223
  C      -0.569258      1.608233      6.596468
  C      -0.861875      0.104032      6.540456
  C      -1.612163      3.831006      6.318663
  C      -2.839226      4.495480      5.713767
  N      -3.328567      3.627935      4.645292
  H       0.007612     -0.423711      6.117190
  H      -1.053017     -0.326253      7.536209
  H      -0.003331      1.908579      5.705022
  H       0.020029      1.875030      7.488383
  H      -3.624064      4.687311      6.462375
  H      -2.569110      5.479307      5.301321
  H      -1.296110      4.323718      7.251828
  H      -0.783746      3.890461      5.599174
  H      -4.627115      1.696619      8.451926
  H      -4.435514      3.301503      7.729790
  H      -2.389148      1.092635      8.143326
  H      -2.252941      2.795273      8.622241
  C      -6.933178      2.421587     -0.194225
  C      -5.890743      1.685359      0.579649
  O      -4.733978      2.160772      0.623374
  C      -6.246578      0.454439      1.309873
  C      -7.396523     -0.297478      1.002171
  C      -7.703631     -1.436505      1.732327
  C      -6.880559     -1.823487      2.788276
  F      -7.242603     -2.896576      3.491927
  C      -5.721513     -1.097378      3.137004
  C      -4.804163     -1.535538      4.224594
  O      -4.805105     -2.672766      4.681726
  N      -3.850931     -0.587030      4.660792
  C      -2.831956     -1.022691      5.412291
  C      -5.442112      0.036185      2.375846
  C      -7.514597     10.568490     -0.793072
  C      -7.176321      9.136789     -0.447156
  O      -7.401664      8.224391     -1.237315
  C      -6.562699      8.852754      0.889040
  C      -6.292092      9.860117      1.831476
  C      -5.726276      9.537180      3.059467
  C      -5.417716      8.208483      3.346072
  F      -4.893754      7.962497      4.564181
  C      -5.665649      7.166966      2.432901
  C      -5.389121      5.706767      2.647894
  O      -5.967298      4.877858      1.931910
  N      -4.482961      5.407148      3.660823
  C      -4.117551      4.143693      3.698196
  C      -6.250997      7.529540      1.213581
  C     -11.922012      2.191330      0.149890
  C     -10.929810      1.430565      0.995982
  O     -10.817923      0.209399      0.902490
  C     -10.060927      2.197746      1.941360
  C      -9.929834      3.598060      1.883838
  C      -9.048460      4.260008      2.731571
  C      -8.298240      3.516470      3.639173
  F      -7.485067      4.187726      4.480590
  C      -8.405425      2.121948      3.737113
  C      -7.630851      1.287310      4.711440
  O      -8.139072      0.287457      5.220963
  N      -6.303364      1.647037      4.886506
  C      -5.812919      1.639333      6.091426
  C      -9.315319      1.488334      2.888650
  H      -7.713266      2.767673      0.502642
  H      -6.487597      3.290100     -0.688168
  H      -7.425628      1.770085     -0.930266
  H      -8.068056      0.001280      0.198303
  H      -8.599963     -2.019278      1.519965
  H      -2.729527     -2.067353      5.738199
  H      -4.591832      0.638672      2.676997
  H      -8.226130     10.989488     -0.066465
  H      -6.613143     11.198891     -0.763010
  H      -7.952769     10.602995     -1.795956
  H      -6.526663     10.902641      1.615203
  H      -5.521044     10.299023      3.811937
  H      -4.479311      3.436113      2.938128
  H      -6.468222      6.739162      0.493596
  H     -12.524319      1.482534     -0.427191
  H     -11.391882      2.864371     -0.542615
  H     -12.575585      2.820892      0.772128
  H     -10.505477      4.179186      1.163375
  H      -8.922741      5.341743      2.695291
  H      -6.478717      1.616698      6.972090
  H      -9.435745      0.407333      2.960241
  N      -2.511090      1.472785      3.110551
  N      -2.495049      1.530268      1.712872
  H      -3.530705      1.712858      1.272672
  H      -2.123346      0.647447      1.327118
  H      -1.878290      2.294583      1.388680
91
Coordinates from ORCA-job orca E -6725.210694172317
  N      -2.027251     -0.034647      5.723106
  Mo     -3.045825      1.513359      4.813840
  N      -4.485657      1.749745      6.312692
  C      -4.115965      2.277271      7.629997
  C      -2.620671      2.123896      7.831883
  N      -1.844996      2.369056      6.571301
  C      -0.563794      1.592356      6.618310
  C      -0.865650      0.089128      6.573194
  C      -1.590297      3.819209      6.312312
  C      -2.804565      4.483704      5.682365
  N      -3.279538      3.610210      4.612142
  H       0.002055     -0.446225      6.155680
  H      -1.062188     -0.332979      7.571417
  H       0.013079      1.880553      5.729818
  H       0.018621      1.863553      7.513419
  H      -3.601139      4.682658      6.416272
  H      -2.525045      5.464174      5.268164
  H      -1.286999      4.318519      7.246111
  H      -0.749964      3.868492      5.606167
  H      -4.640114      1.730571      8.432224
  H      -4.421317      3.332345      7.712060
  H      -2.409797      1.095363      8.144073
  H      -2.251661      2.797233      8.621301
  C      -6.894923      2.348953     -0.220057
  C      -5.866595      1.617921      0.577493
  O      -4.705460      2.083415      0.617737
  C      -6.238145      0.404991      1.330304
  C      -7.398932     -0.335847      1.035941
  C      -7.723267     -1.455265      1.789183
  C      -6.905580     -1.831411      2.853577
  F      -7.282725     -2.886014      3.578099
  C      -5.734432     -1.117151      3.187044
  C      -4.822517     -1.548120      4.281731
  O      -4.841811     -2.673955      4.764976
  N      -3.857346     -0.602774      4.697776
  C      -2.844635     -1.034139      5.458656
  C      -5.438817     -0.003545      2.403600
  C      -7.705941     10.534171     -0.689664
  C      -7.311297      9.108621     -0.379935
  O      -7.541192      8.201421     -1.174828
  C      -6.644675      8.822393      0.930082
  C      -6.376985      9.821714      1.881774
  C      -5.765049      9.495614      3.086602
  C      -5.409054      8.172129      3.341411
  F      -4.841653      7.923870      4.539219
  C      -5.651251      7.138887      2.417033
  C      -5.331518      5.683253      2.599091
  O      -5.884127      4.855126      1.863503
  N      -4.427838      5.385282      3.615706
  C      -4.059613      4.122416      3.655474
  C      -6.281623      7.504703      1.221227
  C     -11.886019      2.307051      0.095923
  C     -10.901405      1.535367      0.940179
  O     -10.804130      0.312699      0.848081
  C     -10.019718      2.292350      1.881394
  C      -9.859942      3.689189      1.813920
  C      -8.967796      4.338492      2.660260
  C      -8.238391      3.586443      3.577234
  F      -7.415451      4.244401      4.418016
  C      -8.374041      2.195571      3.684638
  C      -7.619791      1.354076      4.670156
  O      -8.152132      0.371700      5.189372
  N      -6.287604      1.692526      4.851829
  C      -5.806947      1.688682      6.061158
  C      -9.292635      1.574716      2.836920
  H      -7.686088      2.708361      0.457639
  H      -6.435891      3.207603     -0.719999
  H      -7.379922      1.689932     -0.954581
  H      -8.065898     -0.041495      0.226962
  H      -8.627019     -2.030963      1.590025
  H      -2.753233     -2.073034      5.805875
  H      -4.578935      0.592745      2.689801
  H      -8.406644     10.920174      0.066684
  H      -6.824950     11.193822     -0.678510
  H      -8.178562     10.570397     -1.676656
  H      -6.650121     10.859826      1.690987
  H      -5.560431     10.250707      3.846022
  H      -4.412885      3.414863      2.891403
  H      -6.495846      6.719797      0.494210
  H     -12.498285      1.605313     -0.479864
  H     -11.352544      2.975711     -0.598175
  H     -12.529469      2.943113      0.721757
  H     -10.419024      4.276596      1.085544
  H      -8.818484      5.416173      2.615617
  H      -6.480824      1.682414      6.936161
  H      -9.435529      0.497349      2.913985
  N      -2.495310      1.422602      3.115255
  N      -2.476816      1.468731      1.717096
  H      -3.512449      1.634891      1.269218
  H      -2.090474      0.587299      1.342264
  H      -1.868281      2.238007      1.388703
91
Coordinates from ORCA-job orca E -6725.211141975490
  N      -2.031514     -0.052915      5.751281
  Mo     -3.026598      1.495889      4.818818
  N      -4.478561      1.775780      6.295563
  C      -4.115874      2.295163      7.618560
  C      -2.625398      2.119763      7.835690
  N      -1.834041      2.353995      6.582462
  C      -0.560205      1.567949      6.647395
  C      -0.873799      0.066388      6.607860
  C      -1.565568      3.801581      6.320060
  C      -2.764275      4.469849      5.665206
  N      -3.222430      3.594457      4.589345
  H      -0.007845     -0.477368      6.197771
  H      -1.080001     -0.348892      7.606894
  H       0.029571      1.845364      5.763989
  H       0.014798      1.839393      7.547281
  H      -3.574210      4.673277      6.382692
  H      -2.473087      5.447915      5.253505
  H      -1.275779      4.303717      7.256531
  H      -0.712447      3.842158      5.628949
  H      -4.657059      1.753861      8.413094
  H      -4.408277      3.353867      7.700897
  H      -2.433821      1.087744      8.148696
  H      -2.253856      2.786876      8.629148
  C      -6.840395      2.289316     -0.262833
  C      -5.828856      1.559360      0.556741
  O      -4.657987      2.002143      0.583091
  C      -6.224898      0.372825      1.338020
  C      -7.407046     -0.343164      1.065851
  C      -7.755928     -1.437440      1.844936
  C      -6.940287     -1.812112      2.911819
  F      -7.339023     -2.842774      3.659733
  C      -5.750250     -1.120786      3.225196
  C      -4.845028     -1.550015      4.325800
  O      -4.885746     -2.666088      4.829239
  N      -3.865162     -0.613888      4.727073
  C      -2.861435     -1.045916      5.498196
  C      -5.430309     -0.032615      2.416089
  C      -7.932285     10.446463     -0.588395
  C      -7.475316      9.033655     -0.307626
  O      -7.711516      8.123528     -1.097473
  C      -6.740941      8.762615      0.968904
  C      -6.472802      9.762839      1.919464
  C      -5.803196      9.448284      3.096335
  C      -5.391667      8.136051      3.325238
  F      -4.769464      7.900314      4.497886
  C      -5.630739      7.102761      2.399821
  C      -5.259834      5.655760      2.554602
  O      -5.777515      4.823838      1.798214
  N      -4.363842      5.365218      3.579654
  C      -3.991722      4.103757      3.622888
  C      -6.317235      7.457324      1.231717
  C     -11.841493      2.437906      0.041124
  C     -10.871714      1.653960      0.890611
  O     -10.791393      0.429822      0.802301
  C      -9.981219      2.400258      1.831629
  C      -9.792155      3.793150      1.755509
  C      -8.889572      4.429456      2.600804
  C      -8.179366      3.668428      3.524847
  F      -7.343147      4.312514      4.362582
  C      -8.342872      2.280727      3.639950
  C      -7.605161      1.427831      4.629259
  O      -8.158047      0.459634      5.153871
  N      -6.267845      1.743198      4.816860
  C      -5.798184      1.736517      6.030310
  C      -9.272044      1.673450      2.794068
  H      -7.632253      2.676099      0.398305
  H      -6.363153      3.127843     -0.779752
  H      -7.330279      1.621336     -0.986277
  H      -8.071256     -0.047508      0.254971
  H      -8.674358     -1.995058      1.663055
  H      -2.783706     -2.079995      5.863028
  H      -4.552979      0.547078      2.682910
  H      -8.612260     10.802010      0.201125
  H      -7.076171     11.138165     -0.611176
  H      -8.449569     10.472156     -1.553048
  H      -6.791090     10.791702      1.749821
  H      -5.596048     10.203709      3.854768
  H      -4.333631      3.396340      2.853398
  H      -6.530037      6.671453      0.505429
  H     -12.462663      1.744127     -0.535049
  H     -11.298869      3.098558     -0.653302
  H     -12.476570      3.083818      0.665252
  H     -10.334275      4.386859      1.019312
  H      -8.715300      5.503102      2.547577
  H      -6.480339      1.745038      6.899053
  H      -9.435544      0.599452      2.875764
  N      -2.471844      1.377828      3.124199
  N      -2.442226      1.415863      1.726138
  H      -3.475661      1.568253      1.266019
  H      -2.041555      0.536502      1.361455
  H      -1.839050      2.189761      1.398534
91
Coordinates from ORCA-job orca E -6725.211626913700
  N      -2.038221     -0.069684      5.775261
  Mo     -3.010057      1.482558      4.823456
  N      -4.473562      1.794152      6.279952
  C      -4.120950      2.307581      7.608705
  C      -2.635550      2.113550      7.842423
  N      -1.827718      2.338934      6.597025
  C      -0.561606      1.543498      6.679085
  C      -0.886703      0.043930      6.641514
  C      -1.543428      3.784338      6.334831
  C      -2.725051      4.458841      5.657380
  N      -3.166671      3.583460      4.574863
  H      -0.021651     -0.507989      6.240966
  H      -1.105981     -0.365148      7.640179
  H       0.041515      1.811908      5.802072
  H       0.005679      1.812895      7.584559
  H      -3.547840      4.665334      6.358758
  H      -2.421139      5.434700      5.249822
  H      -1.265749      4.286693      7.274684
  H      -0.678442      3.816700      5.658234
  H      -4.679430      1.771844      8.394964
  H      -4.402430      3.369297      7.690184
  H      -2.461253      1.078826      8.155937
  H      -2.263169      2.775009      8.640052
  C      -6.783173      2.240798     -0.308627
  C      -5.790556      1.513138      0.535672
  O      -4.610006      1.932047      0.552020
  C      -6.213972      0.355507      1.344032
  C      -7.418631     -0.332405      1.094808
  C      -7.790322     -1.403373      1.896059
  C      -6.974361     -1.782571      2.961566
  F      -7.389804     -2.794293      3.727062
  C      -5.767028     -1.115295      3.256050
  C      -4.866688     -1.546176      4.358795
  O      -4.927983     -2.653930      4.878084
  N      -3.873807     -0.620885      4.748987
  C      -2.880566     -1.054893      5.530906
  C      -5.423845     -0.051131      2.424913
  C      -8.168428     10.332037     -0.480915
  C      -7.661717      8.932816     -0.218569
  O      -7.920418      8.011187     -0.988161
  C      -6.841507      8.691259      1.010646
  C      -6.553651      9.702058      1.944094
  C      -5.810842      9.411038      3.082278
  C      -5.347315      8.112702      3.290661
  F      -4.653411      7.902106      4.427045
  C      -5.601480      7.070182      2.379493
  C      -5.184170      5.632604      2.513536
  O      -5.665719      4.796586      1.736348
  N      -4.299338      5.349882      3.549073
  C      -3.925313      4.089678      3.599163
  C      -6.358975      7.402010      1.249070
  C     -11.793478      2.568723     -0.014504
  C     -10.842912      1.769750      0.842354
  O     -10.789507      0.543687      0.764663
  C      -9.943449      2.502824      1.784668
  C      -9.717157      3.889356      1.696485
  C      -8.804408      4.510769      2.541805
  C      -8.118163      3.740496      3.475371
  F      -7.269550      4.369222      4.313087
  C      -8.314165      2.357186      3.599582
  C      -7.594019      1.491141      4.591053
  O      -8.163386      0.532524      5.115874
  N      -6.251520      1.784786      4.785822
  C      -5.792091      1.773498      6.002436
  C      -9.257024      1.765728      2.756620
  H      -7.576543      2.653876      0.334770
  H      -6.288111      3.058205     -0.841897
  H      -7.275464      1.563072     -1.021655
  H      -8.081317     -0.032978      0.283656
  H      -8.723686     -1.940025      1.729369
  H      -2.816263     -2.084534      5.910964
  H      -4.528139      0.507959      2.673759
  H      -8.808689     10.675804      0.345989
  H      -7.333614     11.045679     -0.559305
  H      -8.743008     10.337905     -1.412892
  H      -6.914083     10.719549      1.791467
  H      -5.585425     10.174546      3.827339
  H      -4.256175      3.381657      2.825583
  H      -6.583354      6.608977      0.534687
  H     -12.428057      1.884891     -0.588199
  H     -11.238509      3.215114     -0.712166
  H     -12.416068      3.230328      0.605501
  H     -10.238385      4.489624      0.950389
  H      -8.600141      5.578741      2.477947
  H      -6.480839      1.792359      6.865965
  H      -9.447648      0.697053      2.847936
  N      -2.450280      1.342322      3.133573
  N      -2.407151      1.375552      1.735858
  H      -3.438967      1.513847      1.264603
  H      -1.991993      0.499786      1.378612
  H      -1.810421      2.155494      1.410939
91
Coordinates from ORCA-job orca E -6725.212079168041
  N      -2.038392     -0.078818      5.790462
  Mo     -2.999540      1.472116      4.825151
  N      -4.470766      1.804298      6.268141
  C      -4.126340      2.311172      7.602182
  C      -2.643486      2.108258      7.845639
  N      -1.826568      2.331409      6.605360
  C      -0.562355      1.534360      6.696856
  C      -0.889422      0.034993      6.660285
  C      -1.537333      3.776085      6.344375
  C      -2.709135      4.449659      5.649666
  N      -3.132170      3.573313      4.560627
  H      -0.024161     -0.519185      6.263624
  H      -1.113040     -0.371164      7.659091
  H       0.046664      1.800023      5.823165
  H       0.000320      1.804049      7.605182
  H      -3.543217      4.653491      6.338379
  H      -2.400162      5.425785      5.246938
  H      -1.271285      4.279839      7.286843
  H      -0.663740      3.806576      5.678741
  H      -4.694001      1.775039      8.381546
  H      -4.403155      3.373939      7.686402
  H      -2.477212      1.072046      8.157992
  H      -2.271599      2.765834      8.646687
  C      -6.752534      2.185956     -0.333748
  C      -5.768863      1.462786      0.524893
  O      -4.581918      1.863499      0.529339
  C      -6.208769      0.328459      1.355495
  C      -7.431174     -0.336489      1.129507
  C      -7.818604     -1.386198      1.951007
  C      -7.000396     -1.767790      3.013737
  F      -7.429176     -2.758728      3.798561
  C      -5.777488     -1.121286      3.286916
  C      -4.877520     -1.549597      4.390103
  O      -4.948692     -2.651010      4.922244
  N      -3.875979     -0.629034      4.767732
  C      -2.887375     -1.060756      5.555775
  C      -5.417767     -0.079074      2.435336
  C      -8.333163     10.248921     -0.395065
  C      -7.802198      8.857163     -0.141746
  O      -8.083203      7.926029     -0.891963
  C      -6.922232      8.636604      1.049488
  C      -6.617001      9.654879      1.969320
  C      -5.819381      9.381150      3.073989
  C      -5.319099      8.093464      3.263358
  F      -4.568841      7.902677      4.366739
  C      -5.588015      7.044156      2.363960
  C      -5.134435      5.614868      2.477381
  O      -5.580777      4.781708      1.675230
  N      -4.262797      5.334106      3.524068
  C      -3.882662      4.075706      3.576831
  C      -6.399089      7.359532      1.266183
  C     -11.747022      2.683015     -0.066022
  C     -10.811373      1.869800      0.793841
  O     -10.770540      0.643615      0.711204
  C      -9.906453      2.589743      1.741223
  C      -9.657800      3.972235      1.652922
  C      -8.739354      4.580232      2.501507
  C      -8.067715      3.800039      3.437155
  F      -7.211995      4.416418      4.278027
  C      -8.284268      2.419456      3.560938
  C      -7.580400      1.540718      4.552125
  O      -8.161046      0.582926      5.065312
  N      -6.234759      1.817181      4.757864
  C      -5.787456      1.798662      5.978426
  C      -9.234527      1.842176      2.715697
  H      -7.543894      2.615999      0.300603
  H      -6.249342      2.989062     -0.880024
  H      -7.247906      1.499900     -1.036903
  H      -8.096099     -0.034746      0.320827
  H      -8.765516     -1.903618      1.800253
  H      -2.828835     -2.086191      5.947954
  H      -4.505736      0.460776      2.666494
  H      -8.941629     10.593131      0.455197
  H      -7.509994     10.970180     -0.513976
  H      -8.946228     10.241226     -1.302228
  H      -7.005626     10.664079      1.831798
  H      -5.576868     10.150653      3.807445
  H      -4.200479      3.366941      2.798679
  H      -6.632641      6.561992      0.560187
  H     -12.386463      2.008932     -0.645685
  H     -11.181001      3.325365     -0.758440
  H     -12.365730      3.349683      0.552731
  H     -10.166265      4.580054      0.904085
  H      -8.518165      5.644981      2.437376
  H      -6.483462      1.824203      6.835856
  H      -9.442538      0.776718      2.809159
  N      -2.436676      1.316594      3.138544
  N      -2.382397      1.347578      1.740987
  H      -3.412025      1.467554      1.260205
  H      -1.949063      0.478879      1.388527
  H      -1.797070      2.137440      1.419232
91
Coordinates from ORCA-job orca E -6725.212616695546
  N      -2.038480     -0.081107      5.797919
  Mo     -2.995731      1.469887      4.824992
  N      -4.478371      1.797516      6.257975
  C      -4.146488      2.302141      7.596759
  C      -2.665256      2.100490      7.852632
  N      -1.838139      2.328038      6.619599
  C      -0.573158      1.533238      6.719455
  C      -0.896875      0.034066      6.677117
  C      -1.545538      3.773066      6.366481
  C      -2.707402      4.447467      5.657772
  N      -3.111453      3.572829      4.560689
  H      -0.028042     -0.519077      6.287285
  H      -1.128718     -0.372521      7.673853
  H       0.041242      1.802883      5.850843
  H      -0.017030      1.800960      7.632423
  H      -3.552446      4.646119      6.334869
  H      -2.393350      5.424721      5.262134
  H      -1.290465      4.274444      7.313293
  H      -0.664297      3.804830      5.710824
  H      -4.720963      1.763685      8.369440
  H      -4.424577      3.364660      7.680984
  H      -2.499731      1.063908      8.163447
  H      -2.299510      2.756140      8.658051
  C      -6.724934      2.160167     -0.345448
  C      -5.744787      1.438318      0.519070
  O      -4.555023      1.829428      0.521544
  C      -6.196232      0.317523      1.359750
  C      -7.431140     -0.330186      1.150122
  C      -7.827912     -1.368990      1.980431
  C      -7.007993     -1.759063      3.038059
  F      -7.443655     -2.739117      3.831503
  C      -5.775121     -1.127852      3.297084
  C      -4.874915     -1.554843      4.399310
  O      -4.948098     -2.654981      4.935879
  N      -3.872174     -0.634586      4.771841
  C      -2.888859     -1.062038      5.568090
  C      -5.403519     -0.098220      2.435247
  C      -8.453137     10.189643     -0.323584
  C      -7.933221      8.797580     -0.050924
  O      -8.280897      7.844469     -0.743698
  C      -6.973940      8.604911      1.082479
  C      -6.607366      9.643932      1.955876
  C      -5.737556      9.393284      3.010045
  C      -5.227067      8.109070      3.196312
  F      -4.397564      7.945862      4.245862
  C      -5.554916      7.039374      2.341375
  C      -5.094095      5.610787      2.452673
  O      -5.521450      4.779540      1.635955
  N      -4.237656      5.329863      3.510923
  C      -3.854639      4.072710      3.569699
  C      -6.434865      7.333302      1.291437
  C     -11.738058      2.744856     -0.092837
  C     -10.801636      1.921371      0.756903
  O     -10.769035      0.695514      0.668054
  C      -9.895676      2.630806      1.711976
  C      -9.638283      4.011343      1.630641
  C      -8.720137      4.610577      2.485093
  C      -8.051912      3.822287      3.416262
  F      -7.195717      4.432941      4.263981
  C      -8.274334      2.441931      3.532194
  C      -7.577879      1.552142      4.516106
  O      -8.154431      0.579738      5.004426
  N      -6.231191      1.824704      4.734809
  C      -5.794420      1.795586      5.957961
  C      -9.229391      1.874437      2.683942
  H      -7.514218      2.593648      0.289081
  H      -6.221688      2.959047     -0.896365
  H      -7.219516      1.469942     -1.045292
  H      -8.099462     -0.023626      0.345652
  H      -8.785518     -1.868989      1.837507
  H      -2.831209     -2.084135      5.968708
  H      -4.477682      0.421651      2.656504
  H      -8.995697     10.578409      0.551501
  H      -7.625687     10.886917     -0.524051
  H      -9.125508     10.161833     -1.187373
  H      -7.002962     10.650733      1.821162
  H      -5.442498     10.179415      3.705654
  H      -4.161296      3.362623      2.788728
  H      -6.709735      6.522385      0.616808
  H     -12.381953      2.077599     -0.675159
  H     -11.171620      3.389884     -0.782397
  H     -12.353769      3.409043      0.532127
  H     -10.142915      4.626368      0.885187
  H      -8.497175      5.675366      2.429355
  H      -6.495861      1.815444      6.810769
  H      -9.446182      0.810560      2.778316
  N      -2.426242      1.311585      3.142020
  N      -2.356635      1.347410      1.744856
  H      -3.382412      1.448781      1.255182
  H      -1.903405      0.489385      1.391944
  H      -1.785141      2.150624      1.431422
91
Coordinates from ORCA-job orca E -6725.213114353163
  N      -2.048357     -0.089630      5.814789
  Mo     -2.991006      1.462281      4.827448
  N      -4.480042      1.815678      6.248569
  C      -4.151753      2.316515      7.589694
  C      -2.674123      2.100265      7.856280
  N      -1.837140      2.319543      6.629924
  C      -0.577402      1.517367      6.739417
  C      -0.909917      0.021196      6.698510
  C      -1.532710      3.761093      6.376745
  C      -2.681195      4.439822      5.650672
  N      -3.072828      3.563866      4.550723
  H      -0.043366     -0.538668      6.313128
  H      -1.147685     -0.382109      7.695323
  H       0.041911      1.783439      5.873116
  H      -0.024353      1.783249      7.654740
  H      -3.534949      4.643619      6.315708
  H      -2.356335      5.414407      5.257414
  H      -1.285711      4.264260      7.324826
  H      -0.643702      3.785005      5.731279
  H      -4.736075      1.782814      8.358210
  H      -4.418810      3.382098      7.672178
  H      -2.519767      1.062260      8.168464
  H      -2.307533      2.752317      8.664380
  C      -6.713179      2.120638     -0.349697
  C      -5.735168      1.397102      0.517308
  O      -4.542653      1.775805      0.515031
  C      -6.198043      0.292341      1.372788
  C      -7.443157     -0.338797      1.177554
  C      -7.852763     -1.360940      2.021096
  C      -7.038286     -1.750043      3.081930
  F      -7.488784     -2.707802      3.892038
  C      -5.793287     -1.136312      3.325772
  C      -4.897271     -1.556055      4.434431
  O      -4.977828     -2.649388      4.985352
  N      -3.885691     -0.638729      4.792961
  C      -2.908560     -1.064415      5.597720
  C      -5.405712     -0.126185      2.447795
  C      -8.646877     10.082520     -0.189003
  C      -8.102899      8.700173      0.085389
  O      -8.506900      7.723968     -0.541788
  C      -7.055715      8.543503      1.143897
  C      -6.638307      9.603494      1.968227
  C      -5.687597      9.383023      2.957032
  C      -5.148183      8.108395      3.128365
  F      -4.232424      7.978905      4.108478
  C      -5.524681      7.018516      2.319880
  C      -5.041774      5.596642      2.422236
  O      -5.449101      4.767174      1.593486
  N      -4.191979      5.319311      3.487807
  C      -3.806297      4.062797      3.551296
  C      -6.482643      7.283896      1.332264
  C     -11.667544      2.832641     -0.176982
  C     -10.742369      2.004389      0.680712
  O     -10.710566      0.778790      0.587174
  C      -9.842241      2.709120      1.645857
  C      -9.578527      4.088222      1.568007
  C      -8.668224      4.682454      2.433979
  C      -8.011479      3.890584      3.371009
  F      -7.163424      4.502076      4.228555
  C      -8.241272      2.512028      3.484326
  C      -7.565240      1.616524      4.474486
  O      -8.153759      0.644452      4.948267
  N      -6.216790      1.871242      4.708407
  C      -5.793652      1.832901      5.936011
  C      -9.190744      1.950478      2.625473
  H      -7.496767      2.561337      0.286590
  H      -6.207595      2.914219     -0.905854
  H      -7.212556      1.429083     -1.044766
  H      -8.111621     -0.031443      0.373558
  H      -8.820243     -1.844684      1.886814
  H      -2.859129     -2.080835      6.013165
  H      -4.466137      0.373138      2.658032
  H      -9.119254     10.499206      0.713688
  H      -7.838353     10.771464     -0.475259
  H      -9.385393     10.027816     -0.995583
  H      -7.056271     10.602950      1.846705
  H      -5.348370     10.186082      3.611962
  H      -4.108557      3.349634      2.771626
  H      -6.793064      6.457907      0.692160
  H     -12.305726      2.168419     -0.768605
  H     -11.088905      3.477254     -0.857176
  H     -12.290245      3.497158      0.441034
  H     -10.072594      4.706988      0.818888
  H      -8.446373      5.747688      2.385398
  H      -6.502612      1.860274      6.781944
  H      -9.415000      0.888074      2.720984
  N      -2.421469      1.287999      3.146215
  N      -2.343374      1.323295      1.748802
  H      -3.363122      1.416000      1.253975
  H      -1.879747      0.470366      1.397571
  H      -1.778681      2.132883      1.438774
91
Coordinates from ORCA-job orca E -6725.213624718795
  N      -2.048954     -0.081334      5.817150
  Mo     -2.998773      1.467116      4.829010
  N      -4.493105      1.812734      6.246548
  C      -4.169989      2.309387      7.589705
  C      -2.692804      2.097099      7.861748
  N      -1.852360      2.324250      6.640783
  C      -0.588345      1.528733      6.751046
  C      -0.913291      0.032230      6.704101
  C      -1.553831      3.767450      6.395677
  C      -2.701267      4.442176      5.663855
  N      -3.078084      3.567539      4.557989
  H      -0.043328     -0.522114      6.318033
  H      -1.150416     -0.377138      7.698681
  H       0.029922      1.802896      5.886372
  H      -0.039084      1.795100      7.668436
  H      -3.561401      4.638360      6.322997
  H      -2.379641      5.420338      5.276963
  H      -1.315213      4.268658      7.347030
  H      -0.661060      3.798019      5.755738
  H      -4.754215      1.770279      8.354649
  H      -4.440289      3.373982      7.674779
  H      -2.535214      1.058481      8.171139
  H      -2.332762      2.747566      8.674225
  C      -6.737380      2.102185     -0.334933
  C      -5.749936      1.383967      0.527060
  O      -4.561721      1.772044      0.524706
  C      -6.202425      0.271905      1.380015
  C      -7.443874     -0.365435      1.186147
  C      -7.847213     -1.390574      2.028473
  C      -7.031862     -1.774464      3.089913
  F      -7.479522     -2.730151      3.902876
  C      -5.787097     -1.156292      3.330180
  C      -4.889005     -1.569259      4.440796
  O      -4.958263     -2.664016      4.990477
  N      -3.883424     -0.642724      4.796402
  C      -2.904849     -1.060029      5.604978
  C      -5.404021     -0.145535      2.451059
  C      -8.700168     10.078146     -0.114593
  C      -8.170458      8.694577      0.179455
  O      -8.644279      7.703582     -0.371283
  C      -7.053857      8.553594      1.166323
  C      -6.568598      9.628634      1.932046
  C      -5.556449      9.420359      2.861169
  C      -5.026642      8.141671      3.034112
  F      -4.043609      8.024192      3.948740
  C      -5.473414      7.036639      2.284797
  C      -5.011111      5.610926      2.399624
  O      -5.422126      4.784190      1.572020
  N      -4.182179      5.327121      3.481682
  C      -3.801724      4.069279      3.550322
  C      -6.485097      7.291653      1.350036
  C     -11.650107      2.831817     -0.212349
  C     -10.714566      2.005313      0.635274
  O     -10.642237      0.784628      0.502484
  C      -9.833909      2.707580      1.620186
  C      -9.597189      4.092778      1.572184
  C      -8.704360      4.684841      2.457867
  C      -8.035341      3.885768      3.380349
  F      -7.197943      4.496258      4.248601
  C      -8.244027      2.503350      3.467600
  C      -7.563230      1.601790      4.446970
  O      -8.142789      0.614257      4.899825
  N      -6.220753      1.870700      4.696943
  C      -5.805152      1.825785      5.927018
  C      -9.178102      1.943673      2.591431
  H      -7.519911      2.534702      0.308504
  H      -6.240047      2.902551     -0.889380
  H      -7.235275      1.409894     -1.029849
  H      -8.116952     -0.058759      0.386052
  H      -8.814117     -1.876964      1.896292
  H      -2.849223     -2.073876      6.025715
  H      -4.464057      0.353917      2.659652
  H      -9.098717     10.543932      0.799832
  H      -7.895854     10.731792     -0.483420
  H      -9.494325     10.010699     -0.865416
  H      -6.980199     10.631010      1.811626
  H      -5.160749     10.235814      3.467232
  H      -4.092797      3.357832      2.764467
  H      -6.844075      6.453877      0.751458
  H     -12.264339      2.167104     -0.828010
  H     -11.077448      3.506635     -0.868399
  H     -12.296234      3.465870      0.413638
  H     -10.096796      4.719029      0.832745
  H      -8.507904      5.755247      2.436189
  H      -6.518928      1.838181      6.769131
  H      -9.384989      0.876482      2.666771
  N      -2.432025      1.297613      3.146147
  N      -2.352622      1.342736      1.748914
  H      -3.369509      1.418609      1.254550
  H      -1.870847      0.501805      1.393470
  H      -1.804147      2.166147      1.445559
91
Coordinates from ORCA-job orca E -6725.214177542902
  N      -2.043661     -0.078036      5.826490
  Mo     -2.993307      1.466298      4.831462
  N      -4.503323      1.808995      6.230118
  C      -4.198020      2.297294      7.580665
  C      -2.724288      2.086688      7.870406
  N      -1.869388      2.324634      6.661149
  C      -0.602298      1.537161      6.782911
  C      -0.917952      0.038780      6.726356
  C      -1.575893      3.771183      6.427070
  C      -2.714712      4.440612      5.677743
  N      -3.063968      3.566922      4.562218
  H      -0.040532     -0.508382      6.346961
  H      -1.163830     -0.376445      7.716149
  H       0.025096      1.817187      5.926785
  H      -0.065755      1.804200      7.707685
  H      -3.588736      4.626455      6.320629
  H      -2.394407      5.422949      5.300531
  H      -1.356966      4.269927      7.384376
  H      -0.672393      3.810736      5.802902
  H      -4.791272      1.751620      8.334099
  H      -4.473444      3.360045      7.670321
  H      -2.569090      1.046375      8.175191
  H      -2.376894      2.732655      8.691924
  C      -6.700274      2.087102     -0.353503
  C      -5.718943      1.363494      0.510497
  O      -4.527739      1.743545      0.503414
  C      -6.179257      0.260686      1.372124
  C      -7.430378     -0.361726      1.187537
  C      -7.841798     -1.377514      2.038351
  C      -7.023351     -1.764848      3.097277
  F      -7.478471     -2.709943      3.920170
  C      -5.770254     -1.160199      3.328420
  C      -4.873849     -1.577610      4.438827
  O      -4.948548     -2.670501      4.989724
  N      -3.869979     -0.650647      4.796222
  C      -2.895488     -1.060341      5.613440
  C      -5.380363     -0.158936      2.441788
  C      -8.788256     10.006644     -0.044085
  C      -8.254446      8.629779      0.272061
  O      -8.771563      7.623039     -0.207118
  C      -7.076989      8.515427      1.188783
  C      -6.550301      9.608574      1.899403
  C      -5.483184      9.423643      2.770765
  C      -4.941804      8.149565      2.942778
  F      -3.903587      8.052468      3.796996
  C      -5.430359      7.027506      2.248121
  C      -4.960537      5.605674      2.369096
  O      -5.355170      4.775833      1.538131
  N      -4.157437      5.323903      3.471318
  C      -3.774904      4.067726      3.544092
  C      -6.492587      7.259716      1.365547
  C     -11.684633      2.901218     -0.198959
  C     -10.731325      2.064990      0.617510
  O     -10.666936      0.844702      0.474495
  C      -9.844118      2.752181      1.606378
  C      -9.603859      4.137609      1.576524
  C      -8.701901      4.713298      2.464028
  C      -8.026663      3.898643      3.367407
  F      -7.173124      4.489273      4.231113
  C      -8.241367      2.515912      3.438829
  C      -7.557555      1.599596      4.404298
  O      -8.139908      0.610424      4.850752
  N      -6.217402      1.870704      4.663262
  C      -5.811794      1.820548      5.896451
  C      -9.184587      1.972623      2.562418
  H      -7.478334      2.531778      0.287045
  H      -6.193510      2.878361     -0.912743
  H      -7.207117      1.397013     -1.044108
  H      -8.104714     -0.048875      0.390686
  H      -8.814691     -1.854139      1.915778
  H      -2.837126     -2.071352      6.041028
  H      -4.433540      0.331604      2.640985
  H      -9.127046     10.511338      0.873541
  H      -8.001836     10.637241     -0.485378
  H      -9.627114      9.919445     -0.742453
  H      -6.971835     10.607056      1.780776
  H      -5.052884     10.254010      3.331294
  H      -4.045506      3.359402      2.747896
  H      -6.878031      6.408553      0.803768
  H     -12.311219      2.244339     -0.810837
  H     -11.128450      3.586551     -0.857832
  H     -12.316765      3.525573      0.450537
  H     -10.105326      4.776911      0.849118
  H      -8.502226      5.783174      2.456196
  H      -6.533655      1.825668      6.732223
  H      -9.394591      0.905593      2.623599
  N      -2.418456      1.296824      3.152073
  N      -2.326703      1.347850      1.756442
  H      -3.340383      1.391542      1.251236
  H      -1.813935      0.522855      1.406771
  H      -1.800587      2.188460      1.460637
91
Coordinates from ORCA-job orca E -6725.214521929905
  N      -2.045640     -0.067165      5.828672
  Mo     -3.001186      1.474771      4.838273
  N      -4.514116      1.819717      6.232821
  C      -4.211136      2.295069      7.587540
  C      -2.739220      2.079510      7.882322
  N      -1.880229      2.328214      6.680634
  C      -0.610228      1.544715      6.799741
  C      -0.921643      0.046142      6.732078
  C      -1.595488      3.778283      6.456326
  C      -2.734231      4.443248      5.700827
  N      -3.068176      3.571360      4.579685
  H      -0.041325     -0.494315      6.348757
  H      -1.166425     -0.381126      7.717200
  H       0.017454      1.832800      5.946412
  H      -0.077779      1.809703      7.727363
  H      -3.614712      4.622268      6.336142
  H      -2.418863      5.430023      5.329997
  H      -1.388526      4.275068      7.417042
  H      -0.687235      3.828981      5.840455
  H      -4.806199      1.742541      8.334724
  H      -4.485751      3.357026      7.686282
  H      -2.586515      1.036518      8.180792
  H      -2.399661      2.718565      8.712619
  C      -6.721207      2.079309     -0.360211
  C      -5.733098      1.356142      0.496529
  O      -4.546517      1.748840      0.486888
  C      -6.180087      0.242090      1.357851
  C      -7.416987     -0.402741      1.159207
  C      -7.816437     -1.427978      2.006393
  C      -7.001593     -1.794765      3.076208
  F      -7.447700     -2.744966      3.900058
  C      -5.759096     -1.170311      3.317134
  C      -4.866616     -1.582257      4.434813
  O      -4.937571     -2.673820      4.985373
  N      -3.869162     -0.648833      4.795778
  C      -2.894702     -1.053215      5.615374
  C      -5.380520     -0.161884      2.433494
  C      -8.815098      9.996027      0.022644
  C      -8.291516      8.618990      0.354765
  O      -8.867246      7.607281     -0.041364
  C      -7.065505      8.509827      1.205424
  C      -6.484778      9.611014      1.859152
  C      -5.373168      9.432762      2.675634
  C      -4.844355      8.154199      2.850652
  F      -3.758301      8.051437      3.643432
  C      -5.388478      7.025804      2.214306
  C      -4.930219      5.605364      2.355982
  O      -5.317425      4.768259      1.532760
  N      -4.148429      5.332376      3.479971
  C      -3.761827      4.078420      3.551611
  C      -6.489870      7.249601      1.380611
  C     -11.692471      2.886353     -0.207236
  C     -10.718204      2.063927      0.596949
  O     -10.638784      0.844179      0.453830
  C      -9.844764      2.757626      1.592229
  C      -9.633075      4.149185      1.581608
  C      -8.739360      4.726100      2.477180
  C      -8.043897      3.911922      3.365841
  F      -7.193023      4.506592      4.226373
  C      -8.241618      2.525845      3.425330
  C      -7.557193      1.613895      4.398344
  O      -8.154289      0.641917      4.865997
  N      -6.220752      1.884321      4.657756
  C      -5.818481      1.832629      5.893378
  C      -9.174907      1.980026      2.541155
  H      -7.493177      2.530073      0.283755
  H      -6.212347      2.870020     -0.920717
  H      -7.239039      1.394011     -1.046640
  H      -8.089148     -0.101587      0.355838
  H      -8.775548     -1.928833      1.878354
  H      -2.831657     -2.063429      6.044460
  H      -4.443898      0.346925      2.636604
  H      -9.089475     10.540519      0.939357
  H      -8.041453     10.592320     -0.485698
  H      -9.696034      9.903851     -0.620740
  H      -6.899172     10.612516      1.740636
  H      -4.900478     10.270567      3.188897
  H      -4.024917      3.372583      2.751209
  H      -6.910690      6.390852      0.857856
  H     -12.313373      2.221229     -0.817224
  H     -11.150378      3.582155     -0.866807
  H     -12.326106      3.499394      0.449876
  H     -10.147149      4.791730      0.866718
  H      -8.569738      5.800674      2.490715
  H      -6.545364      1.837253      6.725531
  H      -9.368985      0.909871      2.585374
  N      -2.429540      1.311976      3.155874
  N      -2.344930      1.379863      1.760487
  H      -3.357581      1.418429      1.261853
  H      -1.822656      0.563254      1.403307
  H      -1.827604      2.228787      1.472321
91
Coordinates from ORCA-job orca E -6725.214895903314
  N      -2.047766     -0.066075      5.830892
  Mo     -3.001569      1.476357      4.838043
  N      -4.519055      1.822733      6.226708
  C      -4.224950      2.291699      7.586252
  C      -2.754212      2.073689      7.886490
  N      -1.889450      2.328000      6.689330
  C      -0.619157      1.546455      6.812399
  C      -0.927290      0.047533      6.738831
  C      -1.604408      3.779220      6.471904
  C      -2.735157      4.443678      5.706033
  N      -3.052361      3.573719      4.578735
  H      -0.044793     -0.490493      6.357842
  H      -1.176006     -0.381684      7.722041
  H       0.012732      1.837327      5.963275
  H      -0.091022      1.808833      7.743261
  H      -3.624500      4.616061      6.330833
  H      -2.418327      5.432214      5.341496
  H      -1.407764      4.273597      7.435957
  H      -0.690365      3.833194      5.864961
  H      -4.825089      1.735593      8.326547
  H      -4.499892      3.353238      7.689604
  H      -2.603684      1.029248      8.179938
  H      -2.416872      2.708026      8.721185
  C      -6.714378      2.047476     -0.370669
  C      -5.729145      1.333003      0.496844
  O      -4.540177      1.720103      0.483867
  C      -6.181535      0.228020      1.364366
  C      -7.426470     -0.406050      1.178286
  C      -7.831193     -1.420957      2.035473
  C      -7.013050     -1.789454      3.102002
  F      -7.459582     -2.734243      3.932067
  C      -5.765852     -1.173176      3.332341
  C      -4.870733     -1.581918      4.447251
  O      -4.943539     -2.670846      5.003900
  N      -3.871433     -0.649256      4.801052
  C      -2.898344     -1.050708      5.622878
  C      -5.381296     -0.176375      2.438767
  C      -8.908155      9.932065      0.112545
  C      -8.371249      8.564988      0.463260
  O      -8.965592      7.542560      0.125955
  C      -7.096443      8.478503      1.241660
  C      -6.485889      9.594552      1.840851
  C      -5.330381      9.436253      2.597960
  C      -4.787857      8.163303      2.770205
  F      -3.654383      8.081623      3.495968
  C      -5.359843      7.020397      2.185955
  C      -4.889055      5.602439      2.328646
  O      -5.255264      4.763244      1.494957
  N      -4.124020      5.332474      3.464372
  C      -3.736041      4.079542      3.542993
  C      -6.503983      7.224520      1.406490
  C     -11.652613      2.948471     -0.249749
  C     -10.699413      2.111974      0.565646
  O     -10.609155      0.896450      0.398218
  C      -9.829036      2.795072      1.570843
  C      -9.610927      4.185222      1.570515
  C      -8.719762      4.753519      2.473771
  C      -8.029799      3.931357      3.358757
  F      -7.177831      4.517155      4.227129
  C      -8.231067      2.544409      3.406547
  C      -7.552437      1.623102      4.373895
  O      -8.146577      0.641616      4.824141
  N      -6.216694      1.892572      4.644201
  C      -5.822752      1.836065      5.881389
  C      -9.164857      2.007182      2.516374
  H      -7.492678      2.496986      0.266976
  H      -6.206808      2.836633     -0.933494
  H      -7.224567      1.355161     -1.056139
  H      -8.100238     -0.104283      0.376198
  H      -8.795402     -1.913473      1.914216
  H      -2.835141     -2.058473      6.057669
  H      -4.437696      0.322411      2.632741
  H      -9.136136     10.505186      1.024381
  H      -8.160582     10.510594     -0.451746
  H      -9.820029      9.822264     -0.483272
  H      -6.911023     10.591803      1.725777
  H      -4.832708     10.286204      3.065675
  H      -3.986837      3.373819      2.739218
  H      -6.946507      6.355148      0.921006
  H     -12.264415      2.293585     -0.879322
  H     -11.095327      3.649262     -0.891181
  H     -12.296515      3.557089      0.401519
  H     -10.119587      4.834583      0.857883
  H      -8.545824      5.827674      2.493922
  H      -6.553793      1.836899      6.709671
  H      -9.364596      0.937303      2.554876
  N      -2.430281      1.310736      3.156630
  N      -2.339884      1.386285      1.761256
  H      -3.351260      1.413004      1.258062
  H      -1.804743      0.579551      1.401211
  H      -1.834261      2.244044      1.478895
91
Coordinates from ORCA-job orca E -6725.215167264327
  N      -2.040296     -0.055836      5.830136
  Mo     -3.001961      1.476506      4.832242
  N      -4.519253      1.835651      6.218354
  C      -4.227538      2.297525      7.581307
  C      -2.754997      2.082051      7.877771
  N      -1.894072      2.341982      6.679444
  C      -0.617937      1.569877      6.801576
  C      -0.915333      0.067582      6.731300
  C      -1.623006      3.794761      6.458901
  C      -2.756744      4.444917      5.683693
  N      -3.055690      3.570466      4.554364
  H      -0.031398     -0.464389      6.345608
  H      -1.154821     -0.361556      7.716637
  H       0.010884      1.862772      5.950867
  H      -0.089795      1.837667      7.730962
  H      -3.653047      4.606966      6.301647
  H      -2.449109      5.436496      5.320299
  H      -1.437521      4.294385      7.422673
  H      -0.706023      3.856794      5.857073
  H      -4.824843      1.734194      8.318316
  H      -4.506414      3.357349      7.692076
  H      -2.601482      1.037214      8.167406
  H      -2.417209      2.714307      8.713996
  C      -6.730557      1.966426     -0.380867
  C      -5.743242      1.265255      0.494461
  O      -4.554510      1.652595      0.475319
  C      -6.193446      0.175120      1.378992
  C      -7.443604     -0.454514      1.212442
  C      -7.847348     -1.452823      2.089129
  C      -7.021597     -1.809624      3.153624
  F      -7.466567     -2.738175      4.003128
  C      -5.770174     -1.195731      3.365019
  C      -4.867996     -1.590067      4.478322
  O      -4.936309     -2.672623      5.048515
  N      -3.867502     -0.652202      4.815706
  C      -2.888689     -1.045212      5.632158
  C      -5.387346     -0.215550      2.453290
  C      -8.893870      9.986711      0.158747
  C      -8.350049      8.613174      0.470166
  O      -8.929983      7.598500      0.088214
  C      -7.085125      8.509198      1.262333
  C      -6.491494      9.608927      1.906847
  C      -5.345420      9.434361      2.674670
  C      -4.796184      8.160356      2.812383
  F      -3.672592      8.060721      3.551590
  C      -5.352125      7.033122      2.183940
  C      -4.868198      5.616095      2.289375
  O      -5.212940      4.798764      1.424845
  N      -4.122068      5.325179      3.433007
  C      -3.730442      4.072124      3.510086
  C      -6.486603      7.253783      1.395023
  C     -11.647113      2.947107     -0.273277
  C     -10.686788      2.113563      0.537055
  O     -10.592508      0.898524      0.367867
  C      -9.820045      2.799437      1.543968
  C      -9.611840      4.190500      1.548912
  C      -8.720711      4.761466      2.450107
  C      -8.023802      3.941168      3.331468
  F      -7.165589      4.527197      4.194312
  C      -8.219266      2.553307      3.378134
  C      -7.543736      1.635980      4.350889
  O      -8.138864      0.654122      4.797799
  N      -6.208225      1.905598      4.626610
  C      -5.821298      1.852213      5.866588
  C      -9.149384      2.012782      2.486228
  H      -7.513075      2.417280      0.250951
  H      -6.226393      2.752732     -0.949172
  H      -7.236084      1.265171     -1.060886
  H      -8.122045     -0.161192      0.411267
  H      -8.815092     -1.943098      1.983294
  H      -2.820250     -2.049899      6.073322
  H      -4.439702      0.281718      2.630643
  H      -9.144649     10.523309      1.086489
  H      -8.143330     10.593270     -0.370004
  H      -9.793934      9.889747     -0.457315
  H      -6.922550     10.606385      1.818053
  H      -4.860973     10.272340      3.176578
  H      -3.965993      3.367205      2.701124
  H      -6.915491      6.398278      0.874733
  H     -12.257464      2.291149     -0.902289
  H     -11.095355      3.652295     -0.914749
  H     -12.292371      3.551229      0.381865
  H     -10.125634      4.839283      0.839081
  H      -8.550889      5.836324      2.468828
  H      -6.557355      1.858621      6.689964
  H      -9.343450      0.941602      2.519894
  N      -2.433679      1.300991      3.150712
  N      -2.346158      1.375719      1.754736
  H      -3.357746      1.377858      1.249816
  H      -1.792737      0.581362      1.396149
  H      -1.860444      2.244191      1.470245
91
Coordinates from ORCA-job orca E -6725.215461406778
  N      -2.035804     -0.049503      5.820983
  Mo     -3.010606      1.482392      4.835290
  N      -4.523581      1.829697      6.227199
  C      -4.232913      2.282544      7.593136
  C      -2.759670      2.069498      7.886444
  N      -1.902909      2.342890      6.688658
  C      -0.622605      1.578221      6.803005
  C      -0.910449      0.074793      6.721511
  C      -1.641750      3.798857      6.478614
  C      -2.777980      4.445514      5.704581
  N      -3.066054      3.576341      4.568640
  H      -0.023374     -0.447889      6.330333
  H      -1.146172     -0.363619      7.703644
  H       0.003880      1.880705      5.953787
  H      -0.094755      1.842017      7.733722
  H      -3.678275      4.593586      6.320230
  H      -2.478598      5.442249      5.348686
  H      -1.462658      4.293423      7.446250
  H      -0.723710      3.871601      5.879687
  H      -4.828942      1.712695      8.326062
  H      -4.514859      3.340883      7.711384
  H      -2.602256      1.022666      8.166927
  H      -2.422694      2.696039      8.727369
  C      -6.725072      1.934669     -0.414922
  C      -5.743270      1.254432      0.482437
  O      -4.558760      1.655140      0.474579
  C      -6.192232      0.166844      1.370427
  C      -7.436847     -0.471842      1.197591
  C      -7.839782     -1.468480      2.075891
  C      -7.016854     -1.817751      3.145074
  F      -7.464035     -2.744654      3.995044
  C      -5.768423     -1.198721      3.361462
  C      -4.864728     -1.591596      4.475857
  O      -4.926468     -2.677758      5.040602
  N      -3.865952     -0.651934      4.813048
  C      -2.880208     -1.042669      5.622817
  C      -5.388756     -0.215872      2.450426
  C      -8.898587      9.970228      0.162789
  C      -8.350896      8.599865      0.480002
  O      -8.942856      7.581446      0.126981
  C      -7.075185      8.502219      1.254614
  C      -6.470917      9.607643      1.879440
  C      -5.313590      9.440677      2.632955
  C      -4.765665      8.167169      2.776785
  F      -3.630951      8.067119      3.499622
  C      -5.334210      7.035539      2.169856
  C      -4.849310      5.621659      2.284298
  O      -5.173446      4.805655      1.412905
  N      -4.124757      5.334433      3.441854
  C      -3.732825      4.081900      3.521047
  C      -6.477466      7.246554      1.392872
  C     -11.651927      2.965962     -0.256378
  C     -10.679892      2.132097      0.539662
  O     -10.581141      0.918651      0.361665
  C      -9.818252      2.813916      1.553914
  C      -9.619096      4.205931      1.572795
  C      -8.732761      4.774569      2.480591
  C      -8.032692      3.950239      3.355655
  F      -7.180695      4.532493      4.226485
  C      -8.220864      2.560180      3.389335
  C      -7.546337      1.637843      4.358495
  O      -8.141788      0.652839      4.797078
  N      -6.210574      1.903269      4.634231
  C      -5.825307      1.842923      5.874767
  C      -9.144202      2.022165      2.490265
  H      -7.521769      2.383027      0.199271
  H      -6.220817      2.719713     -0.985718
  H      -7.214521      1.220394     -1.093209
  H      -8.111117     -0.185388      0.390474
  H      -8.804372     -1.964563      1.968160
  H      -2.803420     -2.048409      6.060141
  H      -4.444742      0.288625      2.628802
  H      -9.136672     10.515209      1.089179
  H      -8.156333     10.572264     -0.382084
  H      -9.807660      9.867315     -0.439023
  H      -6.901927     10.604720      1.785042
  H      -4.820723     10.284166      3.117037
  H      -3.962163      3.380374      2.707392
  H      -6.912921      6.385703      0.885504
  H     -12.263569      2.311538     -0.885817
  H     -11.110459      3.679733     -0.897177
  H     -12.294872      3.561228      0.409328
  H     -10.135905      4.858834      0.869123
  H      -8.569384      5.850612      2.506827
  H      -6.562576      1.841802      6.696921
  H      -9.330920      0.949192      2.511741
  N      -2.449220      1.314177      3.150569
  N      -2.361045      1.401032      1.755385
  H      -3.371420      1.384496      1.247429
  H      -1.790491      0.620892      1.392687
  H      -1.892260      2.281125      1.478062
91
Coordinates from ORCA-job orca E -6725.215783919947
  N      -2.034959     -0.043284      5.811820
  Mo     -3.016357      1.488590      4.833301
  N      -4.521805      1.845198      6.230637
  C      -4.226121      2.293569      7.596555
  C      -2.753528      2.071721      7.885846
  N      -1.899151      2.346524      6.687252
  C      -0.619727      1.581605      6.796350
  C      -0.907308      0.078960      6.709887
  C      -1.637511      3.802633      6.478599
  C      -2.770878      4.450185      5.702445
  N      -3.057525      3.581416      4.566088
  H      -0.020586     -0.441205      6.314401
  H      -1.140767     -0.363464      7.690878
  H       0.005583      1.886741      5.947132
  H      -0.089506      1.841191      7.726934
  H      -3.672719      4.595643      6.316084
  H      -2.471479      5.447322      5.347587
  H      -1.461152      4.296937      7.446740
  H      -0.718099      3.875566      5.882065
  H      -4.824503      1.725766      8.328947
  H      -4.501636      3.353402      7.716878
  H      -2.601147      1.022465      8.160853
  H      -2.411325      2.692634      8.728860
  C      -6.761615      1.869759     -0.442545
  C      -5.779527      1.217278      0.474362
  O      -4.599851      1.631996      0.464762
  C      -6.223398      0.143145      1.382043
  C      -7.466228     -0.502716      1.220068
  C      -7.861105     -1.493152      2.108973
  C      -7.031191     -1.830474      3.176689
  F      -7.468783     -2.755991      4.034049
  C      -5.784886     -1.204318      3.383019
  C      -4.873887     -1.588645      4.494073
  O      -4.933713     -2.670367      5.067682
  N      -3.873675     -0.647453      4.819000
  C      -2.882689     -1.035938      5.621982
  C      -5.413926     -0.225725      2.463123
  C      -8.930563      9.948839      0.212400
  C      -8.360880      8.582796      0.508346
  O      -8.937848      7.560256      0.141610
  C      -7.082457      8.493034      1.278847
  C      -6.494711      9.597886      1.919839
  C      -5.334075      9.438714      2.670607
  C      -4.767314      8.171827      2.794457
  F      -3.631182      8.072782      3.515748
  C      -5.318410      7.041940      2.169355
  C      -4.807442      5.636262      2.264903
  O      -5.088598      4.832687      1.367284
  N      -4.103948      5.343830      3.434072
  C      -3.717384      4.090498      3.516106
  C      -6.464867      7.244467      1.395961
  C     -11.599840      2.987813     -0.302612
  C     -10.644927      2.151070      0.511230
  O     -10.559120      0.935030      0.347178
  C      -9.784620      2.833416      1.526170
  C      -9.572123      4.222907      1.535120
  C      -8.691101      4.791135      2.448376
  C      -8.006340      3.968210      3.336113
  F      -7.161639      4.551199      4.214288
  C      -8.206002      2.579896      3.377899
  C      -7.547079      1.660675      4.361557
  O      -8.157948      0.690900      4.813428
  N      -6.209109      1.914888      4.639055
  C      -5.824419      1.860272      5.880671
  C      -9.126801      2.043003      2.475741
  H      -7.570792      2.315991      0.156679
  H      -6.261945      2.651092     -1.023422
  H      -7.235964      1.137968     -1.112765
  H      -8.143158     -0.226922      0.411399
  H      -8.822757     -1.996211      2.010384
  H      -2.802302     -2.040480      6.061493
  H      -4.470885      0.285113      2.630598
  H      -9.182426     10.472182      1.147928
  H      -8.197710     10.574724     -0.318495
  H      -9.835582      9.840475     -0.394411
  H      -6.942194     10.589033      1.840718
  H      -4.855063     10.283173      3.166695
  H      -3.950034      3.390077      2.702559
  H      -6.888103      6.385407      0.875598
  H     -12.215004      2.333817     -0.929673
  H     -11.044781      3.687263     -0.947517
  H     -12.240048      3.598711      0.350856
  H     -10.077417      4.875708      0.823284
  H      -8.522273      5.865589      2.468261
  H      -6.561593      1.865481      6.702836
  H      -9.326565      0.973164      2.503352
  N      -2.470692      1.314742      3.144158
  N      -2.392849      1.411998      1.749145
  H      -3.406399      1.389716      1.249218
  H      -1.818268      0.638997      1.376786
  H      -1.933366      2.297851      1.474273
91
Coordinates from ORCA-job orca E -6725.216074538700
  N      -2.024312     -0.039522      5.789683
  Mo     -3.022793      1.494048      4.831003
  N      -4.518599      1.838456      6.242419
  C      -4.218054      2.278832      7.609627
  C      -2.743988      2.055722      7.889775
  N      -1.896669      2.343014      6.689221
  C      -0.614493      1.583070      6.785166
  C      -0.894708      0.080904      6.685046
  C      -1.640034      3.801137      6.489562
  C      -2.773948      4.451143      5.718325
  N      -3.063251      3.588247      4.578386
  H      -0.006315     -0.430799      6.282590
  H      -1.123836     -0.371114      7.662685
  H       0.006154      1.899126      5.936541
  H      -0.080060      1.833925      7.715859
  H      -3.675356      4.588403      6.334429
  H      -2.477408      5.450628      5.368315
  H      -1.465112      4.290245      7.460593
  H      -0.721215      3.880159      5.892951
  H      -4.814243      1.707472      8.340752
  H      -4.491941      3.338417      7.736307
  H      -2.589401      1.003762      8.153208
  H      -2.396854      2.668547      8.736640
  C      -6.790754      1.813951     -0.474409
  C      -5.805998      1.187877      0.458383
  O      -4.631888      1.618729      0.450352
  C      -6.244980      0.127271      1.382617
  C      -7.490634     -0.517783      1.236269
  C      -7.881595     -1.497551      2.137462
  C      -7.043550     -1.830206      3.199932
  F      -7.477928     -2.747654      4.067147
  C      -5.793594     -1.207554      3.390407
  C      -4.871049     -1.589148      4.492310
  O      -4.927137     -2.670406      5.068412
  N      -3.871261     -0.646302      4.810589
  C      -2.870331     -1.034873      5.600122
  C      -5.428175     -0.235438      2.460983
  C      -8.920286      9.926068      0.162065
  C      -8.332038      8.566328      0.450053
  O      -8.867873      7.540864      0.032215
  C      -7.080210      8.485616      1.263861
  C      -6.538588      9.589200      1.945510
  C      -5.400676      9.440996      2.732722
  C      -4.810820      8.184682      2.850662
  F      -3.695686      8.094581      3.604994
  C      -5.314562      7.056179      2.182755
  C      -4.769232      5.660882      2.262900
  O      -4.994591      4.872908      1.335364
  N      -4.094515      5.360749      3.445990
  C      -3.716205      4.105560      3.529619
  C      -6.439343      7.247628      1.375811
  C     -11.576460      3.026624     -0.298508
  C     -10.642895      2.176002      0.526347
  O     -10.575205      0.958855      0.364940
  C      -9.768204      2.850216      1.535047
  C      -9.538129      4.236223      1.538294
  C      -8.651444      4.799541      2.449681
  C      -7.978500      3.972182      3.341959
  F      -7.129313      4.549300      4.221575
  C      -8.192403      2.585935      3.387155
  C      -7.544242      1.663793      4.374103
  O      -8.162003      0.699061      4.826463
  N      -6.204265      1.910185      4.653253
  C      -5.821985      1.854207      5.895345
  C      -9.117209      2.054512      2.486108
  H      -7.610029      2.256479      0.113912
  H      -6.299000      2.591073     -1.067381
  H      -7.250932      1.064391     -1.134907
  H      -8.172601     -0.246057      0.430536
  H      -8.846377     -1.996999      2.051603
  H      -2.780630     -2.042059      6.031764
  H      -4.483318      0.275431      2.616635
  H      -9.229331     10.415788      1.098778
  H      -8.180773     10.585157     -0.316349
  H      -9.792936      9.812575     -0.489586
  H      -7.005349     10.571605      1.869393
  H      -4.958652     10.286702      3.259974
  H      -3.956503      3.408674      2.715293
  H      -6.828061      6.391902      0.823961
  H     -12.202335      2.380782     -0.923139
  H     -11.004485      3.709223     -0.946832
  H     -12.207626      3.655499      0.346654
  H     -10.037267      4.892583      0.825198
  H      -8.471718      5.872677      2.464319
  H      -6.559409      1.859470      6.716897
  H      -9.328937      0.986632      2.516410
  N      -2.490767      1.327419      3.136703
  N      -2.417996      1.441075      1.742616
  H      -3.431721      1.406754      1.244937
  H      -1.833634      0.681327      1.358330
  H      -1.973018      2.336685      1.475444
91
Coordinates from ORCA-job orca E -6725.216416514026
  N      -2.021527     -0.040776      5.779913
  Mo     -3.023541      1.495776      4.828596
  N      -4.519126      1.846149      6.240306
  C      -4.217252      2.276027      7.610436
  C      -2.744483      2.042317      7.890666
  N      -1.894345      2.335790      6.694584
  C      -0.611779      1.575282      6.786401
  C      -0.891446      0.074493      6.675769
  C      -1.634426      3.794234      6.502717
  C      -2.761427      4.449454      5.726029
  N      -3.047794      3.590130      4.582107
  H      -0.002964     -0.434459      6.269606
  H      -1.119735     -0.384841      7.650312
  H       0.008083      1.898772      5.940047
  H      -0.076900      1.819041      7.718826
  H      -3.665853      4.586903      6.337821
  H      -2.460153      5.449239      5.381361
  H      -1.465287      4.280168      7.476388
  H      -0.711369      3.873676      5.912661
  H      -4.816709      1.702821      8.337461
  H      -4.484037      3.336649      7.743296
  H      -2.595633      0.986954      8.144437
  H      -2.395162      2.645031      8.743927
  C      -6.808119      1.758736     -0.496514
  C      -5.821777      1.151127      0.448480
  O      -4.647623      1.579121      0.429561
  C      -6.260535      0.103978      1.388828
  C      -7.512984     -0.531530      1.259898
  C      -7.905724     -1.497693      2.174331
  C      -7.063492     -1.826682      3.234392
  F      -7.499604     -2.728407      4.115969
  C      -5.805652     -1.214140      3.406195
  C      -4.877422     -1.590366      4.504708
  O      -4.932582     -2.668069      5.087572
  N      -3.874489     -0.646610      4.811331
  C      -2.869660     -1.034418      5.596452
  C      -5.437433     -0.256761      2.463149
  C      -8.960284      9.864102      0.174660
  C      -8.335102      8.517679      0.448015
  O      -8.841684      7.482942      0.016644
  C      -7.088866      8.461677      1.272774
  C      -6.589327      9.569550      1.978162
  C      -5.455087      9.443971      2.774242
  C      -4.827014      8.204889      2.878250
  F      -3.715689      8.142189      3.639914
  C      -5.287199      7.071624      2.185016
  C      -4.700147      5.690593      2.247227
  O      -4.868891      4.922994      1.290826
  N      -4.054792      5.376181      3.444510
  C      -3.688324      4.117367      3.529016
  C      -6.408746      7.243375      1.368284
  C     -11.568180      3.068573     -0.308638
  C     -10.633937      2.214958      0.512113
  O     -10.576187      0.996466      0.355232
  C      -9.750477      2.885371      1.515952
  C      -9.510884      4.269964      1.514693
  C      -8.617801      4.828820      2.423183
  C      -7.948900      3.998408      3.315549
  F      -7.090665      4.572963      4.188424
  C      -8.174203      2.615317      3.366891
  C      -7.534010      1.692933      4.357281
  O      -8.158146      0.732213      4.809418
  N      -6.194243      1.934643      4.643074
  C      -5.820144      1.873904      5.887262
  C      -9.103988      2.088279      2.468309
  H      -7.626726      2.212725      0.084719
  H      -6.317216      2.523094     -1.105858
  H      -7.267349      0.995492     -1.141798
  H      -8.200900     -0.259067      0.459525
  H      -8.876954     -1.986756      2.102433
  H      -2.777294     -2.040851      6.029292
  H      -4.485851      0.244288      2.606786
  H      -9.295016     10.328478      1.115576
  H      -8.234413     10.552443     -0.283107
  H      -9.821452      9.735837     -0.489287
  H      -7.086603     10.537733      1.914382
  H      -5.045380     10.294621      3.319285
  H      -3.931416      3.424027      2.712446
  H      -6.765616      6.387432      0.796779
  H     -12.200806      2.424017     -0.927990
  H     -10.994371      3.745626     -0.961261
  H     -12.193462      3.702509      0.336994
  H     -10.006194      4.928443      0.800942
  H      -8.434468      5.901410      2.438745
  H      -6.562148      1.881760      6.704663
  H      -9.323491      1.021847      2.502401
  N      -2.500270      1.329668      3.131714
  N      -2.426342      1.455728      1.738490
  H      -3.434044      1.407749      1.239157
  H      -1.827980      0.709638      1.348623
  H      -1.996956      2.361449      1.479148
91
Coordinates from ORCA-job orca E -6725.216865527897
  N      -2.017284     -0.042999      5.756905
  Mo     -3.024976      1.503005      4.824671
  N      -4.514881      1.854627      6.243291
  C      -4.204604      2.273202      7.614723
  C      -2.733822      2.020778      7.890884
  N      -1.880904      2.321166      6.699419
  C      -0.600657      1.554720      6.781126
  C      -0.885703      0.057703      6.653207
  C      -1.609626      3.779214      6.521490
  C      -2.728817      4.450199      5.747727
  N      -3.027650      3.599837      4.599376
  H       0.000738     -0.450186      6.240863
  H      -1.114909     -0.413366      7.621953
  H       0.018071      1.887564      5.937719
  H      -0.062847      1.785032      7.715373
  H      -3.631200      4.595105      6.361037
  H      -2.416459      5.448607      5.409409
  H      -1.439611      4.256115      7.499456
  H      -0.683926      3.856234      5.935359
  H      -4.807667      1.701743      8.340219
  H      -4.458291      3.336117      7.754015
  H      -2.595557      0.960318      8.130049
  H      -2.378704      2.607923      8.752608
  C      -6.839769      1.712973     -0.526994
  C      -5.855769      1.131677      0.439545
  O      -4.683668      1.563058      0.417993
  C      -6.292630      0.095248      1.394193
  C      -7.549766     -0.534196      1.281894
  C      -7.940261     -1.490261      2.208107
  C      -7.091164     -1.815143      3.264392
  F      -7.522849     -2.706356      4.158220
  C      -5.828242     -1.207546      3.418127
  C      -4.891280     -1.582399      4.509444
  O      -4.941794     -2.659857      5.092112
  N      -3.882438     -0.640196      4.802517
  C      -2.870494     -1.032688      5.576655
  C      -5.462547     -0.260924      2.464238
  C      -8.964917      9.792595      0.127323
  C      -8.289484      8.466303      0.381727
  O      -8.733345      7.425279     -0.100310
  C      -7.078705      8.438447      1.259622
  C      -6.666026      9.542861      2.023096
  C      -5.564696      9.442213      2.866746
  C      -4.881527      8.231243      2.959438
  F      -3.808949      8.199847      3.774877
  C      -5.252988      7.101343      2.207723
  C      -4.606532      5.744979      2.252882
  O      -4.693770      5.006162      1.263453
  N      -3.995032      5.413873      3.465182
  C      -3.654691      4.147991      3.548665
  C      -6.345144      7.250901      1.346488
  C     -11.574933      3.084875     -0.300702
  C     -10.644528      2.231756      0.523942
  O     -10.607652      1.009397      0.388706
  C      -9.742680      2.903406      1.510301
  C      -9.480912      4.284486      1.484806
  C      -8.571017      4.841752      2.378450
  C      -7.911526      4.013568      3.280003
  F      -7.036470      4.588196      4.134737
  C      -8.159780      2.636533      3.356145
  C      -7.525917      1.720420      4.356670
  O      -8.158756      0.771602      4.822062
  N      -6.185533      1.958081      4.643552
  C      -5.814375      1.894275      5.888791
  C      -9.103994      2.111599      2.470977
  H      -7.664203      2.178179      0.037442
  H      -6.346909      2.463619     -1.151307
  H      -7.289195      0.932317     -1.158111
  H      -8.243853     -0.263012      0.486446
  H      -8.915359     -1.973098      2.149632
  H      -2.775617     -2.040984      6.004882
  H      -4.506008      0.233199      2.596494
  H      -9.362824     10.205659      1.067639
  H      -8.251693     10.529572     -0.271297
  H      -9.788805      9.650270     -0.579478
  H      -7.206976     10.487873      1.969433
  H      -5.223281     10.291043      3.459528
  H      -3.913202      3.462865      2.729945
  H      -6.639646      6.400156      0.733597
  H     -12.221317      2.438536     -0.903836
  H     -10.996224      3.742956     -0.968216
  H     -12.186880      3.737260      0.338882
  H      -9.966818      4.939028      0.760936
  H      -8.368685      5.911244      2.378516
  H      -6.557865      1.905530      6.705118
  H      -9.339054      1.049266      2.521852
  N      -2.522295      1.346632      3.120957
  N      -2.457456      1.493507      1.729162
  H      -3.461149      1.429190      1.236504
  H      -1.845137      0.765566      1.326336
  H      -2.049306      2.412000      1.479370
91
Coordinates from ORCA-job orca E -6725.217381616893
  N      -2.012915     -0.042855      5.731821
  Mo     -3.026810      1.513290      4.821182
  N      -4.509910      1.862208      6.247222
  C      -4.190722      2.265980      7.620755
  C      -2.721785      1.994700      7.891089
  N      -1.866967      2.305923      6.704616
  C      -0.588432      1.534524      6.773888
  C      -0.878422      0.041273      6.626841
  C      -1.585926      3.764020      6.545753
  C      -2.698997      4.450972      5.777468
  N      -3.008914      3.612677      4.622354
  H       0.005159     -0.464829      6.206288
  H      -1.107390     -0.443285      7.588807
  H       0.028474      1.877593      5.933443
  H      -0.047925      1.751710      7.709706
  H      -3.599731      4.601790      6.391926
  H      -2.376859      5.449064      5.447867
  H      -1.415210      4.228277      7.529686
  H      -0.657930      3.842335      5.963737
  H      -4.796128      1.693792      8.343827
  H      -4.432633      3.330037      7.770580
  H      -2.593580      0.929114      8.112955
  H      -2.361914      2.564190      8.762718
  C      -6.872073      1.673032     -0.558499
  C      -5.890882      1.116263      0.427456
  O      -4.724864      1.562577      0.415235
  C      -6.324483      0.088217      1.393908
  C      -7.585025     -0.536395      1.297126
  C      -7.974046     -1.480480      2.237041
  C      -7.118222     -1.798457      3.290422
  F      -7.545864     -2.676486      4.199138
  C      -5.850559     -1.195331      3.426057
  C      -4.904953     -1.571680      4.509748
  O      -4.951852     -2.649010      5.091480
  N      -3.890762     -0.630838      4.791651
  C      -2.871945     -1.028525      5.554501
  C      -5.488232     -0.259522      2.461155
  C      -8.954092      9.709564      0.070138
  C      -8.230216      8.407099      0.317505
  O      -8.604187      7.362566     -0.213175
  C      -7.058247      8.408651      1.247225
  C      -6.741128      9.503076      2.068729
  C      -5.677816      9.424759      2.961287
  C      -4.936261      8.247217      3.044413
  F      -3.908867      8.242248      3.915373
  C      -5.209899      7.129677      2.234905
  C      -4.498737      5.807033      2.265420
  O      -4.495903      5.103871      1.247798
  N      -3.927699      5.458164      3.493095
  C      -3.617793      4.184928      3.574178
  C      -6.268321      7.257674      1.328188
  C     -11.598673      3.089026     -0.281545
  C     -10.667303      2.241407      0.546152
  O     -10.645938      1.015727      0.434258
  C      -9.744730      2.919530      1.508382
  C      -9.462372      4.296523      1.450669
  C      -8.531496      4.855762      2.321608
  C      -7.875295      4.034669      3.233108
  F      -6.978339      4.612387      4.060157
  C      -8.145658      2.664182      3.342664
  C      -7.516375      1.757148      4.356190
  O      -8.158788      0.822611      4.837441
  N      -6.175109      1.988184      4.642709
  C      -5.806978      1.916526      5.889381
  C      -9.108929      2.138475      2.478075
  H      -7.705395      2.142771     -0.011992
  H      -6.377202      2.417022     -1.189407
  H      -7.306569      0.878356     -1.182245
  H      -8.284170     -0.269889      0.504518
  H      -8.952363     -1.958302      2.191587
  H      -2.774912     -2.039261      5.976798
  H      -4.526326      0.227495      2.581349
  H      -9.414326     10.074872      1.001596
  H      -8.256838     10.489315     -0.271405
  H      -9.736781      9.552786     -0.679082
  H      -7.328139     10.420549      2.024022
  H      -5.410406     10.265024      3.602290
  H      -3.888707      3.510289      2.751056
  H      -6.493808      6.415825      0.674110
  H     -12.258535      2.438369     -0.864383
  H     -11.019871      3.728056     -0.967208
  H     -12.196128      3.759923      0.352731
  H      -9.943082      4.942480      0.715345
  H      -8.307176      5.920840      2.298637
  H      -6.552496      1.930222      6.704139
  H      -9.358940      1.081277      2.553146
  N      -2.548757      1.373528      3.109157
  N      -2.497598      1.544848      1.719248
  H      -3.496955      1.455446      1.235013
  H      -1.865640      0.842303      1.302112
  H      -2.120100      2.479711      1.480693
91
Coordinates from ORCA-job orca E -6725.217948508288
  N      -2.005485     -0.038419      5.701432
  Mo     -3.029933      1.527436      4.817569
  N      -4.504308      1.862394      6.253344
  C      -4.177252      2.249838      7.629562
  C      -2.708959      1.964438      7.890932
  N      -1.855006      2.292558      6.708164
  C      -0.576241      1.520053      6.762462
  C      -0.866721      0.029573      6.593069
  C      -1.569192      3.752083      6.573509
  C      -2.679958      4.453222      5.815285
  N      -2.998499      3.630470      4.650790
  H       0.014584     -0.471206      6.161827
  H      -1.093634     -0.470667      7.547343
  H       0.038578      1.875101      5.925577
  H      -0.033963      1.724926      7.699951
  H      -3.579395      4.604763      6.431396
  H      -2.351996      5.453083      5.496503
  H      -1.397797      4.199428      7.565120
  H      -0.640230      3.838126      5.994510
  H      -4.782667      1.673415      8.349327
  H      -4.412325      3.313183      7.793503
  H      -2.587169      0.894221      8.092875
  H      -2.345695      2.515909      8.772778
  C      -6.912319      1.641829     -0.588965
  C      -5.939011      1.128940      0.428354
  O      -4.783733      1.602457      0.429471
  C      -6.362164      0.099511      1.398639
  C      -7.620699     -0.530371      1.311689
  C      -8.001378     -1.471943      2.259012
  C      -7.134205     -1.785527      3.304904
  F      -7.547280     -2.666916      4.218295
  C      -5.867772     -1.177196      3.428639
  C      -4.910716     -1.559436      4.500339
  O      -4.950205     -2.640122      5.075441
  N      -3.894589     -0.618964      4.775259
  C      -2.869423     -1.021428      5.525538
  C      -5.517351     -0.239723      2.461314
  C      -8.901791      9.646743     -0.015693
  C      -8.140577      8.365895      0.235029
  O      -8.445278      7.323098     -0.340788
  C      -7.018563      8.386602      1.224103
  C      -6.798618      9.463203      2.100895
  C      -5.783405      9.396276      3.048028
  C      -4.992286      8.250821      3.129818
  F      -4.018022      8.256850      4.059679
  C      -5.167097      7.156021      2.266645
  C      -4.395463      5.871383      2.290710
  O      -4.296417      5.206235      1.252964
  N      -3.868066      5.507329      3.531815
  C      -3.588972      4.227846      3.607489
  C      -6.182170      7.269557      1.309554
  C     -11.636822      3.073814     -0.245446
  C     -10.702627      2.232044      0.584204
  O     -10.696407      1.004042      0.496732
  C      -9.758974      2.917631      1.519838
  C      -9.455289      4.288938      1.425862
  C      -8.501554      4.850874      2.268697
  C      -7.844679      4.040008      3.189758
  F      -6.924199      4.620935      3.986039
  C      -8.136254      2.675862      3.336403
  C      -7.509955      1.778813      4.363341
  O      -8.158306      0.854357      4.856516
  N      -6.167914      2.005389      4.647865
  C      -5.800224      1.923613      5.895380
  C      -9.122264      2.148492      2.497707
  H      -7.768846      2.102569     -0.074053
  H      -6.419392      2.387164     -1.220764
  H      -7.311022      0.825389     -1.208421
  H      -8.325547     -0.270761      0.521745
  H      -8.977770     -1.954079      2.221165
  H      -2.768478     -2.035495      5.938972
  H      -4.553941      0.247843      2.572420
  H      -9.425703      9.967623      0.898199
  H      -8.218639     10.461980     -0.297723
  H      -9.636630      9.481722     -0.810272
  H      -7.423857     10.355050      2.056777
  H      -5.589799     10.220208      3.735182
  H      -3.871126      3.565635      2.778734
  H      -6.335773      6.440816      0.616764
  H     -12.311986      2.419647     -0.806486
  H     -11.062401      3.694337     -0.951279
  H     -12.216595      3.762982      0.385803
  H      -9.935463      4.923594      0.680719
  H      -8.252358      5.909389      2.217645
  H      -6.546067      1.934713      6.710126
  H      -9.388700      1.098169      2.602194
  N      -2.581573      1.415772      3.096515
  N      -2.552736      1.619943      1.709577
  H      -3.552354      1.506589      1.237515
  H      -1.902535      0.947582      1.271433
  H      -2.210004      2.572312      1.486717
91
Coordinates from ORCA-job orca E -6725.218509135720
  N      -2.001882     -0.030508      5.676392
  Mo     -3.035552      1.541058      4.812658
  N      -4.502564      1.865611      6.256792
  C      -4.170735      2.239224      7.635312
  C      -2.703198      1.943662      7.890049
  N      -1.850836      2.285963      6.710560
  C      -0.571819      1.514629      6.754017
  C      -0.860646      0.026665      6.565603
  C      -1.563704      3.746063      6.595313
  C      -2.670545      4.456463      5.841513
  N      -2.990990      3.645569      4.669666
  H       0.019400     -0.468150      6.125608
  H      -1.085613     -0.486096      7.513570
  H       0.041888      1.879705      5.920598
  H      -0.029387      1.710111      7.693358
  H      -3.571507      4.606553      6.455776
  H      -2.338316      5.457556      5.530997
  H      -1.395341      4.180311      7.593334
  H      -0.632850      3.839670      6.020739
  H      -4.776853      1.659176      8.351521
  H      -4.400724      3.301796      7.810446
  H      -2.585860      0.870235      8.076122
  H      -2.337859      2.481119      8.779758
  C      -6.955873      1.604392     -0.610948
  C      -5.982487      1.121182      0.420445
  O      -4.840615      1.625668      0.433965
  C      -6.394937      0.096760      1.399194
  C      -7.653554     -0.534119      1.325766
  C      -8.029206     -1.466147      2.284410
  C      -7.153254     -1.772265      3.324482
  F      -7.561466     -2.643571      4.250137
  C      -5.884214     -1.166282      3.432847
  C      -4.917994     -1.549115      4.496553
  O      -4.953367     -2.629763      5.072383
  N      -3.899768     -0.608228      4.763882
  C      -2.869692     -1.011748      5.505589
  C      -5.540973     -0.234133      2.457497
  C      -8.880778      9.586263     -0.039142
  C      -8.092218      8.323127      0.215304
  O      -8.351565      7.280642     -0.382570
  C      -6.992316      8.361986      1.227863
  C      -6.832147      9.425575      2.134687
  C      -5.839469      9.370582      3.105940
  C      -5.009673      8.252450      3.180024
  F      -4.059843      8.264700      4.135599
  C      -5.121614      7.176580      2.285548
  C      -4.298769      5.927471      2.302195
  O      -4.119958      5.300476      1.251724
  N      -3.815879      5.545730      3.554252
  C      -3.561502      4.261779      3.626929
  C      -6.117842      7.273890      1.307223
  C     -11.645080      3.060454     -0.239698
  C     -10.717541      2.222654      0.601552
  O     -10.727827      0.993427      0.538215
  C      -9.757417      2.915455      1.515463
  C      -9.434625      4.279563      1.387763
  C      -8.465176      4.846132      2.207915
  C      -7.811357      4.047763      3.142857
  F      -6.874560      4.633712      3.916530
  C      -8.122761      2.691364      3.324455
  C      -7.506307      1.806207      4.367081
  O      -8.165285      0.896390      4.873666
  N      -6.162884      2.024689      4.650781
  C      -5.797309      1.934366      5.898974
  C      -9.122995      2.159655      2.505313
  H      -7.828845      2.051879     -0.112911
  H      -6.470630      2.356264     -1.241249
  H      -7.328318      0.774676     -1.228922
  H      -8.363899     -0.281619      0.538538
  H      -9.007053     -1.946720      2.257586
  H      -2.765039     -2.026900      5.915406
  H      -4.574694      0.251105      2.556563
  H      -9.439347      9.879894      0.863136
  H      -8.212657     10.423342     -0.290130
  H      -9.588005      9.412787     -0.856859
  H      -7.487461     10.295899      2.095769
  H      -5.691850     10.182124      3.818857
  H      -3.852916      3.608739      2.794826
  H      -6.225605      6.454597      0.593821
  H     -12.332951      2.405328     -0.783251
  H     -11.067198      3.658749     -0.961790
  H     -12.210014      3.770980      0.382003
  H      -9.913408      4.903202      0.632298
  H      -8.196417      5.898151      2.129290
  H      -6.544047      1.945740      6.712526
  H      -9.402334      1.115654      2.637290
  N      -2.611450      1.453687      3.084605
  N      -2.602683      1.688912      1.701283
  H      -3.600381      1.548955      1.235233
  H      -1.931123      1.051740      1.243942
  H      -2.299682      2.659141      1.496897
91
Coordinates from ORCA-job orca E -6725.219026236163
  N      -1.991845     -0.019995      5.653936
  Mo     -3.044055      1.549166      4.808526
  N      -4.508066      1.847851      6.260486
  C      -4.178130      2.209551      7.642574
  C      -2.708172      1.922162      7.890922
  N      -1.863313      2.287118      6.712668
  C      -0.576487      1.529884      6.746260
  C      -0.848311      0.040471      6.539915
  C      -1.593444      3.751649      6.614266
  C      -2.704708      4.456992      5.863452
  N      -3.011778      3.654694      4.682748
  H       0.035593     -0.438645      6.090639
  H      -1.065019     -0.485041      7.483042
  H       0.033301      1.909627      5.916348
  H      -0.035587      1.721198      7.687333
  H      -3.610295      4.589333      6.474816
  H      -2.382597      5.464276      5.561907
  H      -1.434311      4.176004      7.617951
  H      -0.662077      3.863968      6.043848
  H      -4.780514      1.618873      8.353069
  H      -4.415351      3.268753      7.829023
  H      -2.582194      0.847310      8.062354
  H      -2.344698      2.451558      8.786158
  C      -6.987202      1.567881     -0.622098
  C      -6.012403      1.115721      0.420208
  O      -4.883485      1.649619      0.435827
  C      -6.409453      0.090339      1.402775
  C      -7.665447     -0.547401      1.338779
  C      -8.030948     -1.479336      2.300826
  C      -7.145087     -1.782140      3.332561
  F      -7.543475     -2.657122      4.259765
  C      -5.877421     -1.173218      3.431990
  C      -4.901166     -1.555378      4.485917
  O      -4.926971     -2.638593      5.059054
  N      -3.889420     -0.608775      4.751765
  C      -2.853922     -1.006244      5.486831
  C      -5.544713     -0.237991      2.454616
  C      -8.839782      9.596237     -0.056728
  C      -8.053624      8.334431      0.207291
  O      -8.311278      7.288095     -0.385138
  C      -6.957739      8.376668      1.223526
  C      -6.807542      9.440004      2.132920
  C      -5.821493      9.389547      3.111452
  C      -4.987224      8.276023      3.187749
  F      -4.038546      8.285010      4.145783
  C      -5.086115      7.204316      2.287267
  C      -4.244917      5.967950      2.306611
  O      -4.012060      5.364476      1.251418
  N      -3.807229      5.566926      3.566529
  C      -3.564630      4.280620      3.633920
  C      -6.076502      7.293284      1.303179
  C     -11.663848      3.042894     -0.223052
  C     -10.745342      2.201688      0.626427
  O     -10.772912      0.972958      0.577398
  C      -9.769431      2.893940      1.524284
  C      -9.423261      4.248391      1.370267
  C      -8.442748      4.815324      2.175249
  C      -7.797827      4.025921      3.123230
  F      -6.854046      4.613151      3.889780
  C      -8.127811      2.677099      3.328327
  C      -7.518648      1.798765      4.379260
  O      -8.181946      0.895365      4.892048
  N      -6.172617      2.012116      4.659609
  C      -5.804742      1.913457      5.906814
  C      -9.139970      2.144975      2.524131
  H      -7.875782      1.998245     -0.136343
  H      -6.514906      2.326593     -1.254406
  H      -7.335264      0.724386     -1.235756
  H      -8.381950     -0.299132      0.555857
  H      -9.007395     -1.962696      2.281021
  H      -2.738731     -2.021550      5.893241
  H      -4.579164      0.250853      2.544268
  H      -9.404323      9.892404      0.841189
  H      -8.171270     10.433304     -0.306604
  H      -9.541615      9.419673     -0.878471
  H      -7.466815     10.307121      2.089525
  H      -5.682348     10.200582      3.826745
  H      -3.857836      3.634728      2.798028
  H      -6.173733      6.474020      0.588597
  H     -12.366331      2.392442     -0.754149
  H     -11.082602      3.622135     -0.957894
  H     -12.212136      3.771096      0.392773
  H      -9.899208      4.866685      0.608972
  H      -8.159070      5.860870      2.074942
  H      -6.550329      1.915668      6.721028
  H      -9.436260      1.108734      2.678836
  N      -2.631677      1.486810      3.077156
  N      -2.633372      1.750471      1.698178
  H      -3.630244      1.591017      1.230069
  H      -1.942559      1.145380      1.226160
  H      -2.363678      2.734815      1.513530
91
Coordinates from ORCA-job orca E -6725.219412645393
  N      -1.984853     -0.011676      5.621298
  Mo     -3.055812      1.560201      4.803236
  N      -4.510029      1.838598      6.269861
  C      -4.173454      2.184849      7.654518
  C      -2.701975      1.894739      7.891308
  N      -1.865335      2.280549      6.714327
  C      -0.574712      1.531279      6.731099
  C      -0.837409      0.044689      6.502113
  C      -1.604108      3.746972      6.634593
  C      -2.716092      4.456931      5.891403
  N      -3.024045      3.666295      4.704113
  H       0.047266     -0.420332      6.039781
  H      -1.045324     -0.496619      7.438385
  H       0.029346      1.927699      5.904655
  H      -0.030389      1.710284      7.672675
  H      -3.621790      4.578703      6.504977
  H      -2.396364      5.467346      5.598393
  H      -1.449270      4.159381      7.643940
  H      -0.672824      3.871845      6.066432
  H      -4.773577      1.587446      8.361017
  H      -4.408010      3.242598      7.852870
  H      -2.574156      0.817078      8.043492
  H      -2.333758      2.409706      8.793017
  C      -7.047793      1.543342     -0.621545
  C      -6.065085      1.122537      0.426903
  O      -4.948017      1.681404      0.439573
  C      -6.443893      0.096199      1.413238
  C      -7.700210     -0.542025      1.362658
  C      -8.056881     -1.471520      2.328401
  C      -7.161225     -1.774332      3.350389
  F      -7.554414     -2.646306      4.281802
  C      -5.891225     -1.168832      3.436730
  C      -4.903765     -1.550527      4.480198
  O      -4.922852     -2.635276      5.052148
  N      -3.890617     -0.603452      4.737387
  C      -2.845357     -0.999603      5.460600
  C      -5.566864     -0.233470      2.455714
  C      -8.834000      9.547091     -0.071722
  C      -8.032743      8.298547      0.205998
  O      -8.275142      7.243205     -0.377392
  C      -6.941183      8.361543      1.225740
  C      -6.812891      9.429386      2.132247
  C      -5.830200      9.402243      3.115732
  C      -4.977552      8.304288      3.198240
  F      -4.028761      8.328865      4.156369
  C      -5.053430      7.229067      2.298163
  C      -4.183224      6.011559      2.327623
  O      -3.892786      5.430416      1.272410
  N      -3.788257      5.596035      3.595440
  C      -3.564417      4.306878      3.658809
  C      -6.039857      7.294283      1.308684
  C     -11.624526      3.038199     -0.246445
  C     -10.727890      2.193003      0.623874
  O     -10.780152      0.965061      0.595503
  C      -9.743277      2.882914      1.515202
  C      -9.375748      4.228820      1.342517
  C      -8.391255      4.795724      2.142832
  C      -7.765714      4.013975      3.109327
  F      -6.821205      4.603509      3.876590
  C      -8.113963      2.672662      3.330503
  C      -7.519593      1.799720      4.391260
  O      -8.189939      0.902133      4.905089
  N      -6.173747      2.010852      4.676565
  C      -5.807902      1.903467      5.923382
  C      -9.126637      2.139508      2.528245
  H      -7.949131      1.956368     -0.142194
  H      -6.592973      2.305998     -1.261095
  H      -7.374905      0.685509     -1.227129
  H      -8.424673     -0.292601      0.587756
  H      -9.034706     -1.952619      2.318753
  H      -2.720337     -2.015197      5.863258
  H      -4.599913      0.254495      2.533609
  H      -9.409754      9.839349      0.820459
  H      -8.176388     10.392660     -0.321024
  H      -9.526893      9.355946     -0.897852
  H      -7.487430     10.284253      2.081388
  H      -5.709119     10.219102      3.827625
  H      -3.874519      3.670453      2.822603
  H      -6.117757      6.473163      0.594805
  H     -12.337980      2.393449     -0.769832
  H     -11.027684      3.591557     -0.988841
  H     -12.161133      3.788609      0.352996
  H      -9.840353      4.843106      0.570947
  H      -8.093721      5.835915      2.024375
  H      -6.553080      1.898797      6.737480
  H      -9.435561      1.108215      2.696823
  N      -2.665858      1.523907      3.065758
  N      -2.686278      1.821532      1.693333
  H      -3.683653      1.650738      1.231415
  H      -1.984557      1.247920      1.199000
  H      -2.446382      2.818129      1.530206
91
Coordinates from ORCA-job orca E -6725.219763257586
  N      -1.969475     -0.001463      5.588798
  Mo     -3.061761      1.571546      4.800835
  N      -4.517100      1.816720      6.273639
  C      -4.181677      2.136654      7.665374
  C      -2.708136      1.850688      7.895950
  N      -1.876857      2.270573      6.727936
  C      -0.576544      1.537945      6.728021
  C      -0.819912      0.053221      6.467606
  C      -1.635538      3.741579      6.677515
  C      -2.752075      4.450907      5.940133
  N      -3.046087      3.676970      4.738587
  H       0.069585     -0.388648      5.991841
  H      -1.016569     -0.511314      7.392580
  H       0.021121      1.960296      5.909849
  H      -0.033248      1.703414      7.672677
  H      -3.661962      4.549942      6.551545
  H      -2.443270      5.469704      5.665427
  H      -1.493863      4.137569      7.695246
  H      -0.702353      3.890340      6.118328
  H      -4.778555      1.521770      8.359353
  H      -4.420935      3.189202      7.884827
  H      -2.572558      0.770502      8.022708
  H      -2.343004      2.347134      8.809189
  C      -7.055444      1.524302     -0.647363
  C      -6.073653      1.125532      0.411022
  O      -4.968358      1.707401      0.430528
  C      -6.443459      0.097669      1.399815
  C      -7.699042     -0.543014      1.355241
  C      -8.049617     -1.473897      2.321732
  C      -7.148209     -1.776751      3.338709
  F      -7.534921     -2.650435      4.271441
  C      -5.878423     -1.170293      3.418265
  C      -4.883496     -1.553046      4.453746
  O      -4.891568     -2.642711      5.016389
  N      -3.875588     -0.601183      4.710917
  C      -2.823027     -0.994937      5.425047
  C      -5.560236     -0.232575      2.437170
  C      -8.779612      9.514585     -0.130073
  C      -7.977765      8.275067      0.182778
  O      -8.214383      7.205091     -0.376483
  C      -6.893003      8.363430      1.208011
  C      -6.779580      9.446076      2.097345
  C      -5.802697      9.446541      3.087765
  C      -4.941795      8.357685      3.193271
  F      -3.995748      8.404163      4.153150
  C      -5.003729      7.267062      2.309654
  C      -4.122582      6.057679      2.367447
  O      -3.777023      5.488792      1.321113
  N      -3.779707      5.627025      3.644139
  C      -3.569526      4.335112      3.694717
  C      -5.981684      7.305978      1.311692
  C     -11.692572      3.015956     -0.189745
  C     -10.797104      2.173639      0.684905
  O     -10.869942      0.946557      0.682588
  C      -9.785873      2.864778      1.545096
  C      -9.401112      4.201056      1.340475
  C      -8.396289      4.768821      2.115012
  C      -7.769331      3.997145      3.088767
  F      -6.810759      4.590836      3.834172
  C      -8.130957      2.665103      3.339237
  C      -7.531174      1.800295      4.404577
  O      -8.203714      0.913879      4.934892
  N      -6.182215      2.007801      4.681568
  C      -5.814922      1.885835      5.927897
  C      -9.162319      2.131466      2.561205
  H      -7.964447      1.928808     -0.176627
  H      -6.608646      2.287322     -1.292004
  H      -7.367474      0.656759     -1.247025
  H      -8.427909     -0.293163      0.584735
  H      -9.026862     -1.955912      2.317194
  H      -2.685970     -2.012349      5.819273
  H      -4.592683      0.254995      2.508173
  H      -9.366818      9.822415      0.749482
  H      -8.122024     10.357557     -0.388683
  H      -9.462466      9.304114     -0.959716
  H      -7.462054     10.293213      2.027083
  H      -5.694271     10.277497      3.785130
  H      -3.883498      3.711995      2.850568
  H      -6.044496      6.474721      0.608824
  H     -12.426252      2.373012     -0.686836
  H     -11.097054      3.540355     -0.953931
  H     -12.205723      3.789515      0.400263
  H      -9.869384      4.809077      0.566039
  H      -8.090680      5.803532      1.971192
  H      -6.560859      1.869180      6.741178
  H      -9.483081      1.107955      2.752580
  N      -2.680985      1.571134      3.060300
  N      -2.710639      1.905824      1.696375
  H      -3.700038      1.711006      1.230559
  H      -1.986338      1.374585      1.187371
  H      -2.512014      2.916488      1.559807
91
Coordinates from ORCA-job orca E -6725.220068489878
  N      -1.955038      0.011309      5.554396
  Mo     -3.073699      1.581436      4.797579
  N      -4.522049      1.792950      6.282638
  C      -4.183523      2.082886      7.680624
  C      -2.705617      1.806044      7.895706
  N      -1.888375      2.263670      6.732132
  C      -0.575659      1.552771      6.708850
  C      -0.795713      0.068805      6.420233
  C      -1.675165      3.739183      6.711700
  C      -2.803944      4.443182      5.985290
  N      -3.085876      3.686957      4.769674
  H       0.095258     -0.346273      5.923690
  H      -0.970605     -0.518260      7.335347
  H       0.009549      2.001571      5.895890
  H      -0.029555      1.708642      7.653412
  H      -3.716187      4.517150      6.596595
  H      -2.510193      5.471088      5.728661
  H      -1.544972      4.117305      7.737670
  H      -0.743339      3.918269      6.159237
  H      -4.771108      1.445637      8.362038
  H      -4.431446      3.127259      7.927641
  H      -2.557922      0.724675      7.995622
  H      -2.340170      2.284739      8.818250
  C      -7.088100      1.501003     -0.656451
  C      -6.107823      1.128754      0.413055
  O      -5.017831      1.739258      0.442740
  C      -6.464193      0.098301      1.403356
  C      -7.719033     -0.544419      1.368874
  C      -8.061425     -1.473413      2.340021
  C      -7.150159     -1.773489      3.349112
  F      -7.527095     -2.648246      4.284842
  C      -5.880167     -1.166337      3.417943
  C      -4.873811     -1.550749      4.442623
  O      -4.873008     -2.643303      4.999522
  N      -3.866268     -0.597827      4.693545
  C      -2.804468     -0.987848      5.396437
  C      -5.571654     -0.228463      2.433694
  C      -8.744380      9.509106     -0.149893
  C      -7.955695      8.270194      0.195403
  O      -8.209991      7.185964     -0.327821
  C      -6.857859      8.376083      1.204907
  C      -6.725309      9.479790      2.064231
  C      -5.737203      9.499814      3.044274
  C      -4.883680      8.407509      3.166241
  F      -3.924304      8.461889      4.112781
  C      -4.965198      7.296729      2.311469
  C      -4.091725      6.085628      2.398381
  O      -3.722735      5.505163      1.365638
  N      -3.788471      5.653627      3.681808
  C      -3.590042      4.359499      3.728452
  C      -5.953806      7.313356      1.324664
  C     -11.687800      2.976817     -0.189556
  C     -10.808101      2.140446      0.706958
  O     -10.894769      0.914527      0.726802
  C      -9.787937      2.835812      1.552668
  C      -9.387328      4.163738      1.322277
  C      -8.375048      4.735057      2.084549
  C      -7.757021      3.975431      3.073286
  F      -6.797770      4.575186      3.812628
  C      -8.130652      2.650286      3.345580
  C      -7.533173      1.791451      4.417547
  O      -8.207237      0.908477      4.951896
  N      -6.184961      1.999980      4.694764
  C      -5.819174      1.861448      5.940674
  C      -9.169776      2.114130      2.580270
  H      -8.011039      1.888706     -0.199579
  H      -6.651896      2.270752     -1.300656
  H      -7.376147      0.623726     -1.254044
  H      -8.453589     -0.298472      0.602706
  H      -9.037475     -1.957692      2.343874
  H      -2.655231     -2.005160      5.786408
  H      -4.602260      0.258147      2.491148
  H      -9.321542      9.851078      0.723658
  H      -8.078696     10.335686     -0.439007
  H      -9.436085      9.281648     -0.967616
  H      -7.403236     10.329337      1.979076
  H      -5.615914     10.347679      3.718666
  H      -3.912711      3.746415      2.881706
  H      -6.028559      6.464294      0.644037
  H     -12.430602      2.334742     -0.674090
  H     -11.082053      3.473460     -0.964115
  H     -12.189157      3.771964      0.381582
  H      -9.849752      4.762759      0.537522
  H      -8.058271      5.762561      1.915184
  H      -6.566243      1.829406      6.752358
  H      -9.500583      1.097548      2.791716
  N      -2.709937      1.624577      3.053297
  N      -2.766881      2.000740      1.700250
  H      -3.749834      1.768717      1.236215
  H      -2.017557      1.527397      1.171269
  H      -2.628815      3.027033      1.592475
91
Coordinates from ORCA-job orca E -6725.220389417174
  N      -1.942351      0.018392      5.508364
  Mo     -3.084328      1.593587      4.792829
  N      -4.521757      1.779874      6.294788
  C      -4.172048      2.035909      7.696672
  C      -2.691749      1.754802      7.891987
  N      -1.883959      2.245264      6.735554
  C      -0.564805      1.546998      6.684045
  C      -0.773982      0.068431      6.363260
  C      -1.681340      3.722608      6.747229
  C      -2.815994      4.434979      6.037017
  N      -3.105634      3.699693      4.808507
  H       0.116191     -0.325409      5.847928
  H      -0.933554     -0.542724      7.265155
  H       0.008145      2.023278      5.878398
  H      -0.011492      1.683559      7.627460
  H      -3.724775      4.495539      6.654922
  H      -2.526005      5.468324      5.799132
  H      -1.555562      4.080774      7.780869
  H      -0.749696      3.921067      6.201108
  H      -4.752730      1.380363      8.366401
  H      -4.417211      3.073710      7.972189
  H      -2.541687      0.671174      7.961193
  H      -2.319140      2.208162      8.824536
  C      -7.114364      1.475997     -0.676198
  C      -6.142429      1.128626      0.411148
  O      -5.051728      1.736387      0.435280
  C      -6.495794      0.103255      1.409574
  C      -7.755057     -0.532666      1.393088
  C      -8.090630     -1.455654      2.373173
  C      -7.167856     -1.757602      3.372808
  F      -7.532663     -2.628776      4.315981
  C      -5.894809     -1.155176      3.421241
  C      -4.875501     -1.539799      4.432921
  O      -4.869390     -2.632616      4.988231
  N      -3.864644     -0.588367      4.670084
  C      -2.794540     -0.980234      5.358494
  C      -5.593452     -0.224807      2.429138
  C      -8.721366      9.449385     -0.210017
  C      -7.907824      8.229402      0.147418
  O      -8.131125      7.139001     -0.377018
  C      -6.834307      8.361076      1.180210
  C      -6.741809      9.471075      2.034442
  C      -5.773434      9.517310      3.033322
  C      -4.899430      8.443592      3.178164
  F      -3.962398      8.524848      4.143345
  C      -4.941852      7.325155      2.330781
  C      -4.052227      6.127914      2.447559
  O      -3.633998      5.563019      1.423752
  N      -3.786556      5.690907      3.738853
  C      -3.602410      4.392735      3.781337
  C      -5.912874      7.316180      1.326155
  C     -11.673828      2.982303     -0.186589
  C     -10.808979      2.147744      0.724878
  O     -10.920719      0.923848      0.771811
  C      -9.778300      2.838477      1.560367
  C      -9.353985      4.156347      1.308416
  C      -8.332514      4.721453      2.064971
  C      -7.731979      3.965397      3.066539
  F      -6.763980      4.558656      3.797759
  C      -8.126513      2.650849      3.357223
  C      -7.532421      1.795397      4.435046
  O      -8.207863      0.916008      4.973363
  N      -6.184037      2.004298      4.712602
  C      -5.818328      1.852575      5.957820
  C      -9.175711      2.122619      2.599797
  H      -8.043088      1.869261     -0.235856
  H      -6.673708      2.233047     -1.332261
  H      -7.391152      0.585376     -1.259369
  H      -8.497854     -0.285161      0.635305
  H      -9.069135     -1.933992      2.392685
  H      -2.635971     -1.998842      5.741316
  H      -4.618369      0.252686      2.469603
  H      -9.325216      9.771810      0.653026
  H      -8.071526     10.294578     -0.481636
  H      -9.390558      9.207479     -1.042011
  H      -7.437037     10.304657      1.931926
  H      -5.685354     10.372163      3.703807
  H      -3.941400      3.792494      2.932756
  H      -5.963235      6.461266      0.650272
  H     -12.429235      2.343380     -0.656419
  H     -11.057373      3.449007     -0.971098
  H     -12.160783      3.798619      0.366150
  H      -9.799627      4.749266      0.509930
  H      -7.997899      5.739739      1.876676
  H      -6.564790      1.809584      6.769861
  H      -9.523037      1.114702      2.824007
  N      -2.742883      1.673694      3.044987
  N      -2.819286      2.091736      1.704610
  H      -3.787131      1.829531      1.237264
  H      -2.051061      1.669477      1.159543
  H      -2.729800      3.128356      1.625213
91
Coordinates from ORCA-job orca E -6725.220718833082
  N      -1.925231      0.031175      5.478456
  Mo     -3.096675      1.601833      4.794629
  N      -4.528955      1.750679      6.308818
  C      -4.175049      1.976681      7.714488
  C      -2.690229      1.710406      7.896189
  N      -1.893456      2.235128      6.746975
  C      -0.564839      1.558485      6.673841
  C      -0.752838      0.084475      6.326408
  C      -1.711063      3.713742      6.788455
  C      -2.855353      4.427033      6.095904
  N      -3.148965      3.710144      4.857220
  H       0.140419     -0.283647      5.797632
  H      -0.896921     -0.547381      7.216246
  H      -0.004946      2.062367      5.876098
  H      -0.008756      1.682979      7.617317
  H      -3.760966      4.470906      6.719905
  H      -2.573278      5.466372      5.875217
  H      -1.591005      4.053728      7.829026
  H      -0.781345      3.936236      6.248202
  H      -4.744117      1.297194      8.369994
  H      -4.430279      3.004410      8.017374
  H      -2.525357      0.627835      7.943610
  H      -2.317989      2.149274      8.836027
  C      -7.117725      1.470479     -0.695626
  C      -6.139450      1.121386      0.386211
  O      -5.044664      1.719989      0.402463
  C      -6.493309      0.103137      1.392767
  C      -7.754737     -0.528885      1.385526
  C      -8.086685     -1.449009      2.369422
  C      -7.159150     -1.752027      3.364923
  F      -7.518565     -2.620897      4.311108
  C      -5.885159     -1.150788      3.404781
  C      -4.861735     -1.532425      4.415168
  O      -4.854336     -2.624692      4.971382
  N      -3.850442     -0.581360      4.649324
  C      -2.773607     -0.970716      5.332255
  C      -5.586630     -0.224516      2.407733
  C      -8.702534      9.474818     -0.222975
  C      -7.918313      8.245538      0.167753
  O      -8.186812      7.142576     -0.306672
  C      -6.815031      8.387640      1.167159
  C      -6.655372      9.535329      1.958309
  C      -5.654805      9.595443      2.924967
  C      -4.818024      8.496552      3.101319
  F      -3.848358      8.589020      4.032147
  C      -4.931618      7.337147      2.320004
  C      -4.095395      6.108685      2.480137
  O      -3.726137      5.481923      1.471897
  N      -3.833546      5.708732      3.783662
  C      -3.646122      4.410259      3.844332
  C      -5.931639      7.315115      1.345230
  C     -11.671153      2.936752     -0.183568
  C     -10.809613      2.110538      0.737784
  O     -10.924883      0.886828      0.798046
  C      -9.785284      2.807933      1.575159
  C      -9.366323      4.127597      1.319935
  C      -8.353064      4.701620      2.082501
  C      -7.756046      3.950370      3.089881
  F      -6.799226      4.551864      3.827042
  C      -8.142348      2.632847      3.380728
  C      -7.540390      1.777397      4.455571
  O      -8.209459      0.892354      4.992098
  N      -6.191854      1.989575      4.730861
  C      -5.824977      1.819437      5.974728
  C      -9.186130      2.098554      2.620248
  H      -8.036076      1.878177     -0.248893
  H      -6.674935      2.215933     -1.363136
  H      -7.409022      0.577390     -1.267952
  H      -8.501047     -0.282701      0.630613
  H      -9.066593     -1.924702      2.396628
  H      -2.602249     -1.988556      5.711343
  H      -4.607654      0.247100      2.437339
  H      -9.275706      9.850813      0.639229
  H      -8.033990     10.287189     -0.543777
  H      -9.398704      9.219892     -1.028625
  H      -7.322451     10.388621      1.832491
  H      -5.515534     10.481422      3.544241
  H      -3.997240      3.811227      3.000629
  H      -6.037327      6.429085      0.716781
  H     -12.425410      2.292813     -0.648088
  H     -11.049453      3.392223     -0.970603
  H     -12.160492      3.760074      0.357009
  H      -9.807849      4.715239      0.515366
  H      -8.026590      5.722290      1.888622
  H      -6.570649      1.760432      6.786354
  H      -9.529039      1.089259      2.845328
  N      -2.758622      1.721436      3.046873
  N      -2.848076      2.167653      1.715946
  H      -3.797329      1.872125      1.240885
  H      -2.061636      1.790288      1.164409
  H      -2.804082      3.211510      1.654340
91
Coordinates from ORCA-job orca E -6725.221201894593
  N      -1.907725      0.039024      5.440275
  Mo     -3.105901      1.604424      4.792041
  N      -4.526691      1.725205      6.321129
  C      -4.164749      1.922322      7.727822
  C      -2.675434      1.668658      7.891608
  N      -1.894732      2.223475      6.745456
  C      -0.557947      1.566371      6.650417
  C      -0.728229      0.095287      6.278003
  C      -1.731800      3.703390      6.813660
  C      -2.887362      4.414661      6.137038
  N      -3.183230      3.713416      4.889938
  H       0.164430     -0.251146      5.734108
  H      -0.855008     -0.553597      7.158239
  H      -0.010886      2.091737      5.857514
  H       0.002664      1.682511      7.592378
  H      -3.790021      4.442258      6.766475
  H      -2.615774      5.459601      5.928650
  H      -1.614731      4.025672      7.860334
  H      -0.805643      3.949655      6.277716
  H      -4.720925      1.221677      8.372086
  H      -4.428411      2.940027      8.056850
  H      -2.497643      0.587562      7.918858
  H      -2.299633      2.094433      8.836164
  C      -7.125112      1.432178     -0.714915
  C      -6.143450      1.095773      0.367740
  O      -5.047897      1.691423      0.373192
  C      -6.498707      0.095927      1.392315
  C      -7.765295     -0.524910      1.403802
  C      -8.097522     -1.430287      2.400937
  C      -7.165084     -1.731097      3.391472
  F      -7.525405     -2.583015      4.352569
  C      -5.884730     -1.142653      3.412172
  C      -4.857391     -1.524987      4.418154
  O      -4.848353     -2.615601      4.978305
  N      -3.840771     -0.576411      4.637882
  C      -2.756908     -0.964035      5.308580
  C      -5.585173     -0.229304      2.402424
  C      -8.675417      9.461405     -0.269393
  C      -7.887766      8.236191      0.127250
  O      -8.137468      7.134728     -0.360338
  C      -6.800652      8.383121      1.143140
  C      -6.654025      9.533793      1.934559
  C      -5.668984      9.594749      2.916499
  C      -4.835590      8.496025      3.109458
  F      -3.883321      8.589825      4.058560
  C      -4.934892      7.335535      2.328372
  C      -4.103533      6.107387      2.506704
  O      -3.727459      5.470524      1.504356
  N      -3.858591      5.719391      3.815135
  C      -3.673873      4.419271      3.878810
  C      -5.918935      7.312526      1.336932
  C     -11.662532      2.948614     -0.175606
  C     -10.807106      2.122483      0.751608
  O     -10.930524      0.899962      0.817539
  C      -9.775868      2.817902      1.582896
  C      -9.350325      4.132828      1.318203
  C      -8.333939      4.707026      2.075604
  C      -7.740076      3.960871      3.089053
  F      -6.781398      4.564463      3.823637
  C      -8.132545      2.647196      3.389600
  C      -7.538114      1.793864      4.469123
  O      -8.215249      0.915677      5.007643
  N      -6.187417      1.995311      4.746647
  C      -5.822261      1.805500      5.989051
  C      -9.178349      2.112180      2.631663
  H      -8.037711      1.856752     -0.270995
  H      -6.678611      2.162092     -1.396925
  H      -7.424523      0.530841     -1.269780
  H      -8.516586     -0.281320      0.652891
  H      -9.082713     -1.894536      2.442059
  H      -2.576392     -1.980997      5.685822
  H      -4.599529      0.229495      2.415931
  H      -9.265975      9.826917      0.585477
  H      -8.009108     10.281334     -0.574277
  H      -9.355934      9.205289     -1.088122
  H      -7.318913     10.386904      1.797713
  H      -5.540076     10.481521      3.537077
  H      -4.029040      3.821133      3.035946
  H      -6.016890      6.425675      0.708583
  H     -12.421294      2.306977     -0.635418
  H     -11.036887      3.393174     -0.966022
  H     -12.146075      3.780084      0.358056
  H      -9.791102      4.717272      0.510542
  H      -8.003832      5.724884      1.874037
  H      -6.568221      1.739944      6.799445
  H      -9.526108      1.106537      2.865316
  N      -2.781629      1.761182      3.044161
  N      -2.888265      2.237168      1.724634
  H      -3.812599      1.899512      1.237231
  H      -2.079925      1.917514      1.168294
  H      -2.904273      3.285085      1.687336
91
Coordinates from ORCA-job orca E -6725.221236135587
  N      -1.873598      0.062716      5.391785
  Mo     -3.119443      1.606758      4.786226
  N      -4.523319      1.675195      6.334600
  C      -4.152156      1.856665      7.738852
  C      -2.654688      1.639865      7.882081
  N      -1.900940      2.228195      6.733833
  C      -0.550982      1.604029      6.616571
  C      -0.688884      0.134862      6.220774
  C      -1.769187      3.710688      6.824081
  C      -2.947084      4.408350      6.173158
  N      -3.248891      3.715936      4.924516
  H       0.206146     -0.181633      5.663243
  H      -0.791632     -0.530487      7.092076
  H      -0.022855      2.152094      5.825756
  H       0.014613      1.720868      7.555527
  H      -3.841104      4.413099      6.815781
  H      -2.698281      5.460600      5.970544
  H      -1.645755      4.017674      7.874745
  H      -0.854654      3.986078      6.282678
  H      -4.681850      1.130568      8.377571
  H      -4.439779      2.861298      8.088369
  H      -2.448141      0.563760      7.895576
  H      -2.278977      2.063841      8.827461
  C      -7.239166      1.422322     -0.652696
  C      -6.220867      1.088291      0.395724
  O      -5.131254      1.692737      0.374062
  C      -6.540015      0.081916      1.426198
  C      -7.798060     -0.553334      1.466237
  C      -8.097456     -1.465305      2.467285
  C      -7.140962     -1.757903      3.434864
  F      -7.472170     -2.613549      4.404004
  C      -5.866028     -1.157426      3.426983
  C      -4.817947     -1.535022      4.412078
  O      -4.789224     -2.624918      4.973701
  N      -3.807492     -0.575808      4.618588
  C      -2.709136     -0.951573      5.270005
  C      -5.597217     -0.237568      2.412593
  C      -8.524214      9.641083     -0.368454
  C      -7.790070      8.383892      0.030687
  O      -8.062292      7.299178     -0.481223
  C      -6.735562      8.478665      1.085773
  C      -6.568318      9.617795      1.894142
  C      -5.618598      9.624466      2.910832
  C      -4.843290      8.488058      3.126173
  F      -3.926030      8.534782      4.113870
  C      -4.962913      7.339169      2.330779
  C      -4.194056      6.074566      2.525109
  O      -3.840611      5.411704      1.527686
  N      -3.948359      5.711864      3.838538
  C      -3.759198      4.411658      3.915717
  C      -5.908057      7.371006      1.301325
  C     -11.623428      2.860179     -0.205818
  C     -10.753880      2.039537      0.713729
  O     -10.833718      0.812548      0.741304
  C      -9.757728      2.748165      1.577204
  C      -9.374488      4.081341      1.350095
  C      -8.388820      4.671171      2.133494
  C      -7.780624      3.922706      3.137027
  F      -6.848368      4.539560      3.896789
  C      -8.134744      2.591655      3.405234
  C      -7.534394      1.735971      4.477258
  O      -8.202500      0.840049      4.999019
  N      -6.187386      1.953074      4.766415
  C      -5.820998      1.746732      6.006304
  C      -9.150148      2.038373      2.618488
  H      -8.138059      1.841794     -0.175518
  H      -6.817822      2.159099     -1.343669
  H      -7.551440      0.522154     -1.201740
  H      -8.570879     -0.315123      0.735697
  H      -9.077756     -1.938251      2.528934
  H      -2.504430     -1.966878      5.639578
  H      -4.615843      0.230490      2.404601
  H      -9.125852     10.013920      0.475399
  H      -7.822843     10.442135     -0.642434
  H      -9.188968      9.420056     -1.210224
  H      -7.187195     10.502161      1.742606
  H      -5.471332     10.498521      3.545605
  H      -4.111434      3.802577      3.079833
  H      -6.019933      6.496823      0.658195
  H     -12.351037      2.205416     -0.695754
  H     -11.002789      3.349205     -0.973899
  H     -12.144555      3.659492      0.341768
  H      -9.827920      4.669576      0.551683
  H      -8.090577      5.704604      1.964768
  H      -6.565135      1.660173      6.815979
  H      -9.466845      1.016922      2.825458
  N      -2.815615      1.807632      3.039127
  N      -2.944649      2.307904      1.730533
  H      -3.842681      1.925628      1.234211
  H      -2.120090      2.042819      1.168983
  H      -3.018689      3.356728      1.714459
91
Coordinates from ORCA-job orca E -6725.221586594213
  N      -1.867173      0.088108      5.375624
  Mo     -3.138359      1.619887      4.796873
  N      -4.533964      1.648322      6.354413
  C      -4.159605      1.823156      7.757413
  C      -2.658617      1.628241      7.892086
  N      -1.921050      2.238264      6.744804
  C      -0.563871      1.633085      6.618834
  C      -0.682842      0.166190      6.205745
  C      -1.807726      3.722731      6.851408
  C      -2.998265      4.414188      6.216535
  N      -3.300176      3.727711      4.968095
  H       0.214876     -0.131858      5.642806
  H      -0.774246     -0.510478      7.069912
  H      -0.042542      2.191647      5.830375
  H       0.001358      1.750698      7.557789
  H      -3.887589      4.402894      6.865808
  H      -2.765077      5.471105      6.017278
  H      -1.678938      4.017177      7.904909
  H      -0.900936      4.015610      6.306651
  H      -4.673944      1.083479      8.393503
  H      -4.463545      2.819821      8.116548
  H      -2.435082      0.555380      7.895658
  H      -2.285630      2.049979      8.839252
  C      -7.137533      1.398579     -0.738141
  C      -6.134656      1.077146      0.329335
  O      -5.058454      1.706294      0.341267
  C      -6.457304      0.054200      1.342922
  C      -7.699454     -0.611300      1.343934
  C      -8.010713     -1.527309      2.337828
  C      -7.080418     -1.792858      3.336289
  F      -7.425914     -2.652025      4.299382
  C      -5.817949     -1.167261      3.366153
  C      -4.794253     -1.530146      4.379989
  O      -4.761009     -2.619410      4.942365
  N      -3.793999     -0.562187      4.602525
  C      -2.693420     -0.933096      5.249452
  C      -5.535828     -0.244240      2.357080
  C      -8.374501      9.711911     -0.494354
  C      -7.676235      8.441430     -0.074367
  O      -7.957272      7.360308     -0.588928
  C      -6.654732      8.516291      1.014008
  C      -6.491738      9.652704      1.830768
  C      -5.580241      9.636028      2.880770
  C      -4.839732      8.482886      3.124382
  F      -3.959665      8.509171      4.147610
  C      -4.953502      7.338312      2.321127
  C      -4.219042      6.058876      2.540856
  O      -3.859526      5.374975      1.557142
  N      -3.999597      5.713966      3.861514
  C      -3.822891      4.412913      3.955713
  C      -5.858207      7.392747      1.256226
  C     -11.803069      2.861733     -0.013544
  C     -10.918622      2.028668      0.881469
  O     -11.023674      0.804986      0.920437
  C      -9.871939      2.722327      1.696387
  C      -9.464978      4.041194      1.437497
  C      -8.436857      4.616000      2.173443
  C      -7.809266      3.868484      3.165513
  F      -6.835408      4.471540      3.884941
  C      -8.182125      2.549859      3.463011
  C      -7.567435      1.698197      4.528276
  O      -8.239084      0.824015      5.082898
  N      -6.216382      1.916432      4.799626
  C      -5.835286      1.709656      6.034812
  C      -9.238272      2.009564      2.721539
  H      -8.057295      1.794087     -0.277047
  H      -6.717706      2.154695     -1.409979
  H      -7.419492      0.498999     -1.303371
  H      -8.455546     -0.390019      0.591171
  H      -8.981900     -2.021341      2.368431
  H      -2.475490     -1.949211      5.609625
  H      -4.566075      0.246662      2.378061
  H      -8.989469     10.099559      0.333119
  H      -7.650546     10.498112     -0.753063
  H      -9.021144      9.501874     -1.352816
  H      -7.082893     10.552003      1.658869
  H      -5.433635     10.504093      3.524177
  H      -4.172040      3.794114      3.128040
  H      -5.960036      6.523445      0.605295
  H     -12.564021      2.221185     -0.470418
  H     -11.204544      3.332408     -0.810083
  H     -12.282192      3.677203      0.547997
  H      -9.937894      4.630050      0.650656
  H      -8.114602      5.637916      1.983479
  H      -6.571829      1.612347      6.850221
  H      -9.570424      0.998905      2.954764
  N      -2.847073      1.861306      3.053433
  N      -2.989155      2.389173      1.756572
  H      -3.869431      1.980887      1.252694
  H      -2.154391      2.165231      1.191675
  H      -3.103648      3.437821      1.764132
91
Coordinates from ORCA-job orca E -6725.221285276255
  N      -1.890100      0.064302      5.359078
  Mo     -3.125675      1.635716      4.808293
  N      -4.517610      1.679194      6.369589
  C      -4.134049      1.830483      7.774233
  C      -2.638541      1.590072      7.902808
  N      -1.886944      2.195583      6.762747
  C      -0.545950      1.556069      6.625462
  C      -0.703534      0.099390      6.190857
  C      -1.731224      3.676518      6.886966
  C      -2.904224      4.410741      6.265709
  N      -3.233496      3.742895      5.015137
  H       0.186817     -0.211463      5.622581
  H      -0.810866     -0.589338      7.043540
  H      -0.011206      2.111136      5.843814
  H       0.025032      1.645112      7.563884
  H      -3.788557      4.416405      6.921790
  H      -2.643370      5.462552      6.075004
  H      -1.588637      3.953945      7.943020
  H      -0.819040      3.948305      6.340251
  H      -4.667639      1.100160      8.405198
  H      -4.407618      2.832238      8.143123
  H      -2.446119      0.510789      7.889230
  H      -2.252155      1.987232      8.855035
  C      -7.155624      1.380821     -0.815326
  C      -6.154134      1.055905      0.253141
  O      -5.048597      1.631795      0.223886
  C      -6.507441      0.085242      1.308588
  C      -7.776147     -0.527558      1.347154
  C      -8.109705     -1.398986      2.374466
  C      -7.173143     -1.671356      3.366611
  F      -7.535136     -2.489640      4.359631
  C      -5.887700     -1.093330      3.361009
  C      -4.860447     -1.474720      4.363131
  O      -4.852466     -2.559218      4.933616
  N      -3.837565     -0.529618      4.584171
  C      -2.743441     -0.935514      5.218959
  C      -5.585744     -0.214467      2.320970
  C      -8.659526      9.261505     -0.403517
  C      -7.838688      8.072141      0.032931
  O      -8.033552      6.954202     -0.441130
  C      -6.787507      8.274584      1.077072
  C      -6.703282      9.443371      1.855748
  C      -5.760735      9.543424      2.873739
  C      -4.908052      8.471859      3.121837
  F      -4.003137      8.611268      4.112444
  C      -4.938301      7.299519      2.349269
  C      -4.089009      6.094735      2.582756
  O      -3.713150      5.403581      1.609276
  N      -3.884815      5.749480      3.906823
  C      -3.748553      4.444968      4.011057
  C      -5.880454      7.237855      1.317751
  C     -11.628759      3.064259     -0.124287
  C     -10.806728      2.221144      0.819612
  O     -10.977728      1.007453      0.905541
  C      -9.745929      2.890784      1.635006
  C      -9.263598      4.177641      1.340200
  C      -8.226587      4.726280      2.084926
  C      -7.669910      3.985230      3.122515
  F      -6.697217      4.567785      3.857025
  C      -8.110867      2.695532      3.449152
  C      -7.552221      1.851463      4.553434
  O      -8.262135      1.006331      5.104752
  N      -6.193655      2.011354      4.823231
  C      -5.817038      1.784224      6.056122
  C      -9.174004      2.182757      2.698542
  H      -8.045821      1.843337     -0.359073
  H      -6.710462      2.082890     -1.528133
  H      -7.494865      0.473628     -1.334871
  H      -8.531202     -0.301086      0.595208
  H      -9.097225     -1.855098      2.433163
  H      -2.551114     -1.961535      5.565399
  H      -4.596897      0.236113      2.310084
  H      -9.280630      9.622101      0.431703
  H      -8.015763     10.099252     -0.711022
  H      -9.311038      8.966759     -1.232481
  H      -7.382652     10.277730      1.681244
  H      -5.675339     10.439304      3.489190
  H      -4.134579      3.835592      3.195882
  H      -5.924463      6.342473      0.697471
  H     -12.413709      2.446851     -0.573741
  H     -10.992585      3.473875     -0.924865
  H     -12.074543      3.922973      0.397735
  H      -9.684402      4.759437      0.519939
  H      -7.842480      5.722134      1.870426
  H      -6.554914      1.704858      6.873100
  H      -9.560422      1.196620      2.952081
  N      -2.839226      1.902985      3.068479
  N      -2.973851      2.468605      1.785064
  H      -3.863599      2.089479      1.274911
  H      -2.143326      2.244997      1.213777
  H      -3.073361      3.522010      1.817254
91
Coordinates from ORCA-job orca E -6725.222958067343
  N      -1.886177      0.073680      5.313557
  Mo     -3.157564      1.633641      4.805009
  N      -4.519438      1.654377      6.395055
  C      -4.108654      1.801825      7.792004
  C      -2.607450      1.576963      7.888486
  N      -1.880463      2.195166      6.738536
  C      -0.536789      1.569879      6.568584
  C      -0.686626      0.116309      6.124971
  C      -1.729294      3.675639      6.868672
  C      -2.919257      4.408260      6.280441
  N      -3.286780      3.740915      5.038683
  H       0.197910     -0.179016      5.539309
  H      -0.772580     -0.581908      6.972024
  H      -0.025199      2.140810      5.783243
  H       0.052513      1.654489      7.496199
  H      -3.783726      4.411649      6.962818
  H      -2.663730      5.460759      6.086822
  H      -1.564854      3.948655      7.922919
  H      -0.829799      3.954633      6.304336
  H      -4.620972      1.061572      8.428775
  H      -4.383043      2.798916      8.172710
  H      -2.404017      0.499875      7.865693
  H      -2.205333      1.972339      8.835381
  C      -7.177449      1.395974     -0.754653
  C      -6.203029      1.109028      0.349847
  O      -5.122672      1.727326      0.368785
  C      -6.552506      0.115504      1.386713
  C      -7.806492     -0.528825      1.404158
  C      -8.122786     -1.434198      2.408594
  C      -7.182389     -1.714118      3.396525
  F      -7.521776     -2.569043      4.365405
  C      -5.911663     -1.104610      3.405403
  C      -4.871469     -1.482678      4.393283
  O      -4.839155     -2.574771      4.948391
  N      -3.848676     -0.532736      4.587384
  C      -2.735594     -0.932070      5.192275
  C      -5.630067     -0.188665      2.393871
  C      -8.565312      9.462861     -0.440345
  C      -7.813904      8.231416      0.006226
  O      -8.051895      7.128703     -0.482710
  C      -6.759581      8.382316      1.056422
  C      -6.611644      9.550712      1.823874
  C      -5.665138      9.605943      2.841582
  C      -4.873652      8.489961      3.101305
  F      -3.964557      8.593680      4.090492
  C      -4.970878      7.311376      2.343582
  C      -4.199006      6.057606      2.592294
  O      -3.873996      5.333541      1.621179
  N      -3.966744      5.740363      3.919347
  C      -3.831135      4.436210      4.052181
  C      -5.914149      7.297935      1.310993
  C     -11.543958      2.913647     -0.201836
  C     -10.712647      2.094589      0.753870
  O     -10.845962      0.874640      0.832780
  C      -9.702700      2.796071      1.606411
  C      -9.265550      4.105054      1.337488
  C      -8.275792      4.687795      2.121555
  C      -7.722554      3.956252      3.167993
  F      -6.799069      4.572118      3.936078
  C      -8.120854      2.646444      3.471468
  C      -7.559133      1.812895      4.584852
  O      -8.252024      0.939341      5.111766
  N      -6.203091      1.988833      4.862568
  C      -5.821790      1.753945      6.094178
  C      -9.138635      2.100897      2.681200
  H      -8.097157      1.823824     -0.327095
  H      -6.734797      2.110383     -1.454682
  H      -7.461157      0.475356     -1.284416
  H      -8.562807     -0.303234      0.652898
  H      -9.099730     -1.914924      2.452306
  H      -2.524620     -1.956075      5.533181
  H      -4.649346      0.280427      2.395901
  H      -9.178728      9.852885      0.387066
  H      -7.874709     10.266454     -0.735779
  H      -9.219671      9.203812     -1.279160
  H      -7.242484     10.420610      1.640968
  H      -5.530763     10.502657      3.446884
  H      -4.251700      3.815474      3.261755
  H      -6.014371      6.402553      0.699180
  H     -12.293544      2.269209     -0.672896
  H     -10.902107      3.350844     -0.983274
  H     -12.036856      3.751539      0.312526
  H      -9.683096      4.677686      0.509160
  H      -7.931224      5.703673      1.930665
  H      -6.553788      1.666739      6.915384
  H      -9.493778      1.097634      2.910462
  N      -2.910203      1.913424      3.059871
  N      -3.078803      2.476412      1.777206
  H      -3.918757      2.030746      1.256579
  H      -2.230590      2.315765      1.211447
  H      -3.258415      3.523843      1.803965
91
Coordinates from ORCA-job orca E -6725.223031445166
  N      -1.824023      0.141379      5.284816
  Mo     -3.155774      1.659822      4.805310
  N      -4.531542      1.577193      6.379748
  C      -4.142317      1.709833      7.785018
  C      -2.633769      1.546956      7.891700
  N      -1.923426      2.224732      6.764933
  C      -0.552735      1.659898      6.592102
  C      -0.635221      0.213308      6.108633
  C      -1.836536      3.705543      6.935227
  C      -3.052104      4.404840      6.355530
  N      -3.383683      3.753216      5.096458
  H       0.266290     -0.026237      5.523533
  H      -0.697887     -0.510775      6.935507
  H      -0.058090      2.272250      5.827468
  H       0.023350      1.744747      7.527907
  H      -3.921448      4.356302      7.029931
  H      -2.836038      5.470883      6.189876
  H      -1.692330      3.956477      7.997942
  H      -0.945346      4.036820      6.386208
  H      -4.628997      0.933803      8.398620
  H      -4.463219      2.684757      8.186019
  H      -2.384389      0.480690      7.843136
  H      -2.258149      1.934687      8.852591
  C      -7.208727      1.399381     -0.760796
  C      -6.200989      1.106444      0.309690
  O      -5.131254      1.742876      0.310666
  C      -6.509741      0.094991      1.341178
  C      -7.752638     -0.568676      1.376238
  C      -8.033264     -1.491897      2.374331
  C      -7.067523     -1.768288      3.338036
  F      -7.372927     -2.643855      4.299305
  C      -5.808344     -1.134844      3.334787
  C      -4.744232     -1.504855      4.302592
  O      -4.682658     -2.603161      4.843310
  N      -3.755589     -0.524442      4.524362
  C      -2.630442     -0.895146      5.128720
  C      -5.562314     -0.201957      2.328034
  C      -8.235023      9.683174     -0.665757
  C      -7.603219      8.408768     -0.160995
  O      -7.918224      7.314337     -0.624915
  C      -6.591028      8.499544      0.936307
  C      -6.384573      9.669358      1.687311
  C      -5.481180      9.675826      2.746284
  C      -4.792642      8.507472      3.061108
  F      -3.918237      8.550437      4.085759
  C      -4.956093      7.324166      2.326236
  C      -4.297355      6.025923      2.639398
  O      -3.953309      5.268605      1.699973
  N      -4.098012      5.740689      3.972787
  C      -3.940194      4.440132      4.115805
  C      -5.849480      7.355939      1.252350
  C     -11.796091      2.838567      0.020180
  C     -10.902964      1.994760      0.895610
  O     -11.000037      0.768908      0.914212
  C      -9.865137      2.680890      1.726914
  C      -9.478843      4.014413      1.502498
  C      -8.466196      4.588389      2.262793
  C      -7.837652      3.823444      3.240736
  F      -6.893380      4.431222      3.990426
  C      -8.183293      2.487000      3.497268
  C      -7.550640      1.614277      4.541663
  O      -8.208429      0.721488      5.080565
  N      -6.209715      1.861955      4.833062
  C      -5.832081      1.621846      6.065791
  C      -9.225937      1.950726      2.734890
  H      -8.118447      1.809050     -0.299713
  H      -6.796487      2.132914     -1.460529
  H      -7.500400      0.484670     -1.296649
  H      -8.526980     -0.347964      0.642496
  H      -9.000254     -1.991658      2.430478
  H      -2.381315     -1.917233      5.448627
  H      -4.590391      0.286317      2.313924
  H      -8.844646     10.144943      0.126723
  H      -7.470504     10.419192     -0.953648
  H      -8.876923      9.454809     -1.523055
  H      -6.935366     10.581521      1.456779
  H      -5.301727     10.573570      3.338091
  H      -4.342150      3.810642      3.321308
  H      -5.986861      6.454631      0.653142
  H     -12.552843      2.200217     -0.447028
  H     -11.202481      3.328934     -0.767975
  H     -12.281415      3.638443      0.599057
  H      -9.956258      4.615307      0.728185
  H      -8.163356      5.622570      2.103089
  H      -6.569204      1.479470      6.874111
  H      -9.544830      0.928714      2.935515
  N      -2.905045      2.012315      3.073367
  N      -3.091555      2.622900      1.815901
  H      -3.920323      2.170518      1.276802
  H      -2.237278      2.516566      1.247614
  H      -3.311568      3.667094      1.883568
91
Coordinates from ORCA-job orca E -6725.224454220502
  N      -1.857104      0.117239      5.281711
  Mo     -3.175619      1.649963      4.814998
  N      -4.527780      1.600385      6.410912
  C      -4.114409      1.750626      7.806453
  C      -2.606742      1.566724      7.892345
  N      -1.902480      2.216771      6.745234
  C      -0.545209      1.624239      6.562344
  C      -0.659540      0.174774      6.094684
  C      -1.778719      3.698857      6.892711
  C      -2.990218      4.417799      6.330511
  N      -3.369865      3.752157      5.093753
  H       0.231841     -0.088063      5.504142
  H      -0.727375     -0.539393      6.930198
  H      -0.048038      2.216058      5.782977
  H       0.044434      1.710790      7.489590
  H      -3.842232      4.399527      7.028196
  H      -2.755691      5.476026      6.139769
  H      -1.601919      3.959794      7.948025
  H      -0.894052      4.001070      6.317470
  H      -4.602150      0.992990      8.442184
  H      -4.415259      2.737368      8.194362
  H      -2.374290      0.495995      7.854446
  H      -2.210940      1.961497      8.841976
  C      -7.213321      1.374364     -0.773360
  C      -6.209627      1.082689      0.302063
  O      -5.134981      1.710628      0.301362
  C      -6.530764      0.080789      1.340474
  C      -7.776239     -0.577178      1.370914
  C      -8.072933     -1.485335      2.378049
  C      -7.120951     -1.752169      3.356478
  F      -7.445270     -2.609205      4.329293
  C      -5.857243     -1.127922      3.357904
  C      -4.808641     -1.494705      4.342426
  O      -4.757472     -2.587598      4.895225
  N      -3.806169     -0.523786      4.551630
  C      -2.679096     -0.907219      5.143099
  C      -5.593192     -0.210582      2.340100
  C      -8.361462      9.622805     -0.572315
  C      -7.684880      8.358945     -0.099854
  O      -7.989618      7.261285     -0.562156
  C      -6.655484      8.462841      0.980460
  C      -6.460578      9.631851      1.738760
  C      -5.541566      9.646169      2.782972
  C      -4.824902      8.490176      3.079508
  F      -3.937326      8.550561      4.092179
  C      -4.973348      7.309112      2.334529
  C      -4.284265      6.020707      2.620851
  O      -3.999291      5.253359      1.666392
  N      -4.047476      5.734353      3.946570
  C      -3.943350      4.428661      4.111197
  C      -5.885026      7.333805      1.274081
  C     -11.630221      2.849079     -0.108730
  C     -10.772951      2.022131      0.817760
  O     -10.866521      0.797023      0.850084
  C      -9.769607      2.724612      1.677929
  C      -9.373391      4.052400      1.444154
  C      -8.390920      4.639440      2.231881
  C      -7.800113      3.893810      3.247719
  F      -6.882049      4.514789      4.021166
  C      -8.157771      2.564190      3.516643
  C      -7.566007      1.712440      4.599511
  O      -8.244583      0.827656      5.126652
  N      -6.217000      1.920834      4.884614
  C      -5.831870      1.675418      6.113246
  C      -9.170916      2.013770      2.724732
  H      -8.121574      1.798580     -0.317127
  H      -6.791755      2.098235     -1.478199
  H      -7.513504      0.458285     -1.301505
  H      -8.543518     -0.358458      0.629076
  H      -9.044416     -1.976451      2.430391
  H      -2.441816     -1.931882      5.464341
  H      -4.620431      0.275077      2.333465
  H      -8.959106     10.062180      0.241923
  H      -7.623063     10.379950     -0.874032
  H      -9.021051      9.387517     -1.414078
  H      -7.031450     10.535549      1.525394
  H      -5.368623     10.540853      3.381625
  H      -4.391090      3.789259      3.349454
  H      -6.015539      6.434790      0.670141
  H     -12.364411      2.201429     -0.598661
  H     -11.007211      3.331950     -0.878618
  H     -12.141581      3.655027      0.437923
  H      -9.820968      4.637294      0.640067
  H      -8.076220      5.669538      2.072073
  H      -6.562045      1.560081      6.932079
  H      -9.497032      0.995129      2.930264
  N      -2.946013      1.983624      3.078009
  N      -3.129900      2.579890      1.815448
  H      -3.962326      2.125104      1.290404
  H      -2.279684      2.452813      1.244755
  H      -3.339526      3.634857      1.867307
91
Coordinates from ORCA-job orca E -6725.224587244509
  N      -1.867023      0.106455      5.262014
  Mo     -3.180437      1.652755      4.818770
  N      -4.527098      1.606247      6.422142
  C      -4.101967      1.748468      7.815670
  C      -2.596014      1.543828      7.891086
  N      -1.888780      2.194087      6.746613
  C      -0.537653      1.589590      6.552373
  C      -0.666611      0.146452      6.072739
  C      -1.744259      3.673727      6.903195
  C      -2.950162      4.413623      6.355568
  N      -3.359122      3.755975      5.123513
  H       0.221948     -0.117226      5.477902
  H      -0.738689     -0.575730      6.900779
  H      -0.039290      2.185513      5.777389
  H       0.057617      1.660851      7.477270
  H      -3.792662      4.405388      7.064877
  H      -2.699893      5.468191      6.166297
  H      -1.557030      3.925356      7.958816
  H      -0.859522      3.967488      6.323620
  H      -4.595154      0.995789      8.452933
  H      -4.385452      2.738701      8.207472
  H      -2.377788      0.470185      7.841375
  H      -2.189820      1.924708      8.842081
  C      -7.181646      1.367002     -0.814271
  C      -6.202282      1.095478      0.290614
  O      -5.125908      1.719878      0.302843
  C      -6.544380      0.107567      1.337278
  C      -7.800291     -0.531018      1.370393
  C      -8.112981     -1.424651      2.386604
  C      -7.164587     -1.699824      3.367693
  F      -7.501107     -2.542120      4.348935
  C      -5.890327     -1.097928      3.361132
  C      -4.840774     -1.475419      4.340169
  O      -4.801572     -2.566188      4.896727
  N      -3.827383     -0.514978      4.540680
  C      -2.700532     -0.910861      5.122694
  C      -5.613065     -0.192046      2.338353
  C      -8.479738      9.437448     -0.545588
  C      -7.759094      8.205255     -0.054056
  O      -8.013341      7.092636     -0.510782
  C      -6.716651      8.364645      1.008011
  C      -6.556878      9.549034      1.746638
  C      -5.622294      9.616062      2.775433
  C      -4.852942      8.494731      3.073951
  F      -3.952380      8.607018      4.068786
  C      -4.964741      7.298268      2.345365
  C      -4.229224      6.037920      2.642325
  O      -3.917556      5.276847      1.687553
  N      -4.000855      5.749583      3.966790
  C      -3.926835      4.443116      4.146772
  C      -5.895763      7.271727      1.301870
  C     -11.553951      2.934197     -0.151455
  C     -10.729010      2.103147      0.799727
  O     -10.872774      0.884067      0.872671
  C      -9.715751      2.793173      1.657408
  C      -9.275249      4.103849      1.400267
  C      -8.287986      4.678369      2.193066
  C      -7.740083      3.936577      3.235279
  F      -6.823505      4.548172      4.015903
  C      -8.134846      2.622023      3.520989
  C      -7.567106      1.771730      4.619960
  O      -8.266882      0.911156      5.158564
  N      -6.214462      1.954709      4.902205
  C      -5.830172      1.700430      6.130306
  C      -9.153259      2.086384      2.726071
  H      -8.095624      1.810439     -0.388348
  H      -6.740428      2.066501     -1.530853
  H      -7.479005      0.439704     -1.324086
  H      -8.563456     -0.304174      0.626744
  H      -9.092573     -1.897990      2.444739
  H      -2.472092     -1.939088      5.438974
  H      -4.631057      0.274350      2.324692
  H      -9.092958      9.866573      0.262446
  H      -7.768083     10.216329     -0.857637
  H      -9.130509      9.167096     -1.383458
  H      -7.169846     10.424504      1.531806
  H      -5.478453     10.525422      3.359198
  H      -4.420892      3.808214      3.410632
  H      -6.005068      6.359649      0.715311
  H     -12.308392      2.298638     -0.627022
  H     -10.910722      3.373300     -0.930455
  H     -12.040171      3.771295      0.370285
  H      -9.689867      4.683009      0.575118
  H      -7.938379      5.694912      2.016022
  H      -6.560270      1.596131      6.951046
  H      -9.509775      1.080493      2.943337
  N      -2.961603      1.999526      3.083479
  N      -3.153182      2.604005      1.826405
  H      -3.930935      2.098110      1.274123
  H      -2.281008      2.544510      1.278591
  H      -3.446221      3.649361      1.877650
91
Coordinates from ORCA-job orca E -6725.225252761686
  N      -1.866044      0.111390      5.257248
  Mo     -3.194008      1.647599      4.821163
  N      -4.533469      1.590744      6.428717
  C      -4.103096      1.750318      7.819005
  C      -2.595179      1.557615      7.888943
  N      -1.896451      2.204615      6.736753
  C      -0.543040      1.604290      6.540744
  C      -0.665589      0.158967      6.066748
  C      -1.753999      3.685370      6.883399
  C      -2.966677      4.420312      6.344616
  N      -3.392559      3.751468      5.124882
  H       0.223940     -0.102789      5.472517
  H      -0.734134     -0.560178      6.897710
  H      -0.049453      2.198569      5.761452
  H       0.054790      1.682739      7.463447
  H      -3.800035      4.416729      7.064833
  H      -2.718390      5.473135      6.143556
  H      -1.554594      3.942727      7.935441
  H      -0.876986      3.977029      6.291121
  H      -4.588225      1.001464      8.466851
  H      -4.391778      2.742731      8.201295
  H      -2.369778      0.485261      7.844430
  H      -2.187850      1.947517      8.835838
  C      -7.172177      1.353520     -0.808260
  C      -6.195233      1.079585      0.298109
  O      -5.112407      1.692885      0.306092
  C      -6.543221      0.099445      1.349429
  C      -7.802883     -0.530541      1.387757
  C      -8.116786     -1.422066      2.405331
  C      -7.166004     -1.703066      3.382087
  F      -7.504740     -2.543855      4.363755
  C      -5.888378     -1.108301      3.372239
  C      -4.835572     -1.487354      4.347485
  O      -4.789913     -2.579489      4.901108
  N      -3.824471     -0.522949      4.542282
  C      -2.688601     -0.912329      5.116452
  C      -5.610467     -0.203595      2.348439
  C      -8.481158      9.508091     -0.511983
  C      -7.804429      8.256773     -0.007929
  O      -8.118383      7.146144     -0.431178
  C      -6.723520      8.393563      1.018434
  C      -6.490203      9.585028      1.725731
  C      -5.523945      9.632949      2.726331
  C      -4.795672      8.485402      3.027433
  F      -3.862983      8.574718      3.994693
  C      -4.980635      7.281154      2.327641
  C      -4.295850      5.996412      2.633561
  O      -4.046290      5.201962      1.685736
  N      -4.024037      5.729765      3.949744
  C      -3.972368      4.424189      4.146597
  C      -5.941570      7.272213      1.311318
  C     -11.500437      2.903795     -0.196384
  C     -10.672807      2.073334      0.753284
  O     -10.783754      0.849402      0.794269
  C      -9.693107      2.771050      1.643505
  C      -9.287049      4.099644      1.424262
  C      -8.332362      4.685067      2.247996
  C      -7.780097      3.935412      3.282508
  F      -6.899187      4.557995      4.096149
  C      -8.140134      2.602639      3.530433
  C      -7.568887      1.742923      4.620489
  O      -8.260937      0.864859      5.140271
  N      -6.220525      1.937027      4.911202
  C      -5.836950      1.680249      6.139263
  C      -9.127720      2.055672      2.705605
  H      -8.079919      1.814163     -0.387363
  H      -6.722295      2.040297     -1.531846
  H      -7.484798      0.425814     -1.308131
  H      -8.566907     -0.300535      0.646121
  H      -9.098759     -1.890355      2.466667
  H      -2.453614     -1.939716      5.430531
  H      -4.625985      0.257204      2.330260
  H      -9.049240      9.987158      0.300804
  H      -7.743270     10.243495     -0.865359
  H      -9.168250      9.247338     -1.323598
  H      -7.070966     10.481751      1.508888
  H      -5.324065     10.546550      3.286560
  H      -4.490080      3.779831      3.431889
  H      -6.105856      6.352201      0.749676
  H     -12.227338      2.259897     -0.702288
  H     -10.854579      3.379101     -0.951705
  H     -12.019670      3.714794      0.335166
  H      -9.706007      4.685833      0.606116
  H      -8.011384      5.716453      2.102802
  H      -6.566940      1.571526      6.959281
  H      -9.459305      1.035339      2.894822
  N      -2.982139      2.000355      3.087062
  N      -3.170181      2.611399      1.834307
  H      -3.971555      2.134281      1.289147
  H      -2.306592      2.524822      1.277130
  H      -3.427446      3.672468      1.888171
91
Coordinates from ORCA-job orca E -6725.225337760989
  N      -1.846648      0.134468      5.264458
  Mo     -3.194150      1.652762      4.821709
  N      -4.545453      1.573345      6.418936
  C      -4.125298      1.745289      7.811242
  C      -2.616144      1.570531      7.891104
  N      -1.917109      2.226469      6.744088
  C      -0.554189      1.643070      6.559107
  C      -0.654524      0.196329      6.085124
  C      -1.792589      3.708535      6.891107
  C      -3.010908      4.430374      6.345829
  N      -3.428449      3.755848      5.125945
  H       0.244030     -0.055012      5.500077
  H      -0.722929     -0.522902      6.915950
  H      -0.062033      2.243795      5.783892
  H       0.034905      1.729165      7.486766
  H      -3.846794      4.420520      7.063075
  H      -2.770268      5.484831      6.144323
  H      -1.601548      3.967977      7.944257
  H      -0.916203      4.010265      6.303091
  H      -4.605753      0.994615      8.460409
  H      -4.427528      2.736385      8.186137
  H      -2.378409      0.500958      7.845888
  H      -2.219878      1.963577      8.841423
  C      -7.195307      1.322704     -0.810058
  C      -6.201331      1.052757      0.281066
  O      -5.139140      1.700787      0.295137
  C      -6.517612      0.050191      1.320431
  C      -7.760191     -0.612989      1.352024
  C      -8.053374     -1.516785      2.364383
  C      -7.099380     -1.774888      3.343896
  F      -7.418890     -2.627510      4.321658
  C      -5.837100     -1.148954      3.340594
  C      -4.780534     -1.507742      4.320898
  O      -4.715799     -2.602263      4.867861
  N      -3.786944     -0.527534      4.525930
  C      -2.652407     -0.901310      5.111849
  C      -5.577833     -0.235338      2.318830
  C      -8.339636      9.655023     -0.565601
  C      -7.689851      8.383362     -0.078315
  O      -8.046844      7.283185     -0.495091
  C      -6.631915      8.481021      0.976011
  C      -6.385947      9.658502      1.701969
  C      -5.439786      9.673420      2.722867
  C      -4.746904      8.504901      3.026549
  F      -3.831722      8.556846      4.012989
  C      -4.949782      7.312460      2.313616
  C      -4.301131      6.011139      2.623409
  O      -4.063728      5.215282      1.672915
  N      -4.047953      5.730748      3.938014
  C      -4.001369      4.425601      4.139289
  C      -5.887056      7.335919      1.276150
  C     -11.630329      2.853414     -0.103859
  C     -10.780297      2.020316      0.823369
  O     -10.878802      0.794751      0.851126
  C      -9.783517      2.716811      1.694969
  C      -9.402057      4.053885      1.484172
  C      -8.438874      4.643073      2.294815
  C      -7.849333      3.887959      3.304164
  F      -6.956373      4.513299      4.103434
  C      -8.183451      2.546449      3.542030
  C      -7.582597      1.683094      4.613499
  O      -8.251401      0.782572      5.125082
  N      -6.236321      1.899599      4.896918
  C      -5.848549      1.644235      6.124447
  C      -9.182976      1.996107      2.734006
  H      -8.108912      1.754453     -0.372207
  H      -6.769308      2.033730     -1.524877
  H      -7.491997      0.397018     -1.323268
  H      -8.528734     -0.398577      0.610372
  H      -9.023204     -2.010523      2.421503
  H      -2.410257     -1.926873      5.426376
  H      -4.605462      0.251524      2.304806
  H      -8.898007     10.136858      0.252516
  H      -7.585197     10.377838     -0.908959
  H      -9.031643      9.419688     -1.380839
  H      -6.939750     10.571305      1.481282
  H      -5.229227     10.576781      3.295580
  H      -4.519807      3.778069      3.426108
  H      -6.057326      6.426185      0.698795
  H     -12.361639      2.208988     -0.602497
  H     -11.001456      3.340617     -0.866078
  H     -12.145683      3.655404      0.444935
  H      -9.847960      4.645139      0.684123
  H      -8.140495      5.681186      2.156601
  H      -6.578829      1.522913      6.942302
  H      -9.498291      0.970283      2.920576
  N      -2.971699      2.013244      3.091544
  N      -3.151623      2.629663      1.843543
  H      -3.946808      2.150523      1.288286
  H      -2.281895      2.554018      1.294519
  H      -3.418177      3.693662      1.900677
91
Coordinates from ORCA-job orca E -6725.225591436977
  N      -1.839135      0.147338      5.223062
  Mo     -3.218878      1.649211      4.821842
  N      -4.540972      1.537725      6.441449
  C      -4.100142      1.708892      7.826589
  C      -2.587612      1.552857      7.879191
  N      -1.916164      2.225610      6.724664
  C      -0.549045      1.660791      6.514284
  C      -0.637433      0.217230      6.029145
  C      -1.806284      3.707823      6.881226
  C      -3.042824      4.420761      6.366473
  N      -3.483142      3.747305      5.155210
  H       0.256339     -0.017911      5.430363
  H      -0.685906     -0.509557      6.854885
  H      -0.076038      2.273411      5.736344
  H       0.052398      1.747621      7.433862
  H      -3.862558      4.400712      7.102042
  H      -2.815225      5.477918      6.163308
  H      -1.597105      3.960705      7.932521
  H      -0.945221      4.024391      6.278728
  H      -4.560181      0.950291      8.481452
  H      -4.407595      2.695198      8.210074
  H      -2.336984      0.486692      7.822534
  H      -2.180275      1.944344      8.825425
  C      -7.229005      1.292383     -0.804741
  C      -6.222416      1.024475      0.275167
  O      -5.152419      1.659227      0.266345
  C      -6.536432      0.037201      1.330507
  C      -7.785783     -0.611279      1.386553
  C      -8.074189     -1.503792      2.410454
  C      -7.108950     -1.765106      3.377536
  F      -7.423642     -2.605705      4.367694
  C      -5.840360     -1.153012      3.350855
  C      -4.772935     -1.515637      4.317615
  O      -4.703573     -2.608003      4.868311
  N      -3.782505     -0.530689      4.513506
  C      -2.634026     -0.896033      5.079727
  C      -5.585541     -0.249797      2.318099
  C      -8.322093      9.627038     -0.616343
  C      -7.688098      8.356556     -0.105810
  O      -8.037881      7.254750     -0.524065
  C      -6.642592      8.459050      0.960559
  C      -6.400965      9.641466      1.681132
  C      -5.469303      9.659398      2.714990
  C      -4.786903      8.490070      3.038042
  F      -3.884637      8.546250      4.036469
  C      -4.984273      7.293367      2.330022
  C      -4.347293      5.991049      2.657539
  O      -4.102729      5.186710      1.713126
  N      -4.099298      5.720685      3.972727
  C      -4.069372      4.414444      4.176827
  C      -5.906425      7.313636      1.278661
  C     -11.507376      2.910475     -0.163207
  C     -10.679673      2.066606      0.774788
  O     -10.771346      0.840424      0.778141
  C      -9.713890      2.753766      1.687840
  C      -9.336535      4.096856      1.512861
  C      -8.400012      4.677156      2.360155
  C      -7.832216      3.906882      3.370413
  F      -6.961241      4.521236      4.202910
  C      -8.165209      2.560027      3.575956
  C      -7.582379      1.680761      4.643916
  O      -8.262485      0.780469      5.141277
  N      -6.236618      1.885741      4.936932
  C      -5.846382      1.612720      6.160238
  C      -9.138213      2.018015      2.730728
  H      -8.127235      1.748287     -0.359829
  H      -6.802061      1.984028     -1.538024
  H      -7.550638      0.363713     -1.296710
  H      -8.562653     -0.394946      0.654124
  H      -9.048597     -1.986071      2.485291
  H      -2.377159     -1.920623      5.385772
  H      -4.607831      0.225455      2.284921
  H      -8.891609     10.119573      0.187549
  H      -7.557938     10.342563     -0.953652
  H      -9.001218      9.387668     -1.441189
  H      -6.946686     10.555435      1.446004
  H      -5.261797     10.565958      3.283845
  H      -4.600672      3.766479      3.474120
  H      -6.072729      6.400701      0.705491
  H     -12.218425      2.270173     -0.695225
  H     -10.859784      3.415910     -0.897358
  H     -12.045069      3.698933      0.383743
  H      -9.764785      4.699603      0.711660
  H      -8.104116      5.719874      2.250831
  H      -6.572254      1.485142      6.981017
  H      -9.449642      0.986203      2.888628
  N      -3.037010      2.034777      3.092980
  N      -3.252701      2.665348      1.858282
  H      -4.028152      2.158303      1.303809
  H      -2.385271      2.637990      1.300782
  H      -3.572369      3.718730      1.931112
91
Coordinates from ORCA-job orca E -6725.224253180202
  N      -1.855938      0.095450      5.265697
  Mo     -3.206109      1.614082      4.826662
  N      -4.537215      1.560563      6.440551
  C      -4.095391      1.773741      7.820386
  C      -2.586355      1.587968      7.882248
  N      -1.895861      2.213101      6.711597
  C      -0.539849      1.612499      6.523036
  C      -0.658235      0.158841      6.078984
  C      -1.752553      3.696833      6.825788
  C      -2.974825      4.421468      6.297279
  N      -3.435811      3.725503      5.106614
  H       0.235176     -0.114400      5.495749
  H      -0.730966     -0.542497      6.924692
  H      -0.051597      2.193486      5.730622
  H       0.060624      1.711692      7.441936
  H      -3.790528      4.436357      7.037353
  H      -2.725471      5.467605      6.066489
  H      -1.532234      3.974172      7.868513
  H      -0.888547      3.976494      6.209317
  H      -4.572549      1.050073      8.502060
  H      -4.382007      2.780231      8.165273
  H      -2.358905      0.515147      7.855086
  H      -2.173566      1.997261      8.818500
  C      -7.188553      1.278854     -0.799729
  C      -6.197981      1.010725      0.296882
  O      -5.102406      1.601139      0.271877
  C      -6.546139      0.056641      1.372440
  C      -7.819749     -0.541822      1.444853
  C      -8.134612     -1.409230      2.482579
  C      -7.171564     -1.699294      3.444468
  F      -7.512090     -2.513427      4.447581
  C      -5.879704     -1.138987      3.400159
  C      -4.813279     -1.530226      4.358296
  O      -4.774050     -2.618244      4.920093
  N      -3.804749     -0.563556      4.548011
  C      -2.663071     -0.939669      5.123226
  C      -5.601104     -0.254341      2.358141
  C      -8.560860      9.470518     -0.507768
  C      -7.881711      8.221252     -0.002567
  O      -8.166679      7.112937     -0.451309
  C      -6.808492      8.359798      1.032806
  C      -6.603281      9.541550      1.763663
  C      -5.646380      9.590893      2.773355
  C      -4.897943      8.452446      3.058218
  F      -3.972860      8.540885      4.032474
  C      -5.053322      7.258363      2.332997
  C      -4.346245      5.981235      2.620527
  O      -4.066922      5.219357      1.650416
  N      -4.056689      5.690503      3.920455
  C      -4.016000      4.386022      4.116062
  C      -6.007159      7.247916      1.309738
  C     -11.335837      3.107746     -0.279832
  C     -10.554192      2.231649      0.667739
  O     -10.692805      1.009498      0.667273
  C      -9.589589      2.879934      1.609711
  C      -9.164361      4.212411      1.457051
  C      -8.229995      4.754262      2.333354
  C      -7.715893      3.955932      3.350379
  F      -6.847764      4.532261      4.212710
  C      -8.094811      2.618438      3.530907
  C      -7.550990      1.710796      4.595942
  O      -8.273043      0.858130      5.116474
  N      -6.210051      1.896033      4.915495
  C      -5.839559      1.650299      6.149820
  C      -9.063130      2.115504      2.657846
  H      -8.071455      1.787217     -0.380585
  H      -6.730231      1.921800     -1.557429
  H      -7.546216      0.346141     -1.257950
  H      -8.592417     -0.303828      0.714563
  H      -9.126164     -1.852138      2.571587
  H      -2.426615     -1.965333      5.441806
  H      -4.606068      0.181532      2.312311
  H      -9.148225      9.936887      0.298515
  H      -7.823034     10.215960     -0.840480
  H      -9.230622      9.211163     -1.334104
  H      -7.200565     10.430033      1.558006
  H      -5.469895     10.498140      3.351370
  H      -4.561935      3.737416      3.423009
  H      -6.149739      6.334650      0.732404
  H     -12.056354      2.493713     -0.830113
  H     -10.657530      3.596700     -0.996800
  H     -11.859859      3.908963      0.261673
  H      -9.550683      4.835359      0.650253
  H      -7.894542      5.787597      2.241693
  H      -6.575212      1.553983      6.966385
  H      -9.407147      1.090484      2.794926
  N      -3.012491      1.939201      3.088822
  N      -3.199243      2.519408      1.827817
  H      -3.983340      2.010411      1.289717
  H      -2.328474      2.443048      1.279895
  H      -3.493218      3.589098      1.842571
91
Coordinates from ORCA-job orca E -6725.225898745020
  N      -1.848815      0.119012      5.245767
  Mo     -3.208247      1.635652      4.822748
  N      -4.544632      1.558008      6.434368
  C      -4.107175      1.741829      7.819427
  C      -2.597743      1.562836      7.882316
  N      -1.908034      2.213404      6.725806
  C      -0.547003      1.627308      6.530582
  C      -0.652755      0.180115      6.061562
  C      -1.776949      3.695596      6.867540
  C      -3.000726      4.421548      6.341251
  N      -3.450698      3.741988      5.135841
  H       0.243188     -0.075871      5.474422
  H      -0.720494     -0.536002      6.895157
  H      -0.061608      2.226719      5.750230
  H       0.049783      1.714932      7.453157
  H      -3.821823      4.423101      7.075546
  H      -2.754519      5.472304      6.127979
  H      -1.568896      3.956660      7.917107
  H      -0.908690      3.993290      6.265560
  H      -4.582004      0.999967      8.482835
  H      -4.400084      2.738380      8.187216
  H      -2.363753      0.492153      7.836966
  H      -2.189581      1.956975      8.827154
  C      -7.170862      1.277203     -0.825237
  C      -6.195757      1.029001      0.288540
  O      -5.123358      1.659640      0.298153
  C      -6.532287      0.050574      1.345206
  C      -7.787817     -0.587846      1.391446
  C      -8.092199     -1.474166      2.416492
  C      -7.136205     -1.742650      3.391872
  F      -7.464068     -2.578158      4.381587
  C      -5.861760     -1.142862      3.370713
  C      -4.799664     -1.512447      4.340523
  O      -4.738444     -2.607100      4.887318
  N      -3.795642     -0.540737      4.525849
  C      -2.656637     -0.916424      5.101618
  C      -5.592759     -0.243423      2.340059
  C      -8.450632      9.544877     -0.539431
  C      -7.791068      8.286413     -0.030637
  O      -8.111758      7.179536     -0.458345
  C      -6.712117      8.412287      0.999885
  C      -6.468473      9.601266      1.706988
  C      -5.503781      9.641200      2.709632
  C      -4.787534      8.486570      3.012014
  F      -3.855645      8.564845      3.980792
  C      -4.983332      7.283531      2.313224
  C      -4.311275      5.993261      2.624629
  O      -4.086715      5.190483      1.672563
  N      -4.047098      5.717000      3.935727
  C      -4.014172      4.413240      4.145416
  C      -5.943394      7.282272      1.295866
  C     -11.476299      2.977509     -0.199196
  C     -10.653962      2.127986      0.737783
  O     -10.759005      0.902301      0.745014
  C      -9.690629      2.806821      1.659303
  C      -9.309141      4.150651      1.495593
  C      -8.380007      4.724242      2.356999
  C      -7.825316      3.945932      3.368271
  F      -6.971192      4.555107      4.220841
  C      -8.156496      2.596747      3.556988
  C      -7.578448      1.709886      4.622533
  O      -8.264322      0.815323      5.121359
  N      -6.232416      1.908929      4.918474
  C      -5.848131      1.646258      6.145987
  C      -9.123394      2.062495      2.700069
  H      -8.076817      1.751172     -0.415706
  H      -6.718770      1.944797     -1.565012
  H      -7.486603      0.338884     -1.302542
  H      -8.556562     -0.366240      0.651790
  H      -9.071096     -1.947798      2.486179
  H      -2.420241     -1.942684      5.418293
  H      -4.608731      0.218308      2.311038
  H      -9.019514     10.030114      0.269139
  H      -7.701830     10.272087     -0.886879
  H      -9.134919      9.291820     -1.355804
  H      -7.040793     10.502977      1.488215
  H      -5.297877     10.554230      3.268490
  H      -4.552678      3.769016      3.444059
  H      -6.117090      6.363884      0.735780
  H     -12.189910      2.340876     -0.732522
  H     -10.823569      3.479261     -0.931089
  H     -12.011917      3.768068      0.346584
  H      -9.727642      4.759408      0.693998
  H      -8.083971      5.767937      2.256810
  H      -6.578886      1.532477      6.964534
  H      -9.437362      1.030115      2.848195
  N      -3.003423      1.997838      3.092076
  N      -3.186478      2.616555      1.846709
  H      -3.964401      2.125704      1.283505
  H      -2.312304      2.560052      1.302062
  H      -3.477744      3.682067      1.896185
91
Coordinates from ORCA-job orca E -6725.225744730805
  N      -1.825361      0.145397      5.231827
  Mo     -3.224886      1.630023      4.824182
  N      -4.545092      1.509749      6.445039
  C      -4.103340      1.705889      7.826767
  C      -2.589793      1.564268      7.878608
  N      -1.925007      2.233231      6.717103
  C      -0.552481      1.678695      6.512895
  C      -0.628361      0.230430      6.043214
  C      -1.826065      3.717445      6.859353
  C      -3.070933      4.416801      6.347496
  N      -3.518808      3.728827      5.147183
  H       0.270294     -0.005904      5.452302
  H      -0.677385     -0.487292      6.876765
  H      -0.085097      2.288158      5.729139
  H       0.047397      1.780284      7.431952
  H      -3.884199      4.399361      7.090180
  H      -2.850603      5.473003      6.132066
  H      -1.611227      3.981397      7.906851
  H      -0.971955      4.034788      6.247392
  H      -4.556013      0.954731      8.495256
  H      -4.417682      2.695866      8.194661
  H      -2.330152      0.499863      7.829684
  H      -2.184641      1.966908      8.821096
  C      -7.241956      1.245043     -0.793515
  C      -6.226383      0.981398      0.278147
  O      -5.166666      1.633450      0.271503
  C      -6.528068     -0.007394      1.335159
  C      -7.774499     -0.660770      1.399152
  C      -8.053806     -1.550512      2.427585
  C      -7.082420     -1.804924      3.390333
  F      -7.390498     -2.639933      4.386872
  C      -5.815299     -1.190532      3.354156
  C      -4.739993     -1.547104      4.316007
  O      -4.662135     -2.639705      4.865187
  N      -3.756955     -0.555150      4.512108
  C      -2.605524     -0.907420      5.084562
  C      -5.569671     -0.289372      2.317209
  C      -8.360639      9.634192     -0.612086
  C      -7.735369      8.356254     -0.109655
  O      -8.119162      7.257976     -0.506810
  C      -6.681720      8.446678      0.949859
  C      -6.413487      9.629859      1.659549
  C      -5.472483      9.640079      2.685297
  C      -4.807356      8.461557      3.010317
  F      -3.895032      8.506939      4.000405
  C      -5.032148      7.263452      2.313728
  C      -4.413416      5.954176      2.646856
  O      -4.166684      5.149941      1.702263
  N      -4.147597      5.691230      3.958510
  C      -4.105875      4.386185      4.164982
  C      -5.964308      7.290099      1.271521
  C     -11.427548      3.037202     -0.194647
  C     -10.619492      2.167667      0.736865
  O     -10.715450      0.941850      0.707629
  C      -9.668678      2.828333      1.684186
  C      -9.292483      4.177179      1.556278
  C      -8.375823      4.735642      2.439801
  C      -7.824239      3.936955      3.436469
  F      -6.971840      4.528127      4.304661
  C      -8.153693      2.582408      3.592476
  C      -7.584121      1.675668      4.644525
  O      -8.270494      0.766421      5.115400
  N      -6.237893      1.863027      4.941323
  C      -5.850238      1.584028      6.163564
  C      -9.109029      2.062692      2.714446
  H      -8.134026      1.704617     -0.340908
  H      -6.821412      1.932917     -1.534267
  H      -7.571662      0.315096     -1.277325
  H      -8.557090     -0.446627      0.672052
  H      -9.026333     -2.035357      2.510881
  H      -2.344018     -1.929521      5.394917
  H      -4.593526      0.188529      2.276040
  H      -8.907333     10.138829      0.200325
  H      -7.592046     10.336304     -0.966428
  H      -9.058961      9.402218     -1.422891
  H      -6.945253     10.551341      1.421352
  H      -5.245019     10.547753      3.244592
  H      -4.634585      3.733167      3.464279
  H      -6.152854      6.374485      0.708961
  H     -12.128651      2.412005     -0.756876
  H     -10.764889      3.560794     -0.902173
  H     -11.975478      3.811726      0.362047
  H      -9.706451      4.802450      0.764879
  H      -8.083655      5.782652      2.367571
  H      -6.577107      1.460421      6.984035
  H      -9.419101      1.025345      2.836819
  N      -3.042589      2.010248      3.095191
  N      -3.252248      2.633838      1.857518
  H      -4.028967      2.126507      1.300910
  H      -2.383286      2.601142      1.302854
  H      -3.567495      3.692714      1.919563
91
Coordinates from ORCA-job orca E -6725.226292979180
  N      -1.831527      0.129940      5.230996
  Mo     -3.222186      1.624009      4.823817
  N      -4.544001      1.518699      6.445209
  C      -4.099959      1.714747      7.825963
  C      -2.587325      1.560828      7.876880
  N      -1.916691      2.221903      6.714090
  C      -0.547962      1.656591      6.510828
  C      -0.634269      0.207841      6.043427
  C      -1.805934      3.705814      6.854079
  C      -3.045441      4.414532      6.341898
  N      -3.502657      3.727229      5.144284
  H       0.263211     -0.036807      5.454030
  H      -0.689734     -0.507773      6.878434
  H      -0.076512      2.261898      5.726345
  H       0.052666      1.755231      7.429761
  H      -3.857227      4.406933      7.086408
  H      -2.815573      5.467949      6.123006
  H      -1.589083      3.969613      7.901229
  H      -0.949190      4.015727      6.241978
  H      -4.557434      0.968568      8.496827
  H      -4.406106      2.708124      8.191721
  H      -2.336589      0.494113      7.829565
  H      -2.178168      1.961470      8.818519
  C      -7.201207      1.228322     -0.818593
  C      -6.208261      0.984601      0.279473
  O      -5.138412      1.619598      0.271725
  C      -6.531492      0.014261      1.347909
  C      -7.788855     -0.617961      1.416511
  C      -8.082344     -1.496853      2.450798
  C      -7.114290     -1.763279      3.414078
  F      -7.432758     -2.590827      4.413695
  C      -5.838029     -1.168723      3.373112
  C      -4.765666     -1.536611      4.333275
  O      -4.698068     -2.629199      4.883854
  N      -3.770180     -0.555919      4.517916
  C      -2.622599     -0.916727      5.089890
  C      -5.578774     -0.276497      2.332268
  C      -8.439982      9.540459     -0.588031
  C      -7.783861      8.278771     -0.083152
  O      -8.125076      7.172168     -0.495392
  C      -6.719855      8.397606      0.963464
  C      -6.475376      9.587252      1.670675
  C      -5.524488      9.621564      2.686510
  C      -4.824627      8.461101      3.003818
  F      -3.904731      8.533011      3.985043
  C      -5.022965      7.257497      2.307441
  C      -4.366401      5.963708      2.632409
  O      -4.133412      5.157080      1.684875
  N      -4.106512      5.694982      3.944144
  C      -4.075453      4.390215      4.155273
  C      -5.967227      7.261117      1.275315
  C     -11.386219      3.101124     -0.222422
  C     -10.577519      2.221089      0.698388
  O     -10.661644      0.995080      0.643791
  C      -9.641336      2.870630      1.667753
  C      -9.277616      4.225584      1.572378
  C      -8.375951      4.773939      2.477872
  C      -7.827285      3.959203      3.463063
  F      -6.993840      4.540002      4.356271
  C      -8.142767      2.598441      3.585307
  C      -7.571880      1.676379      4.623456
  O      -8.260664      0.768156      5.092592
  N      -6.229243      1.871483      4.933527
  C      -5.848283      1.599927      6.159642
  C      -9.084046      2.088434      2.686506
  H      -8.096016      1.711645     -0.396319
  H      -6.758401      1.888172     -1.571361
  H      -7.532693      0.288469     -1.281521
  H      -8.567511     -0.396200      0.687271
  H      -9.062235     -1.965989      2.536891
  H      -2.373636     -1.940363      5.405471
  H      -4.593758      0.182290      2.286896
  H      -9.003058     10.029071      0.222761
  H      -7.688986     10.263479     -0.938709
  H      -9.128783      9.290800     -1.401707
  H      -7.034538     10.494141      1.439764
  H      -5.316476     10.534703      3.244477
  H      -4.611110      3.741164      3.455953
  H      -6.140293      6.341839      0.715043
  H     -12.075559      2.479995     -0.803528
  H     -10.722007      3.645263     -0.912714
  H     -11.947831      3.858632      0.343842
  H      -9.689648      4.863432      0.790081
  H      -8.094668      5.825501      2.432478
  H      -6.579153      1.479382      6.977009
  H      -9.384887      1.045892      2.783267
  N      -3.037936      1.996687      3.093859
  N      -3.238578      2.618421      1.854173
  H      -4.008960      2.110801      1.294284
  H      -2.366098      2.584259      1.304860
  H      -3.555891      3.679553      1.908862
91
Coordinates from ORCA-job orca E -6725.226325759701
  N      -1.832010      0.127133      5.226920
  Mo     -3.228691      1.617740      4.822050
  N      -4.545821      1.515264      6.448807
  C      -4.096171      1.711546      7.827882
  C      -2.583339      1.558756      7.872623
  N      -1.918626      2.221179      6.707362
  C      -0.548463      1.659999      6.499715
  C      -0.631929      0.210134      6.035146
  C      -1.812616      3.705674      6.846594
  C      -3.055939      4.410991      6.337789
  N      -3.516388      3.721815      5.142187
  H       0.264252     -0.032877      5.443018
  H      -0.682409     -0.504096      6.871610
  H      -0.082363      2.266278      5.712907
  H       0.055220      1.761755      7.416276
  H      -3.864917      4.402359      7.085309
  H      -2.828880      5.464587      6.117276
  H      -1.594614      3.970480      7.893243
  H      -0.958114      4.018443      6.232740
  H      -4.550352      0.965326      8.500932
  H      -4.400919      2.704886      8.194934
  H      -2.331726      0.492220      7.823769
  H      -2.170599      1.959633      8.812592
  C      -7.204090      1.172507     -0.821540
  C      -6.226511      0.961787      0.297345
  O      -5.171307      1.621212      0.305236
  C      -6.543169     -0.013168      1.363463
  C      -7.793505     -0.660372      1.426404
  C      -8.081619     -1.540447      2.461448
  C      -7.113982     -1.794784      3.428950
  F      -7.425789     -2.625281      4.428345
  C      -5.843922     -1.187292      3.390513
  C      -4.769175     -1.544597      4.351497
  O      -4.690981     -2.638146      4.898429
  N      -3.772572     -0.563430      4.523117
  C      -2.624672     -0.921219      5.093396
  C      -5.590985     -0.293379      2.350518
  C      -8.491193      9.536005     -0.556472
  C      -7.846418      8.272703     -0.040876
  O      -8.179879      7.167431     -0.462893
  C      -6.760199      8.391899      0.982871
  C      -6.496648      9.583315      1.679124
  C      -5.526810      9.618357      2.677047
  C      -4.825357      8.456467      2.985049
  F      -3.887133      8.527599      3.948718
  C      -5.040914      7.250930      2.296920
  C      -4.384378      5.955763      2.618890
  O      -4.146224      5.152911      1.668418
  N      -4.120886      5.688208      3.930351
  C      -4.083068      4.385242      4.149620
  C      -6.005586      7.253670      1.284085
  C     -11.316946      3.162984     -0.262082
  C     -10.529465      2.275714      0.669853
  O     -10.638451      1.050917      0.626681
  C      -9.598813      2.915575      1.650632
  C      -9.217085      4.265932      1.558710
  C      -8.324985      4.805554      2.479407
  C      -7.803318      3.985894      3.475056
  F      -6.985511      4.558359      4.387353
  C      -8.131747      2.627923      3.589654
  C      -7.578840      1.701286      4.634027
  O      -8.276912      0.795867      5.094091
  N      -6.233172      1.877602      4.941938
  C      -5.850796      1.603303      6.166997
  C      -9.065708      2.127979      2.677791
  H      -8.117963      1.638034     -0.420094
  H      -6.763281      1.835174     -1.572636
  H      -7.505357      0.221302     -1.281815
  H      -8.571585     -0.446633      0.693913
  H      -9.056297     -2.020461      2.545175
  H      -2.378013     -1.943697      5.414509
  H      -4.609815      0.173495      2.306197
  H      -9.051613     10.033873      0.250252
  H      -7.734340     10.251372     -0.911097
  H      -9.180882      9.286068     -1.369260
  H      -7.057306     10.491085      1.455416
  H      -5.305916     10.533191      3.227139
  H      -4.623285      3.735587      3.454856
  H      -6.195380      6.332826      0.733382
  H     -12.010953      2.549185     -0.845652
  H     -10.637885      3.692210     -0.949247
  H     -11.871704      3.932444      0.294668
  H      -9.607727      4.907203      0.768487
  H      -8.031742      5.853842      2.436261
  H      -6.580371      1.488362      6.986381
  H      -9.379470      1.089138      2.770529
  N      -3.046350      1.989051      3.091553
  N      -3.241425      2.613213      1.851701
  H      -4.016735      2.115059      1.290809
  H      -2.369438      2.569710      1.302347
  H      -3.546628      3.679769      1.903566
91
Coordinates from ORCA-job orca E -6725.226646677819
  N      -1.827849      0.130387      5.224540
  Mo     -3.234105      1.614009      4.823795
  N      -4.546715      1.501614      6.453307
  C      -4.095813      1.705986      7.830656
  C      -2.582075      1.562105      7.872116
  N      -1.923098      2.225503      6.703758
  C      -0.550827      1.669446      6.495235
  C      -0.628975      0.218417      6.033897
  C      -1.822257      3.710672      6.839391
  C      -3.070309      4.410544      6.335295
  N      -3.534862      3.717542      5.143624
  H       0.268527     -0.023094      5.443214
  H      -0.677877     -0.494019      6.871996
  H      -0.088418      2.275637      5.706165
  H       0.053779      1.776111      7.410611
  H      -3.875299      4.400067      7.087065
  H      -2.848110      5.464523      6.111660
  H      -1.599661      3.978175      7.884400
  H      -0.972128      4.024993      6.220298
  H      -4.543759      0.959859      8.508043
  H      -4.405774      2.698930      8.194442
  H      -2.325031      0.496834      7.824258
  H      -2.169283      1.966778      8.810417
  C      -7.185298      1.146634     -0.845492
  C      -6.209349      0.942624      0.275659
  O      -5.153380      1.600882      0.279624
  C      -6.531525     -0.019900      1.351559
  C      -7.787981     -0.653890      1.423595
  C      -8.080807     -1.523851      2.465756
  C      -7.111835     -1.781767      3.430931
  F      -7.428806     -2.602241      4.436864
  C      -5.836058     -1.186965      3.384733
  C      -4.760182     -1.548913      4.343702
  O      -4.686671     -2.640774      4.894745
  N      -3.764650     -0.566993      4.518216
  C      -2.613831     -0.921133      5.088767
  C      -5.578645     -0.301591      2.337954
  C      -8.490241      9.512206     -0.580693
  C      -7.838889      8.251801     -0.066489
  O      -8.178424      7.144006     -0.476910
  C      -6.758975      8.375234      0.963416
  C      -6.500249      9.569642      1.656664
  C      -5.535764      9.609634      2.659673
  C      -4.835534      8.449451      2.976563
  F      -3.901971      8.524862      3.944496
  C      -5.047217      7.241031      2.292545
  C      -4.391866      5.947895      2.622726
  O      -4.147929      5.142840      1.675694
  N      -4.134545      5.682060      3.934428
  C      -4.103136      4.377903      4.151310
  C      -6.005904      7.238451      1.273967
  C     -11.296921      3.223713     -0.249437
  C     -10.506308      2.319896      0.663705
  O     -10.600066      1.095515      0.584903
  C      -9.589602      2.943190      1.667869
  C      -9.227351      4.301167      1.618373
  C      -8.351749      4.827244      2.562468
  C      -7.825144      3.986659      3.537573
  F      -7.022147      4.543722      4.472663
  C      -8.134088      2.620982      3.609381
  C      -7.577371      1.675884      4.634673
  O      -8.269775      0.757198      5.076025
  N      -6.234354      1.856740      4.947791
  C      -5.852095      1.582620      6.172270
  C      -9.052610      2.133393      2.675892
  H      -8.097174      1.619728     -0.449315
  H      -6.741077      1.800332     -1.602702
  H      -7.491893      0.192545     -1.295993
  H      -8.566479     -0.436230      0.692582
  H      -9.059755     -1.993836      2.556499
  H      -2.364536     -1.943230      5.409053
  H      -4.593445      0.156090      2.286895
  H      -9.048350     10.010344      0.227616
  H      -7.737023     10.228793     -0.940181
  H      -9.182899      9.258773     -1.389870
  H      -7.059824     10.476287      1.425674
  H      -5.317914     10.526933      3.206867
  H      -4.642103      3.727805      3.455231
  H      -6.192043      6.314340      0.726308
  H     -11.978030      2.618579     -0.856729
  H     -10.619042      3.781549     -0.914836
  H     -11.866035      3.969595      0.324685
  H      -9.620884      4.959221      0.843504
  H      -8.074553      5.880833      2.554192
  H      -6.581330      1.463133      6.991277
  H      -9.351762      1.087595      2.736572
  N      -3.056385      1.986003      3.093493
  N      -3.252902      2.606143      1.852736
  H      -4.023049      2.098490      1.292145
  H      -2.379217      2.568394      1.305728
  H      -3.568728      3.672114      1.899333
91
Coordinates from ORCA-job orca E -6725.226753333553
  N      -1.818192      0.135579      5.216681
  Mo     -3.243820      1.603740      4.823182
  N      -4.547324      1.476336      6.459311
  C      -4.095026      1.686173      7.834425
  C      -2.579579      1.560595      7.869402
  N      -1.933319      2.230187      6.696916
  C      -0.555776      1.689425      6.484120
  C      -0.619234      0.236944      6.024200
  C      -1.847956      3.716388      6.831692
  C      -3.106217      4.402863      6.334488
  N      -3.570895      3.705795      5.145382
  H       0.279335      0.003603      5.432083
  H      -0.659129     -0.474538      6.863676
  H      -0.102940      2.299332      5.692187
  H       0.050445      1.804766      7.397409
  H      -3.906777      4.384282      7.090874
  H      -2.896623      5.459190      6.109087
  H      -1.622675      3.986050      7.875655
  H      -1.004352      4.040029      6.208525
  H      -4.530749      0.934858      8.514217
  H      -4.415963      2.675316      8.199467
  H      -2.310301      0.498475      7.821882
  H      -2.167170      1.971068      8.805345
  C      -7.187566      1.103557     -0.847654
  C      -6.209269      0.914224      0.273021
  O      -5.156267      1.576791      0.269797
  C      -6.527157     -0.040011      1.357545
  C      -7.786471     -0.666310      1.442924
  C      -8.076348     -1.528623      2.492021
  C      -7.102088     -1.786462      3.451302
  F      -7.417234     -2.597536      4.465656
  C      -5.823291     -1.199860      3.392274
  C      -4.744570     -1.560549      4.348545
  O      -4.671414     -2.649029      4.906729
  N      -3.750379     -0.576480      4.517894
  C      -2.597392     -0.921578      5.089395
  C      -5.567540     -0.322021      2.337826
  C      -8.525819      9.493314     -0.579957
  C      -7.862004      8.232915     -0.082096
  O      -8.225559      7.124192     -0.468820
  C      -6.777266      8.355655      0.942366
  C      -6.506613      9.553834      1.626174
  C      -5.537089      9.593259      2.623993
  C      -4.845675      8.429705      2.947562
  F      -3.906879      8.504933      3.911030
  C      -5.069965      7.217847      2.274285
  C      -4.420941      5.923450      2.611166
  O      -4.197899      5.104824      1.669887
  N      -4.172500      5.664904      3.925772
  C      -4.139437      4.361038      4.149756
  C      -6.032049      7.215455      1.258828
  C     -11.220685      3.336743     -0.267793
  C     -10.454136      2.404169      0.636840
  O     -10.539669      1.183035      0.511363
  C      -9.550037      2.996121      1.670930
  C      -9.190581      4.354966      1.667771
  C      -8.329848      4.854191      2.639119
  C      -7.812501      3.986130      3.594733
  F      -7.017920      4.514025      4.554785
  C      -8.120044      2.618468      3.620887
  C      -7.570277      1.646815      4.623720
  O      -8.273789      0.735975      5.063464
  N      -6.229847      1.823255      4.950030
  C      -5.852953      1.553529      6.176515
  C      -9.024329      2.156566      2.660933
  H      -8.100447      1.576867     -0.453731
  H      -6.746803      1.751982     -1.611533
  H      -7.492059      0.144014     -1.287754
  H      -8.569175     -0.446169      0.717077
  H      -9.057722     -1.991597      2.593423
  H      -2.342376     -1.940836      5.414298
  H      -4.580078      0.129868      2.276941
  H      -9.063970      9.992477      0.241374
  H      -7.781495     10.209077     -0.958243
  H      -9.237908      9.239533     -1.372062
  H      -7.059170     10.463578      1.390799
  H      -5.308451     10.512886      3.162954
  H      -4.671526      3.706374      3.452159
  H      -6.227873      6.289075      0.718312
  H     -11.885080      2.751887     -0.912120
  H     -10.525805      3.916148     -0.896544
  H     -11.804959      4.064060      0.314923
  H      -9.573564      5.034902      0.906427
  H      -8.055328      5.907596      2.667055
  H      -6.584162      1.433652      6.993477
  H      -9.320459      1.108510      2.685468
  N      -3.073264      1.982594      3.093893
  N      -3.274872      2.606749      1.856669
  H      -4.036975      2.091169      1.292539
  H      -2.399894      2.583040      1.310826
  H      -3.604649      3.669087      1.909751
91
Coordinates from ORCA-job orca E -6725.227063042489
  N      -1.821466      0.133664      5.218389
  Mo     -3.251278      1.598998      4.824585
  N      -4.547847      1.471498      6.466735
  C      -4.091088      1.690528      7.839308
  C      -2.575359      1.568437      7.868520
  N      -1.935555      2.234103      6.690194
  C      -0.557715      1.694457      6.474575
  C      -0.620973      0.239616      6.023038
  C      -1.852575      3.721124      6.817434
  C      -3.115075      4.403101      6.324723
  N      -3.584080      3.702111      5.139467
  H       0.276657      0.004127      5.430265
  H      -0.658347     -0.467472      6.866248
  H      -0.109364      2.301057      5.677676
  H       0.052244      1.815519      7.384565
  H      -3.911416      4.383658      7.085437
  H      -2.909377      5.459354      6.096098
  H      -1.621678      3.995973      7.858774
  H      -1.013452      4.043143      6.187331
  H      -4.522095      0.942180      8.525337
  H      -4.412817      2.680908      8.200159
  H      -2.304586      0.506543      7.823833
  H      -2.159623      1.983758      8.800817
  C      -7.175460      1.065559     -0.868341
  C      -6.201900      0.885057      0.257463
  O      -5.150575      1.550824      0.254821
  C      -6.523314     -0.061259      1.347824
  C      -7.785847     -0.680980      1.436835
  C      -8.079542     -1.534686      2.491941
  C      -7.105861     -1.789976      3.453141
  F      -7.424114     -2.593620      4.472397
  C      -5.824972     -1.208603      3.391282
  C      -4.746954     -1.566325      4.350081
  O      -4.674200     -2.654218      4.909092
  N      -3.752721     -0.582514      4.519550
  C      -2.598619     -0.925434      5.091453
  C      -5.565566     -0.339834      2.330520
  C      -8.543980      9.489047     -0.581086
  C      -7.887492      8.228728     -0.073593
  O      -8.251060      7.119460     -0.459138
  C      -6.795398      8.352187      0.943070
  C      -6.518938      9.551120      1.621925
  C      -5.543646      9.592622      2.614485
  C      -4.851854      8.428881      2.936288
  F      -3.906523      8.503061      3.893263
  C      -5.082487      7.215966      2.267537
  C      -4.433156      5.921898      2.605542
  O      -4.190410      5.111649      1.662700
  N      -4.188509      5.660096      3.919779
  C      -4.152062      4.356441      4.143720
  C      -6.050017      7.211229      1.257832
  C     -11.166139      3.384948     -0.278655
  C     -10.409337      2.442235      0.623367
  O     -10.490652      1.222279      0.481770
  C      -9.525129      3.022830      1.680281
  C      -9.175257      4.384208      1.704943
  C      -8.334443      4.873675      2.698830
  C      -7.825946      3.993359      3.647627
  F      -7.052468      4.510063      4.630233
  C      -8.122941      2.622967      3.644824
  C      -7.577690      1.641836      4.641671
  O      -8.278377      0.721320      5.064232
  N      -6.236488      1.812236      4.964479
  C      -5.854843      1.545373      6.189477
  C      -9.009493      2.170517      2.664661
  H      -8.092167      1.536069     -0.481074
  H      -6.734423      1.711680     -1.633977
  H      -7.475780      0.102768     -1.304302
  H      -8.566270     -0.461574      0.708248
  H      -9.062280     -1.993728      2.596879
  H      -2.343870     -1.944191      5.418089
  H      -4.576311      0.107648      2.266004
  H      -9.080174      9.996773      0.236159
  H      -7.795520     10.198298     -0.963839
  H      -9.256751      9.233548     -1.371978
  H      -7.072094     10.460689      1.386983
  H      -5.311026     10.513571      3.149332
  H      -4.684668      3.702254      3.445900
  H      -6.250048      6.283077      0.721622
  H     -11.816961      2.807273     -0.943144
  H     -10.463929      3.977979     -0.886034
  H     -11.763572      4.099743      0.306213
  H      -9.548259      5.073634      0.947447
  H      -8.068150      5.928480      2.747903
  H      -6.582771      1.427339      7.009764
  H      -9.298356      1.120127      2.666905
  N      -3.084719      1.972355      3.094014
  N      -3.286350      2.590930      1.854470
  H      -4.054154      2.075663      1.294390
  H      -2.412417      2.561767      1.307374
  H      -3.613330      3.655623      1.902123
91
Coordinates from ORCA-job orca E -6725.227161586226
  N      -1.818831      0.133775      5.218992
  Mo     -3.257314      1.592069      4.825991
  N      -4.550577      1.454974      6.471476
  C      -4.094951      1.681826      7.842713
  C      -2.578532      1.571799      7.870608
  N      -1.944358      2.236652      6.688629
  C      -0.564295      1.701928      6.474109
  C      -0.621637      0.245539      6.027629
  C      -1.866854      3.724799      6.809971
  C      -3.133987      4.400224      6.321512
  N      -3.604980      3.695131      5.139458
  H       0.278643      0.011235      5.438282
  H      -0.658585     -0.459179      6.872920
  H      -0.118939      2.307145      5.674474
  H       0.046096      1.829101      7.382995
  H      -3.926619      4.377435      7.086039
  H      -2.934517      5.457253      6.090890
  H      -1.631147      4.004397      7.848967
  H      -1.032175      4.046920      6.174018
  H      -4.518440      0.931982      8.531920
  H      -4.424648      2.670529      8.201105
  H      -2.300157      0.511630      7.829825
  H      -2.164393      1.994087      8.800415
  C      -7.143697      1.049134     -0.890482
  C      -6.185035      0.881321      0.250014
  O      -5.139009      1.555313      0.260633
  C      -6.509032     -0.068423      1.337352
  C      -7.768576     -0.695418      1.417627
  C      -8.064143     -1.550299      2.471176
  C      -7.094804     -1.800756      3.438310
  F      -7.415245     -2.606725      4.454893
  C      -5.815713     -1.214734      3.383311
  C      -4.740485     -1.570664      4.346422
  O      -4.664443     -2.660046      4.901713
  N      -3.746356     -0.586567      4.515632
  C      -2.589372     -0.927135      5.088148
  C      -5.555021     -0.343832      2.324673
  C      -8.567313      9.431765     -0.610293
  C      -7.915129      8.178647     -0.079694
  O      -8.265172      7.064753     -0.464594
  C      -6.817125      8.316543      0.928749
  C      -6.539270      9.523604      1.592697
  C      -5.561618      9.576717      2.582394
  C      -4.867701      8.417402      2.915956
  F      -3.921323      8.504967      3.870697
  C      -5.098260      7.196938      2.260543
  C      -4.450642      5.904549      2.609471
  O      -4.205172      5.089710      1.671146
  N      -4.206118      5.650070      3.924323
  C      -4.175160      4.344189      4.144689
  C      -6.068467      7.180723      1.253109
  C     -11.150626      3.495698     -0.244697
  C     -10.392966      2.529345      0.630616
  O     -10.491321      1.312612      0.470970
  C      -9.510257      3.081429      1.703485
  C      -9.158542      4.441310      1.761338
  C      -8.322471      4.906438      2.771031
  C      -7.821897      4.003827      3.702574
  F      -7.056816      4.495317      4.704177
  C      -8.120194      2.634430      3.665612
  C      -7.585651      1.637259      4.652391
  O      -8.289748      0.711009      5.055088
  N      -6.242413      1.792130      4.971916
  C      -5.858321      1.526890      6.195447
  C      -9.000012      2.204847      2.669871
  H      -8.072596      1.508375     -0.517928
  H      -6.698414      1.698904     -1.650648
  H      -7.427217      0.082273     -1.328803
  H      -8.544362     -0.478907      0.683275
  H      -9.044841     -2.014641      2.570747
  H      -2.331323     -1.944963      5.415221
  H      -4.567127      0.106972      2.265128
  H      -9.107872      9.951238      0.196344
  H      -7.816397     10.135397     -0.999358
  H      -9.275326      9.164932     -1.401680
  H      -7.094030     10.430069      1.349859
  H      -5.328548     10.503546      3.106798
  H      -4.704390      3.688770      3.444700
  H      -6.270518      6.246071      0.728475
  H     -11.804586      2.936696     -0.922088
  H     -10.448572      4.103228     -0.837551
  H     -11.745126      4.196475      0.359807
  H      -9.524495      5.148264      1.016841
  H      -8.054430      5.959463      2.848072
  H      -6.584535      1.412607      7.017904
  H      -9.290982      1.155087      2.646364
  N      -3.082109      1.965962      3.096753
  N      -3.268259      2.574353      1.849897
  H      -4.018527      2.047171      1.278028
  H      -2.384454      2.547402      1.318763
  H      -3.604725      3.638125      1.880806
91
Coordinates from ORCA-job orca E -6725.227589766636
  N      -1.819522      0.130927      5.214064
  Mo     -3.265418      1.583848      4.824931
  N      -4.548079      1.445324      6.478880
  C      -4.087092      1.675407      7.847662
  C      -2.569965      1.571803      7.866931
  N      -1.945744      2.236854      6.679511
  C      -0.564573      1.707765      6.457814
  C      -0.618418      0.249751      6.015771
  C      -1.874607      3.725569      6.797658
  C      -3.148268      4.394040      6.315716
  N      -3.621436      3.687258      5.135306
  H       0.279441      0.017387      5.421998
  H      -0.647830     -0.452581      6.863298
  H      -0.127029      2.312938      5.653851
  H       0.050792      1.840056      7.362590
  H      -3.936807      4.366697      7.084259
  H      -2.955771      5.452193      6.084505
  H      -1.634564      4.008073      7.834887
  H      -1.045156      4.050844      6.156439
  H      -4.503589      0.924381      8.539834
  H      -4.418948      2.662955      8.207303
  H      -2.287665      0.512716      7.826597
  H      -2.151825      1.997705      8.793300
  C      -7.146628      0.999780     -0.896496
  C      -6.187235      0.841946      0.244185
  O      -5.140913      1.515769      0.247987
  C      -6.513951     -0.093746      1.342690
  C      -7.778104     -0.710209      1.434152
  C      -8.075645     -1.552948      2.496820
  C      -7.103817     -1.801869      3.462019
  F      -7.425343     -2.596672      4.486975
  C      -5.821197     -1.225083      3.396726
  C      -4.743838     -1.578624      4.358341
  O      -4.670033     -2.664888      4.920092
  N      -3.748122     -0.595511      4.520921
  C      -2.590485     -0.932395      5.091688
  C      -5.558448     -0.365916      2.329067
  C      -8.608921      9.421258     -0.603063
  C      -7.951513      8.167880     -0.079776
  O      -8.309715      7.053983     -0.457433
  C      -6.849330      8.304561      0.924035
  C      -6.567792      9.511453      1.586360
  C      -5.585140      9.564626      2.571167
  C      -4.890481      8.404801      2.901220
  F      -3.938917      8.490155      3.851129
  C      -5.125326      7.184415      2.247913
  C      -4.474212      5.893157      2.596039
  O      -4.219537      5.081937      1.657324
  N      -4.233528      5.639794      3.911980
  C      -4.191391      4.335792      4.138952
  C      -6.100327      7.167866      1.245568
  C     -11.048890      3.574651     -0.280369
  C     -10.308976      2.593552      0.593513
  O     -10.391000      1.380140      0.401726
  C      -9.457205      3.127337      1.699839
  C      -9.118423      4.488172      1.796495
  C      -8.308295      4.936712      2.834537
  C      -7.819837      4.017067      3.755603
  F      -7.079609      4.490673      4.784235
  C      -8.106693      2.646574      3.680822
  C      -7.580117      1.632430      4.654482
  O      -8.287365      0.701854      5.040669
  N      -6.238160      1.781306      4.981287
  C      -5.856320      1.517078      6.205443
  C      -8.961603      2.232822      2.657435
  H      -8.076242      1.459943     -0.527151
  H      -6.703070      1.643556     -1.662550
  H      -7.429012      0.028669     -1.326332
  H      -8.554088     -0.495609      0.699443
  H      -9.059015     -2.009757      2.604888
  H      -2.331303     -1.948586      5.422875
  H      -4.567122      0.076264      2.260474
  H      -9.141339      9.940752      0.209046
  H      -7.861862     10.124731     -0.999463
  H      -9.324923      9.154781     -1.387376
  H      -7.123130     10.418129      1.345521
  H      -5.348923     10.491696      3.093705
  H      -4.720350      3.678349      3.440865
  H      -6.305394      6.233621      0.722063
  H     -11.676905      3.027278     -0.990920
  H     -10.334740      4.203172     -0.835854
  H     -11.667934      4.254811      0.323117
  H      -9.471427      5.208913      1.059035
  H      -8.050314      5.989653      2.939588
  H      -6.582455      1.405273      7.028273
  H      -9.241988      1.181300      2.602532
  N      -3.098878      1.957544      3.094692
  N      -3.292304      2.569045      1.850540
  H      -4.048811      2.045436      1.282447
  H      -2.412081      2.543419      1.313463
  H      -3.627534      3.632429      1.888781
91
Coordinates from ORCA-job orca E -6725.227918415880
  N      -1.817234      0.134882      5.209464
  Mo     -3.278457      1.574183      4.823777
  N      -4.545867      1.424759      6.489267
  C      -4.080627      1.665697      7.854424
  C      -2.562217      1.580193      7.863390
  N      -1.954466      2.245758      6.667482
  C      -0.569845      1.728953      6.438132
  C      -0.613193      0.268008      6.004216
  C      -1.897623      3.735710      6.777977
  C      -3.182813      4.388666      6.305047
  N      -3.655968      3.676501      5.127779
  H       0.283391      0.040632      5.406594
  H      -0.631369     -0.430099      6.855537
  H      -0.144135      2.333713      5.627511
  H       0.051052      1.872113      7.337431
  H      -3.965263      4.351895      7.079356
  H      -3.004859      5.449041      6.072397
  H      -1.650864      4.025365      7.811654
  H      -1.077715      4.066459      6.127324
  H      -4.483001      0.912020      8.552108
  H      -4.422468      2.650217      8.213159
  H      -2.268465      0.524187      7.826204
  H      -2.141917      2.015746      8.784223
  C      -7.152464      0.950422     -0.898801
  C      -6.191541      0.804696      0.240871
  O      -5.148736      1.484532      0.240149
  C      -6.512683     -0.127084      1.344366
  C      -7.776761     -0.742885      1.443453
  C      -8.070822     -1.579640      2.511704
  C      -7.095497     -1.822956      3.475019
  F      -7.413591     -2.611324      4.506280
  C      -5.813406     -1.246607      3.402456
  C      -4.733758     -1.593730      4.363843
  O      -4.656499     -2.677830      4.929254
  N      -3.741721     -0.606846      4.523792
  C      -2.581569     -0.934616      5.093583
  C      -5.553736     -0.393927      2.328644
  C      -8.605772      9.445634     -0.636647
  C      -7.960913      8.185402     -0.114678
  O      -8.324830      7.075843     -0.500255
  C      -6.869070      8.309164      0.901697
  C      -6.586194      9.511782      1.571095
  C      -5.610949      9.555972      2.563631
  C      -4.925204      8.390985      2.893939
  F      -3.978473      8.466244      3.849701
  C      -5.163058      7.174242      2.235750
  C      -4.514701      5.880614      2.582755
  O      -4.254977      5.072674      1.643122
  N      -4.283853      5.623830      3.900273
  C      -4.231308      4.320342      4.130884
  C      -6.130739      7.165965      1.226499
  C     -10.964271      3.673181     -0.280909
  C     -10.249980      2.665900      0.584073
  O     -10.326139      1.458515      0.354510
  C      -9.416721      3.167068      1.718741
  C      -9.079522      4.524202      1.857942
  C      -8.285331      4.943835      2.920152
  C      -7.811006      3.999609      3.822947
  F      -7.081173      4.441957      4.872978
  C      -8.098648      2.632296      3.706678
  C      -7.579856      1.596618      4.661449
  O      -8.293407      0.668197      5.039849
  N      -6.238979      1.740168      4.994311
  C      -5.855933      1.487309      6.219882
  C      -8.936810      2.246132      2.659438
  H      -8.090042      1.394772     -0.529067
  H      -6.718554      1.600916     -1.664684
  H      -7.420432     -0.024863     -1.328929
  H      -8.553373     -0.532704      0.708097
  H      -9.053575     -2.036182      2.626200
  H      -2.314708     -1.947657      5.428290
  H      -4.562695      0.048122      2.254049
  H      -9.140663      9.965460      0.173702
  H      -7.850880     10.145473     -1.024362
  H      -9.317584      9.187743     -1.427630
  H      -7.133304     10.422871      1.327975
  H      -5.372485     10.479950      3.090594
  H      -4.755259      3.658769      3.432798
  H      -6.336693      6.234985      0.697823
  H     -11.572622      3.148359     -1.024715
  H     -10.235098      4.318707     -0.796289
  H     -11.599699      4.334953      0.325988
  H      -9.416900      5.264465      1.132769
  H      -8.026344      5.992484      3.055916
  H      -6.580001      1.377823      7.044749
  H      -9.214945      1.196529      2.569606
  N      -3.120474      1.948825      3.093061
  N      -3.321021      2.560753      1.850881
  H      -4.081112      2.035984      1.285872
  H      -2.443162      2.539491      1.309730
  H      -3.659448      3.621889      1.895804
91
Coordinates from ORCA-job orca E -6725.228269330531
  N      -1.820376      0.129558      5.205353
  Mo     -3.288880      1.563334      4.823611
  N      -4.544147      1.409975      6.499211
  C      -4.074326      1.654778      7.861648
  C      -2.555248      1.579612      7.861581
  N      -1.959015      2.244415      6.659264
  C      -0.573588      1.732872      6.422497
  C      -0.613399      0.270017      5.994026
  C      -1.908731      3.735065      6.764911
  C      -3.200934      4.380401      6.300130
  N      -3.677154      3.666182      5.125104
  H       0.281251      0.044329      5.392799
  H      -0.624371     -0.425316      6.847745
  H      -0.155910      2.336782      5.607086
  H       0.052698      1.881644      7.317162
  H      -3.978402      4.338634      7.079222
  H      -3.030503      5.441981      6.067296
  H      -1.655668      4.029078      7.795861
  H      -1.095400      4.067935      6.107054
  H      -4.467180      0.898448      8.561922
  H      -4.420900      2.636971      8.222351
  H      -2.255060      0.525394      7.826337
  H      -2.131724      2.021299      8.777988
  C      -7.137694      0.910105     -0.910769
  C      -6.182926      0.775134      0.234518
  O      -5.137956      1.451778      0.232014
  C      -6.511642     -0.143913      1.346792
  C      -7.779655     -0.751046      1.450123
  C      -8.079459     -1.577308      2.524795
  C      -7.105788     -1.819754      3.490267
  F      -7.429361     -2.597432      4.527731
  C      -5.819919     -1.252850      3.413037
  C      -4.741395     -1.599675      4.376018
  O      -4.666931     -2.681767      4.945606
  N      -3.745952     -0.615635      4.528825
  C      -2.584338     -0.941414      5.096175
  C      -5.554757     -0.409697      2.333015
  C      -8.669079      9.401310     -0.635831
  C      -8.014777      8.144883     -0.116526
  O      -8.384804      7.032827     -0.489320
  C      -6.917047      8.275274      0.892423
  C      -6.629864      9.482742      1.551046
  C      -5.647441      9.534441      2.536065
  C      -4.958645      8.372039      2.869451
  F      -4.005086      8.454518      3.817791
  C      -5.200493      7.150499      2.221772
  C      -4.547943      5.859633      2.573552
  O      -4.288590      5.047921      1.636949
  N      -4.315376      5.609663      3.891800
  C      -4.253977      4.307211      4.127485
  C      -6.175980      7.134610      1.220195
  C     -10.852181      3.794581     -0.298759
  C     -10.160668      2.764913      0.557875
  O     -10.240126      1.562859      0.301831
  C      -9.349850      3.235249      1.721343
  C      -9.014141      4.587881      1.901015
  C      -8.245372      4.980608      2.992245
  C      -7.794285      4.014140      3.882935
  F      -7.092798      4.428703      4.963312
  C      -8.078752      2.650328      3.724913
  C      -7.576719      1.594515      4.666546
  O      -8.299363      0.666424      5.026658
  N      -6.236042      1.722698      5.005726
  C      -5.854906      1.473538      6.232196
  C      -8.891810      2.290376      2.649421
  H      -8.079596      1.353900     -0.549917
  H      -6.701020      1.554163     -1.680359
  H      -7.399975     -0.070086     -1.333788
  H      -8.552810     -0.543241      0.710510
  H      -9.065034     -2.026768      2.643044
  H      -2.315548     -1.952655      5.434712
  H      -4.560217      0.023713      2.254117
  H      -9.194215      9.924254      0.178904
  H      -7.920672     10.100523     -1.036902
  H      -9.390695      9.138212     -1.416146
  H      -7.179213     10.391824      1.305498
  H      -5.405766     10.462293      3.054696
  H      -4.777816      3.642482      3.431858
  H      -6.387114      6.199872      0.700783
  H     -11.445309      3.289504     -1.068005
  H     -10.110341      4.450979     -0.781545
  H     -11.499797      4.443134      0.309639
  H      -9.332805      5.345953      1.185834
  H      -7.988826      6.025211      3.159247
  H      -6.578661      1.370420      7.058034
  H      -9.167689      1.243390      2.526280
  N      -3.132484      1.939110      3.092843
  N      -3.332493      2.548999      1.849615
  H      -4.082701      2.015990      1.279249
  H      -2.451236      2.537386      1.313744
  H      -3.682709      3.605543      1.892743
91
Coordinates from ORCA-job orca E -6725.228642235512
  N      -1.819300      0.129502      5.194831
  Mo     -3.302152      1.550810      4.821217
  N      -4.540090      1.383445      6.509932
  C      -4.065737      1.632750      7.869147
  C      -2.545592      1.578372      7.857314
  N      -1.967226      2.246413      6.647798
  C      -0.579179      1.747133      6.400078
  C      -0.608882      0.282615      5.975253
  C      -1.930982      3.737903      6.749294
  C      -3.234520      4.369061      6.296316
  N      -3.711739      3.651837      5.123408
  H       0.283928      0.064121      5.368518
  H      -0.607168     -0.411149      6.830389
  H      -0.173976      2.352978      5.579792
  H       0.053627      1.903373      7.288926
  H      -4.005603      4.316975      7.081224
  H      -3.077708      5.433157      6.065009
  H      -1.670081      4.037408      7.776743
  H      -1.128005      4.077158      6.081995
  H      -4.442655      0.869796      8.571053
  H      -4.423087      2.609556      8.234154
  H      -2.231896      0.528114      7.823185
  H      -2.120350      2.028827      8.768600
  C      -7.134208      0.871259     -0.910985
  C      -6.180540      0.743629      0.234953
  O      -5.131864      1.414588      0.227777
  C      -6.512534     -0.164999      1.355458
  C      -7.781868     -0.768314      1.465063
  C      -8.081821     -1.587831      2.544610
  C      -7.106933     -1.828044      3.509502
  F      -7.430805     -2.598199      4.552156
  C      -5.819332     -1.266405      3.425173
  C      -4.738261     -1.611778      4.385809
  O      -4.661487     -2.692010      4.958522
  N      -3.743412     -0.626430      4.530512
  C      -2.576861     -0.946143      5.091241
  C      -5.554308     -0.429310      2.340398
  C      -8.695211      9.374973     -0.679333
  C      -8.046597      8.117887     -0.154463
  O      -8.412150      7.006707     -0.534689
  C      -6.961255      8.247174      0.867669
  C      -6.679087      9.455735      1.526868
  C      -5.705345      9.507974      2.520061
  C      -5.019418      8.345815      2.860913
  F      -4.074103      8.431723      3.817051
  C      -5.256190      7.122798      2.213503
  C      -4.604878      5.831966      2.570805
  O      -4.348828      5.015478      1.636958
  N      -4.369734      5.588695      3.889477
  C      -4.296977      4.286553      4.127220
  C      -6.224107      7.106689      1.204235
  C     -10.741885      3.936492     -0.295501
  C     -10.071411      2.879363      0.543710
  O     -10.164736      1.684376      0.259977
  C      -9.276777      3.309247      1.733763
  C      -8.939342      4.654187      1.960417
  C      -8.193972      5.011548      3.080261
  C      -7.769329      4.017480      3.952753
  F      -7.095936      4.396120      5.064051
  C      -8.053543      2.660035      3.746697
  C      -7.570632      1.579514      4.670116
  O      -8.302975      0.650540      5.005820
  N      -6.230679      1.690702      5.017853
  C      -5.851776      1.444334      6.245158
  C      -8.841535      2.334644      2.642191
  H      -8.079240      1.313696     -0.553340
  H      -6.697791      1.510188     -1.684848
  H      -7.391183     -0.113108     -1.328461
  H      -8.554062     -0.565135      0.723426
  H      -9.068487     -2.033600      2.667734
  H      -2.299456     -1.954548      5.431256
  H      -4.557939     -0.001227      2.256046
  H      -9.227888      9.897889      0.130460
  H      -7.942377     10.073891     -1.072634
  H      -9.409140      9.112720     -1.466949
  H      -7.225401     10.364917      1.275291
  H      -5.467636     10.436335      3.039665
  H      -4.817350      3.615907      3.434131
  H      -6.432765      6.171834      0.684760
  H     -11.328137      3.455823     -1.085292
  H      -9.990084      4.601568     -0.750286
  H     -11.394304      4.572779      0.320881
  H      -9.240740      5.433822      1.260975
  H      -7.937261      6.049505      3.284239
  H      -6.575179      1.346275      7.071752
  H      -9.117559      1.292717      2.480320
  N      -3.147560      1.932327      3.091176
  N      -3.347182      2.539734      1.846460
  H      -4.079644      1.993161      1.267212
  H      -2.460797      2.543595      1.318908
  H      -3.715421      3.588420      1.886315
91
Coordinates from ORCA-job orca E -6725.228979597146
  N      -1.818233      0.128709      5.191211
  Mo     -3.308809      1.542948      4.820986
  N      -4.538001      1.367511      6.515832
  C      -4.061793      1.620629      7.873285
  C      -2.541257      1.578064      7.855663
  N      -1.972269      2.247342      6.642191
  C      -0.582705      1.754571      6.389667
  C      -0.606685      0.288910      5.968141
  C      -1.943736      3.739234      6.740154
  C      -3.253291      4.362519      6.293563
  N      -3.731866      3.642751      5.122892
  H       0.285694      0.073570      5.359608
  H      -0.599126     -0.403043      6.824731
  H      -0.183864      2.360690      5.566474
  H       0.053033      1.915684      7.275552
  H      -4.020599      4.305615      7.081882
  H      -3.103728      5.427676      6.062223
  H      -1.677918      4.042629      7.765204
  H      -1.146934      4.081136      6.066800
  H      -4.430059      0.854922      8.576825
  H      -4.425269      2.594809      8.239379
  H      -2.220021      0.530088      7.822542
  H      -2.115785      2.033794      8.764180
  C      -7.121544      0.842392     -0.922717
  C      -6.172443      0.725369      0.227715
  O      -5.124805      1.398140      0.221025
  C      -6.506101     -0.178923      1.351568
  C      -7.775959     -0.780796      1.462136
  C      -8.077024     -1.598120      2.542777
  C      -7.102845     -1.837225      3.508698
  F      -7.428142     -2.604841      4.552501
  C      -5.814818     -1.276829      3.424180
  C      -4.734223     -1.620039      4.386764
  O      -4.655411     -2.700159      4.959240
  N      -3.740156     -0.633658      4.529647
  C      -2.571086     -0.949824      5.088560
  C      -5.548399     -0.442370      2.337406
  C      -8.705630      9.335080     -0.722249
  C      -8.058377      8.081606     -0.187127
  O      -8.415855      6.968269     -0.568963
  C      -6.982342      8.217275      0.843820
  C      -6.709670      9.428835      1.501795
  C      -5.743618      9.487376      2.502011
  C      -5.055587      8.328769      2.851082
  F      -4.117612      8.422022      3.813655
  C      -5.283042      7.102971      2.205301
  C      -4.630221      5.815165      2.570085
  O      -4.367248      4.997450      1.639160
  N      -4.397925      5.575742      3.889305
  C      -4.320842      4.273650      4.127070
  C      -6.243418      7.080707      1.188970
  C     -10.686683      4.046879     -0.272040
  C     -10.025585      2.969507      0.548210
  O     -10.113173      1.782013      0.232204
  C      -9.244522      3.369579      1.757666
  C      -8.921574      4.710052      2.027634
  C      -8.193300      5.041370      3.166871
  C      -7.772091      4.025664      4.015428
  F      -7.115237      4.376776      5.145497
  C      -8.042941      2.672408      3.766886
  C      -7.564502      1.572431      4.669775
  O      -8.298255      0.638228      4.986077
  N      -6.226136      1.677411      5.023698
  C      -5.849660      1.429480      6.251062
  C      -8.812762      2.372164      2.642854
  H      -8.072096      1.278393     -0.571464
  H      -6.686003      1.480760     -1.697615
  H      -7.368454     -0.145875     -1.337336
  H      -8.547261     -0.578352      0.719316
  H      -9.064209     -2.042471      2.666688
  H      -2.289726     -1.957030      5.428896
  H      -4.551538     -0.015554      2.252292
  H      -9.246893      9.859662      0.080720
  H      -7.950944     10.034461     -1.111211
  H      -9.411661      9.068102     -1.515351
  H      -7.257733     10.335163      1.243900
  H      -5.513387     10.417909      3.021099
  H      -4.838927      3.600063      3.434638
  H      -6.445221      6.143261      0.671139
  H     -11.259851      3.585590     -1.082754
  H      -9.931855      4.727844     -0.697252
  H     -11.350868      4.663263      0.352092
  H      -9.222663      5.506044      1.346542
  H      -7.947730      6.075092      3.404881
  H      -6.573965      1.332033      7.076860
  H      -9.077684      1.333063      2.446838
  N      -3.154966      1.927043      3.091498
  N      -3.353686      2.533348      1.846605
  H      -4.079638      1.980784      1.264718
  H      -2.465320      2.543272      1.322368
  H      -3.729329      3.579781      1.884779
91
Coordinates from ORCA-job orca E -6725.229210977756
  N      -1.819001      0.131848      5.187778
  Mo     -3.314866      1.539068      4.819474
  N      -4.532450      1.356596      6.522633
  C      -4.052832      1.618380      7.876906
  C      -2.531770      1.589751      7.851595
  N      -1.974653      2.256512      6.631410
  C      -0.584467      1.768561      6.372620
  C      -0.604148      0.300611      5.957313
  C      -1.954310      3.748853      6.720748
  C      -3.270994      4.362476      6.281556
  N      -3.752310      3.636876      5.116277
  H       0.286327      0.087488      5.345173
  H      -0.588218     -0.387790      6.816700
  H      -0.192576      2.372666      5.544628
  H       0.055806      1.935679      7.254112
  H      -4.033932      4.302594      7.074076
  H      -3.129406      5.428261      6.047683
  H      -1.680075      4.060018      7.741213
  H      -1.166524      4.091130      6.037031
  H      -4.410041      0.851391      8.584765
  H      -4.423572      2.590440      8.241412
  H      -2.201551      0.544510      7.822779
  H      -2.106239      2.054840      8.755257
  C      -7.121102      0.805095     -0.927862
  C      -6.183226      0.711904      0.233621
  O      -5.147763      1.403697      0.236702
  C      -6.509338     -0.198522      1.355122
  C      -7.771136     -0.817754      1.461679
  C      -8.063114     -1.644982      2.537250
  C      -7.087215     -1.875733      3.503402
  F      -7.401327     -2.656576      4.541367
  C      -5.807162     -1.297469      3.423576
  C      -4.724053     -1.633592      4.385399
  O      -4.636105     -2.713728      4.956152
  N      -3.737248     -0.639842      4.529551
  C      -2.563838     -0.950827      5.083509
  C      -5.549813     -0.454341      2.341306
  C      -8.641668      9.364639     -0.786130
  C      -8.016117      8.105937     -0.237629
  O      -8.358282      6.996164     -0.643476
  C      -6.967484      8.231220      0.822040
  C      -6.715171      9.435069      1.502610
  C      -5.774536      9.482772      2.527018
  C      -5.090983      8.321679      2.877503
  F      -4.177788      8.407243      3.864108
  C      -5.298963      7.103631      2.209975
  C      -4.653348      5.812627      2.572042
  O      -4.385663      5.000623      1.636655
  N      -4.426228      5.563792      3.889547
  C      -4.350915      4.260294      4.121716
  C      -6.233539      7.092881      1.169881
  C     -10.680253      4.090723     -0.243818
  C     -10.018846      3.004532      0.563507
  O     -10.105161      1.820883      0.232603
  C      -9.248026      3.390448      1.785434
  C      -8.949863      4.729591      2.086875
  C      -8.227471      5.049709      3.233010
  C      -7.792626      4.022212      4.060422
  F      -7.134692      4.359438      5.194467
  C      -8.046480      2.670285      3.786439
  C      -7.563838      1.561773      4.678547
  O      -8.296736      0.626039      4.990911
  N      -6.225086      1.664824      5.032033
  C      -5.845158      1.421055      6.259481
  C      -8.806267      2.381441      2.651807
  H      -8.087931      1.214598     -0.588524
  H      -6.693880      1.455655     -1.697424
  H      -7.332700     -0.189511     -1.347146
  H      -8.544745     -0.622537      0.719326
  H      -9.044538     -2.102874      2.656926
  H      -2.276047     -1.957167      5.421062
  H      -4.558533     -0.014143      2.259419
  H      -9.206996      9.886693      0.001626
  H      -7.872000     10.063551     -1.145834
  H      -9.322239      9.104671     -1.603384
  H      -7.260372     10.342795      1.243727
  H      -5.560351     10.406377      3.065005
  H      -4.867478      3.582147      3.431711
  H      -6.416669      6.161312      0.634182
  H     -11.243804      3.637782     -1.066140
  H      -9.930287      4.787553     -0.650833
  H     -11.355570      4.689134      0.386317
  H      -9.269153      5.530380      1.419779
  H      -7.996498      6.081876      3.494231
  H      -6.568549      1.326625      7.086317
  H      -9.055502      1.343769      2.431400
  N      -3.162967      1.922496      3.089619
  N      -3.362445      2.524770      1.843627
  H      -4.083670      1.963859      1.262227
  H      -2.473106      2.538768      1.320955
  H      -3.744137      3.570210      1.877439
91
Coordinates from ORCA-job orca E -6725.229435226704
  N      -1.822052      0.125986      5.183340
  Mo     -3.322234      1.530478      4.818935
  N      -4.531161      1.348295      6.528650
  C      -4.046067      1.614674      7.880219
  C      -2.525097      1.588834      7.847848
  N      -1.974936      2.253124      6.623010
  C      -0.585080      1.767006      6.358783
  C      -0.604458      0.298088      5.947796
  C      -1.956404      3.745665      6.708946
  C      -3.277063      4.356045      6.277333
  N      -3.764092      3.628425      5.115531
  H       0.283853      0.084269      5.332762
  H      -0.584416     -0.387831      6.809019
  H      -0.198552      2.369694      5.527285
  H       0.059220      1.937668      7.236630
  H      -4.034511      4.295174      7.075003
  H      -3.139386      5.421873      6.041647
  H      -1.676309      4.059395      7.727042
  H      -1.173517      4.087708      6.019445
  H      -4.398227      0.848748      8.591768
  H      -4.417017      2.586781      8.244300
  H      -2.193039      0.544143      7.820693
  H      -2.096090      2.057489      8.748034
  C      -7.127467      0.765413     -0.939183
  C      -6.189185      0.679661      0.222693
  O      -5.152956      1.370151      0.219278
  C      -6.517331     -0.219085      1.353193
  C      -7.782963     -0.829019      1.468546
  C      -8.076581     -1.645587      2.551943
  C      -7.098136     -1.876222      3.515942
  F      -7.413014     -2.648395      4.560089
  C      -5.815108     -1.305902      3.428187
  C      -4.729612     -1.641093      4.388327
  O      -4.645543     -2.718339      4.965157
  N      -3.741373     -0.648632      4.530325
  C      -2.567380     -0.957805      5.083824
  C      -5.556649     -0.472059      2.338916
  C      -8.708014      9.306310     -0.789780
  C      -8.065904      8.054850     -0.243992
  O      -8.399904      6.940947     -0.645566
  C      -7.016943      8.191505      0.813901
  C      -6.776358      9.398016      1.493324
  C      -5.834933      9.456379      2.516745
  C      -5.139692      8.302339      2.867483
  F      -4.226084      8.395828      3.853036
  C      -5.336955      7.081909      2.202183
  C      -4.677892      5.797989      2.566045
  O      -4.406337      4.985794      1.632703
  N      -4.449403      5.552907      3.884334
  C      -4.365362      4.251211      4.122328
  C      -6.271962      7.060236      1.162822
  C     -10.531363      4.209640     -0.270239
  C      -9.903362      3.104351      0.537626
  O      -9.977362      1.928219      0.177839
  C      -9.175194      3.463083      1.792994
  C      -8.887125      4.795528      2.132518
  C      -8.197372      5.090366      3.305157
  C      -7.780729      4.044553      4.118855
  F      -7.148823      4.355421      5.275076
  C      -8.026781      2.699193      3.807704
  C      -7.560659      1.572284      4.685016
  O      -8.303225      0.638967      4.980691
  N      -6.222386      1.658196      5.041946
  C      -5.844112      1.415190      6.269431
  C      -8.757902      2.435065      2.649207
  H      -8.095300      1.174425     -0.603407
  H      -6.701417      1.413139     -1.711808
  H      -7.337940     -0.231783     -1.352831
  H      -8.556678     -0.635083      0.725839
  H      -9.060034     -2.097219      2.678537
  H      -2.278811     -1.963437      5.422731
  H      -4.562850     -0.038878      2.249877
  H      -9.275202      9.822617      0.000518
  H      -7.947914     10.013375     -1.153676
  H      -9.389793      9.038506     -1.603520
  H      -7.330661     10.300067      1.233578
  H      -5.629107     10.382916      3.052897
  H      -4.881848      3.571673      3.433768
  H      -6.445606      6.126313      0.627751
  H     -11.060384      3.777279     -1.125867
  H      -9.764253      4.915005     -0.628102
  H     -11.232239      4.793404      0.345542
  H      -9.184375      5.610819      1.473472
  H      -7.974649      6.116534      3.595138
  H      -6.566675      1.327710      7.097832
  H      -8.999420      1.402175      2.399059
  N      -3.178985      1.912203      3.088108
  N      -3.386321      2.515751      1.844286
  H      -4.115613      1.958479      1.268576
  H      -2.501151      2.529026      1.314653
  H      -3.766299      3.562293      1.883511
91
Coordinates from ORCA-job orca E -6725.229607780022
  N      -1.820783      0.130839      5.172953
  Mo     -3.326868      1.530380      4.815221
  N      -4.527680      1.342282      6.530491
  C      -4.038757      1.609695      7.880251
  C      -2.517646      1.591162      7.841286
  N      -1.975609      2.257629      6.613991
  C      -0.584966      1.776825      6.343391
  C      -0.600358      0.307672      5.931780
  C      -1.963321      3.750116      6.699974
  C      -3.289410      4.354691      6.276003
  N      -3.779490      3.626162      5.116083
  H       0.285924      0.097589      5.312558
  H      -0.573490     -0.378302      6.792799
  H      -0.204267      2.381383      5.510548
  H       0.062328      1.949483      7.218643
  H      -4.042638      4.289881      7.077396
  H      -3.157701      5.421419      6.040753
  H      -1.678811      4.065119      7.716465
  H      -1.186125      4.095972      6.005942
  H      -4.383706      0.841140      8.592521
  H      -4.412987      2.579534      8.247054
  H      -2.180761      0.548064      7.813091
  H      -2.087221      2.062120      8.739589
  C      -7.099580      0.699598     -0.963707
  C      -6.182242      0.649673      0.216310
  O      -5.157341      1.356757      0.220402
  C      -6.514929     -0.237446      1.354830
  C      -7.780764     -0.846323      1.473493
  C      -8.076192     -1.654383      2.563148
  C      -7.097798     -1.880599      3.528418
  F      -7.412032     -2.648026      4.576792
  C      -5.814782     -1.311034      3.436858
  C      -4.727499     -1.643277      4.395235
  O      -4.638470     -2.719796      4.972749
  N      -3.740439     -0.648970      4.528762
  C      -2.563858     -0.955337      5.076758
  C      -5.556043     -0.482651      2.343729
  C      -8.655326      9.350850     -0.824009
  C      -8.026322      8.091748     -0.280615
  O      -8.352815      6.983547     -0.703188
  C      -7.000584      8.213242      0.801188
  C      -6.770940      9.412098      1.497848
  C      -5.848364      9.457953      2.538679
  C      -5.160310      8.299459      2.888618
  F      -4.263207      8.382018      3.890203
  C      -5.347231      7.086170      2.207133
  C      -4.693217      5.799245      2.568594
  O      -4.409569      4.993496      1.632037
  N      -4.472510      5.549351      3.886827
  C      -4.383638      4.247747      4.123577
  C      -6.265394      7.076322      1.152527
  C     -10.552731      4.218845     -0.245317
  C      -9.918403      3.112288      0.555029
  O      -9.994538      1.937184      0.192596
  C      -9.185825      3.466636      1.809687
  C      -8.910764      4.798249      2.163097
  C      -8.222874      5.088577      3.338049
  C      -7.796225      4.038126      4.141032
  F      -7.167807      4.342177      5.301327
  C      -8.028987      2.693813      3.816048
  C      -7.558760      1.563696      4.687583
  O      -8.297504      0.625058      4.975375
  N      -6.220650      1.651538      5.045115
  C      -5.841088      1.410285      6.272667
  C      -8.755329      2.434072      2.653330
  H      -8.083051      1.090265     -0.651858
  H      -6.673814      1.348149     -1.735858
  H      -7.277290     -0.307469     -1.368982
  H      -8.553390     -0.658818      0.728001
  H      -9.059917     -2.104847      2.691812
  H      -2.273240     -1.960491      5.415326
  H      -4.561484     -0.051749      2.251479
  H      -9.239529      9.857436     -0.039820
  H      -7.886734     10.061801     -1.161540
  H      -9.319170      9.094388     -1.656023
  H      -7.318330     10.317970      1.236811
  H      -5.650578     10.378490      3.088055
  H      -4.901486      3.566910      3.437666
  H      -6.430697      6.148327      0.604780
  H     -11.081334      3.788512     -1.102259
  H      -9.790283      4.930555     -0.599629
  H     -11.256107      4.794764      0.375196
  H      -9.221613      5.615735      1.513229
  H      -8.012213      6.114105      3.640233
  H      -6.563237      1.323274      7.101429
  H      -8.987430      1.401974      2.391554
  N      -3.189678      1.915673      3.084407
  N      -3.400483      2.523515      1.842847
  H      -4.130022      1.966973      1.267123
  H      -2.516528      2.538742      1.311310
  H      -3.780733      3.571390      1.884220
91
Coordinates from ORCA-job orca E -6725.229676806446
  N      -1.824261      0.139374      5.156816
  Mo     -3.337472      1.533896      4.812678
  N      -4.522972      1.340186      6.538414
  C      -4.023854      1.610125      7.883731
  C      -2.502933      1.598269      7.831957
  N      -1.973195      2.265638      6.599671
  C      -0.583687      1.788517      6.317595
  C      -0.598425      0.319520      5.905813
  C      -1.964054      3.758075      6.684158
  C      -3.295918      4.358764      6.273712
  N      -3.796917      3.627220      5.120326
  H       0.283612      0.112237      5.279591
  H      -0.562789     -0.366695      6.766319
  H      -0.211257      2.394548      5.482105
  H       0.070175      1.962283      7.187740
  H      -4.040629      4.293616      7.083065
  H      -3.168880      5.425528      6.035938
  H      -1.669150      4.075245      7.697032
  H      -1.195453      4.105070      5.981137
  H      -4.359272      0.840173      8.599044
  H      -4.398981      2.578529      8.253295
  H      -2.161477      0.556679      7.802432
  H      -2.067389      2.072226      8.726235
  C      -7.122260      0.638406     -0.973455
  C      -6.216632      0.623545      0.217341
  O      -5.203323      1.346637      0.220926
  C      -6.538556     -0.261987      1.360525
  C      -7.795318     -0.888568      1.480567
  C      -8.079138     -1.698956      2.571504
  C      -7.097079     -1.911592      3.535998
  F      -7.399200     -2.684294      4.583924
  C      -5.821937     -1.324566      3.443190
  C      -4.728555     -1.646567      4.398756
  O      -4.626795     -2.723638      4.973064
  N      -3.746093     -0.646518      4.526547
  C      -2.562384     -0.949130      5.063409
  C      -5.575489     -0.493008      2.349263
  C      -8.620362      9.396165     -0.839864
  C      -8.006726      8.129539     -0.296174
  O      -8.329821      7.026687     -0.734610
  C      -6.996726      8.237438      0.801725
  C      -6.768434      9.430632      1.508420
  C      -5.858351      9.464150      2.560514
  C      -5.181525      8.299401      2.911948
  F      -4.295956      8.373029      3.924184
  C      -5.368361      7.090588      2.221613
  C      -4.729288      5.796359      2.582937
  O      -4.459304      4.985539      1.646080
  N      -4.500597      5.547192      3.899177
  C      -4.413519      4.244918      4.134568
  C      -6.273844      7.093769      1.155757
  C     -10.473538      4.218309     -0.275608
  C      -9.857950      3.115469      0.543897
  O      -9.909811      1.940942      0.175599
  C      -9.158886      3.473405      1.817320
  C      -8.908291      4.806242      2.186061
  C      -8.246816      5.097190      3.376333
  C      -7.821030      4.045272      4.178413
  F      -7.215658      4.348246      5.351348
  C      -8.031835      2.700523      3.840087
  C      -7.561147      1.568013      4.708727
  O      -8.301220      0.630678      4.997010
  N      -6.222278      1.652412      5.063147
  C      -5.837576      1.410226      6.288876
  C      -8.734070      2.440590      2.662951
  H      -8.117015      1.013471     -0.679201
  H      -6.701287      1.285272     -1.749576
  H      -7.272258     -0.377941     -1.366879
  H      -8.571236     -0.713674      0.735387
  H      -9.056787     -2.162256      2.701056
  H      -2.264740     -1.953948      5.396786
  H      -4.586865     -0.048863      2.255604
  H      -9.215881      9.898931     -0.061734
  H      -7.842548     10.106192     -1.157566
  H      -9.270719      9.149929     -1.685495
  H      -7.306642     10.341561      1.245963
  H      -5.661417     10.380160      3.117726
  H      -4.935241      3.561954      3.453318
  H      -6.437889      6.170383      0.599963
  H     -10.968883      3.784930     -1.150671
  H      -9.705938      4.937653     -0.602016
  H     -11.203588      4.786005      0.321411
  H      -9.220470      5.623531      1.536367
  H      -8.055756      6.123446      3.691740
  H      -6.555451      1.325369      7.121493
  H      -8.947938      1.407767      2.388471
  N      -3.215436      1.920568      3.080768
  N      -3.439210      2.525869      1.840187
  H      -4.161823      1.959131      1.268110
  H      -2.557860      2.550824      1.304745
  H      -3.831865      3.570430      1.880345
91
Coordinates from ORCA-job orca E -6725.229781977783
  N      -1.835193      0.133305      5.143186
  Mo     -3.346612      1.532360      4.809969
  N      -4.517568      1.343249      6.547365
  C      -4.006282      1.618072      7.886992
  C      -2.485748      1.602684      7.822034
  N      -1.964099      2.263303      6.582545
  C      -0.578791      1.779742      6.290542
  C      -0.603000      0.309864      5.882690
  C      -1.947574      3.755959      6.662243
  C      -3.282161      4.360726      6.267303
  N      -3.801309      3.627220      5.123235
  H       0.273457      0.096722      5.250629
  H      -0.564266     -0.374077      6.744880
  H      -0.210418      2.382198      5.450658
  H       0.082455      1.952897      7.155186
  H      -4.016414      4.301630      7.086623
  H      -3.154093      5.426159      6.024117
  H      -1.638274      4.075078      7.670233
  H      -1.186649      4.097476      5.948267
  H      -4.335749      0.851121      8.608325
  H      -4.376892      2.588198      8.256457
  H      -2.146660      0.560229      7.794552
  H      -2.041710      2.079552      8.710574
  C      -7.107035      0.570888     -1.002671
  C      -6.215655      0.585372      0.198877
  O      -5.205191      1.311907      0.200264
  C      -6.552340     -0.272288      1.359166
  C      -7.818497     -0.876727      1.491943
  C      -8.113050     -1.663121      2.598106
  C      -7.131492     -1.877209      3.562932
  F      -7.442948     -2.626497      4.625752
  C      -5.847361     -1.312699      3.456374
  C      -4.754488     -1.638931      4.410403
  O      -4.660828     -2.711851      4.993776
  N      -3.765142     -0.644625      4.528394
  C      -2.579724     -0.952141      5.058045
  C      -5.590965     -0.502108      2.349292
  C      -8.648560      9.397126     -0.829392
  C      -8.018612      8.131475     -0.302231
  O      -8.311656      7.032344     -0.769808
  C      -7.027074      8.235971      0.812920
  C      -6.825593      9.420735      1.541393
  C      -5.930108      9.449977      2.606042
  C      -5.241855      8.289377      2.948763
  F      -4.371125      8.360617      3.973932
  C      -5.403266      7.088271      2.238281
  C      -4.753345      5.796701      2.590652
  O      -4.489821      4.987513      1.649084
  N      -4.516885      5.545775      3.905037
  C      -4.426113      4.243986      4.142595
  C      -6.293858      7.096737      1.159743
  C     -10.347975      4.236443     -0.324022
  C      -9.789625      3.129049      0.529449
  O      -9.872468      1.950323      0.181350
  C      -9.109006      3.486502      1.813078
  C      -8.852093      4.817833      2.182725
  C      -8.209964      5.105817      3.383945
  C      -7.805319      4.052171      4.194899
  F      -7.211571      4.350377      5.376024
  C      -8.021041      2.709278      3.855178
  C      -7.565010      1.576336      4.730790
  O      -8.316232      0.650337      5.026220
  N      -6.224285      1.647526      5.080645
  C      -5.833731      1.417589      6.306734
  C      -8.707854      2.452322      2.668379
  H      -8.104324      0.955372     -0.729877
  H      -6.676616      1.198746     -1.789193
  H      -7.251454     -0.455248     -1.372089
  H      -8.593498     -0.701362      0.745817
  H      -9.098306     -2.106780      2.738324
  H      -2.285718     -1.958222      5.390856
  H      -4.595669     -0.075189      2.245994
  H      -9.267592      9.870725     -0.051191
  H      -7.880209     10.129478     -1.118133
  H      -9.279187      9.156340     -1.691362
  H      -7.372739     10.328257      1.285660
  H      -5.753335     10.359791      3.179925
  H      -4.955071      3.560338      3.467856
  H      -6.437269      6.180719      0.587059
  H     -10.829781      3.804640     -1.207329
  H      -9.549575      4.927980     -0.636627
  H     -11.079013      4.833552      0.242331
  H      -9.147970      5.636619      1.527260
  H      -8.017100      6.130303      3.701087
  H      -6.546769      1.345777      7.144704
  H      -8.926197      1.421394      2.391237
  N      -3.238262      1.919250      3.077007
  N      -3.471949      2.528846      1.840316
  H      -4.195478      1.962654      1.271005
  H      -2.594243      2.556987      1.299039
  H      -3.865963      3.575286      1.885759
91
Coordinates from ORCA-job orca E -6725.229786736578
  N      -1.837032      0.128909      5.142967
  Mo     -3.338336      1.537956      4.810341
  N      -4.513255      1.355114      6.545432
  C      -3.999422      1.626866      7.885091
  C      -2.479050      1.599857      7.821544
  N      -1.950617      2.257530      6.583451
  C      -0.568515      1.764052      6.292925
  C      -0.603536      0.295191      5.882947
  C      -1.922554      3.749815      6.664998
  C      -3.253070      4.364771      6.272818
  N      -3.779827      3.633550      5.130762
  H       0.271497      0.075664      5.251145
  H      -0.571230     -0.389893      6.744465
  H      -0.194045      2.365129      5.454759
  H       0.092209      1.930785      7.159197
  H      -3.985951      4.312582      7.093738
  H      -3.117397      5.428725      6.027559
  H      -1.609167      4.065345      7.672866
  H      -1.160253      4.086350      5.950132
  H      -4.334882      0.862590      8.606457
  H      -4.363174      2.599685      8.254074
  H      -2.147409      0.554977      7.793994
  H      -2.032804      2.072701      8.711165
  C      -7.111732      0.587072     -1.008541
  C      -6.221180      0.602026      0.194841
  O      -5.215682      1.334900      0.201118
  C      -6.558985     -0.256852      1.353646
  C      -7.826746     -0.857172      1.486367
  C      -8.123777     -1.641284      2.593635
  C      -7.142674     -1.858976      3.557810
  F      -7.456938     -2.606787      4.620847
  C      -5.856454     -1.298659      3.451432
  C      -4.764540     -1.629183      4.405517
  O      -4.676365     -2.702052      4.989932
  N      -3.771766     -0.638166      4.526561
  C      -2.587791     -0.952494      5.055520
  C      -5.597917     -0.488435      2.344278
  C      -8.631295      9.393770     -0.833354
  C      -7.988011      8.131339     -0.314671
  O      -8.259042      7.033938     -0.798661
  C      -7.012981      8.236885      0.815296
  C      -6.832729      9.417491      1.555643
  C      -5.950859      9.447203      2.631757
  C      -5.255207      8.291081      2.974130
  F      -4.397519      8.363717      4.010078
  C      -5.396123      7.093613      2.252517
  C      -4.739570      5.805213      2.603245
  O      -4.480301      4.993704      1.661960
  N      -4.498132      5.554870      3.916794
  C      -4.407083      4.253342      4.152973
  C      -6.273585      7.101971      1.163059
  C     -10.367482      4.176096     -0.340089
  C      -9.808514      3.083778      0.532548
  O      -9.898456      1.898758      0.209711
  C      -9.127828      3.462956      1.809912
  C      -8.877254      4.799753      2.164988
  C      -8.232161      5.103235      3.360677
  C      -7.816048      4.059914      4.179743
  F      -7.215533      4.372517      5.353945
  C      -8.026753      2.713006      3.855293
  C      -7.562510      1.588006      4.736407
  O      -8.310749      0.662467      5.041529
  N      -6.221178      1.664498      5.081248
  C      -5.828877      1.433052      6.306650
  C      -8.717278      2.440398      2.674642
  H      -8.107677      0.975988     -0.738505
  H      -6.679371      1.214196     -1.794815
  H      -7.257128     -0.439392     -1.376175
  H      -8.602373     -0.678902      0.741596
  H      -9.110908     -2.080775      2.734205
  H      -2.298589     -1.961294      5.384257
  H      -4.602348     -0.061731      2.242080
  H      -9.268523      9.846534     -0.057337
  H      -7.871361     10.142421     -1.101718
  H      -9.246314      9.154681     -1.707017
  H      -7.385681     10.321531      1.299925
  H      -5.790322     10.354302      3.214641
  H      -4.939501      3.572197      3.479083
  H      -6.401611      6.188482      0.582634
  H     -10.849173      3.729375     -1.215909
  H      -9.568717      4.861592     -0.664598
  H     -11.098844      4.782909      0.215351
  H      -9.182501      5.611625      1.505002
  H      -8.045501      6.131996      3.667250
  H      -6.540844      1.362889      7.145686
  H      -8.932561      1.405598      2.409443
  N      -3.234817      1.926089      3.077222
  N      -3.475863      2.542778      1.845288
  H      -4.209755      1.986737      1.281564
  H      -2.603562      2.564614      1.295007
  H      -3.858329      3.595208      1.899182
91
Coordinates from ORCA-job orca E -6725.229718665421
  N      -1.843064      0.126906      5.153879
  Mo     -3.344848      1.533197      4.813072
  N      -4.514935      1.353188      6.551921
  C      -4.001333      1.635478      7.889434
  C      -2.481252      1.615614      7.823050
  N      -1.958724      2.266179      6.578615
  C      -0.575986      1.772541      6.289976
  C      -0.609612      0.299715      5.892347
  C      -1.935342      3.759322      6.648167
  C      -3.269300      4.367750      6.257015
  N      -3.795647      3.630027      5.119028
  H       0.265424      0.075739      5.262151
  H      -0.576493     -0.377955      6.759700
  H      -0.203269      2.366548      5.446006
  H       0.085577      1.947893      7.153859
  H      -4.000244      4.315849      7.079592
  H      -3.138646      5.431104      6.006646
  H      -1.617252      4.083206      7.651875
  H      -1.178180      4.092147      5.926117
  H      -4.331778      0.874148      8.616218
  H      -4.369663      2.608580      8.253267
  H      -2.145616      0.571982      7.801687
  H      -2.035132      2.096832      8.708162
  C      -7.076646      0.548584     -1.035118
  C      -6.204701      0.583699      0.181493
  O      -5.214250      1.337425      0.203981
  C      -6.544894     -0.277237      1.337477
  C      -7.810930     -0.882793      1.461916
  C      -8.113094     -1.663256      2.569729
  C      -7.138888     -1.870867      3.542744
  F      -7.457688     -2.619312      4.603335
  C      -5.853853     -1.307182      3.445319
  C      -4.767281     -1.634225      4.407607
  O      -4.685588     -2.704200      4.997911
  N      -3.774742     -0.643568      4.534545
  C      -2.591133     -0.955840      5.066746
  C      -5.590051     -0.499706      2.336971
  C      -8.644820      9.403210     -0.828718
  C      -8.012027      8.138818     -0.302417
  O      -8.316192      7.037863     -0.758561
  C      -7.014552      8.244931      0.807962
  C      -6.806006      9.430933      1.532355
  C      -5.909295      9.459593      2.596436
  C      -5.226467      8.296880      2.942252
  F      -4.355294      8.366371      3.967164
  C      -5.394467      7.094540      2.234129
  C      -4.754268      5.799770      2.589324
  O      -4.500572      4.984747      1.650452
  N      -4.514809      5.547464      3.901726
  C      -4.422587      4.245655      4.136347
  C      -6.285066      7.104115      1.156155
  C     -10.345263      4.225624     -0.312840
  C      -9.778584      3.120499      0.538417
  O      -9.864428      1.940445      0.196092
  C      -9.123675      3.480315      1.834444
  C      -8.901288      4.812487      2.221695
  C      -8.268902      5.101458      3.427967
  C      -7.843694      4.048006      4.228322
  F      -7.251764      4.343487      5.410557
  C      -8.036626      2.705054      3.877073
  C      -7.566940      1.571924      4.745630
  O      -8.309579      0.640160      5.043670
  N      -6.226775      1.654491      5.090168
  C      -5.831338      1.426079      6.314760
  C      -8.707898      2.445349      2.683194
  H      -8.083515      0.921831     -0.783789
  H      -6.642466      1.176977     -1.819409
  H      -7.200337     -0.482591     -1.397437
  H      -8.580101     -0.711207      0.709227
  H      -9.098765     -2.107821      2.704262
  H      -2.301843     -1.963710      5.398344
  H      -4.595756     -0.068655      2.240092
  H      -9.254398      9.881815     -0.046232
  H      -7.878564     10.132848     -1.129873
  H      -9.285099      9.159569     -1.682773
  H      -7.351016     10.339456      1.275578
  H      -5.728411     10.369854      3.168304
  H      -4.953237      3.562944      3.461710
  H      -6.434600      6.185116      0.589546
  H     -10.810176      3.794377     -1.205395
  H      -9.556308      4.934580     -0.609724
  H     -11.092890      4.805220      0.250276
  H      -9.210739      5.633062      1.574130
  H      -8.095384      6.126989      3.755203
  H      -6.541771      1.355404      7.154874
  H      -8.904417      1.412965      2.394517
  N      -3.239809      1.913819      3.078672
  N      -3.478357      2.521485      1.842642
  H      -4.206562      1.957300      1.275615
  H      -2.602948      2.545833      1.297306
  H      -3.865899      3.573165      1.891246
91
Coordinates from ORCA-job orca E -6725.229830120746
  N      -1.842787      0.126108      5.143812
  Mo     -3.343936      1.534955      4.810190
  N      -4.511485      1.352038      6.551136
  C      -3.994870      1.628819      7.888529
  C      -2.474724      1.607364      7.819611
  N      -1.952525      2.260695      6.576357
  C      -0.571131      1.766086      6.283105
  C      -0.607437      0.295078      5.879882
  C      -1.925521      3.753573      6.650197
  C      -3.259285      4.365774      6.264262
  N      -3.790952      3.631374      5.126417
  H       0.265888      0.072775      5.246679
  H      -0.572806     -0.386287      6.744259
  H      -0.199454      2.363382      5.441032
  H       0.092587      1.936705      7.146327
  H      -3.987690      4.313751      7.089147
  H      -3.126953      5.429522      6.016259
  H      -1.604628      4.074248      7.654064
  H      -1.168971      4.086726      5.927644
  H      -4.324896      0.865013      8.612909
  H      -4.361144      2.601096      8.256629
  H      -2.140239      0.563421      7.795168
  H      -2.026559      2.085511      8.705393
  C      -7.087038      0.553013     -1.025027
  C      -6.213138      0.586723      0.189859
  O      -5.208639      1.321170      0.201927
  C      -6.556123     -0.268833      1.349534
  C      -7.825098     -0.867304      1.480465
  C      -8.126417     -1.645801      2.590339
  C      -7.148748     -1.858804      3.559041
  F      -7.465541     -2.604869      4.622121
  C      -5.861946     -1.300224      3.454721
  C      -4.773302     -1.628809      4.412952
  O      -4.687119     -2.700867      4.998722
  N      -3.778441     -0.639965      4.531363
  C      -2.593715     -0.955129      5.057902
  C      -5.598979     -0.495236      2.344996
  C      -8.641993      9.403472     -0.833874
  C      -8.007925      8.139283     -0.308158
  O      -8.297122      7.040018     -0.777771
  C      -7.023683      8.244802      0.813978
  C      -6.830136      9.427762      1.547203
  C      -5.943928      9.455407      2.619912
  C      -5.256569      8.295119      2.965678
  F      -4.396514      8.365718      3.999503
  C      -5.409986      7.095458      2.249806
  C      -4.766107      5.801854      2.603402
  O      -4.507032      4.991198      1.661442
  N      -4.520078      5.550712      3.915646
  C      -4.424166      4.248655      4.150568
  C      -6.291085      7.106470      1.163744
  C     -10.325666      4.208456     -0.336395
  C      -9.785629      3.105617      0.534652
  O      -9.862705      1.924460      0.193399
  C      -9.117517      3.472624      1.821856
  C      -8.878066      4.806598      2.191799
  C      -8.239845      5.102427      3.393406
  C      -7.823851      4.054017      4.205035
  F      -7.229775      4.357681      5.384223
  C      -8.029185      2.709083      3.868857
  C      -7.566718      1.581298      4.748712
  O      -8.313161      0.652959      5.048151
  N      -6.224976      1.657286      5.091189
  C      -5.828171      1.427309      6.315613
  C      -8.707831      2.443251      2.679957
  H      -8.087235      0.943823     -0.773467
  H      -6.645187      1.167679     -1.815813
  H      -7.225880     -0.479442     -1.378110
  H      -8.596436     -0.693270      0.730581
  H      -9.113762     -2.085193      2.729488
  H      -2.303948     -1.963588      5.387254
  H      -4.602161     -0.071177      2.242928
  H      -9.264598      9.872385     -0.055771
  H      -7.876670     10.140171     -1.119822
  H      -9.269725      9.161916     -1.697768
  H      -7.378092     10.334522      1.290410
  H      -5.774401     10.363629      3.198448
  H      -4.960407      3.566039      3.480866
  H      -6.429839      6.190638      0.589481
  H     -10.782773      3.773085     -1.231029
  H      -9.523929      4.904898     -0.628751
  H     -11.074731      4.802598      0.209227
  H      -9.181290      5.622975      1.536302
  H      -8.056675      6.129569      3.708361
  H      -6.537506      1.358414      7.156891
  H      -8.917256      1.410340      2.403590
  N      -3.240472      1.920660      3.076369
  N      -3.480203      2.530918      1.841059
  H      -4.197141      1.960988      1.268163
  H      -2.602654      2.565938      1.299725
  H      -3.879447      3.578102      1.889036
91
Coordinates from ORCA-job orca E -6725.229850138329
  N      -1.843090      0.127472      5.135612
  Mo     -3.346346      1.535828      4.810251
  N      -4.508348      1.347948      6.554329
  C      -3.987905      1.625268      7.890050
  C      -2.467859      1.604924      7.816937
  N      -1.949292      2.259229      6.572539
  C      -0.568635      1.765120      6.274745
  C      -0.605793      0.295025      5.868708
  C      -1.921017      3.751907      6.647820
  C      -3.256553      4.364999      6.269749
  N      -3.795286      3.630842      5.135203
  H       0.265880      0.073881      5.232845
  H      -0.568871     -0.387903      6.731767
  H      -0.199141      2.363813      5.432671
  H       0.097255      1.934383      7.136551
  H      -3.980239      4.313362      7.098869
  H      -3.124886      5.428712      6.021062
  H      -1.594195      4.071383      7.650172
  H      -1.168379      4.085197      5.921264
  H      -4.315404      0.861414      8.615563
  H      -4.353838      2.597386      8.258885
  H      -2.132480      0.561269      7.791310
  H      -2.017769      2.083095      8.701712
  C      -7.097047      0.555678     -1.025455
  C      -6.215757      0.583792      0.184110
  O      -5.212031      1.319067      0.192869
  C      -6.558491     -0.268709      1.346457
  C      -7.827732     -0.865982      1.479072
  C      -8.128936     -1.643485      2.589887
  C      -7.150549     -1.857312      3.557607
  F      -7.467974     -2.600269      4.622957
  C      -5.863442     -1.299456      3.451911
  C      -4.774443     -1.627591      4.409828
  O      -4.685348     -2.700756      4.993257
  N      -3.779878     -0.638228      4.527025
  C      -2.593452     -0.953835      5.049939
  C      -5.600495     -0.495563      2.341149
  C      -8.620144      9.395020     -0.860197
  C      -7.988623      8.130943     -0.331325
  O      -8.259592      7.033570     -0.815677
  C      -7.023380      8.235023      0.807143
  C      -6.847149      9.415387      1.549021
  C      -5.975499      9.442835      2.633436
  C      -5.285401      8.285228      2.982469
  F      -4.438541      8.356400      4.027098
  C      -5.422053      7.088109      2.259100
  C      -4.772068      5.798049      2.613633
  O      -4.516714      4.984190      1.672578
  N      -4.525094      5.549302      3.925881
  C      -4.434248      4.247171      4.163453
  C      -6.289829      7.098782      1.161997
  C     -10.313792      4.209651     -0.335219
  C      -9.765585      3.110104      0.534882
  O      -9.851595      1.927506      0.201295
  C      -9.102446      3.479149      1.824422
  C      -8.862908      4.813204      2.194955
  C      -8.233126      5.109007      3.401050
  C      -7.822019      4.060458      4.215276
  F      -7.236717      4.364208      5.399298
  C      -8.024171      2.715471      3.876707
  C      -7.565372      1.586120      4.756346
  O      -8.317837      0.664796      5.062784
  N      -6.223203      1.657078      5.098137
  C      -5.825262      1.426443      6.322118
  C      -8.698471      2.450088      2.685325
  H      -8.093536      0.951665     -0.767337
  H      -6.657078      1.170040     -1.817591
  H      -7.243207     -0.475487     -1.379196
  H      -8.600052     -0.691265      0.730200
  H      -9.116901     -2.081067      2.730334
  H      -2.302813     -1.963138      5.375872
  H      -4.603417     -0.072507      2.237869
  H      -9.260127      9.855045     -0.090829
  H      -7.853795     10.137963     -1.126371
  H      -9.229925      9.155952     -1.737528
  H      -7.395683     10.320706      1.288343
  H      -5.818378     10.349275      3.218273
  H      -4.973664      3.563981      3.496914
  H      -6.414110      6.185250      0.580667
  H     -10.773971      3.771241     -1.226744
  H      -9.516415      4.908677     -0.632794
  H     -11.062543      4.801568      0.213427
  H      -9.164292      5.629644      1.538884
  H      -8.053870      6.135881      3.718786
  H      -6.533255      1.358879      7.164656
  H      -8.906911      1.417259      2.407883
  N      -3.250941      1.928520      3.077617
  N      -3.498775      2.546414      1.847947
  H      -4.220281      1.979972      1.277750
  H      -2.625157      2.584302      1.300480
  H      -3.897896      3.594436      1.904379
91
Coordinates from ORCA-job orca E -6725.229878352413
  N      -1.845630      0.124877      5.143349
  Mo     -3.344729      1.536116      4.811632
  N      -4.509581      1.353997      6.554202
  C      -3.990394      1.633897      7.890051
  C      -2.470357      1.610922      7.818970
  N      -1.949101      2.260948      6.573396
  C      -0.568939      1.763104      6.279041
  C      -0.608794      0.291722      5.877463
  C      -1.918370      3.753865      6.644566
  C      -3.252637      4.368246      6.264080
  N      -3.791357      3.632535      5.130313
  H       0.263090      0.066576      5.243312
  H      -0.574629     -0.388585      6.742691
  H      -0.196989      2.358441      5.435683
  H       0.095955      1.933720      7.141322
  H      -3.977011      4.319399      7.092707
  H      -3.119328      5.431160      6.013060
  H      -1.591413      4.075330      7.646232
  H      -1.164855      4.083825      5.917381
  H      -4.320174      0.872491      8.617081
  H      -4.355389      2.607441      8.256013
  H      -2.136827      0.566612      7.796449
  H      -2.020503      2.090685      8.702990
  C      -7.084891      0.544814     -1.034346
  C      -6.210869      0.580920      0.180462
  O      -5.209849      1.320072      0.192460
  C      -6.555858     -0.270180      1.342903
  C      -7.825844     -0.866399      1.473648
  C      -8.130137     -1.640492      2.585940
  C      -7.153960     -1.852417      3.556323
  F      -7.473770     -2.594229      4.621626
  C      -5.866028     -1.296261      3.452270
  C      -4.778601     -1.625707      4.411727
  O      -4.695975     -2.696658      5.000171
  N      -3.782561     -0.638189      4.531811
  C      -2.598153     -0.955271      5.057906
  C      -5.600291     -0.494635      2.340544
  C      -8.633502      9.412470     -0.835431
  C      -8.003879      8.146295     -0.309423
  O      -8.292156      7.048383     -0.782530
  C      -7.023689      8.248145      0.816535
  C      -6.830869      9.429558      1.552427
  C      -5.947915      9.454289      2.627865
  C      -5.263039      8.292667      2.973692
  F      -4.405673      8.359841      4.009993
  C      -5.415501      7.094549      2.255153
  C      -4.771703      5.800769      2.607736
  O      -4.522145      4.986054      1.666326
  N      -4.522023      5.550625      3.919088
  C      -4.428970      4.248929      4.156808
  C      -6.293985      7.107999      1.166846
  C     -10.320123      4.190460     -0.340561
  C      -9.769517      3.093386      0.531257
  O      -9.849993      1.910179      0.198331
  C      -9.108809      3.466401      1.820589
  C      -8.872449      4.801726      2.188185
  C      -8.241848      5.101378      3.392936
  C      -7.827838      4.055677      4.209175
  F      -7.239899      4.362733      5.390709
  C      -8.028544      2.709600      3.874261
  C      -7.566667      1.583486      4.756542
  O      -8.315298      0.658883      5.062389
  N      -6.224795      1.659474      5.097494
  C      -5.826439      1.430112      6.321524
  C      -8.702379      2.439958      2.683838
  H      -8.083236      0.940901     -0.784350
  H      -6.641110      1.154944     -1.827534
  H      -7.228734     -0.488447     -1.382715
  H      -8.595992     -0.692730      0.722332
  H      -9.118461     -2.077650      2.725219
  H      -2.309934     -1.964720      5.385513
  H      -4.602748     -0.072380      2.238272
  H      -9.257926      9.881628     -0.058860
  H      -7.865709     10.148000     -1.117656
  H      -9.258560      9.173512     -1.701991
  H      -7.376047     10.337783      1.294808
  H      -5.778588     10.361357      3.208295
  H      -4.968345      3.566006      3.489815
  H      -6.431286      6.193280      0.590554
  H     -10.775641      3.750380     -1.233644
  H      -9.525290      4.893533     -0.635558
  H     -11.073197      4.778719      0.206137
  H      -9.173952      5.616915      1.530548
  H      -8.062901      6.129592      3.706771
  H      -6.534411      1.362051      7.164063
  H      -8.908805      1.405997      2.408993
  N      -3.247426      1.923842      3.078029
  N      -3.494261      2.538019      1.846447
  H      -4.215373      1.970072      1.276370
  H      -2.619992      2.574767      1.299934
  H      -3.893283      3.586317      1.900127
91
Coordinates from ORCA-job orca E -6725.229882736687
  N      -1.846911      0.118948      5.146111
  Mo     -3.340995      1.534533      4.812280
  N      -4.506339      1.352841      6.555086
  C      -3.987391      1.633452      7.890810
  C      -2.467352      1.609709      7.820303
  N      -1.944717      2.256834      6.573844
  C      -0.565888      1.754644      6.280498
  C      -0.610099      0.282787      5.880842
  C      -1.910165      3.749864      6.642473
  C      -3.243822      4.366879      6.264301
  N      -3.785835      3.631526      5.131835
  H       0.261644      0.054170      5.247715
  H      -0.578653     -0.396594      6.746923
  H      -0.191817      2.347940      5.436649
  H       0.099182      1.924156      7.142857
  H      -3.967009      4.320006      7.094110
  H      -3.108677      5.429448      6.012754
  H      -1.579423      4.072302      7.642587
  H      -1.157963      4.076454      5.912398
  H      -4.317584      0.872640      8.618275
  H      -4.352136      2.607413      8.255920
  H      -2.134489      0.565156      7.799780
  H      -2.017516      2.090819      8.703578
  C      -7.082079      0.568104     -1.034257
  C      -6.208848      0.597844      0.181442
  O      -5.208127      1.337274      0.199075
  C      -6.555049     -0.258579      1.339757
  C      -7.824802     -0.856117      1.466431
  C      -8.130244     -1.634616      2.575232
  C      -7.155701     -1.849118      3.546644
  F      -7.476546     -2.595160      4.608548
  C      -5.868049     -1.291598      3.446806
  C      -4.782998     -1.623266      4.408289
  O      -4.702626     -2.695354      4.994899
  N      -3.784809     -0.638128      4.530812
  C      -2.601797     -0.959174      5.057893
  C      -5.600799     -0.486169      2.338116
  C      -8.630579      9.379816     -0.862508
  C      -7.995338      8.118802     -0.330771
  O      -8.269235      7.018781     -0.807569
  C      -7.026731      8.228643      0.804411
  C      -6.851799      9.411020      1.543355
  C      -5.979393      9.442392      2.627089
  C      -5.286941      8.286753      2.978335
  F      -4.440836      8.361971      4.023120
  C      -5.421279      7.087950      2.256849
  C      -4.770112      5.798816      2.612609
  O      -4.512218      4.985994      1.671545
  N      -4.521746      5.549423      3.924305
  C      -4.426544      4.247503      4.160218
  C      -6.289537      7.095248      1.160197
  C     -10.321295      4.213185     -0.326655
  C      -9.774943      3.111982      0.542378
  O      -9.856170      1.930185      0.204404
  C      -9.112045      3.479108      1.832369
  C      -8.877237      4.812779      2.206263
  C      -8.244448      5.107518      3.411248
  C      -7.828183      4.058313      4.221652
  F      -7.236424      4.359983      5.402598
  C      -8.028864      2.713669      3.881293
  C      -7.565461      1.584668      4.759541
  O      -8.314038      0.660145      5.065298
  N      -6.222988      1.659667      5.098563
  C      -5.823281      1.430303      6.322272
  C      -8.703371      2.448878      2.690122
  H      -8.079946      0.966057     -0.783317
  H      -6.636141      1.179695     -1.825174
  H      -7.227634     -0.463723     -1.386237
  H      -8.593888     -0.680089      0.714674
  H      -9.118549     -2.072794      2.711427
  H      -2.316207     -1.969854      5.384000
  H      -4.603593     -0.062230      2.239457
  H      -9.265793      9.843834     -0.091661
  H      -7.866262     10.121641     -1.137738
  H      -9.245718      9.135818     -1.734733
  H      -7.403206     10.314369      1.281972
  H      -5.824259     10.350125      3.210444
  H      -4.965752      3.564293      3.493185
  H      -6.413280      6.179758      0.581886
  H     -10.773105      3.777143     -1.223626
  H      -9.526592      4.919200     -0.614656
  H     -11.077518      4.797620      0.219944
  H      -9.181526      5.630439      1.552875
  H      -8.065482      6.134440      3.729454
  H      -6.530835      1.363373      7.165215
  H      -8.909309      1.416198      2.410254
  N      -3.240038      1.923526      3.079159
  N      -3.483186      2.538939      1.847638
  H      -4.202442      1.972154      1.274848
  H      -2.607519      2.574876      1.303200
  H      -3.880350      3.588229      1.900471
91
Coordinates from ORCA-job orca E -6725.229899638813
  N      -1.849187      0.119465      5.144596
  Mo     -3.343488      1.535373      4.812497
  N      -4.506258      1.353438      6.556891
  C      -3.985601      1.636537      7.891464
  C      -2.465635      1.613503      7.818856
  N      -1.944843      2.258733      6.570443
  C      -0.566387      1.755741      6.275893
  C      -0.611399      0.283480      5.877609
  C      -1.909480      3.751858      6.636851
  C      -3.244224      4.368942      6.262629
  N      -3.790742      3.632331      5.133079
  H       0.259371      0.054037      5.243468
  H      -0.578963     -0.395089      6.744285
  H      -0.193209      2.348005      5.430925
  H       0.099666      1.926185      7.137290
  H      -3.964315      4.323419      7.095182
  H      -3.109515      5.431101      6.009100
  H      -1.574900      4.075396      7.635332
  H      -1.159779      4.077001      5.903555
  H      -4.314542      0.876911      8.620736
  H      -4.350367      2.610930      8.255414
  H      -2.132314      0.569076      7.799621
  H      -2.014720      2.096340      8.700621
  C      -7.075039      0.549450     -1.041362
  C      -6.205735      0.585637      0.176846
  O      -5.204847      1.324898      0.193219
  C      -6.554403     -0.265879      1.337917
  C      -7.825118     -0.861355      1.465058
  C      -8.133096     -1.634840      2.576725
  C      -7.159956     -1.846832      3.550124
  F      -7.483050     -2.588596      4.614299
  C      -5.871497     -1.291207      3.449798
  C      -4.787267     -1.621343      4.412555
  O      -4.706647     -2.692980      5.000008
  N      -3.788074     -0.636980      4.532182
  C      -2.604505     -0.958444      5.057563
  C      -5.601895     -0.490297      2.338481
  C      -8.630697      9.398096     -0.852397
  C      -8.002634      8.133822     -0.319996
  O      -8.287622      7.034428     -0.791742
  C      -7.028326      8.239380      0.810686
  C      -6.842958      9.421707      1.547171
  C      -5.966393      9.449086      2.627677
  C      -5.280148      8.289521      2.978024
  F      -4.430045      8.359930      4.019922
  C      -5.424610      7.090774      2.258601
  C      -4.779677      5.798512      2.614061
  O      -4.527669      4.983685      1.672951
  N      -4.528277      5.549482      3.924829
  C      -4.434104      4.247688      4.162809
  C      -6.296924      7.101805      1.165223
  C     -10.310653      4.201988     -0.333372
  C      -9.763259      3.102431      0.537092
  O      -9.840126      1.920356      0.198956
  C      -9.106087      3.471763      1.829216
  C      -8.873439      4.806158      2.201630
  C      -8.245039      5.103309      3.408339
  C      -7.830495      4.055936      4.221873
  F      -7.243704      4.359965      5.404635
  C      -8.029139      2.710517      3.882928
  C      -7.566748      1.583353      4.764112
  O      -8.315355      0.659131      5.070785
  N      -6.224285      1.659098      5.102526
  C      -5.823463      1.429871      6.325934
  C      -8.699727      2.443183      2.690259
  H      -8.071895      0.952904     -0.796011
  H      -6.624645      1.153590     -1.835420
  H      -7.224471     -0.484239     -1.385964
  H      -8.592706     -0.687121      0.711365
  H      -9.121984     -2.071591      2.713321
  H      -2.319385     -1.969364      5.383312
  H      -4.603750     -0.068746      2.238889
  H      -9.257754      9.869900     -0.079609
  H      -7.862009     10.132766     -1.134546
  H      -9.252656      9.156164     -1.720362
  H      -7.389340     10.328277      1.286361
  H      -5.803274     10.356619      3.209163
  H      -4.976825      3.564100      3.499044
  H      -6.428381      6.186321      0.588661
  H     -10.756633      3.765019     -1.232793
  H      -9.518299      4.912369     -0.617089
  H     -11.072034      4.781979      0.210919
  H      -9.175003      5.623006      1.546035
  H      -8.067805      6.131019      3.725017
  H      -6.530069      1.362625      7.169667
  H      -8.903810      1.409786      2.411592
  N      -3.246717      1.925580      3.079453
  N      -3.494242      2.542123      1.849447
  H      -4.210374      1.972084      1.275415
  H      -2.619063      2.584884      1.304745
  H      -3.898913      3.589429      1.904009
91
Coordinates from ORCA-job orca E -6725.229917668523
  N      -1.852646      0.115839      5.145297
  Mo     -3.343139      1.535625      4.813710
  N      -4.503255      1.354307      6.560003
  C      -3.980116      1.641971      7.892693
  C      -2.460236      1.618869      7.817720
  N      -1.940661      2.258752      6.565722
  C      -0.563761      1.751185      6.270483
  C      -0.613367      0.277932      5.876118
  C      -1.901055      3.752074      6.626764
  C      -3.236866      4.371340      6.260064
  N      -3.792943      3.632706      5.136290
  H       0.255852      0.044364      5.241351
  H      -0.581609     -0.398470      6.744514
  H      -0.190191      2.340224      5.423437
  H       0.103713      1.922297      7.130613
  H      -3.951219      4.330072      7.097770
  H      -3.101126      5.432442      6.002625
  H      -1.558049      4.078067      7.621599
  H      -1.155959      4.072422      5.886646
  H      -4.307925      0.884957      8.625193
  H      -4.344377      2.617578      8.253843
  H      -2.126806      0.574406      7.802410
  H      -2.007903      2.105515      8.696624
  C      -7.068451      0.541029     -1.050181
  C      -6.203682      0.582352      0.171056
  O      -5.203830      1.322957      0.187976
  C      -6.555282     -0.265529      1.333913
  C      -7.826912     -0.859356      1.460065
  C      -8.137886     -1.629554      2.573319
  C      -7.166569     -1.840699      3.548788
  F      -7.492067     -2.580041      4.613936
  C      -5.877306     -1.286633      3.449215
  C      -4.794402     -1.617683      4.412901
  O      -4.718147     -2.687661      5.004072
  N      -3.793173     -0.635429      4.532887
  C      -2.610417     -0.960261      5.057930
  C      -5.604947     -0.488285      2.336763
  C      -8.622401      9.410338     -0.855626
  C      -8.001366      8.143386     -0.321448
  O      -8.287902      7.045379     -0.795373
  C      -7.031255      8.244549      0.813151
  C      -6.845662      9.425270      1.552138
  C      -5.972735      9.448814      2.635617
  C      -5.290165      8.287186      2.986272
  F      -4.443571      8.353805      4.031234
  C      -5.434677      7.089982      2.264364
  C      -4.792296      5.796385      2.619320
  O      -4.546230      4.979569      1.677768
  N      -4.537416      5.547800      3.928967
  C      -4.442693      4.246352      4.169548
  C      -6.303937      7.104595      1.168468
  C     -10.300786      4.187012     -0.337623
  C      -9.751166      3.091236      0.536105
  O      -9.825047      1.908107      0.200855
  C      -9.099115      3.464714      1.829584
  C      -8.867828      4.800153      2.199231
  C      -8.244997      5.100550      3.408161
  C      -7.833399      4.055435      4.226085
  F      -7.252708      4.362436      5.411091
  C      -8.029440      2.709010      3.889125
  C      -7.567861      1.584116      4.773968
  O      -8.317332      0.661766      5.084207
  N      -6.224683      1.659417      5.109440
  C      -5.820942      1.430494      6.332055
  C      -8.695875      2.438536      2.694991
  H      -8.063376      0.952532     -0.810696
  H      -6.611928      1.136841     -1.846932
  H      -7.224141     -0.493994     -1.387603
  H      -8.592836     -0.685501      0.704549
  H      -9.127418     -2.065085      2.709223
  H      -2.328065     -1.972578      5.381654
  H      -4.605967     -0.068601      2.237618
  H      -9.249875      9.884952     -0.084890
  H      -7.849539     10.141609     -1.135199
  H      -9.242525      9.171245     -1.725690
  H      -7.388520     10.333740      1.290552
  H      -5.809409     10.355031      3.219102
  H      -4.989245      3.561578      3.510031
  H      -6.435115      6.190442      0.589840
  H     -10.740099      3.746963     -1.238804
  H      -9.512644      4.903233     -0.617995
  H     -11.068910      4.761200      0.203582
  H      -9.167028      5.615834      1.541173
  H      -8.070126      6.129291      3.722794
  H      -6.525576      1.363915      7.177526
  H      -8.898438      1.404418      2.418074
  N      -3.250579      1.928305      3.081037
  N      -3.503223      2.548215      1.854059
  H      -4.217432      1.976792      1.279179
  H      -2.629334      2.597323      1.307827
  H      -3.914050      3.594628      1.911290
91
Coordinates from ORCA-job orca E -6725.229933802611
  N      -1.858135      0.109190      5.149051
  Mo     -3.341456      1.535710      4.815839
  N      -4.500276      1.356814      6.563344
  C      -3.975335      1.650656      7.894018
  C      -2.455529      1.626268      7.817653
  N      -1.935619      2.257871      6.561194
  C      -0.561022      1.742655      6.266961
  C      -0.617811      0.267892      5.878698
  C      -1.889207      3.751431      6.614381
  C      -3.225300      4.374601      6.255661
  N      -3.792985      3.633737      5.138973
  H       0.250012      0.027581      5.244526
  H      -0.588791     -0.405131      6.749826
  H      -0.185350      2.326471      5.417229
  H       0.107564      1.914453      7.126046
  H      -3.933197      4.339645      7.099117
  H      -3.087073      5.434167      5.993162
  H      -1.536173      4.080825      7.604595
  H      -1.148985      4.064441      5.866219
  H      -4.302839      0.897511      8.630648
  H      -4.338728      2.628202      8.250753
  H      -2.122780      0.581527      7.808480
  H      -2.001910      2.118083      8.692954
  C      -7.056556      0.540998     -1.060476
  C      -6.196712      0.583259      0.164263
  O      -5.198031      1.325340      0.184920
  C      -6.553405     -0.262368      1.327155
  C      -7.825996     -0.855120      1.448870
  C      -8.142332     -1.622919      2.562280
  C      -7.175353     -1.833197      3.542255
  F      -7.505899     -2.570738      4.606945
  C      -5.885277     -1.279978      3.447200
  C      -4.806537     -1.611278      4.415264
  O      -4.733843     -2.681053      5.007336
  N      -3.801247     -0.632980      4.534725
  C      -2.620076     -0.963624      5.060105
  C      -5.607594     -0.483693      2.334536
  C      -8.621053      9.409633     -0.860727
  C      -8.003966      8.142325     -0.322872
  O      -8.292527      7.043960     -0.794718
  C      -7.035463      8.243472      0.813065
  C      -6.850232      9.424513      1.551734
  C      -5.979720      9.447618      2.637099
  C      -5.299026      8.285505      2.989908
  F      -4.455278      8.351955      4.037158
  C      -5.442651      7.088159      2.268035
  C      -4.801700      5.794291      2.624428
  O      -4.557439      4.976172      1.682939
  N      -4.544599      5.546780      3.933114
  C      -4.449210      4.245517      4.175788
  C      -6.309788      7.103149      1.170334
  C     -10.292107      4.181141     -0.336213
  C      -9.741124      3.086473      0.537976
  O      -9.809849      1.903453      0.201012
  C      -9.095523      3.460422      1.834462
  C      -8.868057      4.796091      2.205497
  C      -8.249977      5.097118      3.416823
  C      -7.839190      4.052443      4.235615
  F      -7.261570      4.359623      5.422054
  C      -8.031786      2.705798      3.897371
  C      -7.568868      1.581891      4.782994
  O      -8.317701      0.660014      5.096080
  N      -6.225180      1.658823      5.115712
  C      -5.818455      1.432238      6.337758
  C      -8.693702      2.434558      2.701045
  H      -8.049082      0.961551     -0.826260
  H      -6.592523      1.129605     -1.858211
  H      -7.220240     -0.494124     -1.393404
  H      -8.588404     -0.681432      0.689787
  H      -9.132636     -2.057781      2.694739
  H      -2.342881     -1.977982      5.381802
  H      -4.607796     -0.065106      2.238920
  H      -9.247000      9.888795     -0.091580
  H      -7.845670     10.137450     -1.142441
  H      -9.241805      9.170013     -1.730198
  H      -7.391532     10.333437      1.288535
  H      -5.816938     10.353862      3.220705
  H      -4.999780      3.559630      3.520615
  H      -6.440676      6.188757      0.592023
  H     -10.722861      3.740788     -1.241369
  H      -9.508417      4.904844     -0.609456
  H     -11.068294      4.746895      0.202583
  H      -9.165808      5.611886      1.546964
  H      -8.077730      6.126172      3.731929
  H      -6.521248      1.366593      7.184874
  H      -8.892881      1.400112      2.422866
  N      -3.250442      1.930502      3.083647
  N      -3.505204      2.553802      1.859205
  H      -4.216731      1.981557      1.282079
  H      -2.631524      2.608399      1.313133
  H      -3.921968      3.599789      1.917437
91
Coordinates from ORCA-job orca E -6725.229951224283
  N      -1.862069      0.099763      5.155587
  Mo     -3.336805      1.533525      4.818664
  N      -4.496127      1.356428      6.566048
  C      -3.970671      1.657369      7.894918
  C      -2.450869      1.633234      7.818443
  N      -1.930145      2.255553      6.557207
  C      -0.557645      1.732437      6.265517
  C      -0.621408      0.255743      5.884976
  C      -1.877453      3.749383      6.601199
  C      -3.214141      4.375879      6.250667
  N      -3.793543      3.632221      5.141751
  H       0.245620      0.008061      5.252524
  H      -0.595786     -0.412942      6.759570
  H      -0.179206      2.310122      5.412822
  H       0.111343      1.905711      7.123942
  H      -3.915203      4.347763      7.100085
  H      -3.073655      5.433799      5.982598
  H      -1.514097      4.083103      7.586241
  H      -1.142575      4.054671      5.844550
  H      -4.297636      0.908016      8.635662
  H      -4.334356      2.636608      8.246663
  H      -2.117502      0.588673      7.817088
  H      -1.997275      2.131942      8.689772
  C      -7.045243      0.555778     -1.066712
  C      -6.189535      0.594752      0.161087
  O      -5.189319      1.334648      0.185809
  C      -6.550274     -0.253021      1.321092
  C      -7.823281     -0.846031      1.437196
  C      -8.143845     -1.615650      2.548081
  C      -7.180794     -1.827499      3.531556
  F      -7.515313     -2.567173      4.593350
  C      -5.890362     -1.273909      3.442162
  C      -4.815703     -1.607030      4.413792
  O      -4.749112     -2.675496      5.009019
  N      -3.806773     -0.632371      4.535569
  C      -2.628216     -0.969507      5.063322
  C      -5.608319     -0.476011      2.331677
  C      -8.617572      9.396637     -0.877478
  C      -8.003138      8.130194     -0.334593
  O      -8.287794      7.031254     -0.807494
  C      -7.040897      8.232967      0.806453
  C      -6.861429      9.414522      1.545925
  C      -5.996701      9.438895      2.635778
  C      -5.315957      8.277886      2.992280
  F      -4.478006      8.346373      4.044100
  C      -5.453741      7.080204      2.269792
  C      -4.811908      5.787608      2.628993
  O      -4.566194      4.968343      1.688132
  N      -4.555324      5.541797      3.937183
  C      -4.456522      4.240812      4.181656
  C      -6.315283      7.093932      1.167586
  C     -10.289628      4.188627     -0.326340
  C      -9.736688      3.092769      0.545120
  O      -9.801584      1.910726      0.203874
  C      -9.094295      3.463838      1.844080
  C      -8.870629      4.798847      2.219600
  C      -8.255130      5.097731      3.432789
  C      -7.843601      4.051460      4.249146
  F      -7.267831      4.356366      5.437145
  C      -8.033073      2.705372      3.906927
  C      -7.568977      1.580372      4.790829
  O      -8.317131      0.657897      5.103590
  N      -6.224502      1.656923      5.120575
  C      -5.814813      1.431827      6.341858
  C      -8.691826      2.436228      2.708322
  H      -8.035446      0.984035     -0.835585
  H      -6.574391      1.140530     -1.863317
  H      -7.216269     -0.478132     -1.399457
  H      -8.582853     -0.670712      0.675720
  H      -9.134588     -2.050941      2.675924
  H      -2.356921     -1.986217      5.382498
  H      -4.608199     -0.057076      2.241033
  H      -9.247167      9.877538     -0.112438
  H      -7.840409     10.123611     -1.156552
  H      -9.234011      9.155677     -1.749639
  H      -7.402654     10.322628      1.279841
  H      -5.838428     10.345322      3.220355
  H      -5.008814      3.552609      3.530162
  H      -6.441686      6.179326      0.588575
  H     -10.716081      3.749681     -1.234222
  H      -9.509532      4.917833     -0.594872
  H     -11.070428      4.747389      0.213218
  H      -9.169742      5.615748      1.563005
  H      -8.085638      6.126264      3.751100
  H      -6.515902      1.367796      7.190521
  H      -8.887978      1.402134      2.426727
  N      -3.244273      1.931773      3.087374
  N      -3.499654      2.559799      1.865919
  H      -4.207496      1.986983      1.285438
  H      -2.625591      2.620964      1.321167
  H      -3.923977      3.604892      1.925282
91
Coordinates from ORCA-job orca E -6725.229972335923
  N      -1.867171      0.089268      5.164129
  Mo     -3.331753      1.531579      4.822752
  N      -4.493532      1.358912      6.568748
  C      -3.967815      1.667994      7.895656
  C      -2.448012      1.642090      7.819876
  N      -1.924909      2.253392      6.553647
  C      -0.554859      1.720869      6.265678
  C      -0.626677      0.242106      5.894223
  C      -1.864370      3.747451      6.587360
  C      -3.200615      4.378660      6.243744
  N      -3.792836      3.631750      5.143648
  H       0.239916     -0.014158      5.264526
  H      -0.605629     -0.421527      6.772801
  H      -0.172856      2.291428      5.409786
  H       0.114347      1.895685      7.123573
  H      -3.894640      4.359662      7.099196
  H      -3.056354      5.434368      5.968873
  H      -1.491520      4.085750      7.567305
  H      -1.133621      4.043763      5.823092
  H      -4.295239      0.923547      8.641161
  H      -4.330727      2.649683      8.241277
  H      -2.115234      0.597382      7.827562
  H      -1.994299      2.147990      8.686917
  C      -7.035231      0.575665     -1.070526
  C      -6.180778      0.606340      0.158528
  O      -5.180642      1.346012      0.189300
  C      -6.546861     -0.243504      1.315282
  C      -7.820236     -0.837125      1.424672
  C      -8.145539     -1.609324      2.532370
  C      -7.187141     -1.822777      3.520121
  F      -7.526103     -2.565041      4.578544
  C      -5.896586     -1.268130      3.437474
  C      -4.826848     -1.602193      4.413626
  O      -4.765372     -2.669684      5.011102
  N      -3.814057     -0.631157      4.537256
  C      -2.638513     -0.975679      5.067828
  C      -5.609708     -0.468274      2.329720
  C      -8.621647      9.385175     -0.884756
  C      -8.004427      8.119825     -0.342345
  O      -8.284047      7.020859     -0.818157
  C      -7.046043      8.223835      0.801864
  C      -6.870882      9.405616      1.541958
  C      -6.008745      9.431385      2.633779
  C      -5.326445      8.271659      2.991594
  F      -4.490825      8.342567      4.045179
  C      -5.460444      7.073563      2.269053
  C      -4.816710      5.782257      2.630077
  O      -4.566734      4.963425      1.689196
  N      -4.562952      5.537649      3.938283
  C      -4.460555      4.236995      4.185542
  C      -6.319421      7.086038      1.164822
  C     -10.288910      4.190464     -0.319632
  C      -9.735743      3.093977      0.550998
  O      -9.797337      1.912539      0.207003
  C      -9.095692      3.463395      1.851618
  C      -8.873510      4.798111      2.229483
  C      -8.259190      5.095553      3.443541
  C      -7.848081      4.048030      4.258622
  F      -7.272749      4.351465      5.447297
  C      -8.036417      2.702464      3.914574
  C      -7.570716      1.577030      4.797192
  O      -8.318038      0.654364      5.111151
  N      -6.225630      1.654029      5.124686
  C      -5.812871      1.434135      6.345571
  C      -8.693565      2.434785      2.714556
  H      -8.024340      1.005847     -0.837696
  H      -6.561666      1.163534     -1.863194
  H      -7.209476     -0.455556     -1.409657
  H      -8.576600     -0.660375      0.660348
  H      -9.136650     -2.045383      2.654568
  H      -2.374266     -1.994935      5.384670
  H      -4.609294     -0.048826      2.245153
  H      -9.255084      9.862929     -0.120932
  H      -7.845782     10.114969     -1.160193
  H      -9.234713      9.143672     -1.759123
  H      -7.413317     10.312675      1.274815
  H      -5.853589     10.338014      3.218867
  H      -5.014270      3.546248      3.537759
  H      -6.443243      6.171540      0.585195
  H     -10.716083      3.751433     -1.227175
  H      -9.508278      4.918710     -0.589135
  H     -11.069084      4.749435      0.220466
  H      -9.172778      5.615212      1.573202
  H      -8.090243      6.123573      3.763709
  H      -6.512086      1.373311      7.196069
  H      -8.888017      1.400981      2.430976
  N      -3.234942      1.931953      3.092101
  N      -3.487835      2.564371      1.872635
  H      -4.193490      1.992793      1.289295
  H      -2.612724      2.628397      1.330010
  H      -3.917404      3.609924      1.930796
91
Coordinates from ORCA-job orca E -6725.229996357476
  N      -1.870376      0.078963      5.174414
  Mo     -3.325394      1.528473      4.827783
  N      -4.492212      1.360725      6.569961
  C      -3.967971      1.678256      7.895465
  C      -2.448089      1.650540      7.822406
  N      -1.921328      2.251364      6.552058
  C      -0.553054      1.710443      6.269536
  C      -0.631188      0.229679      5.906919
  C      -1.854131      3.745573      6.576347
  C      -3.189515      4.380794      6.236592
  N      -3.791819      3.629948      5.144786
  H       0.236014     -0.034398      5.281248
  H      -0.615326     -0.428828      6.789489
  H      -0.166807      2.273967      5.410875
  H       0.115196      1.887357      7.127702
  H      -3.878063      4.371172      7.096661
  H      -3.041599      5.434144      5.954490
  H      -1.474790      4.088007      7.552378
  H      -1.125667      4.033959      5.806836
  H      -4.296751      0.938873      8.645437
  H      -4.330548      2.662398      8.234368
  H      -2.115893      0.605775      7.839251
  H      -1.995479      2.163373      8.685877
  C      -7.025205      0.603256     -1.070749
  C      -6.169646      0.622525      0.157846
  O      -5.163230      1.353392      0.190707
  C      -6.540727     -0.231053      1.310208
  C      -7.814923     -0.823917      1.413396
  C      -8.144691     -1.600045      2.516957
  C      -7.190265     -1.817649      3.507556
  F      -7.534014     -2.563195      4.562010
  C      -5.898972     -1.263495      3.431464
  C      -4.834041     -1.599896      4.411575
  O      -4.777135     -2.666956      5.010150
  N      -3.818459     -0.631357      4.538890
  C      -2.645833     -0.982341      5.072499
  C      -5.607424     -0.460461      2.327168
  C      -8.629121      9.367461     -0.890072
  C      -8.006646      8.103959     -0.349233
  O      -8.280276      7.004722     -0.827880
  C      -7.049738      8.210367      0.796059
  C      -6.877419      9.392982      1.535531
  C      -6.015781      9.421081      2.627708
  C      -5.331592      8.262846      2.986632
  F      -4.495988      8.336567      4.040229
  C      -5.463602      7.063779      2.265372
  C      -4.818190      5.774056      2.628946
  O      -4.563453      4.954745      1.689141
  N      -4.568981      5.531240      3.937381
  C      -4.462292      4.230947      4.186423
  C      -6.321428      7.074072      1.160394
  C     -10.299358      4.198007     -0.308133
  C      -9.743460      3.099412      0.558392
  O      -9.802756      1.919171      0.210268
  C      -9.102352      3.465910      1.859419
  C      -8.882198      4.800036      2.240869
  C      -8.265708      5.095205      3.454035
  C      -7.851368      4.045876      4.265406
  F      -7.272645      4.347458      5.453167
  C      -8.038527      2.701060      3.918710
  C      -7.570968      1.573804      4.797811
  O      -8.316338      0.648118      5.107452
  N      -6.225976      1.651159      5.125209
  C      -5.811896      1.436236      6.346007
  C      -8.696760      2.435601      2.718464
  H      -8.013496      1.032867     -0.833577
  H      -6.551310      1.197220     -1.858756
  H      -7.200675     -0.424772     -1.418894
  H      -8.569019     -0.644125      0.647572
  H      -9.136672     -2.035644      2.633643
  H      -2.387549     -2.003857      5.386906
  H      -4.606438     -0.041264      2.248384
  H      -9.266523      9.840443     -0.126584
  H      -7.856239     10.101614     -1.162305
  H      -9.239197      9.124730     -1.766182
  H      -7.421684     10.298722      1.267678
  H      -5.862349     10.328346      3.212261
  H      -5.015433      3.536911      3.541471
  H      -6.443480      6.159221      0.580926
  H     -10.735275      3.759925     -1.211994
  H      -9.515825      4.920469     -0.585133
  H     -11.071800      4.762559      0.236882
  H      -9.185347      5.617311      1.586554
  H      -8.097257      6.122223      3.777475
  H      -6.510153      1.379544      7.197625
  H      -8.889386      1.402173      2.432291
  N      -3.221297      1.930697      3.097758
  N      -3.470677      2.566672      1.879536
  H      -4.173265      1.995146      1.293096
  H      -2.593795      2.633888      1.340345
  H      -3.907288      3.612141      1.935862
91
Coordinates from ORCA-job orca E -6725.230019019259
  N      -1.873571      0.072047      5.182534
  Mo     -3.322667      1.526008      4.834136
  N      -4.493570      1.362407      6.572634
  C      -3.970098      1.688566      7.896473
  C      -2.450191      1.658860      7.825283
  N      -1.920717      2.251187      6.551497
  C      -0.553633      1.704029      6.273111
  C      -0.635876      0.221717      5.917652
  C      -1.848256      3.745547      6.567896
  C      -3.182831      4.384209      6.230533
  N      -3.794474      3.628636      5.147186
  H       0.232329     -0.048102      5.295767
  H      -0.624305     -0.432669      6.803365
  H      -0.164615      2.262041      5.412111
  H       0.114074      1.883117      7.131211
  H      -3.866126      4.383958      7.094876
  H      -3.031692      5.435028      5.940752
  H      -1.464358      4.091314      7.540971
  H      -1.121085      4.027294      5.794701
  H      -4.299881      0.954359      8.651112
  H      -4.332025      2.675165      8.228813
  H      -2.119042      0.613884      7.849168
  H      -1.997984      2.176907      8.685804
  C      -7.016557      0.626805     -1.070338
  C      -6.159394      0.635365      0.157284
  O      -5.148817      1.360125      0.193265
  C      -6.535269     -0.221672      1.305636
  C      -7.810108     -0.814142      1.403541
  C      -8.143099     -1.594202      2.503486
  C      -7.191561     -1.815161      3.496163
  F      -7.538102     -2.564782      4.546838
  C      -5.899993     -1.260943      3.425452
  C      -4.838147     -1.599903      4.407465
  O      -4.784172     -2.667076      5.005808
  N      -3.822109     -0.631790      4.539782
  C      -2.651231     -0.987127      5.074298
  C      -5.605193     -0.454814      2.324493
  C      -8.641656      9.358317     -0.884135
  C      -8.014961      8.095146     -0.347245
  O      -8.290554      6.995908     -0.824763
  C      -7.052510      8.202040      0.793450
  C      -6.873433      9.386197      1.528485
  C      -6.005665      9.415621      2.615879
  C      -5.322536      8.256732      2.974426
  F      -4.480154      8.331309      4.022599
  C      -5.462217      7.055634      2.258045
  C      -4.818723      5.765723      2.624463
  O      -4.561405      4.945005      1.685978
  N      -4.573739      5.525153      3.933477
  C      -4.466224      4.225260      4.187585
  C      -6.325521      7.064644      1.157645
  C     -10.306684      4.198691     -0.300732
  C      -9.749425      3.098582      0.563200
  O      -9.805024      1.919273      0.211553
  C      -9.107345      3.463728      1.864104
  C      -8.886205      4.797671      2.246024
  C      -8.268248      5.091817      3.458390
  C      -7.853961      4.041668      4.268931
  F      -7.275006      4.342768      5.456766
  C      -8.041946      2.697238      3.922068
  C      -7.574370      1.568830      4.799732
  O      -8.318458      0.640579      5.104650
  N      -6.229834      1.646232      5.128202
  C      -5.813874      1.437335      6.348832
  C      -8.701270      2.432780      2.721910
  H      -8.007610      1.045968     -0.827142
  H      -6.547600      1.233047     -1.851926
  H      -7.184076     -0.398376     -1.430908
  H      -8.562437     -0.632043      0.636554
  H      -9.135477     -2.030064      2.615479
  H      -2.396016     -2.010380      5.385543
  H      -4.603595     -0.036332      2.249739
  H      -9.276664      9.829161     -0.117322
  H      -7.871323     10.094180     -1.158898
  H      -9.255039      9.115411     -1.757879
  H      -7.417164     10.292342      1.260878
  H      -5.846450     10.324334      3.196599
  H      -5.020513      3.527849      3.547158
  H      -6.453600      6.148646      0.581440
  H     -10.754359      3.761022     -1.199064
  H      -9.517205      4.910761     -0.588509
  H     -11.067463      4.774496      0.248345
  H      -9.189625      5.614471      1.591288
  H      -8.098112      6.118140      3.782968
  H      -6.510507      1.385250      7.202127
  H      -8.894178      1.399667      2.435045
  N      -3.211834      1.930401      3.104611
  N      -3.458709      2.569929      1.887651
  H      -4.157418      1.997918      1.297519
  H      -2.579942      2.641402      1.352336
  H      -3.903389      3.615130      1.943191
91
Coordinates from ORCA-job orca E -6725.230032552133
  N      -1.876563      0.067829      5.186913
  Mo     -3.321726      1.524380      4.838820
  N      -4.493975      1.364569      6.575272
  C      -3.970048      1.697965      7.897222
  C      -2.450239      1.666473      7.826303
  N      -1.919799      2.252260      6.549513
  C      -0.553875      1.700140      6.273326
  C      -0.639711      0.216531      5.923550
  C      -1.843515      3.746686      6.559829
  C      -3.178012      4.387416      6.224841
  N      -3.796830      3.627452      5.148620
  H       0.228894     -0.058256      5.304390
  H      -0.631438     -0.434301      6.811950
  H      -0.163213      2.253561      5.410089
  H       0.114043      1.881076      7.130849
  H      -3.856771      4.394384      7.092761
  H      -3.025293      5.436143      5.928330
  H      -1.455527      4.094860      7.530417
  H      -1.117986      4.023428      5.783323
  H      -4.300249      0.968335      8.656135
  H      -4.331217      2.686658      8.224110
  H      -2.120328      0.621215      7.855040
  H      -1.997458      2.188106      8.684319
  C      -7.008281      0.640787     -1.073118
  C      -6.149844      0.642196      0.153669
  O      -5.133159      1.358148      0.189524
  C      -6.530513     -0.215201      1.300442
  C      -7.806506     -0.805570      1.395038
  C      -8.142667     -1.587094      2.493066
  C      -7.193434     -1.810870      3.487180
  F      -7.543251     -2.561858      4.535792
  C      -5.901020     -1.258076      3.420453
  C      -4.841811     -1.599807      4.404356
  O      -4.788332     -2.668817      4.999227
  N      -3.825698     -0.631870      4.540975
  C      -2.655068     -0.990203      5.073830
  C      -5.602864     -0.451053      2.321044
  C      -8.639269      9.356187     -0.884834
  C      -8.011771      8.092808     -0.349302
  O      -8.286092      6.994047     -0.828597
  C      -7.050312      8.199048      0.792267
  C      -6.869181      9.383622      1.526077
  C      -6.001497      9.412823      2.613657
  C      -5.320812      8.253081      2.973805
  F      -4.477901      8.326851      4.021621
  C      -5.463234      7.051326      2.259020
  C      -4.822578      5.760887      2.627622
  O      -4.564828      4.938713      1.690181
  N      -4.579741      5.520855      3.936357
  C      -4.471683      4.220432      4.189206
  C      -6.325922      7.060474      1.158331
  C     -10.320752      4.191094     -0.291639
  C      -9.754611      3.092398      0.568302
  O      -9.803918      1.913513      0.214541
  C      -9.113317      3.459148      1.869152
  C      -8.894107      4.793636      2.250374
  C      -8.274690      5.089202      3.461503
  C      -7.857858      4.040076      4.272218
  F      -7.278078      4.342805      5.459303
  C      -8.045066      2.695212      3.926594
  C      -7.576817      1.566673      4.803689
  O      -8.319731      0.636394      5.105337
  N      -6.232906      1.644630      5.132858
  C      -5.814787      1.440067      6.352880
  C      -8.704880      2.429179      2.727107
  H      -8.001810      1.051356     -0.826712
  H      -6.543080      1.255018     -1.850738
  H      -7.168492     -0.383120     -1.441035
  H      -8.557344     -0.621602      0.627075
  H      -9.135897     -2.021773      2.602033
  H      -2.400179     -2.014533      5.381853
  H      -4.600337     -0.034404      2.248436
  H      -9.275911      9.824253     -0.117665
  H      -7.870093     10.093974     -1.157487
  H      -9.251180      9.113906     -1.759797
  H      -7.410930     10.290546      1.257074
  H      -5.840199     10.322002      3.193080
  H      -5.026442      3.520945      3.551169
  H      -6.455485      6.144058      0.582842
  H     -10.777273      3.752481     -1.185029
  H      -9.530981      4.899317     -0.588795
  H     -11.073810      4.772049      0.262269
  H      -9.199466      5.609404      1.595226
  H      -8.104803      6.115684      3.785923
  H      -6.509387      1.392180      7.208111
  H      -8.896425      1.395677      2.440569
  N      -3.205649      1.929387      3.109229
  N      -3.451420      2.568531      1.891735
  H      -4.144840      1.993414      1.298599
  H      -2.570781      2.643814      1.360101
  H      -3.903761      3.613040      1.944008
91
Coordinates from ORCA-job orca E -6725.230045964830
  N      -1.879506      0.064527      5.188436
  Mo     -3.321651      1.523854      4.842890
  N      -4.493536      1.365605      6.578984
  C      -3.968099      1.703477      7.899430
  C      -2.448397      1.669459      7.827886
  N      -1.917305      2.251082      6.549332
  C      -0.552837      1.694405      6.273496
  C      -0.642867      0.210394      5.926045
  C      -1.836568      3.745399      6.556188
  C      -3.170508      4.389617      6.224551
  N      -3.796834      3.627665      5.153909
  H       0.225563     -0.068250      5.308372
  H      -0.637712     -0.438827      6.815646
  H      -0.160903      2.245400      5.409292
  H       0.115670      1.874947      7.130609
  H      -3.845150      4.402290      7.095608
  H      -3.015415      5.436615      5.923325
  H      -1.443986      4.094203      7.524691
  H      -1.112931      4.017952      5.776442
  H      -4.298975      0.977369      8.661412
  H      -4.327781      2.693911      8.222607
  H      -2.120471      0.623624      7.858846
  H      -1.994172      2.192242      8.684424
  C      -7.000359      0.648089     -1.080342
  C      -6.144324      0.649031      0.148101
  O      -5.125117      1.361189      0.184634
  C      -6.528773     -0.207427      1.294605
  C      -7.806042     -0.795312      1.387186
  C      -8.145040     -1.576663      2.484629
  C      -7.197331     -1.802919      3.479577
  F      -7.549557     -2.553885      4.527468
  C      -5.903918     -1.252275      3.415007
  C      -4.846141     -1.597547      4.399380
  O      -4.794260     -2.668585      4.990666
  N      -3.829364     -0.630996      4.540374
  C      -2.659312     -0.992485      5.071503
  C      -5.602854     -0.445274      2.316382
  C      -8.642942      9.348481     -0.887674
  C      -8.015609      8.085515     -0.350997
  O      -8.291992      6.986092     -0.827515
  C      -7.053516      8.192809      0.789893
  C      -6.870437      9.378490      1.521242
  C      -6.002171      9.408899      2.608368
  C      -5.322814      8.249039      2.970472
  F      -4.479497      8.322936      4.017822
  C      -5.466951      7.046136      2.257943
  C      -4.827595      5.755987      2.629216
  O      -4.573780      4.930660      1.692908
  N      -4.581954      5.518853      3.937571
  C      -4.474963      4.218913      4.195998
  C      -6.330338      7.053951      1.157844
  C     -10.318015      4.187763     -0.288343
  C      -9.751716      3.090140      0.572633
  O      -9.797049      1.911298      0.218103
  C      -9.112790      3.458029      1.874294
  C      -8.893638      4.792673      2.254821
  C      -8.276217      5.088778      3.466979
  C      -7.860700      4.040227      4.279079
  F      -7.281883      4.343272      5.466414
  C      -8.047293      2.695171      3.933579
  C      -7.578739      1.566086      4.810211
  O      -8.321402      0.635161      5.110507
  N      -6.235025      1.644306      5.139011
  C      -5.814759      1.441480      6.358508
  C      -8.705709      2.428559      2.733637
  H      -7.995651      1.055071     -0.835858
  H      -6.535102      1.263668     -1.856758
  H      -7.156220     -0.376379     -1.448925
  H      -8.555590     -0.609220      0.618522
  H      -9.139206     -2.009582      2.592225
  H      -2.405228     -2.018021      5.376150
  H      -4.599339     -0.030782      2.244540
  H      -9.277892      9.818007     -0.119955
  H      -7.874053     10.085493     -1.163048
  H      -9.256552      9.105189     -1.761180
  H      -7.411075     10.285589      1.250561
  H      -5.839558     10.319112      3.185799
  H      -5.032983      3.518370      3.561953
  H      -6.461285      6.136498      0.584447
  H     -10.774604      3.748811     -1.181494
  H      -9.527330      4.894872     -0.586078
  H     -11.070289      4.770741      0.264465
  H      -9.197339      5.608758      1.599361
  H      -8.106644      6.115553      3.790554
  H      -6.507679      1.395721      7.215246
  H      -8.897036      1.395027      2.447077
  N      -3.204063      1.931380      3.113669
  N      -3.451945      2.573406      1.898479
  H      -4.142962      1.998112      1.302933
  H      -2.571355      2.653066      1.367365
  H      -3.908362      3.618340      1.952938
91
Coordinates from ORCA-job orca E -6725.230055721227
  N      -1.884068      0.060752      5.189656
  Mo     -3.322615      1.523259      4.845968
  N      -4.492230      1.366446      6.583485
  C      -3.964667      1.710307      7.901729
  C      -2.445159      1.674383      7.828499
  N      -1.914481      2.250364      6.547134
  C      -0.551933      1.688368      6.271248
  C      -0.647232      0.203689      5.927571
  C      -1.828946      3.744521      6.548556
  C      -3.162514      4.392117      6.221510
  N      -3.797539      3.627942      5.157333
  H       0.220495     -0.079940      5.311196
  H      -0.645076     -0.442943      6.819077
  H      -0.159044      2.235905      5.405275
  H       0.117778      1.869039      7.127362
  H      -3.832141      4.410813      7.096291
  H      -3.005282      5.437240      5.914945
  H      -1.429943      4.095035      7.513792
  H      -1.108598      4.011777      5.763918
  H      -4.295457      0.988428      8.667747
  H      -4.323267      2.702621      8.220246
  H      -2.118930      0.628101      7.862702
  H      -1.988994      2.199454      8.682568
  C      -6.990525      0.656234     -1.089525
  C      -6.138913      0.656629      0.142045
  O      -5.119853      1.368876      0.182559
  C      -6.527482     -0.199236      1.287739
  C      -7.805807     -0.785293      1.377387
  C      -8.148145     -1.566271      2.474168
  C      -7.202789     -1.793848      3.471000
  F      -7.557570     -2.545210      4.517809
  C      -5.908500     -1.245047      3.409201
  C      -4.852614     -1.594227      4.394293
  O      -4.803706     -2.666933      4.982825
  N      -3.834573     -0.629922      4.539774
  C      -2.665140     -0.995014      5.069786
  C      -5.603846     -0.438546      2.311293
  C      -8.640658      9.342152     -0.894873
  C      -8.017958      8.079471     -0.352284
  O      -8.296173      6.979020     -0.825377
  C      -7.056315      8.188397      0.788739
  C      -6.872942      9.375354      1.517980
  C      -6.006080      9.407245      2.606154
  C      -5.328044      8.247608      2.971299
  F      -4.486435      8.322252      4.019860
  C      -5.471624      7.043647      2.260277
  C      -4.832853      5.754012      2.633978
  O      -4.580630      4.926987      1.697987
  N      -4.585469      5.517969      3.941667
  C      -4.479939      4.218091      4.202056
  C      -6.334036      7.049799      1.159277
  C     -10.312840      4.180115     -0.284309
  C      -9.746374      3.083986      0.578118
  O      -9.787650      1.905058      0.223051
  C      -9.111437      3.453157      1.881322
  C      -8.891864      4.787956      2.260430
  C      -8.277065      5.085189      3.473936
  C      -7.864424      4.037723      4.288638
  F      -7.287814      4.341204      5.476782
  C      -8.051401      2.692343      3.944166
  C      -7.583115      1.564106      4.822472
  O      -8.326299      0.634386      5.125114
  N      -6.238794      1.641981      5.148145
  C      -5.814268      1.441534      6.366490
  C      -8.707406      2.424511      2.743417
  H      -7.987397      1.061849     -0.849186
  H      -6.522351      1.271520     -1.864363
  H      -7.144281     -0.368637     -1.458097
  H      -8.553366     -0.596877      0.607431
  H      -9.143021     -1.998031      2.579889
  H      -2.412379     -2.021701      5.371587
  H      -4.599423     -0.026043      2.240775
  H      -9.274195      9.817115     -0.129328
  H      -7.869350     10.075477     -1.173362
  H      -9.254785      9.097161     -1.767543
  H      -7.412406     10.282417      1.244858
  H      -5.843821     10.318454      3.182119
  H      -5.042041      3.517641      3.571476
  H      -6.464814      6.131130      0.587780
  H     -10.764746      3.740897     -1.179681
  H      -9.524043      4.890961     -0.578152
  H     -11.069193      4.759867      0.266477
  H      -9.192212      5.604478      1.603990
  H      -8.107269      6.112630      3.795349
  H      -6.504449      1.397755      7.225561
  H      -8.898991      1.390865      2.457603
  N      -3.204299      1.932956      3.117075
  N      -3.454698      2.576937      1.903924
  H      -4.142280      2.000536      1.305497
  H      -2.574248      2.662211      1.373305
  H      -3.916322      3.621712      1.959446
91
Coordinates from ORCA-job orca E -6725.230061350483
  N      -1.887988      0.053731      5.193441
  Mo     -3.320227      1.521172      4.849509
  N      -4.489556      1.367183      6.587069
  C      -3.961030      1.717799      7.903250
  C      -2.441686      1.679436      7.830133
  N      -1.909588      2.247585      6.545678
  C      -0.549448      1.678354      6.271467
  C      -0.651515      0.192910      5.932706
  C      -1.817641      3.741469      6.540259
  C      -3.150117      4.393762      6.217574
  N      -3.794905      3.627234      5.160733
  H       0.215792     -0.097262      5.318789
  H      -0.653910     -0.450316      6.826686
  H      -0.154098      2.221240      5.403673
  H       0.120823      1.858930      7.127130
  H      -3.814503      4.420617      7.096152
  H      -2.989277      5.436477      5.904656
  H      -1.411809      4.094184      7.501839
  H      -1.100248      4.002045      5.750639
  H      -4.292914      1.000958      8.673511
  H      -4.318420      2.712439      8.215745
  H      -2.117239      0.632783      7.870037
  H      -1.984513      2.208279      8.681305
  C      -6.980367      0.671114     -1.096362
  C      -6.130411      0.665880      0.136428
  O      -5.108101      1.373359      0.179060
  C      -6.524173     -0.188952      1.281125
  C      -7.803961     -0.772211      1.367235
  C      -8.150348     -1.554150      2.462068
  C      -7.207954     -1.784916      3.460869
  F      -7.566290     -2.537530      4.505452
  C      -5.912651     -1.237880      3.403133
  C      -4.859662     -1.590908      4.389953
  O      -4.814021     -2.665492      4.975416
  N      -3.839417     -0.629690      4.539994
  C      -2.671565     -0.999904      5.069652
  C      -5.603483     -0.431028      2.306789
  C      -8.636584      9.330653     -0.909460
  C      -8.015757      8.068865     -0.362715
  O      -8.290735      6.967804     -0.836284
  C      -7.060480      8.179351      0.783419
  C      -6.883583      9.366474      1.514205
  C      -6.022960      9.399530      2.607171
  C      -5.344478      8.241185      2.975603
  F      -4.509548      8.317249      4.029356
  C      -5.481108      7.037272      2.262984
  C      -4.841085      5.748941      2.638865
  O      -4.589414      4.920587      1.703090
  N      -4.591379      5.514760      3.945648
  C      -4.482583      4.215448      4.208167
  C      -6.337682      7.042257      1.157222
  C     -10.316208      4.179264     -0.275047
  C      -9.745074      3.084322      0.585579
  O      -9.781921      1.905719      0.228698
  C      -9.112000      3.453678      1.889627
  C      -8.893026      4.788440      2.268741
  C      -8.278474      5.085993      3.482549
  C      -7.865784      4.038874      4.297484
  F      -7.289175      4.342253      5.485521
  C      -8.053032      2.693367      3.953244
  C      -7.584069      1.564912      4.831169
  O      -8.327533      0.635901      5.135270
  N      -6.239196      1.642181      5.154344
  C      -5.812014      1.443433      6.371915
  C      -8.708342      2.425237      2.752340
  H      -7.976459      1.079411     -0.857421
  H      -6.508069      1.285476     -1.869344
  H      -7.137182     -0.352767     -1.466582
  H      -8.549261     -0.580466      0.595949
  H      -9.146206     -1.984422      2.564804
  H      -2.421531     -2.028115      5.368366
  H      -4.597934     -0.020882      2.238947
  H      -9.273558      9.806304     -0.147199
  H      -7.864326     10.063943     -1.185422
  H      -9.246834      9.084521     -1.784525
  H      -7.423212     10.272654      1.238542
  H      -5.866158     10.310781      3.184592
  H      -5.047590      3.513861      3.581223
  H      -6.463173      6.123596      0.584609
  H     -10.765703      3.739895     -1.171526
  H      -9.531688      4.895570     -0.567018
  H     -11.075935      4.753431      0.277124
  H      -9.193202      5.605683      1.613070
  H      -8.109399      6.113932      3.803078
  H      -6.500419      1.402243      7.232566
  H      -8.899781      1.391506      2.466696
  N      -3.198158      1.933299      3.121168
  N      -3.449873      2.579525      1.910031
  H      -4.133306      2.002233      1.308169
  H      -2.569278      2.670545      1.380482
  H      -3.917716      3.623998      1.965223
91
Coordinates from ORCA-job orca E -6725.230065646257
  N      -1.890266      0.051037      5.195611
  Mo     -3.319820      1.520422      4.851377
  N      -4.488921      1.367616      6.588968
  C      -3.960330      1.723836      7.903681
  C      -2.441054      1.684292      7.831143
  N      -1.907927      2.247364      6.544815
  C      -0.549026      1.674351      6.271943
  C      -0.654331      0.188560      5.936168
  C      -1.812615      3.741022      6.534885
  C      -3.144172      4.395859      6.213677
  N      -3.794369      3.627256      5.161538
  H       0.213132     -0.105118      5.324132
  H      -0.659517     -0.452586      6.831636
  H      -0.152297      2.214472      5.403045
  H       0.121431      1.855194      7.127389
  H      -3.805848      4.428262      7.094131
  H      -2.980934      5.436901      5.896384
  H      -1.403591      4.095498      7.494471
  H      -1.096441      3.997684      5.742868
  H      -4.292833      1.010709      8.677111
  H      -4.317372      2.720085      8.211347
  H      -2.117334      0.637547      7.875202
  H      -1.983813      2.215995      8.680494
  C      -6.976118      0.682388     -1.099220
  C      -6.127204      0.673912      0.134406
  O      -5.103621      1.379542      0.178554
  C      -6.522769     -0.181903      1.277626
  C      -7.802853     -0.764686      1.361424
  C      -8.150877     -1.548275      2.454523
  C      -7.209833     -1.781176      3.454053
  F      -7.569752     -2.535366      4.496894
  C      -5.914233     -1.234428      3.398780
  C      -4.862510     -1.589672      4.386167
  O      -4.818055     -2.665509      4.969487
  N      -3.841698     -0.629518      4.539471
  C      -2.674426     -1.001890      5.069097
  C      -5.603295     -0.426072      2.304030
  C      -8.632656      9.325141     -0.915788
  C      -8.013056      8.063841     -0.366569
  O      -8.286613      6.962376     -0.840021
  C      -7.059459      8.175358      0.780902
  C      -6.885139      9.362688      1.512095
  C      -6.026671      9.396439      2.606688
  C      -5.347653      8.238780      2.976293
  F      -4.515223      8.315893      4.031982
  C      -5.481536      7.034786      2.263228
  C      -4.841491      5.746963      2.640536
  O      -4.589785      4.917491      1.705254
  N      -4.591912      5.513601      3.946984
  C      -4.484196      4.214287      4.210151
  C      -6.336152      7.039059      1.155826
  C     -10.318679      4.175984     -0.269683
  C      -9.748348      3.080860      0.591249
  O      -9.785430      1.902254      0.234400
  C      -9.115674      3.450011      1.895536
  C      -8.896793      4.784711      2.274840
  C      -8.281781      5.082339      3.488441
  C      -7.868560      4.035179      4.302976
  F      -7.290598      4.338294      5.490470
  C      -8.055797      2.689710      3.958623
  C      -7.585589      1.561416      4.836007
  O      -8.328351      0.632148      5.140951
  N      -6.240340      1.639185      5.157339
  C      -5.811681      1.442879      6.374635
  C      -8.711566      2.421519      2.758002
  H      -7.972265      1.091068     -0.861215
  H      -6.501843      1.297766     -1.870208
  H      -7.133645     -0.340554     -1.471778
  H      -8.547283     -0.570725      0.589846
  H      -9.147044     -1.978290      2.555379
  H      -2.425458     -2.030825      5.366096
  H      -4.597445     -0.016385      2.238116
  H      -9.271196      9.801763     -0.155450
  H      -7.859550     10.057965     -1.190699
  H      -9.241097      9.078301     -1.791904
  H      -7.425249     10.268330      1.235627
  H      -5.872117     10.307727      3.184655
  H      -5.051487      3.512306      3.585528
  H      -6.459768      6.120185      0.583101
  H     -10.767339      3.736751     -1.166648
  H      -9.534628      4.893083     -0.560859
  H     -11.079314      4.749028      0.282495
  H      -9.197433      5.602162      1.619640
  H      -8.112831      6.110404      3.808685
  H      -6.499234      1.403057      7.236052
  H      -8.902728      1.387708      2.472414
  N      -3.195524      1.933928      3.123432
  N      -3.448051      2.581517      1.913514
  H      -4.130506      2.004269      1.310712
  H      -2.567781      2.674579      1.383763
  H      -3.918558      3.626490      1.968157
91
Coordinates from ORCA-job orca E -6725.230067728085
  N      -1.893767      0.045726      5.200310
  Mo     -3.318510      1.518603      4.854176
  N      -4.487759      1.368030      6.591509
  C      -3.959191      1.732612      7.904011
  C      -2.439957      1.691865      7.832369
  N      -1.905577      2.246862      6.542860
  C      -0.548461      1.668098      6.272520
  C      -0.658673      0.181399      5.942592
  C      -1.805568      3.740239      6.525601
  C      -3.136244      4.398330      6.207335
  N      -3.794543      3.626703      5.162349
  H       0.208952     -0.117953      5.333511
  H      -0.667836     -0.456033      6.840697
  H      -0.149612      2.203340      5.401571
  H       0.122262      1.850069      7.127497
  H      -3.793342      4.438329      7.090924
  H      -2.970205      5.437066      5.883922
  H      -1.391412      4.097769      7.481879
  H      -1.091644      3.990940      5.729641
  H      -4.292275      1.024796      8.682061
  H      -4.315863      2.731073      8.204791
  H      -2.116630      0.645276      7.883296
  H      -1.982890      2.228751      8.678535
  C      -6.970288      0.696425     -1.101635
  C      -6.122171      0.682626      0.132576
  O      -5.096388      1.384971      0.178564
  C      -6.520495     -0.174667      1.273524
  C      -7.801042     -0.756858      1.353964
  C      -8.151639     -1.542307      2.444879
  C      -7.212761     -1.777580      3.445912
  F      -7.575112     -2.533655      4.486445
  C      -5.916791     -1.231200      3.394107
  C      -4.867345     -1.588442      4.382950
  O      -4.825039     -2.664932      4.965241
  N      -3.845432     -0.629726      4.539612
  C      -2.679436     -1.005539      5.070177
  C      -5.603214     -0.421239      2.301337
  C      -8.633048      9.319766     -0.920480
  C      -8.013739      8.058624     -0.370601
  O      -8.286181      6.957134     -0.844638
  C      -7.061777      8.170292      0.778291
  C      -6.889443      9.357517      1.510170
  C      -6.032558      9.391324      2.605985
  C      -5.353241      8.233984      2.976098
  F      -4.522266      8.311863      4.032942
  C      -5.485370      7.030091      2.262561
  C      -4.845502      5.742631      2.641067
  O      -4.593226      4.912214      1.706188
  N      -4.596580      5.510274      3.947175
  C      -4.487836      4.211209      4.212357
  C      -6.338425      7.034335      1.153930
  C     -10.316492      4.175217     -0.264991
  C      -9.748670      3.079169      0.596594
  O      -9.787246      1.900582      0.239906
  C      -9.116878      3.447464      1.901545
  C      -8.897390      4.781969      2.281254
  C      -8.282634      5.079172      3.495018
  C      -7.870207      4.031519      4.309336
  F      -7.292139      4.334102      5.497059
  C      -8.057953      2.686248      3.964723
  C      -7.587341      1.557874      4.841735
  O      -8.329795      0.628714      5.147507
  N      -6.241480      1.635126      5.160952
  C      -5.810978      1.442632      6.377996
  C      -8.713641      2.418573      2.763849
  H      -7.965886      1.106282     -0.863493
  H      -6.493791      1.313498     -1.869936
  H      -7.129772     -0.324754     -1.478115
  H      -8.543985     -0.560793      0.581487
  H      -9.148210     -1.972062      2.542838
  H      -2.433037     -2.035627      5.365235
  H      -4.596902     -0.012214      2.238449
  H      -9.273106      9.796235     -0.161338
  H      -7.859486     10.052748     -1.193754
  H      -9.239888      9.072907     -1.797693
  H      -7.429822     10.262882      1.233335
  H      -5.879383     10.302431      3.184599
  H      -5.057126      3.507571      3.591158
  H      -6.460755      6.115597      0.580667
  H     -10.765240      3.736229     -1.162055
  H      -9.531393      4.891129     -0.556128
  H     -11.076834      4.748920      0.286911
  H      -9.197601      5.599419      1.625859
  H      -8.113203      6.107037      3.815479
  H      -6.497370      1.405359      7.240475
  H      -8.904874      1.384837      2.478126
  N      -3.190615      1.933883      3.126817
  N      -3.443365      2.583447      1.918334
  H      -4.123664      2.005737      1.313654
  H      -2.562953      2.679850      1.389460
  H      -3.919398      3.628470      1.971591
91
Coordinates from ORCA-job orca E -6725.230069988828
  N      -1.896056      0.042018      5.203582
  Mo     -3.317550      1.517314      4.856263
  N      -4.487007      1.367946      6.593224
  C      -3.958771      1.739184      7.904022
  C      -2.439562      1.697588      7.833574
  N      -1.903909      2.246491      6.541810
  C      -0.548092      1.663463      6.273513
  C      -0.661875      0.176157      5.947652
  C      -1.800415      3.739606      6.519370
  C      -3.130520      4.400220      6.203374
  N      -3.795096      3.626371      5.163847
  H       0.206104     -0.127483      5.341183
  H      -0.674568     -0.458621      6.847604
  H      -0.147482      2.195169      5.401196
  H       0.122717      1.846110      7.128268
  H      -3.784058      4.445931      7.089324
  H      -2.962355      5.437167      5.875321
  H      -1.382676      4.099188      7.473349
  H      -1.087974      3.986103      5.720768
  H      -4.292577      1.035704      8.685695
  H      -4.315164      2.739425      8.199056
  H      -2.116314      0.651245      7.890034
  H      -1.983054      2.238586      8.677424
  C      -6.965651      0.706279     -1.103743
  C      -6.117862      0.688440      0.130797
  O      -5.091151      1.389252      0.178436
  C      -6.518150     -0.170024      1.270027
  C      -7.798899     -0.752140      1.347743
  C      -8.151448     -1.538850      2.437111
  C      -7.214365     -1.775422      3.439563
  F      -7.578504     -2.533073      4.478191
  C      -5.918240     -1.229033      3.390537
  C      -4.870438     -1.587625      4.380484
  O      -4.829899     -2.664351      4.962460
  N      -3.847812     -0.629824      4.539465
  C      -2.683035     -1.008012      5.070698
  C      -5.602753     -0.417865      2.299216
  C      -8.633143      9.316364     -0.922915
  C      -8.013699      8.055272     -0.373063
  O      -8.285977      6.953782     -0.847149
  C      -7.062019      8.167062      0.776134
  C      -6.889655      9.354504      1.507663
  C      -6.033059      9.388241      2.603716
  C      -5.354237      8.230783      2.974451
  F      -4.523444      8.309249      4.031433
  C      -5.486727      7.026609      2.261514
  C      -4.848196      5.739035      2.641424
  O      -4.596300      4.907273      1.707218
  N      -4.599580      5.508069      3.947353
  C      -4.490665      4.209069      4.214717
  C      -6.339342      7.030978      1.152549
  C     -10.318948      4.173504     -0.260403
  C      -9.750795      3.077144      0.600814
  O      -9.788685      1.898731      0.243601
  C      -9.119244      3.445164      1.905960
  C      -8.900499      4.779717      2.286213
  C      -8.285487      5.076865      3.499763
  C      -7.872072      4.028952      4.313320
  F      -7.293540      4.331553      5.500896
  C      -8.059293      2.683732      3.968486
  C      -7.587829      1.555293      4.844845
  O      -8.329468      0.625511      5.150528
  N      -6.241531      1.632579      5.162752
  C      -5.810414      1.442275      6.379805
  C      -8.715231      2.416140      2.767665
  H      -7.960639      1.117252     -0.865245
  H      -6.487671      1.324775     -1.870015
  H      -7.126890     -0.313409     -1.483342
  H      -8.540591     -0.555197      0.574293
  H      -9.148191     -1.968764      2.532607
  H      -2.438565     -2.038976      5.364251
  H      -4.596099     -0.009292      2.238761
  H      -9.273741      9.792722     -0.164169
  H      -7.859431     10.049434     -1.195568
  H      -9.239472      9.069517     -1.800482
  H      -7.429680     10.259950      1.230425
  H      -5.879575     10.299419      3.182138
  H      -5.061696      3.504103      3.596536
  H      -6.462145      6.112123      0.579537
  H     -10.766675      3.734421     -1.157959
  H      -9.534472      4.890352     -0.550767
  H     -11.080459      4.745568      0.291549
  H      -9.201506      5.596874      1.630834
  H      -8.116468      6.104613      3.820851
  H      -6.496356      1.406474      7.242719
  H      -8.905870      1.382267      2.481999
  N      -3.186805      1.934817      3.129593
  N      -3.440004      2.586622      1.922658
  H      -4.118573      2.008902      1.316314
  H      -2.559520      2.685864      1.394476
  H      -3.920964      3.631887      1.975382
91
Coordinates from ORCA-job orca E -6725.230039863248
  N      -1.901724      0.033428      5.209182
  Mo     -3.316366      1.514030      4.860019
  N      -4.485846      1.368977      6.596678
  C      -3.957770      1.752429      7.904115
  C      -2.438660      1.706751      7.835994
  N      -1.899606      2.243622      6.540311
  C      -0.546996      1.651126      6.275612
  C      -0.669085      0.163082      5.956701
  C      -1.787509      3.735928      6.508211
  C      -3.115318      4.403042      6.195322
  N      -3.792115      3.625622      5.166001
  H       0.199187     -0.149484      5.355189
  H      -0.689362     -0.466785      6.859970
  H      -0.142602      2.176088      5.400928
  H       0.124241      1.833966      7.129971
  H      -3.762657      4.460528      7.085105
  H      -2.941687      5.436160      5.858109
  H      -1.363159      4.098686      7.458096
  H      -1.077152      3.973518      5.705045
  H      -4.294274      1.058131      8.692809
  H      -4.312174      2.756619      8.187633
  H      -2.117607      0.660296      7.902431
  H      -1.982270      2.254147      8.675791
  C      -6.968320      0.739260     -1.098025
  C      -6.120077      0.711919      0.136430
  O      -5.091481      1.409662      0.187235
  C      -6.522153     -0.151532      1.271107
  C      -7.803508     -0.732727      1.344713
  C      -8.158064     -1.524355      2.429852
  C      -7.222500     -1.766724      3.432344
  F      -7.588697     -2.529105      4.466582
  C      -5.925758     -1.221213      3.387475
  C      -4.879458     -1.585402      4.377002
  O      -4.842247     -2.663967      4.955808
  N      -3.854424     -0.630700      4.540245
  C      -2.691994     -1.013923      5.072055
  C      -5.608154     -0.405297      2.300244
  C      -8.651402      9.299723     -0.913798
  C      -8.028447      8.040529     -0.363545
  O      -8.301525      6.937644     -0.833813
  C      -7.071441      8.156166      0.780944
  C      -6.897243      9.345510      1.509030
  C      -6.036328      9.382209      2.601586
  C      -5.354997      8.226193      2.972297
  F      -4.520662      8.308244      4.026229
  C      -5.489174      7.020263      2.262643
  C      -4.849807      5.733813      2.644023
  O      -4.603736      4.898118      1.710906
  N      -4.597874      5.505505      3.948882
  C      -4.491488      4.206259      4.219017
  C      -6.346253      7.021667      1.157005
  C     -10.299871      4.160488     -0.272735
  C      -9.735523      3.066147      0.593808
  O      -9.771814      1.886880      0.239437
  C      -9.109077      3.437454      1.900493
  C      -8.890778      4.773029      2.277816
  C      -8.279012      5.073321      3.492199
  C      -7.868334      4.027223      4.309509
  F      -7.291232      4.332792      5.497050
  C      -8.055862      2.681208      3.968269
  C      -7.586795      1.554719      4.848221
  O      -8.329189      0.625828      5.154566
  N      -6.240091      1.630478      5.165307
  C      -5.809297      1.444181      6.382931
  C      -8.708551      2.410574      2.766371
  H      -7.962197      1.151788     -0.857902
  H      -6.488037      1.361182     -1.860125
  H      -7.132907     -0.277343     -1.484250
  H      -8.544340     -0.530981      0.571698
  H      -9.155326     -1.953837      2.521870
  H      -2.451427     -2.046435      5.363267
  H      -4.600836      0.002168      2.243246
  H      -9.289456      9.777497     -0.153805
  H      -7.879286     10.032728     -1.191197
  H      -9.261023      9.050233     -1.788329
  H      -7.439306     10.249830      1.232148
  H      -5.881381     10.294646      3.177639
  H      -5.068206      3.500418      3.607060
  H      -6.471353      6.101272      0.586898
  H     -10.740879      3.719018     -1.172470
  H      -9.515622      4.879087     -0.559118
  H     -11.066789      4.730457      0.273930
  H      -9.189363      5.588347      1.619085
  H      -8.110108      6.101898      3.811015
  H      -6.495141      1.412575      7.246124
  H      -8.898676      1.375739      2.483638
  N      -3.180253      1.934418      3.134331
  N      -3.434228      2.589676      1.930029
  H      -4.111784      2.013361      1.321955
  H      -2.554071      2.691184      1.401757
  H      -3.920455      3.637504      1.981672
91
Coordinates from ORCA-job orca E -6725.230045034707
  N      -1.903875      0.032577      5.213412
  Mo     -3.317930      1.513268      4.860912
  N      -4.488349      1.370501      6.597125
  C      -3.960986      1.756549      7.904103
  C      -2.441834      1.710419      7.837254
  N      -1.901749      2.244886      6.540952
  C      -0.549301      1.651378      6.278058
  C      -0.671955      0.162840      5.961973
  C      -1.789014      3.737050      6.506645
  C      -3.116525      4.404238      6.192534
  N      -3.793609      3.625716      5.164204
  H       0.196830     -0.151524      5.362133
  H      -0.693810     -0.465312      6.866404
  H      -0.144168      2.174452      5.402581
  H       0.121666      1.835448      7.132368
  H      -3.763890      4.463001      7.082176
  H      -2.942456      5.436845      5.854038
  H      -1.365057      4.101044      7.456246
  H      -1.078136      3.973258      5.703542
  H      -4.298232      1.064085      8.694098
  H      -4.315180      2.761481      8.185151
  H      -2.120729      0.664145      7.906077
  H      -1.986227      2.259538      8.676362
  C      -6.943825      0.717415     -1.113805
  C      -6.102295      0.696334      0.125403
  O      -5.074015      1.394302      0.178210
  C      -6.509388     -0.163612      1.260971
  C      -7.790870     -0.745148      1.330269
  C      -8.150546     -1.532841      2.416607
  C      -7.219751     -1.771397      3.424520
  F      -7.590947     -2.530145      4.459646
  C      -5.922950     -1.225723      3.384056
  C      -4.881114     -1.586699      4.379423
  O      -4.845519     -2.663867      4.960820
  N      -3.856193     -0.631753      4.542958
  C      -2.694812     -1.014413      5.077197
  C      -5.600508     -0.413365      2.295535
  C      -8.658913      9.298709     -0.907608
  C      -8.033769      8.039665     -0.359458
  O      -8.308990      6.936633     -0.828089
  C      -7.072435      8.155694      0.781404
  C      -6.894050      9.345794      1.507088
  C      -6.028707      9.383062      2.596185
  C      -5.347255      8.226775      2.965820
  F      -4.508284      8.309335      4.016020
  C      -5.485918      7.019961      2.258627
  C      -4.847007      5.733362      2.639997
  O      -4.602461      4.896770      1.707345
  N      -4.595896      5.505285      3.945112
  C      -4.491605      4.205723      4.216084
  C      -6.347298      7.020746      1.156448
  C     -10.319017      4.178708     -0.256268
  C      -9.755207      3.081130      0.606713
  O      -9.800077      1.902145      0.252568
  C      -9.119438      3.448904      1.909910
  C      -8.894334      4.783409      2.287439
  C      -8.275575      5.080219      3.498982
  C      -7.864666      4.031643      4.313137
  F      -7.280844      4.334145      5.498238
  C      -8.058020      2.686695      3.971272
  C      -7.588877      1.557688      4.847876
  O      -8.332645      0.630601      5.156201
  N      -6.241806      1.631692      5.164473
  C      -5.811691      1.446027      6.382457
  C      -8.717829      2.419660      2.772362
  H      -7.938964      1.130929     -0.880706
  H      -6.460005      1.336382     -1.876123
  H      -7.106117     -0.300808     -1.496598
  H      -8.527978     -0.547061      0.552775
  H      -9.148126     -1.962286      2.505139
  H      -2.455215     -2.046692      5.370105
  H      -4.592973     -0.005889      2.242133
  H      -9.294448      9.776416     -0.145460
  H      -7.887933     10.031839     -1.187795
  H      -9.271525      9.048953     -1.779971
  H      -7.436214     10.250304      1.231009
  H      -5.870129     10.296106      3.170281
  H      -5.068496      3.499610      3.604713
  H      -6.476044      6.099702      0.588148
  H     -10.766988      3.739509     -1.153698
  H      -9.532460      4.893116     -0.546723
  H     -11.080215      4.752313      0.294492
  H      -9.193731      5.599883      1.630554
  H      -8.101259      6.107568      3.818692
  H      -6.497942      1.415751      7.245370
  H      -8.912981      1.385747      2.489701
  N      -3.180233      1.932156      3.135069
  N      -3.432888      2.586778      1.930146
  H      -4.111791      2.010982      1.323091
  H      -2.552423      2.685792      1.402004
  H      -3.918657      3.636153      1.980263
91
Coordinates from ORCA-job orca E -6725.229198719029
  N      -1.881555      0.056280      5.201199
  Mo     -3.304939      1.529846      4.851140
  N      -4.477808      1.367346      6.585400
  C      -3.952122      1.727316      7.900535
  C      -2.432324      1.698034      7.828443
  N      -1.901786      2.258833      6.539441
  C      -0.541867      1.685273      6.270961
  C      -0.647942      0.196587      5.944065
  C      -1.809025      3.753196      6.525303
  C      -3.146241      4.402788      6.217491
  N      -3.800709      3.634961      5.167950
  H       0.220732     -0.100769      5.335466
  H      -0.654877     -0.440022      6.842873
  H      -0.143899      2.221138      5.400064
  H       0.127102      1.870824      7.126491
  H      -3.799760      4.428451      7.104167
  H      -2.991208      5.445820      5.902987
  H      -1.390640      4.110360      7.479876
  H      -1.101799      4.008633      5.724849
  H      -4.278945      1.011018      8.673516
  H      -4.316142      2.720461      8.210306
  H      -2.101377      0.653768      7.875809
  H      -1.978306      2.236601      8.674981
  C      -6.981086      0.697040     -1.102262
  C      -6.124653      0.682295      0.124553
  O      -5.096079      1.380410      0.163280
  C      -6.515172     -0.179517      1.265478
  C      -7.793765     -0.766534      1.350617
  C      -8.136849     -1.553528      2.443086
  C      -7.193154     -1.783447      3.441070
  F      -7.547997     -2.540191      4.484242
  C      -5.900480     -1.230392      3.384896
  C      -4.849818     -1.580075      4.373962
  O      -4.803135     -2.654323      4.959348
  N      -3.830785     -0.617259      4.529381
  C      -2.666054     -0.993575      5.066718
  C      -5.594053     -0.421221      2.289901
  C      -8.478702      9.430652     -0.992035
  C      -7.884511      8.154458     -0.449211
  O      -8.145873      7.065328     -0.957032
  C      -6.985647      8.234375      0.743692
  C      -6.831382      9.407363      1.501226
  C      -6.015469      9.416672      2.628416
  C      -5.359962      8.247536      3.004014
  F      -4.562622      8.299889      4.087743
  C      -5.477621      7.055969      2.268004
  C      -4.851711      5.761006      2.645753
  O      -4.564531      4.949348      1.704958
  N      -4.627158      5.516502      3.954904
  C      -4.496365      4.218659      4.218323
  C      -6.289039      7.084378      1.129652
  C     -10.477420      4.080358     -0.198890
  C      -9.855492      2.997020      0.640434
  O      -9.881189      1.818011      0.283374
  C      -9.197895      3.375835      1.929726
  C      -8.991722      4.713408      2.305122
  C      -8.360839      5.019182      3.508417
  C      -7.919366      3.978268      4.316560
  F      -7.335095      4.290367      5.498734
  C      -8.090324      2.630168      3.973712
  C      -7.590330      1.507633      4.843965
  O      -8.316387      0.570016      5.162411
  N      -6.244703      1.610732      5.159321
  C      -5.803444      1.427985      6.374472
  C      -8.762678      2.353477      2.783707
  H      -7.975477      1.101504     -0.849519
  H      -6.516518      1.317843     -1.874566
  H      -7.138701     -0.324319     -1.479447
  H      -8.539724     -0.576014      0.579874
  H      -9.131044     -1.987833      2.544845
  H      -2.420927     -2.024747      5.359587
  H      -4.590076     -0.006948      2.223258
  H      -9.145676      9.890503     -0.245892
  H      -7.694158     10.167530     -1.218823
  H      -9.052254      9.206683     -1.897367
  H      -7.351113     10.322545      1.217053
  H      -5.873898     10.317765      3.225374
  H      -5.047968      3.512254      3.584411
  H      -6.394319      6.177595      0.534577
  H     -10.951357      3.631827     -1.078079
  H      -9.714318      4.807227     -0.520107
  H     -11.225211      4.645476      0.378171
  H      -9.317851      5.525275      1.655081
  H      -8.202373      6.048487      3.827785
  H      -6.485070      1.378882      7.240035
  H      -8.944693      1.318180      2.499619
  N      -3.174712      1.951276      3.125296
  N      -3.426053      2.601573      1.916567
  H      -4.088119      2.012118      1.300868
  H      -2.540499      2.718446      1.400681
  H      -3.927498      3.634259      1.970763
91
Coordinates from ORCA-job orca E -6725.229983234140
  N      -1.898325      0.044996      5.197680
  Mo     -3.318676      1.522494      4.856696
  N      -4.482870      1.367951      6.597030
  C      -3.950036      1.734772      7.907315
  C      -2.431065      1.695522      7.830608
  N      -1.900964      2.247848      6.537917
  C      -0.546008      1.665279      6.263993
  C      -0.661536      0.178043      5.937504
  C      -1.798240      3.741226      6.517627
  C      -3.130697      4.401085      6.210915
  N      -3.798972      3.629846      5.171975
  H       0.204115     -0.125291      5.327564
  H      -0.670873     -0.457293      6.837117
  H      -0.148590      2.197907      5.390789
  H       0.127743      1.847150      7.116573
  H      -3.779630      4.442286      7.100464
  H      -2.966088      5.439509      5.885739
  H      -1.374396      4.099263      7.469458
  H      -1.091362      3.989070      5.714477
  H      -4.279696      1.027599      8.687409
  H      -4.306880      2.733135      8.208154
  H      -2.106746      0.649294      7.882663
  H      -1.971452      2.234774      8.673822
  C      -6.971724      0.701117     -1.113703
  C      -6.119865      0.682449      0.117746
  O      -5.088615      1.377015      0.159987
  C      -6.521258     -0.170706      1.260772
  C      -7.803040     -0.750224      1.341227
  C      -8.155794     -1.533663      2.432890
  C      -7.218270     -1.768750      3.435173
  F      -7.582666     -2.522710      4.476601
  C      -5.921733     -1.223527      3.384177
  C      -4.874616     -1.580832      4.375113
  O      -4.833184     -2.658124      4.955914
  N      -3.851700     -0.623312      4.534665
  C      -2.686092     -1.003910      5.064404
  C      -5.605549     -0.416579      2.290025
  C      -8.602266      9.326695     -0.943204
  C      -7.990047      8.064280     -0.388285
  O      -8.256262      6.963923     -0.868443
  C      -7.051673      8.173367      0.771873
  C      -6.885813      9.359911      1.506279
  C      -6.040102      9.392458      2.610711
  C      -5.365360      8.234406      2.986734
  F      -4.544231      8.310960      4.051325
  C      -5.491322      7.030933      2.271210
  C      -4.853447      5.743781      2.654660
  O      -4.592682      4.913418      1.721257
  N      -4.612555      5.511956      3.961697
  C      -4.498866      4.213636      4.226917
  C      -6.333524      7.036287      1.154346
  C     -10.321501      4.147160     -0.256297
  C      -9.750872      3.056153      0.609616
  O      -9.784634      1.876329      0.256377
  C      -9.122184      3.430639      1.914307
  C      -8.904971      4.766820      2.288948
  C      -8.294891      5.069611      3.503752
  C      -7.884270      4.025998      4.324145
  F      -7.313814      4.334009      5.514178
  C      -8.067587      2.679113      3.983379
  C      -7.594210      1.554846      4.864493
  O      -8.333518      0.623285      5.170312
  N      -6.246704      1.632907      5.176489
  C      -5.807734      1.440583      6.390314
  C      -8.719820      2.405848      2.781817
  H      -7.964470      1.116324     -0.872136
  H      -6.494239      1.314519     -1.884224
  H      -7.138084     -0.319528     -1.488867
  H      -8.544910     -0.553891      0.567850
  H      -9.153054     -1.961890      2.530591
  H      -2.441881     -2.035885      5.354584
  H      -4.598548     -0.009265      2.227304
  H      -9.250759      9.802110     -0.190592
  H      -7.825364     10.059831     -1.206397
  H      -9.199033      9.081633     -1.827797
  H      -7.422218     10.266020      1.224200
  H      -5.891910     10.303165      3.191250
  H      -5.066838      3.509360      3.604787
  H      -6.450372      6.118274      0.578976
  H     -10.769676      3.703556     -1.151352
  H      -9.538016      4.863386     -0.550842
  H     -11.082656      4.721904      0.293452
  H      -9.204612      5.581432      1.629697
  H      -8.128260      6.098880      3.820375
  H      -6.488681      1.401887      7.257061
  H      -8.908240      1.370930      2.498954
  N      -3.192228      1.945599      3.130896
  N      -3.447763      2.603231      1.927479
  H      -4.132999      2.031977      1.322316
  H      -2.569239      2.699622      1.395498
  H      -3.921335      3.651203      1.986653
91
Coordinates from ORCA-job orca E -6725.227200691829
  N      -1.922813      0.009351      5.234378
  Mo     -3.327618      1.494232      4.854939
  N      -4.501092      1.391838      6.591408
  C      -3.973988      1.791847      7.893467
  C      -2.455334      1.729480      7.833543
  N      -1.905912      2.240307      6.531250
  C      -0.557713      1.632972      6.278286
  C      -0.690255      0.141210      5.981938
  C      -1.783359      3.730672      6.480059
  C      -3.106056      4.402951      6.150120
  N      -3.782502      3.617211      5.125894
  H       0.176869     -0.188548      5.388007
  H      -0.719215     -0.474855      6.894298
  H      -0.147259      2.140449      5.396024
  H       0.114349      1.823255      7.130488
  H      -3.758716      4.475062      7.034745
  H      -2.923113      5.430649      5.801615
  H      -1.365792      4.103150      7.429311
  H      -1.063606      3.954611      5.681428
  H      -4.321736      1.115822      8.693105
  H      -4.317363      2.805269      8.156158
  H      -2.142360      0.682459      7.922005
  H      -1.999458      2.288653      8.666098
  C      -6.865713      0.724644     -1.082564
  C      -6.073053      0.725683      0.191126
  O      -5.084170      1.472268      0.297338
  C      -6.496393     -0.155706      1.303679
  C      -7.770323     -0.757067      1.333717
  C      -8.148578     -1.555232      2.406212
  C      -7.241050     -1.789833      3.436630
  F      -7.629703     -2.561923      4.454176
  C      -5.947275     -1.235532      3.428436
  C      -4.918129     -1.596993      4.436908
  O      -4.897322     -2.665695      5.034482
  N      -3.882157     -0.651233      4.581403
  C      -2.728589     -1.032132      5.122618
  C      -5.610836     -0.405269      2.357736
  C      -8.811373      9.304131     -0.756409
  C      -8.156318      8.044808     -0.244357
  O      -8.469323      6.940631     -0.685089
  C      -7.121280      8.163091      0.830813
  C      -6.884554      9.357519      1.531959
  C      -5.954953      9.391994      2.567360
  C      -5.268918      8.229498      2.908759
  F      -4.370008      8.311617      3.908282
  C      -5.465376      7.018248      2.223557
  C      -4.833748      5.723548      2.587048
  O      -4.632476      4.879730      1.651800
  N      -4.559265      5.495540      3.887726
  C      -4.468457      4.193480      4.166613
  C      -6.388324      7.023047      1.172925
  C     -10.248387      4.190536     -0.323037
  C      -9.701328      3.091838      0.551822
  O      -9.732585      1.913722      0.195009
  C      -9.084139      3.462712      1.862817
  C      -8.872348      4.799958      2.242786
  C      -8.269356      5.100761      3.460131
  C      -7.860031      4.053314      4.277270
  F      -7.292326      4.361315      5.468707
  C      -8.041635      2.707326      3.935483
  C      -7.578496      1.581086      4.816214
  O      -8.322095      0.652575      5.120878
  N      -6.232950      1.655693      5.141301
  C      -5.820440      1.477974      6.366459
  C      -8.685983      2.435462      2.729429
  H      -7.880667      1.109113     -0.890081
  H      -6.371448      1.362514     -1.822406
  H      -6.983276     -0.294297     -1.477514
  H      -8.490357     -0.565412      0.538813
  H      -9.143029     -1.996840      2.465028
  H      -2.500336     -2.060231      5.438403
  H      -4.605962      0.012081      2.333324
  H      -9.394061      9.788495      0.042820
  H      -8.057463     10.032472     -1.090566
  H      -9.480889      9.052226     -1.585292
  H      -7.432359     10.266043      1.281569
  H      -5.749853     10.307288      3.122868
  H      -5.055762      3.485413      3.568979
  H      -6.568028      6.098987      0.624465
  H     -10.671609      3.749514     -1.231690
  H      -9.456531      4.907035     -0.593017
  H     -11.026386      4.758899      0.208400
  H      -9.167808      5.611334      1.578050
  H      -8.103541      6.128443      3.785622
  H      -6.515345      1.462681      7.222888
  H      -8.870604      1.398190      2.448499
  N      -3.185345      1.881093      3.122479
  N      -3.430681      2.510283      1.901871
  H      -4.092149      1.914873      1.300091
  H      -2.544520      2.605360      1.383050
  H      -3.933789      3.557664      1.923736
91
Coordinates from ORCA-job orca E -6725.229941651215
  N      -1.896569      0.035114      5.216930
  Mo     -3.312808      1.512655      4.857548
  N      -4.490967      1.368238      6.588581
  C      -3.970948      1.752246      7.898938
  C      -2.451431      1.708043      7.839890
  N      -1.905441      2.245820      6.547434
  C      -0.550598      1.655953      6.289648
  C      -0.668043      0.167654      5.970839
  C      -1.796389      3.738156      6.517083
  C      -3.123417      4.402531      6.194723
  N      -3.790973      3.624548      5.159673
  H       0.204079     -0.143879      5.374407
  H      -0.692491     -0.461714      6.874329
  H      -0.142990      2.181148      5.416563
  H       0.116453      1.840367      7.146970
  H      -3.777550      4.456829      7.079623
  H      -2.949970      5.436460      5.859963
  H      -1.380891      4.101176      7.470775
  H      -1.080026      3.978340      5.720059
  H      -4.311680      1.058032      8.685894
  H      -4.327666      2.756328      8.179706
  H      -2.129053      0.662217      7.908915
  H      -2.001287      2.256443      8.682459
  C      -6.970160      0.709545     -1.106127
  C      -6.120474      0.689674      0.126785
  O      -5.099228      1.397481      0.174094
  C      -6.518210     -0.169484      1.266406
  C      -7.798955     -0.751243      1.344790
  C      -8.151617     -1.536889      2.434733
  C      -7.214430     -1.773644      3.437029
  F      -7.579466     -2.530563      4.475626
  C      -5.917635     -1.228519      3.387742
  C      -4.870416     -1.589535      4.378277
  O      -4.838729     -2.662488      4.967630
  N      -3.846093     -0.633678      4.541423
  C      -2.686987     -1.013003      5.081626
  C      -5.602459     -0.416932      2.296043
  C      -8.685061      9.281064     -0.889471
  C      -8.048104      8.025561     -0.346724
  O      -8.322895      6.920811     -0.811367
  C      -7.075615      8.147458      0.784110
  C      -6.892691      9.340442      1.503975
  C      -6.017892      9.383043      2.585314
  C      -5.331676      8.229150      2.953386
  F      -4.484001      8.316704      3.996191
  C      -5.475016      7.019499      2.251984
  C      -4.833277      5.734682      2.633740
  O      -4.584638      4.899935      1.700680
  N      -4.583524      5.506276      3.939133
  C      -4.482195      4.205686      4.207606
  C      -6.345263      7.014955      1.156715
  C     -10.308191      4.210721     -0.263676
  C      -9.744598      3.106431      0.591022
  O      -9.786231      1.930673      0.226114
  C      -9.110905      3.463999      1.898026
  C      -8.889900      4.795711      2.288596
  C      -8.271928      5.082586      3.502931
  C      -7.858302      4.027084      4.306777
  F      -7.272684      4.319467      5.493481
  C      -8.048799      2.685096      3.952465
  C      -7.577886      1.549074      4.818354
  O      -8.321623      0.621243      5.124710
  N      -6.233541      1.628486      5.144743
  C      -5.812638      1.441505      6.365823
  C      -8.706868      2.427564      2.750658
  H      -7.961490      1.124733     -0.864806
  H      -6.491950      1.329221     -1.871588
  H      -7.136497     -0.308462     -1.487626
  H      -8.541124     -0.555020      0.571705
  H      -9.148576     -1.966294      2.530176
  H      -2.448278     -2.044133      5.379276
  H      -4.595527     -0.008904      2.235698
  H      -9.315615      9.755804     -0.121357
  H      -7.920830     10.018133     -1.177769
  H      -9.304916      9.027498     -1.755599
  H      -7.439142     10.242944      1.229806
  H      -5.855720     10.298358      3.154771
  H      -5.057199      3.500477      3.593613
  H      -6.478371      6.091088      0.593223
  H     -10.750778      3.778846     -1.167329
  H      -9.522593      4.930229     -0.543468
  H     -11.073749      4.776362      0.289208
  H      -9.190412      5.617343      1.638692
  H      -8.099749      6.107310      3.833147
  H      -6.505035      1.407897      7.223689
  H      -8.898891      1.395581      2.458487
  N      -3.168203      1.931137      3.132458
  N      -3.416832      2.584664      1.926516
  H      -4.092434      2.006719      1.316946
  H      -2.534283      2.685157      1.402222
  H      -3.905944      3.633381      1.974693
91
Coordinates from ORCA-job orca E -6725.228029812072
  N      -1.897871      0.071023      5.166596
  Mo     -3.339785      1.535362      4.855829
  N      -4.472798      1.356117      6.615154
  C      -3.920600      1.717573      7.919118
  C      -2.402961      1.698351      7.814150
  N      -1.904433      2.266724      6.516045
  C      -0.547361      1.702685      6.217159
  C      -0.651670      0.215188      5.887255
  C      -1.819454      3.761583      6.503287
  C      -3.165343      4.406071      6.226559
  N      -3.843610      3.634545      5.194959
  H       0.207175     -0.075168      5.261614
  H      -0.638355     -0.424285      6.784023
  H      -0.171142      2.244102      5.340059
  H       0.138127      1.889342      7.059258
  H      -3.797084      4.432020      7.128941
  H      -3.021008      5.448820      5.906155
  H      -1.381204      4.118715      7.448918
  H      -1.131667      4.021981      5.687622
  H      -4.226994      0.999210      8.698504
  H      -4.283764      2.708461      8.237106
  H      -2.064470      0.655940      7.850723
  H      -1.934117      2.237114      8.652386
  C      -6.967313      0.729334     -1.093326
  C      -6.142835      0.722076      0.155381
  O      -5.144904      1.460232      0.236036
  C      -6.520929     -0.184518      1.265252
  C      -7.775838     -0.824594      1.310085
  C      -8.108077     -1.651080      2.376647
  C      -7.176422     -1.865555      3.389213
  F      -7.519013     -2.663443      4.405844
  C      -5.907002     -1.258497      3.372492
  C      -4.862298     -1.588121      4.373578
  O      -4.786334     -2.672648      4.936549
  N      -3.853153     -0.614621      4.526923
  C      -2.674781     -0.984574      5.040424
  C      -5.611122     -0.413958      2.302049
  C      -8.375976      9.506958     -1.038310
  C      -7.840617      8.212274     -0.478553
  O      -8.126777      7.131676     -0.991085
  C      -6.960437      8.264589      0.729275
  C      -6.771861      9.437645      1.479183
  C      -5.969132      9.427228      2.615358
  C      -5.360688      8.238477      3.007358
  F      -4.570583      8.271540      4.097221
  C      -5.516238      7.044668      2.282057
  C      -4.934393      5.734173      2.677169
  O      -4.668444      4.902802      1.746222
  N      -4.690856      5.508811      3.985958
  C      -4.562961      4.214481      4.261067
  C      -6.314906      7.091431      1.134857
  C     -10.444498      3.978031     -0.200653
  C      -9.826150      2.923668      0.676237
  O      -9.842257      1.734617      0.353023
  C      -9.185285      3.341446      1.962313
  C      -8.978898      4.688404      2.301554
  C      -8.360404      5.026914      3.503383
  C      -7.932358      4.008629      4.346923
  F      -7.362216      4.352811      5.527197
  C      -8.106994      2.651549      4.041547
  C      -7.625313      1.550768      4.949636
  O      -8.355539      0.613801      5.260365
  N      -6.271069      1.624742      5.232806
  C      -5.802811      1.423264      6.434705
  C      -8.765606      2.343673      2.851633
  H      -7.985455      1.083653     -0.859493
  H      -6.509697      1.388350     -1.837502
  H      -7.069890     -0.288814     -1.497619
  H      -8.513397     -0.644921      0.528573
  H      -9.085146     -2.128298      2.447444
  H      -2.415190     -2.015701      5.320727
  H      -4.624151      0.042628      2.265832
  H      -9.042499      9.993089     -0.308613
  H      -7.560443     10.214293     -1.249130
  H      -8.936713      9.300721     -1.955794
  H      -7.251710     10.369554      1.179644
  H      -5.799897     10.328342      3.205047
  H      -5.129424      3.505615      3.642554
  H      -6.445130      6.183775      0.545654
  H     -10.900973      3.502416     -1.074777
  H      -9.684514      4.704375     -0.529209
  H     -11.206498      4.550135      0.350815
  H      -9.293724      5.483289      1.625433
  H      -8.203298      6.065118      3.794583
  H      -6.464411      1.374873      7.315667
  H      -8.949531      1.302101      2.594861
  N      -3.250447      1.972849      3.131057
  N      -3.533520      2.641499      1.938856
  H      -4.242534      2.082136      1.348568
  H      -2.668330      2.736083      1.385020
  H      -3.995394      3.690666      2.021893
91
Coordinates from ORCA-job orca E -6725.229808270959
  N      -1.895977      0.042859      5.204892
  Mo     -3.317736      1.517598      4.854351
  N      -4.483330      1.369492      6.594126
  C      -3.953021      1.746510      7.902525
  C      -2.433831      1.708420      7.829055
  N      -1.901891      2.253011      6.533596
  C      -0.546457      1.669453      6.264546
  C      -0.660966      0.180378      5.946860
  C      -1.799788      3.746069      6.505728
  C      -3.132773      4.403772      6.195949
  N      -3.801705      3.627621      5.160808
  H       0.206324     -0.126837      5.341187
  H      -0.672959     -0.449609      6.850170
  H      -0.148306      2.196863      5.388488
  H       0.126634      1.856562      7.116544
  H      -3.781241      4.448813      7.085593
  H      -2.968549      5.440708      5.865952
  H      -1.377178      4.108963      7.456316
  H      -1.092146      3.990654      5.702263
  H      -4.283478      1.045079      8.687471
  H      -4.311063      2.746901      8.194886
  H      -2.107638      0.663291      7.889516
  H      -1.977098      2.254534      8.669465
  C      -6.969990      0.710873     -1.095928
  C      -6.118906      0.685666      0.135863
  O      -5.090349      1.383419      0.182102
  C      -6.516383     -0.178696      1.271964
  C      -7.795609     -0.764593      1.347695
  C      -8.146521     -1.554550      2.435388
  C      -7.209717     -1.789324      3.438638
  F      -7.573085     -2.549089      4.476246
  C      -5.915743     -1.237427      3.392465
  C      -4.870064     -1.589846      4.386503
  O      -4.829065     -2.663865      4.973318
  N      -3.848329     -0.630208      4.542636
  C      -2.683993     -1.006647      5.076726
  C      -5.601703     -0.424523      2.302001
  C      -8.568426      9.390465     -0.933761
  C      -7.962063      8.118933     -0.393172
  O      -8.222241      7.027002     -0.894931
  C      -7.032475      8.209384      0.775695
  C      -6.860219      9.389034      1.519412
  C      -6.017051      9.407518      2.626199
  C      -5.351306      8.242093      2.995126
  F      -4.529106      8.306200      4.059714
  C      -5.486900      7.043995      2.272445
  C      -4.854629      5.751627      2.645873
  O      -4.613459      4.921804      1.706917
  N      -4.610664      5.510336      3.950594
  C      -4.499588      4.209678      4.213404
  C      -6.326817      7.062878      1.154057
  C     -10.380997      4.098597     -0.249716
  C      -9.786514      3.016632      0.611789
  O      -9.813760      1.835317      0.263516
  C      -9.142794      3.401872      1.906094
  C      -8.928977      4.741132      2.273238
  C      -8.309548      5.051964      3.481108
  C      -7.887378      4.013164      4.302242
  F      -7.308344      4.329552      5.485938
  C      -8.067527      2.663988      3.969402
  C      -7.590233      1.544925      4.854975
  O      -8.325002      0.609767      5.160690
  N      -6.243054      1.628152      5.167867
  C      -5.807515      1.441137      6.383879
  C      -8.727000      2.382755      2.773553
  H      -7.963693      1.119904     -0.849627
  H      -6.495905      1.336589     -1.858856
  H      -7.132066     -0.305954     -1.482547
  H      -8.537114     -0.569822      0.573570
  H      -9.141891     -1.988012      2.528964
  H      -2.440693     -2.037001      5.373425
  H      -4.596862     -0.011132      2.243975
  H      -9.225152      9.853415     -0.180516
  H      -7.788978     10.127865     -1.176736
  H      -9.155610      9.159772     -1.828577
  H      -7.387892     10.301473      1.241357
  H      -5.862011     10.313210      3.212761
  H      -5.070059      3.504751      3.594622
  H      -6.449358      6.149651      0.571321
  H     -10.835018      3.646529     -1.137619
  H      -9.609117      4.821945     -0.556498
  H     -11.142056      4.666057      0.307470
  H      -9.239700      5.550276      1.612513
  H      -8.145707      6.083018      3.794635
  H      -6.490759      1.404801      7.248949
  H      -8.914292      1.345752      2.497477
  N      -3.188980      1.933281      3.127235
  N      -3.442550      2.585022      1.920908
  H      -4.134703      2.015012      1.322430
  H      -2.564591      2.671079      1.386453
  H      -3.913624      3.638730      1.971966
91
Coordinates from ORCA-job orca E -6725.225513238706
  N      -1.897752      0.027957      5.195199
  Mo     -3.312589      1.511147      4.859040
  N      -4.485931      1.350189      6.591561
  C      -3.960169      1.705602      7.907476
  C      -2.440802      1.661426      7.840300
  N      -1.899489      2.220984      6.554920
  C      -0.545043      1.635238      6.282195
  C      -0.663251      0.150902      5.941216
  C      -1.792344      3.713900      6.547635
  C      -3.121940      4.380240      6.237395
  N      -3.785499      3.617358      5.188371
  H       0.203874     -0.150791      5.332649
  H      -0.679400     -0.491691      6.835435
  H      -0.141695      2.174043      5.415423
  H       0.125293      1.807387      7.139503
  H      -3.777115      4.417605      7.122497
  H      -2.952006      5.420103      5.919617
  H      -1.373835      4.062855      7.505160
  H      -1.079269      3.966561      5.751428
  H      -4.298541      0.995024      8.680696
  H      -4.315091      2.703639      8.211332
  H      -2.120845      0.613820      7.888307
  H      -1.984888      2.192922      8.690549
  C      -6.977427      0.727912     -1.119671
  C      -6.107178      0.687491      0.098034
  O      -5.053680      1.348260      0.117869
  C      -6.525627     -0.131525      1.259636
  C      -7.825803     -0.664044      1.361645
  C      -8.191683     -1.424936      2.464665
  C      -7.250188     -1.685419      3.456627
  F      -7.628435     -2.416205      4.508596
  C      -5.935702     -1.186890      3.385057
  C      -4.886167     -1.572943      4.364322
  O      -4.869127     -2.648418      4.950253
  N      -3.852238     -0.629356      4.528370
  C      -2.692238     -1.018075      5.056576
  C      -5.606243     -0.398109      2.281175
  C      -8.787739      9.045425     -0.939444
  C      -8.083612      7.832836     -0.381809
  O      -8.298604      6.709152     -0.832588
  C      -7.139792      8.017471      0.765026
  C      -7.040511      9.220494      1.485210
  C      -6.196974      9.312821      2.588073
  C      -5.458295      8.198837      2.977941
  F      -4.650295      8.332818      4.046853
  C      -5.511342      6.983829      2.272310
  C      -4.813856      5.732663      2.670642
  O      -4.489902      4.917487      1.743180
  N      -4.591124      5.508760      3.980930
  C      -4.476565      4.209257      4.241443
  C      -6.351393      6.931488      1.154748
  C     -10.170232      4.386064     -0.266541
  C      -9.653362      3.252875      0.579720
  O      -9.734749      2.083429      0.200840
  C      -9.018568      3.574240      1.894898
  C      -8.748821      4.893996      2.293085
  C      -8.129995      5.150759      3.513683
  C      -7.763452      4.077322      4.315523
  F      -7.176714      4.340271      5.507611
  C      -8.000720      2.745031      3.952198
  C      -7.560196      1.588398      4.807243
  O      -8.330724      0.683662      5.117645
  N      -6.218613      1.644428      5.147936
  C      -5.805945      1.438764      6.369183
  C      -8.660518      2.517859      2.745800
  H      -7.940958      1.199599     -0.868112
  H      -6.481669      1.301798     -1.908610
  H      -7.203795     -0.288788     -1.472906
  H      -8.569526     -0.449272      0.595128
  H      -9.202006     -1.817279      2.578364
  H      -2.454288     -2.052075      5.344377
  H      -4.585737     -0.029311      2.200923
  H      -9.446091      9.491709     -0.177544
  H      -8.065732      9.821533     -1.234062
  H      -9.389634      8.748800     -1.804593
  H      -7.631810     10.089899      1.197642
  H      -6.103821     10.235735      3.160796
  H      -5.041678      3.509613      3.612373
  H      -6.419525      6.001616      0.592340
  H     -10.626532      3.982482     -1.176221
  H      -9.356708      5.078813     -0.536042
  H     -10.914184      4.976517      0.290058
  H      -9.010266      5.733102      1.648212
  H      -7.920168      6.167463      3.845871
  H      -6.501031      1.404251      7.224846
  H      -8.886601      1.494570      2.445126
  N      -3.182439      1.943447      3.135695
  N      -3.453539      2.597221      1.934043
  H      -4.071017      1.981968      1.299337
  H      -2.570984      2.767764      1.427767
  H      -4.013186      3.602630      1.989894
91
Coordinates from ORCA-job orca E -6725.229843392828
  N      -1.884890      0.050927      5.196690
  Mo     -3.313892      1.519720      4.853418
  N      -4.483184      1.355681      6.589545
  C      -3.957474      1.722802      7.902600
  C      -2.438176      1.692916      7.831886
  N      -1.906310      2.251042      6.542425
  C      -0.546749      1.677393      6.271921
  C      -0.651543      0.190181      5.941268
  C      -1.813119      3.744970      6.525936
  C      -3.148759      4.397074      6.214885
  N      -3.808371      3.623506      5.171766
  H       0.218157     -0.106515      5.333861
  H      -0.660439     -0.447224      6.839373
  H      -0.149659      2.214649      5.401383
  H       0.122955      1.861422      7.127236
  H      -3.801483      4.432757      7.101858
  H      -2.989494      5.436959      5.891796
  H      -1.395831      4.103387      7.480506
  H      -1.104252      3.999246      5.726535
  H      -4.286256      1.012353      8.680076
  H      -4.321418      2.718508      8.203614
  H      -2.107737      0.648654      7.883477
  H      -1.985304      2.233211      8.678103
  C      -6.980694      0.726445     -1.095741
  C      -6.129211      0.704806      0.135928
  O      -5.114251      1.421957      0.189976
  C      -6.518981     -0.164834      1.270620
  C      -7.794858     -0.757502      1.348334
  C      -8.138098     -1.552374      2.434810
  C      -7.196214     -1.786918      3.433140
  F      -7.551788     -2.552102      4.469275
  C      -5.903518     -1.232461      3.382233
  C      -4.849943     -1.591534      4.366204
  O      -4.804936     -2.669644      4.945297
  N      -3.832961     -0.628648      4.529643
  C      -2.667098     -1.002441      5.062028
  C      -5.597998     -0.412098      2.295014
  C      -8.553330      9.343639     -0.981069
  C      -7.946094      8.077790     -0.428020
  O      -8.211730      6.980182     -0.914030
  C      -7.023308      8.179444      0.745406
  C      -6.860143      9.364382      1.482974
  C      -6.029196      9.391356      2.598645
  C      -5.365702      8.229455      2.982333
  F      -4.559352      8.300571      4.058448
  C      -5.489011      7.027008      2.264214
  C      -4.860178      5.737295      2.653726
  O      -4.594997      4.907268      1.721270
  N      -4.624987      5.504154      3.961392
  C      -4.507273      4.205451      4.224726
  C      -6.317251      7.037519      1.136571
  C     -10.394724      4.151964     -0.215436
  C      -9.805436      3.059790      0.636088
  O      -9.841062      1.881581      0.277897
  C      -9.153627      3.430564      1.930379
  C      -8.926036      4.765020      2.306616
  C      -8.294149      5.061096      3.512248
  C      -7.873047      4.012373      4.320934
  F      -7.276816      4.313654      5.499509
  C      -8.068409      2.667360      3.978774
  C      -7.585365      1.535863      4.845027
  O      -8.325009      0.608311      5.162405
  N      -6.239698      1.620846      5.161545
  C      -5.806619      1.426267      6.377169
  C      -8.740340      2.401219      2.787063
  H      -7.978960      1.122689     -0.849167
  H      -6.512697      1.358958     -1.856544
  H      -7.131432     -0.291294     -1.484779
  H      -8.540781     -0.560422      0.579095
  H      -9.131446     -1.989818      2.531596
  H      -2.418151     -2.032923      5.353433
  H      -4.594581      0.004038      2.232494
  H      -9.206590      9.815822     -0.230487
  H      -7.774609     10.077769     -1.236158
  H      -9.144206      9.103100     -1.870861
  H      -7.387791     10.273688      1.194794
  H      -5.884102     10.300656      3.182180
  H      -5.070108      3.499806      3.599831
  H      -6.433694      6.119627      0.559978
  H     -10.854272      3.711017     -1.105991
  H      -9.618772      4.872635     -0.518230
  H     -11.150076      4.720520      0.348567
  H      -9.233331      5.583706      1.656174
  H      -8.118526      6.089108      3.831243
  H      -6.491738      1.383580      7.240467
  H      -8.937095      1.367844      2.503185
  N      -3.182593      1.946467      3.128915
  N      -3.441310      2.598727      1.923749
  H      -4.104026      2.011486      1.307808
  H      -2.559037      2.717797      1.402827
  H      -3.939002      3.636124      1.979262
91
Coordinates from ORCA-job orca E -6725.229465692592
  N      -1.909316      0.026369      5.219198
  Mo     -3.314772      1.513624      4.858056
  N      -4.486751      1.385125      6.595312
  C      -3.957129      1.766496      7.902859
  C      -2.437994      1.714459      7.834525
  N      -1.896349      2.244292      6.537043
  C      -0.546627      1.644449      6.275528
  C      -0.675637      0.155024      5.965026
  C      -1.777924      3.736017      6.498738
  C      -3.102176      4.407158      6.179914
  N      -3.778375      3.630073      5.150222
  H       0.190607     -0.164310      5.364174
  H      -0.697442     -0.470099      6.871588
  H      -0.140030      2.162885      5.397998
  H       0.125696      1.828828      7.128710
  H      -3.752168      4.467842      7.067513
  H      -2.924676      5.439157      5.841476
  H      -1.354260      4.101239      7.447985
  H      -1.064899      3.967017      5.696015
  H      -4.295816      1.073124      8.691444
  H      -4.307692      2.771869      8.187091
  H      -2.121309      0.666891      7.904153
  H      -1.979183      2.262547      8.672530
  C      -6.927126      0.715330     -1.112255
  C      -6.086810      0.686922      0.127210
  O      -5.038160      1.354626      0.169214
  C      -6.503858     -0.165643      1.264974
  C      -7.791357     -0.733779      1.335345
  C      -8.159753     -1.514392      2.424035
  C      -7.232937     -1.757003      3.434741
  F      -7.612960     -2.507309      4.473205
  C      -5.932070     -1.221178      3.395319
  C      -4.898392     -1.578884      4.399920
  O      -4.864929     -2.655515      4.982255
  N      -3.866922     -0.629753      4.555351
  C      -2.707775     -1.015888      5.093341
  C      -5.599365     -0.419161      2.302262
  C      -8.669717      9.336576     -0.876125
  C      -8.048124      8.072259     -0.335950
  O      -8.342691      6.971325     -0.797697
  C      -7.068183      8.180476      0.789956
  C      -6.865491      9.370535      1.509259
  C      -5.984308      9.401415      2.585836
  C      -5.311472      8.238289      2.949609
  F      -4.457191      8.313236      3.987995
  C      -5.473777      7.031394      2.247814
  C      -4.843454      5.739098      2.623804
  O      -4.614325      4.903516      1.686485
  N      -4.578789      5.509430      3.926676
  C      -4.473576      4.210148      4.199567
  C      -6.350137      7.038451      1.157547
  C     -10.322433      4.133337     -0.274912
  C      -9.738785      3.045651      0.587129
  O      -9.757082      1.866965      0.229563
  C      -9.131152      3.421590      1.901259
  C      -8.947519      4.758707      2.290831
  C      -8.353426      5.063267      3.512664
  C      -7.923632      4.020546      4.324594
  F      -7.366775      4.330840      5.520441
  C      -8.075947      2.673202      3.971261
  C      -7.589937      1.550797      4.847756
  O      -8.314867      0.603122      5.138190
  N      -6.243545      1.642484      5.163344
  C      -5.810502      1.460300      6.381272
  C      -8.714143      2.397473      2.762333
  H      -7.913413      1.151249     -0.881625
  H      -6.431000      1.319734     -1.878367
  H      -7.110544     -0.302143     -1.487668
  H      -8.525102     -0.532968      0.555322
  H      -9.161245     -1.934590      2.512600
  H      -2.475688     -2.047261      5.395525
  H      -4.588735     -0.019335      2.249627
  H      -9.285524      9.823064     -0.103440
  H      -7.896771     10.060792     -1.173508
  H      -9.301228      9.090803     -1.736064
  H      -7.401326     10.280308      1.238119
  H      -5.807323     10.314309      3.154744
  H      -5.052856      3.504470      3.590106
  H      -6.497048      6.117058      0.593661
  H     -10.754213      3.688164     -1.177297
  H      -9.548981      4.865294     -0.557181
  H     -11.099416      4.688578      0.272650
  H      -9.260408      5.571590      1.635721
  H      -8.212276      6.092213      3.842562
  H      -6.496059      1.427688      7.244629
  H      -8.878643      1.361488      2.469255
  N      -3.173797      1.922031      3.130367
  N      -3.415684      2.576043      1.923672
  H      -4.126316      2.024541      1.330484
  H      -2.538394      2.637952      1.384510
  H      -3.855990      3.644455      1.976185
91
Coordinates from ORCA-job orca E -6725.229884851971
  N      -1.908721      0.036891      5.202639
  Mo     -3.325050      1.517496      4.856462
  N      -4.484697      1.377087      6.601162
  C      -3.948227      1.757785      7.905991
  C      -2.429700      1.711215      7.828593
  N      -1.898521      2.248751      6.530122
  C      -0.547558      1.656791      6.257632
  C      -0.671360      0.168221      5.942057
  C      -1.788142      3.740927      6.498246
  C      -3.118059      4.406296      6.190640
  N      -3.796153      3.630469      5.160960
  H       0.193029     -0.145151      5.335435
  H      -0.685776     -0.460243      6.846404
  H      -0.149063      2.180590      5.379535
  H       0.129283      1.841022      7.107277
  H      -3.763280      4.459684      7.082168
  H      -2.947577      5.440588      5.855571
  H      -1.360954      4.103698      7.446836
  H      -1.081116      3.979831      5.692524
  H      -4.280404      1.062359      8.695529
  H      -4.300106      2.761731      8.193433
  H      -2.108636      0.664647      7.892415
  H      -1.968110      2.257889      8.666034
  C      -6.968036      0.685928     -1.112794
  C      -6.124378      0.673582      0.125262
  O      -5.098008      1.374845      0.172402
  C      -6.526308     -0.182679      1.265551
  C      -7.805060     -0.769711      1.337909
  C      -8.160988     -1.553294      2.428355
  C      -7.229237     -1.781685      3.437632
  F      -7.596960     -2.537028      4.476530
  C      -5.934968     -1.230196      3.394739
  C      -4.892105     -1.583294      4.392242
  O      -4.851301     -2.659796      4.974458
  N      -3.866150     -0.628067      4.547358
  C      -2.702370     -1.009416      5.077165
  C      -5.615973     -0.422749      2.301362
  C      -8.629202      9.358378     -0.893086
  C      -8.011300      8.092759     -0.351664
  O      -8.272859      6.996539     -0.843292
  C      -7.060138      8.195759      0.799067
  C      -6.886038      9.378596      1.537518
  C      -6.028919      9.404916      2.633401
  C      -5.351062      8.244623      2.996751
  F      -4.519172      8.315960      4.053419
  C      -5.485412      7.044802      2.276921
  C      -4.845725      5.755729      2.648754
  O      -4.587724      4.933310      1.707166
  N      -4.597647      5.515988      3.952666
  C      -4.494335      4.214315      4.215236
  C      -6.339287      7.056220      1.168882
  C     -10.295162      4.103776     -0.290176
  C      -9.738761      3.022662      0.597824
  O      -9.782081      1.837203      0.265816
  C      -9.109930      3.415251      1.897076
  C      -8.886083      4.756337      2.251263
  C      -8.276315      5.074995      3.461876
  C      -7.872172      4.041380      4.298409
  F      -7.300637      4.365533      5.483647
  C      -8.062161      2.690436      3.978882
  C      -7.597817      1.576659      4.877003
  O      -8.339714      0.647460      5.183891
  N      -6.247879      1.645028      5.181574
  C      -5.809112      1.455438      6.395960
  C      -8.714081      2.401912      2.780717
  H      -7.964502      1.097047     -0.880001
  H      -6.487862      1.303812     -1.878239
  H      -7.127521     -0.334573     -1.490610
  H      -8.542992     -0.579598      0.559170
  H      -9.156443     -1.987165      2.519128
  H      -2.462653     -2.040630      5.373761
  H      -4.610420     -0.010773      2.245190
  H      -9.274685      9.826615     -0.133478
  H      -7.855315     10.095218     -1.154981
  H      -9.230256      9.118788     -1.776290
  H      -7.424681     10.286414      1.265452
  H      -5.873703     10.312443      3.217083
  H      -5.072851      3.511707      3.601567
  H      -6.464588      6.140751      0.590872
  H     -10.738416      3.648225     -1.181749
  H      -9.504205      4.809576     -0.589665
  H     -11.057970      4.690651      0.244059
  H      -9.180404      5.561051      1.577742
  H      -8.104633      6.107812      3.764903
  H      -6.489238      1.426531      7.263747
  H      -8.907712      1.363211      2.515130
  N      -3.198014      1.933004      3.129269
  N      -3.458639      2.583110      1.923998
  H      -4.140793      2.004792      1.323757
  H      -2.581500      2.682034      1.390171
  H      -3.944137      3.631373      1.975781
91
Coordinates from ORCA-job orca E -6725.229362446473
  N      -1.881671      0.057420      5.196871
  Mo     -3.311492      1.525863      4.852684
  N      -4.485553      1.352940      6.585070
  C      -3.965124      1.712332      7.902192
  C      -2.445230      1.686250      7.834885
  N      -1.911551      2.251946      6.549584
  C      -0.549700      1.683183      6.280754
  C      -0.649807      0.197028      5.943335
  C      -1.821437      3.746224      6.540086
  C      -3.157478      4.395340      6.227044
  N      -3.808957      3.626212      5.176160
  H       0.221077     -0.093311      5.334540
  H      -0.656467     -0.445300      6.837965
  H      -0.151467      2.225420      5.413879
  H       0.117054      1.865247      7.138792
  H      -3.814422      4.422259      7.111282
  H      -3.001323      5.438119      5.911970
  H      -1.408306      4.101740      7.497536
  H      -1.110683      4.005468      5.743987
  H      -4.293201      0.994315      8.673000
  H      -4.332746      2.704358      8.211220
  H      -2.112894      0.642339      7.881155
  H      -1.995048      2.222985      8.684725
  C      -6.970123      0.732453     -1.099737
  C      -6.123699      0.721165      0.134952
  O      -5.117271      1.450053      0.196092
  C      -6.517074     -0.144231      1.271105
  C      -7.794933     -0.732708      1.350202
  C      -8.139773     -1.525661      2.437537
  C      -7.196713     -1.764102      3.433859
  F      -7.553163     -2.527466      4.471034
  C      -5.901420     -1.216356      3.379301
  C      -4.845284     -1.583191      4.356919
  O      -4.809828     -2.656867      4.944753
  N      -3.827585     -0.621449      4.522866
  C      -2.662310     -0.995801      5.058750
  C      -5.595713     -0.394732      2.293669
  C      -8.580732      9.304483     -0.983399
  C      -7.970637      8.043237     -0.423204
  O      -8.255363      6.939803     -0.885142
  C      -7.031307      8.155904      0.735902
  C      -6.849096      9.350283      1.453240
  C      -6.000330      9.388029      2.555153
  C      -5.339365      8.226917      2.945932
  F      -4.513529      8.308165      4.006564
  C      -5.481955      7.014982      2.247854
  C      -4.853253      5.726946      2.646260
  O      -4.605102      4.878849      1.726255
  N      -4.622926      5.504968      3.957184
  C      -4.505456      4.209247      4.227493
  C      -6.327383      7.015051      1.133651
  C     -10.383355      4.202052     -0.199249
  C      -9.808752      3.091167      0.638355
  O      -9.850161      1.919214      0.260473
  C      -9.155670      3.437855      1.938548
  C      -8.926363      4.765871      2.334966
  C      -8.296304      5.042663      3.545760
  C      -7.878634      3.981625      4.339933
  F      -7.289705      4.263462      5.527435
  C      -8.072001      2.642470      3.975487
  C      -7.581881      1.499917      4.822876
  O      -8.322505      0.577511      5.152647
  N      -6.239458      1.597487      5.150569
  C      -5.809194      1.411140      6.368548
  C      -8.743025      2.394630      2.779038
  H      -7.971200      1.124921     -0.856754
  H      -6.503405      1.361258     -1.864127
  H      -7.113840     -0.288410     -1.483250
  H      -8.540885     -0.533426      0.581694
  H      -9.134727     -1.959008      2.536355
  H      -2.413976     -2.026500      5.350081
  H      -4.590577      0.016866      2.228637
  H      -9.217390      9.791623     -0.228139
  H      -7.802282     10.029773     -1.263034
  H      -9.188979      9.054683     -1.858818
  H      -7.374306     10.259109      1.159023
  H      -5.838894     10.305167      3.121876
  H      -5.062645      3.503058      3.597863
  H      -6.456905      6.091417      0.571298
  H     -10.848684      3.778754     -1.095348
  H      -9.596592      4.915012     -0.492942
  H     -11.129827      4.775421      0.371273
  H      -9.232318      5.594414      1.696139
  H      -8.119980      6.064830      3.879772
  H      -6.496912      1.361184      7.229285
  H      -8.938291      1.365797      2.477999
  N      -3.178901      1.955871      3.128837
  N      -3.429107      2.610328      1.920682
  H      -4.087993      2.023097      1.299619
  H      -2.543215      2.726298      1.405330
  H      -3.919007      3.643457      1.974603
91
Coordinates from ORCA-job orca E -6725.230055642066
  N      -1.892788      0.041538      5.205684
  Mo     -3.315079      1.515197      4.854141
  N      -4.486022      1.363861      6.590408
  C      -3.959976      1.736519      7.901732
  C      -2.440660      1.699327      7.832918
  N      -1.904979      2.247925      6.540964
  C      -0.548204      1.666445      6.274528
  C      -0.659920      0.178345      5.951467
  C      -1.804281      3.741167      6.516701
  C      -3.135971      4.398725      6.200828
  N      -3.798862      3.623414      5.161150
  H       0.209286     -0.125610      5.346928
  H      -0.673364     -0.454599      6.852693
  H      -0.147721      2.197088      5.401486
  H       0.121836      1.851465      7.129373
  H      -3.789475      4.442254      7.086865
  H      -2.970612      5.436162      5.872935
  H      -1.386694      4.102655      7.470011
  H      -1.092901      3.988004      5.717231
  H      -4.292710      1.032217      8.683119
  H      -4.319559      2.735738      8.196209
  H      -2.114484      0.654024      7.891274
  H      -1.986646      2.242803      8.676518
  C      -6.979061      0.717757     -1.094288
  C      -6.129342      0.698157      0.139110
  O      -5.107049      1.405202      0.189031
  C      -6.522023     -0.169789      1.273863
  C      -7.799507     -0.759095      1.350323
  C      -8.146728     -1.551894      2.436957
  C      -7.207501     -1.787132      3.437654
  F      -7.567396     -2.549437      4.474331
  C      -5.914017     -1.234255      3.389566
  C      -4.864506     -1.591511      4.378499
  O      -4.823105     -2.667769      4.961161
  N      -3.843156     -0.632280      4.538498
  C      -2.679730     -1.008734      5.074169
  C      -5.603736     -0.417642      2.300670
  C      -8.622586      9.318093     -0.934586
  C      -8.002801      8.056536     -0.385992
  O      -8.270924      6.956027     -0.864570
  C      -7.056290      8.166812      0.767715
  C      -6.884382      9.354278      1.499260
  C      -6.031166      9.387505      2.598006
  C      -5.355331      8.229215      2.971428
  F      -4.527410      8.306435      4.030778
  C      -5.487835      7.024821      2.258872
  C      -4.849779      5.737441      2.640078
  O      -4.592583      4.908241      1.704861
  N      -4.605675      5.504476      3.946404
  C      -4.494587      4.204985      4.211746
  C      -6.336911      7.029586      1.147254
  C     -10.327831      4.181032     -0.250401
  C      -9.758477      3.082436      0.607235
  O      -9.799931      1.904639      0.248452
  C      -9.122977      3.447574      1.911171
  C      -8.901983      4.781205      2.293488
  C      -8.284598      5.075294      3.506558
  C      -7.871259      4.025354      4.317591
  F      -7.290078      4.324902      5.504569
  C      -8.059942      2.681087      3.970194
  C      -7.587028      1.550349      4.842728
  O      -8.328297      0.620284      5.148573
  N      -6.240638      1.628152      5.159779
  C      -5.809357      1.435559      6.376448
  C      -8.718057      2.416378      2.769970
  H      -7.976481      1.120557     -0.851816
  H      -6.506557      1.344565     -1.857240
  H      -7.134204     -0.300605     -1.479913
  H      -8.543451     -0.562062      0.579168
  H      -9.141262     -1.986972      2.532052
  H      -2.436224     -2.038987      5.371027
  H      -4.599575     -0.002876      2.240784
  H      -9.265317      9.791963     -0.176102
  H      -7.849550     10.052870     -1.204559
  H      -9.226670      9.072121     -1.813952
  H      -7.421738     10.260514      1.219435
  H      -5.877900     10.298845      3.176223
  H      -5.062820      3.499567      3.591447
  H      -6.459134      6.110668      0.573948
  H     -10.779415      3.744416     -1.147218
  H      -9.542285      4.896088     -0.542265
  H     -11.086011      4.754315      0.304781
  H      -9.203403      5.600043      1.640381
  H      -8.113876      6.102056      3.829834
  H      -6.495424      1.398351      7.239228
  H      -8.910044      1.383233      2.482504
  N      -3.179526      1.934467      3.128407
  N      -3.430713      2.587581      1.922226
  H      -4.112252      2.013580      1.316242
  H      -2.550091      2.683260      1.393558
  H      -3.906314      3.635905      1.976613
91
Coordinates from ORCA-job orca E -6725.229982745214
  N      -1.911699      0.031002      5.206939
  Mo     -3.319674      1.519232      4.860360
  N      -4.482601      1.378167      6.602272
  C      -3.947862      1.754898      7.908894
  C      -2.429065      1.705213      7.833421
  N      -1.894492      2.242108      6.535789
  C      -0.545193      1.644938      6.264769
  C      -0.674646      0.156696      5.947532
  C      -1.778506      3.734159      6.505446
  C      -3.107055      4.403769      6.201145
  N      -3.787656      3.632224      5.170093
  H       0.188844     -0.159159      5.340896
  H      -0.691683     -0.472930      6.851039
  H      -0.143136      2.168174      5.387987
  H       0.130864      1.825732      7.115762
  H      -3.750988      4.456197      7.093680
  H      -2.934804      5.438624      5.868795
  H      -1.348107      4.094349      7.453572
  H      -1.072268      3.971063      5.698421
  H      -4.282313      1.057810      8.696014
  H      -4.298390      2.758611      8.199026
  H      -2.110713      0.657830      7.896582
  H      -1.966905      2.250157      8.671603
  C      -6.933261      0.720019     -1.123153
  C      -6.088286      0.690774      0.113023
  O      -5.047456      1.370226      0.159031
  C      -6.509710     -0.152058      1.256492
  C      -7.800169     -0.713073      1.330791
  C      -8.171044     -1.487221      2.423259
  C      -7.243532     -1.731574      3.432843
  F      -7.625744     -2.475968      4.474519
  C      -5.939194     -1.204556      3.388213
  C      -4.902921     -1.569805      4.387405
  O      -4.876157     -2.644852      4.973099
  N      -3.870859     -0.622026      4.546409
  C      -2.710101     -1.010971      5.078304
  C      -5.605183     -0.405783      2.293396
  C      -8.650675      9.312694     -0.900626
  C      -8.020170      8.054236     -0.357130
  O      -8.293990      6.951544     -0.827365
  C      -7.064037      8.169637      0.788073
  C      -6.887913      9.359516      1.514540
  C      -6.025969      9.397026      2.606319
  C      -5.345839      8.240648      2.978012
  F      -4.509849      8.322085      4.030645
  C      -5.481841      7.034071      2.269908
  C      -4.840211      5.748392      2.651169
  O      -4.588818      4.915454      1.717492
  N      -4.594484      5.516921      3.956954
  C      -4.486697      4.217399      4.225252
  C      -6.339746      7.034630      1.165184
  C     -10.323373      4.112404     -0.271374
  C      -9.754809      3.026789      0.603263
  O      -9.793071      1.844097      0.260609
  C      -9.121704      3.410971      1.902965
  C      -8.900818      4.750069      2.265813
  C      -8.285968      5.061773      3.475717
  C      -7.874524      4.023725      4.302976
  F      -7.297619      4.341014      5.487383
  C      -8.063162      2.674441      3.975322
  C      -7.590284      1.555871      4.863845
  O      -8.331047      0.629373      5.181259
  N      -6.242844      1.636493      5.177081
  C      -5.806879      1.454980      6.393886
  C      -8.719313      2.392502      2.777855
  H      -7.919012      1.154335     -0.887995
  H      -6.441040      1.323546     -1.892228
  H      -7.116521     -0.297975     -1.497132
  H      -8.533822     -0.511458      0.550960
  H      -9.174681     -1.901573      2.515306
  H      -2.476298     -2.044045      5.373187
  H      -4.591933     -0.013341      2.236146
  H      -9.285185      9.786459     -0.135163
  H      -7.883302     10.049065     -1.182042
  H      -9.265016      9.062884     -1.771778
  H      -7.429063     10.264078      1.236620
  H      -5.869268     10.310204      3.180725
  H      -5.063082      3.514491      3.609751
  H      -6.465894      6.114076      0.595735
  H     -10.772337      3.662131     -1.162730
  H      -9.537680      4.823764     -0.571965
  H     -11.083573      4.693046      0.273265
  H      -9.200452      5.558939      1.599653
  H      -8.115378      6.093081      3.784346
  H      -6.489274      1.423109      7.259780
  H      -8.911003      1.355318      2.505239
  N      -3.189991      1.938093      3.133856
  N      -3.446958      2.592345      1.929114
  H      -4.127724      2.015985      1.324419
  H      -2.568091      2.692504      1.398384
  H      -3.931698      3.638596      1.982952
91
Coordinates from ORCA-job orca E -6725.230065327113
  N      -1.903614      0.034783      5.209230
  Mo     -3.317033      1.516556      4.858473
  N      -4.484551      1.370762      6.596945
  C      -3.955032      1.752756      7.904264
  C      -2.435910      1.709849      7.833687
  N      -1.899521      2.246805      6.536814
  C      -0.547221      1.654345      6.270716
  C      -0.670065      0.165523      5.954844
  C      -1.788421      3.739134      6.503840
  C      -3.118099      4.404402      6.195367
  N      -3.795710      3.627825      5.165977
  H       0.197181     -0.148180      5.352459
  H      -0.688908     -0.462826      6.859210
  H      -0.144377      2.177941      5.394497
  H       0.125479      1.838658      7.123606
  H      -3.763333      4.458385      7.086866
  H      -2.947651      5.438562      5.859873
  H      -1.361131      4.102563      7.452142
  H      -1.081171      3.976738      5.697909
  H      -4.289024      1.056385      8.692204
  H      -4.310763      2.755723      8.190474
  H      -2.112994      0.664016      7.899967
  H      -1.979012      2.258432      8.672391
  C      -6.954520      0.712677     -1.112890
  C      -6.111628      0.694634      0.125268
  O      -5.085161      1.395331      0.177074
  C      -6.516197     -0.164809      1.262241
  C      -7.796388     -0.749111      1.332760
  C      -8.153589     -1.536485      2.420167
  C      -7.221701     -1.771487      3.427805
  F      -7.590359     -2.530292      4.463900
  C      -5.926043     -1.223130      3.385868
  C      -4.883402     -1.582002      4.380952
  O      -4.846051     -2.659137      4.962217
  N      -3.857637     -0.627477      4.541718
  C      -2.696066     -1.011049      5.076027
  C      -5.606073     -0.411291      2.296349
  C      -8.635074      9.315507     -0.920111
  C      -8.015760      8.054324     -0.370177
  O      -8.289746      6.952727     -0.842897
  C      -7.060636      8.166697      0.776177
  C      -6.881227      9.356277      1.502398
  C      -6.020951      9.390978      2.595558
  C      -5.345603      8.232283      2.968675
  F      -4.511076      8.311146      4.022687
  C      -5.485042      7.025893      2.260935
  C      -4.849473      5.738012      2.644543
  O      -4.600105      4.902666      1.712014
  N      -4.603849      5.508321      3.950329
  C      -4.495601      4.208993      4.219800
  C      -6.341262      7.029142      1.154847
  C     -10.320799      4.160632     -0.254846
  C      -9.750928      3.066278      0.608005
  O      -9.782206      1.887997      0.249855
  C      -9.123412      3.436664      1.914412
  C      -8.909807      4.772034      2.294952
  C      -8.299056      5.071286      3.510053
  C      -7.884097      4.024710      4.324674
  F      -7.310753      4.329517      5.514156
  C      -8.065546      2.678873      3.979385
  C      -7.590602      1.551676      4.855653
  O      -8.328925      0.619160      5.160756
  N      -6.243305      1.631273      5.169620
  C      -5.808666      1.444129      6.385912
  C      -8.718169      2.409024      2.777194
  H      -7.950740      1.122977     -0.878276
  H      -6.473852      1.332037     -1.876724
  H      -7.113968     -0.306690     -1.493978
  H      -8.534195     -0.553662      0.555302
  H      -9.150011     -1.968397      2.509834
  H      -2.457967     -2.043214      5.370606
  H      -4.599498     -0.001705      2.241107
  H      -9.271629      9.794627     -0.159723
  H      -7.861276     10.046606     -1.197754
  H      -9.245304      9.067846     -1.794751
  H      -7.418514     10.262749      1.223228
  H      -5.861814     10.303757      3.169923
  H      -5.070044      3.503603      3.605199
  H      -6.469971      6.108771      0.585709
  H     -10.763051      3.719955     -1.154335
  H      -9.537982      4.880606     -0.541963
  H     -11.087047      4.729095      0.294212
  H      -9.212114      5.587887      1.638593
  H      -8.134314      6.099380      3.832181
  H      -6.492341      1.409813      7.250712
  H      -8.904474      1.374426      2.491350
  N      -3.180908      1.937618      3.132972
  N      -3.435740      2.591867      1.928060
  H      -4.111256      2.013240      1.319937
  H      -2.555240      2.695439      1.400794
  H      -3.924976      3.638043      1.979118
91
Coordinates from ORCA-job orca E -6725.229984087775
  N      -1.896031      0.038426      5.211269
  Mo     -3.316129      1.513489      4.857324
  N      -4.488013      1.363629      6.592476
  C      -3.964200      1.747662      7.901460
  C      -2.444743      1.708851      7.836307
  N      -1.905482      2.248662      6.541940
  C      -0.550073      1.662083      6.279446
  C      -0.665285      0.173521      5.960921
  C      -1.799848      3.741304      6.510463
  C      -3.130060      4.402161      6.195160
  N      -3.800258      3.623076      5.162748
  H       0.205299     -0.135544      5.360963
  H      -0.684511     -0.456162      6.864330
  H      -0.146713      2.188446      5.405114
  H       0.119335      1.848025      7.134579
  H      -3.780005      4.453753      7.083343
  H      -2.961499      5.436891      5.860407
  H      -1.379104      4.105769      7.461279
  H      -1.089189      3.982236      5.708560
  H      -4.299164      1.050797      8.688542
  H      -4.323646      2.749828      8.185683
  H      -2.119132      0.663853      7.902978
  H      -1.992585      2.257954      8.677284
  C      -6.978753      0.734759     -1.089545
  C      -6.129952      0.712741      0.144672
  O      -5.105452      1.416453      0.195154
  C      -6.524319     -0.156806      1.277520
  C      -7.802830     -0.743960      1.352697
  C      -8.151340     -1.539083      2.437240
  C      -7.212226     -1.779369      3.436889
  F      -7.573264     -2.544417      4.471048
  C      -5.917605     -1.229030      3.389850
  C      -4.867899     -1.591225      4.376743
  O      -4.830030     -2.667465      4.959668
  N      -3.845787     -0.633158      4.539672
  C      -2.683828     -1.011070      5.076699
  C      -5.606291     -0.409466      2.303414
  C      -8.641249      9.322690     -0.908350
  C      -8.023173      8.059601     -0.361459
  O      -8.300724      6.959031     -0.834582
  C      -7.063703      8.168759      0.781643
  C      -6.880104      9.356749      1.509487
  C      -6.016570      9.387986      2.600243
  C      -5.342400      8.227379      2.969481
  F      -4.504933      8.302729      4.021453
  C      -5.486498      7.022468      2.260208
  C      -4.854760      5.732096      2.640936
  O      -4.600117      4.901615      1.705414
  N      -4.604739      5.502297      3.946201
  C      -4.497789      4.202464      4.214159
  C      -6.345231      7.029337      1.156122
  C     -10.327250      4.156459     -0.265225
  C      -9.767400      3.059145      0.600561
  O      -9.831208      1.877860      0.257055
  C      -9.118920      3.429534      1.896641
  C      -8.878549      4.764373      2.263105
  C      -8.248281      5.063724      3.468068
  C      -7.842532      4.017229      4.287375
  F      -7.245459      4.322079      5.465207
  C      -8.050953      2.671912      3.956290
  C      -7.585320      1.545109      4.837503
  O      -8.333375      0.624652      5.155275
  N      -6.239020      1.619151      5.156531
  C      -5.811013      1.434449      6.375531
  C      -8.720738      2.402466      2.763494
  H      -7.974737      1.141789     -0.848594
  H      -6.503064      1.359460     -1.852314
  H      -7.137593     -0.282937     -1.475349
  H      -8.546740     -0.543557      0.582401
  H      -9.146693     -1.972548      2.531100
  H      -2.441918     -2.041856      5.372970
  H      -4.601143      0.003144      2.244627
  H      -9.275343      9.802037     -0.146057
  H      -7.866486     10.052613     -1.186451
  H      -9.253806      9.077434     -1.782029
  H      -7.416655     10.264639      1.233513
  H      -5.854100     10.299423      3.175788
  H      -5.070990      3.496182      3.599508
  H      -6.477187      6.110081      0.585758
  H     -10.789667      3.716090     -1.154704
  H      -9.534728      4.858705     -0.569055
  H     -11.075342      4.744258      0.288502
  H      -9.174306      5.579308      1.602608
  H      -8.060804      6.091462      3.778606
  H      -6.498982      1.402566      7.236999
  H      -8.927178      1.368495      2.489071
  N      -3.177034      1.935447      3.132513
  N      -3.429310      2.592398      1.928901
  H      -4.112342      2.020683      1.322718
  H      -2.549532      2.687863      1.398966
  H      -3.907300      3.644269      1.984452
91
Coordinates from ORCA-job orca E -6725.230070557124
  N      -1.898871      0.034434      5.210370
  Mo     -3.314739      1.513500      4.858008
  N      -4.484634      1.365307      6.594719
  C      -3.957526      1.747444      7.902985
  C      -2.438278      1.707144      7.834532
  N      -1.900908      2.245871      6.538837
  C      -0.547113      1.656027      6.274591
  C      -0.666723      0.167149      5.958020
  C      -1.792507      3.738445      6.506581
  C      -3.122767      4.401481      6.195937
  N      -3.797142      3.623860      5.165178
  H       0.202083     -0.144818      5.356984
  H      -0.685952     -0.461398      6.862233
  H      -0.143943      2.180677      5.399155
  H       0.123917      1.841318      7.128578
  H      -3.769728      4.453996      7.086273
  H      -2.953600      5.436016      5.860911
  H      -1.367315      4.102288      7.455652
  H      -1.084495      3.977526      5.701761
  H      -4.291572      1.050213      8.690136
  H      -4.315332      2.749686      8.189112
  H      -2.113870      0.661731      7.900389
  H      -1.983433      2.255753      8.674335
  C      -6.964221      0.731698     -1.102426
  C      -6.113380      0.702397      0.129963
  O      -5.084387      1.399508      0.179752
  C      -6.515150     -0.160699      1.265291
  C      -7.796327     -0.742365      1.339060
  C      -8.150679     -1.533015      2.425053
  C      -7.215406     -1.773066      3.428342
  F      -7.581763     -2.533741      4.463959
  C      -5.919178     -1.226331      3.383678
  C      -4.874200     -1.587591      4.375568
  O      -4.838239     -2.664098      4.958144
  N      -3.850416     -0.631499      4.539375
  C      -2.688964     -1.013002      5.075689
  C      -5.601481     -0.412302      2.295096
  C      -8.630456      9.303391     -0.933990
  C      -8.008596      8.043638     -0.383727
  O      -8.276637      6.941756     -0.859245
  C      -7.060837      8.157300      0.768504
  C      -6.890756      9.345913      1.498604
  C      -6.036563      9.381993      2.596474
  C      -5.358130      8.225475      2.970627
  F      -4.529327      8.305522      4.029039
  C      -5.488718      7.020049      2.259490
  C      -4.849409      5.734112      2.642977
  O      -4.592835      4.902484      1.708882
  N      -4.605964      5.503434      3.949112
  C      -4.496145      4.204068      4.217831
  C      -6.338716      7.021964      1.148580
  C     -10.327776      4.175876     -0.247299
  C      -9.756168      3.078716      0.610647
  O      -9.793013      1.900997      0.251053
  C      -9.123228      3.444932      1.915614
  C      -8.903884      4.778927      2.297537
  C      -8.287702      5.074140      3.510979
  C      -7.873852      4.024973      4.322748
  F      -7.293934      4.325745      5.510044
  C      -8.061393      2.680321      3.976039
  C      -7.588361      1.550197      4.849623
  O      -8.329223      0.619790      5.155011
  N      -6.241454      1.627597      5.165339
  C      -5.808437      1.438342      6.381858
  C      -8.718536      2.414571      2.775454
  H      -7.957158      1.144555     -0.858794
  H      -6.485934      1.353573     -1.865762
  H      -7.130181     -0.284874     -1.488310
  H      -8.537002     -0.541992      0.565620
  H      -9.147670     -1.963060      2.517376
  H      -2.449137     -2.044716      5.370395
  H      -4.594753     -0.003445      2.237728
  H      -9.272888      9.778026     -0.175726
  H      -7.858353     10.038403     -1.205945
  H      -9.235184      9.055208     -1.812287
  H      -7.430261     10.250745      1.218385
  H      -5.884519     10.294244      3.173587
  H      -5.068514      3.498098      3.601886
  H      -6.459644      6.102312      0.576340
  H     -10.774861      3.738124     -1.145822
  H      -9.545268      4.895472     -0.536055
  H     -11.090562      4.744469      0.306489
  H      -9.205539      5.597125      1.643739
  H      -8.118052      6.101269      3.833684
  H      -6.493260      1.403985      7.245746
  H      -8.909592      1.381155      2.488536
  N      -3.177143      1.935448      3.132871
  N      -3.431872      2.591139      1.929043
  H      -4.110330      2.015204      1.321528
  H      -2.551920      2.692752      1.400456
  H      -3.917708      3.639418      1.982765
91
Coordinates from ORCA-job orca E -6725.230059732072
  N      -1.907375      0.034180      5.210665
  Mo     -3.318671      1.518097      4.859540
  N      -4.486029      1.374312      6.598113
  C      -3.956424      1.759400      7.904501
  C      -2.437306      1.713691      7.834790
  N      -1.899211      2.247147      6.537121
  C      -0.548187      1.651344      6.271918
  C      -0.674105      0.162656      5.957142
  C      -1.784377      3.739068      6.502183
  C      -3.112765      4.407106      6.194340
  N      -3.793714      3.630596      5.167034
  H       0.192972     -0.153637      5.355872
  H      -0.695346     -0.464879      6.862015
  H      -0.143956      2.173236      5.395314
  H       0.124786      1.834915      7.124758
  H      -3.756709      4.463751      7.086596
  H      -2.940300      5.440363      5.857161
  H      -1.355426      4.102589      7.449712
  H      -1.077225      3.973983      5.695385
  H      -4.291869      1.065939      8.694394
  H      -4.310638      2.763812      8.187454
  H      -2.116151      0.667483      7.903501
  H      -1.980025      2.263270      8.672648
  C      -6.948469      0.706406     -1.117080
  C      -6.112554      0.697119      0.125990
  O      -5.087415      1.399572      0.179676
  C      -6.519116     -0.161090      1.263244
  C      -7.799180     -0.745913      1.331951
  C      -8.157954     -1.532569      2.419361
  C      -7.227396     -1.767184      3.428357
  F      -7.597322     -2.526153      4.463885
  C      -5.931669     -1.218884      3.387944
  C      -4.889896     -1.578311      4.383744
  O      -4.852086     -2.656376      4.963235
  N      -3.862590     -0.625188      4.543251
  C      -2.701581     -1.010364      5.077276
  C      -5.610585     -0.406810      2.298906
  C      -8.650899      9.321013     -0.896014
  C      -8.029882      8.059432     -0.348954
  O      -8.314790      6.957073     -0.813425
  C      -7.063321      8.171947      0.787773
  C      -6.873102      9.362913      1.508878
  C      -6.003053      9.397550      2.594319
  C      -5.328849      8.237388      2.964899
  F      -4.484980      8.315957      4.011459
  C      -5.478939      7.029543      2.261861
  C      -4.846824      5.739976      2.645289
  O      -4.603513      4.901733      1.713576
  N      -4.597729      5.511968      3.950502
  C      -4.493249      4.212370      4.221239
  C      -6.344613      7.032873      1.163226
  C     -10.317265      4.141638     -0.267860
  C      -9.751817      3.049917      0.601260
  O      -9.789191      1.869548      0.250712
  C      -9.121630      3.425423      1.904933
  C      -8.903570      4.762243      2.277948
  C      -8.290597      5.066248      3.490663
  C      -7.877974      4.022816      4.310527
  F      -7.301914      4.332499      5.497466
  C      -8.063735      2.675672      3.972794
  C      -7.590951      1.551878      4.854535
  O      -8.330711      0.621823      5.163532
  N      -6.243748      1.631269      5.169175
  C      -5.810034      1.448129      6.386374
  C      -8.718434      2.401257      2.772739
  H      -7.947185      1.115096     -0.890318
  H      -6.465334      1.323081     -1.881543
  H      -7.102782     -0.315320     -1.493906
  H      -8.535771     -0.551609      0.553023
  H      -9.154393     -1.964714      2.507623
  H      -2.465172     -2.042838      5.372135
  H      -4.603833      0.002534      2.244759
  H      -9.277716      9.804558     -0.130336
  H      -7.877610     10.048626     -1.184013
  H      -9.271277      9.072817     -1.763327
  H      -7.409828     10.270444      1.232070
  H      -5.835524     10.311311      3.164724
  H      -5.070989      3.507810      3.608889
  H      -6.482206      6.111329      0.598203
  H     -10.761457      3.697390     -1.164643
  H      -9.531589      4.856792     -0.559278
  H     -11.081256      4.716292      0.277902
  H      -9.204090      5.575133      1.617148
  H      -8.122026      6.095502      3.807072
  H      -6.494243      1.415797      7.250831
  H      -8.907912      1.365624      2.492675
  N      -3.181821      1.939454      3.134147
  N      -3.436379      2.594152      1.929324
  H      -4.111751      2.015601      1.321249
  H      -2.555697      2.696900      1.402288
  H      -3.926577      3.641869      1.979091
91
Coordinates from ORCA-job orca E -6725.230075412676
  N      -1.903608      0.031934      5.212216
  Mo     -3.315828      1.514218      4.859736
  N      -4.484354      1.368319      6.597278
  C      -3.956113      1.755864      7.903553
  C      -2.436930      1.713345      7.834757
  N      -1.899025      2.246241      6.536713
  C      -0.547103      1.651549      6.273130
  C      -0.671395      0.162292      5.960149
  C      -1.786100      3.738377      6.499885
  C      -3.115580      4.404599      6.192557
  N      -3.796696      3.625894      5.166952
  H       0.196757     -0.154112      5.360483
  H      -0.693274     -0.463912      6.865934
  H      -0.142748      2.172804      5.396203
  H       0.124915      1.836875      7.126325
  H      -3.758601      4.461900      7.085443
  H      -2.944469      5.437569      5.853744
  H      -1.356433      4.103496      7.446467
  H      -1.080137      3.973045      5.691963
  H      -4.290664      1.062705      8.694089
  H      -4.312582      2.759865      8.185079
  H      -2.113743      0.667835      7.904881
  H      -1.981180      2.264848      8.672168
  C      -6.954210      0.725612     -1.110469
  C      -6.109929      0.702755      0.126656
  O      -5.081711      1.400787      0.178859
  C      -6.515257     -0.158271      1.262270
  C      -7.796489     -0.740234      1.332957
  C      -8.153906     -1.529503      2.418953
  C      -7.221364     -1.768553      3.425046
  F      -7.590333     -2.528847      4.459967
  C      -5.924924     -1.222041      3.383167
  C      -4.882105     -1.583766      4.377035
  O      -4.846710     -2.661036      4.958207
  N      -3.856586     -0.629403      4.540762
  C      -2.695890     -1.013709      5.076690
  C      -5.604576     -0.408553      2.294984
  C      -8.636498      9.308295     -0.924156
  C      -8.017480      8.047460     -0.373174
  O      -8.290135      6.945659     -0.846256
  C      -7.063912      8.160337      0.774357
  C      -6.886893      9.349729      1.501474
  C      -6.027949      9.384982      2.595667
  C      -5.351596      8.226976      2.968975
  F      -4.518173      8.306277      4.023806
  C      -5.488946      7.020714      2.260563
  C      -4.853054      5.733379      2.644894
  O      -4.600501      4.899045      1.711729
  N      -4.607279      5.504544      3.950454
  C      -4.498189      4.205295      4.221205
  C      -6.343677      7.023407      1.153324
  C     -10.322215      4.164814     -0.251612
  C      -9.752639      3.069200      0.609716
  O      -9.788366      1.890848      0.252139
  C      -9.122026      3.437887      1.915136
  C      -8.903677      4.772654      2.295088
  C      -8.289421      5.070188      3.508892
  C      -7.876315      4.022474      4.322966
  F      -7.298391      4.325565      5.510695
  C      -8.062929      2.677165      3.978366
  C      -7.589699      1.548663      4.853924
  O      -8.330222      0.618594      5.161011
  N      -6.242576      1.626768      5.168788
  C      -5.808460      1.441399      6.385409
  C      -8.718366      2.409145      2.777332
  H      -7.949417      1.137077     -0.873865
  H      -6.473146      1.345655     -1.873530
  H      -7.115843     -0.292650     -1.493673
  H      -8.534912     -0.541276      0.556990
  H      -9.151050     -1.959719      2.508769
  H      -2.458321     -2.046173      5.370577
  H      -4.597446     -0.000345      2.239749
  H      -9.274966      9.786787     -0.164975
  H      -7.862546     10.039959     -1.199874
  H      -9.244751      9.060488     -1.800122
  H      -7.424910     10.255699      1.222081
  H      -5.870584     10.297696      3.170622
  H      -5.073615      3.498961      3.608523
  H      -6.470466      6.103127      0.583512
  H     -10.766953      3.725211     -1.150406
  H      -9.539152      4.884049     -0.539808
  H     -11.086650      4.734048      0.299242
  H      -9.204637      5.589386      1.639184
  H      -8.120490      6.097888      3.830213
  H      -6.492430      1.408919      7.250058
  H      -8.908302      1.375105      2.491853
  N      -3.177443      1.937131      3.134796
  N      -3.433090      2.593487      1.931540
  H      -4.109390      2.016302      1.323084
  H      -2.553017      2.697314      1.403649
  H      -3.923604      3.642028      1.983413
91
Coordinates from ORCA-job orca E -6725.230074784275
  N      -1.903598      0.030912      5.213472
  Mo     -3.315159      1.513569      4.860205
  N      -4.484434      1.367637      6.597254
  C      -3.956726      1.756543      7.903371
  C      -2.437547      1.713988      7.835403
  N      -1.898873      2.245787      6.537201
  C      -0.547098      1.650287      6.274634
  C      -0.671972      0.160947      5.962462
  C      -1.785240      3.737848      6.499396
  C      -3.114486      4.404576      6.192142
  N      -3.796476      3.625444      5.167398
  H       0.196578     -0.156401      5.363872
  H      -0.695144     -0.464596      6.868671
  H      -0.142037      2.170816      5.397599
  H       0.124546      1.835791      7.128078
  H      -3.757095      4.462809      7.085255
  H      -2.942939      5.437210      5.852508
  H      -1.355023      4.103318      7.445590
  H      -1.079469      3.971622      5.691044
  H      -4.291680      1.064271      8.694513
  H      -4.313360      2.760839      8.183570
  H      -2.114421      0.668527      7.906576
  H      -1.982245      2.266179      8.672607
  C      -6.955766      0.732560     -1.109250
  C      -6.110411      0.707077      0.127101
  O      -5.082253      1.405128      0.179933
  C      -6.515173     -0.155716      1.261604
  C      -7.796263     -0.737995      1.331824
  C      -8.153281     -1.528745      2.416863
  C      -7.220560     -1.768755      3.422544
  F      -7.589243     -2.530296      4.456654
  C      -5.924306     -1.221760      3.381276
  C      -4.881519     -1.584184      4.374987
  O      -4.846585     -2.661680      4.955768
  N      -3.856135     -0.629868      4.540088
  C      -2.695949     -1.014558      5.076927
  C      -5.604173     -0.407155      2.293820
  C      -8.637581      9.302887     -0.925113
  C      -8.015195      8.043101     -0.375547
  O      -8.288418      6.940677     -0.846856
  C      -7.062810      8.157137      0.772839
  C      -6.887938      9.346740      1.500136
  C      -6.029758      9.383195      2.594896
  C      -5.352168      8.226098      2.968730
  F      -4.519495      8.306533      4.024060
  C      -5.487582      7.019601      2.260300
  C      -4.850305      5.733150      2.645031
  O      -4.598235      4.898415      1.711868
  N      -4.606047      5.504012      3.950683
  C      -4.497754      4.204617      4.221539
  C      -6.341479      7.021110      1.152411
  C     -10.325030      4.165121     -0.250021
  C      -9.754563      3.069644      0.610846
  O      -9.792067      1.891064      0.254194
  C      -9.122575      3.438478      1.915576
  C      -8.903039      4.773241      2.294827
  C      -8.287616      5.070851      3.508042
  C      -7.874767      4.023201      4.322318
  F      -7.295365      4.326310      5.509329
  C      -8.062578      2.677899      3.978402
  C      -7.590123      1.549434      4.854433
  O      -8.331047      0.619525      5.160995
  N      -6.242860      1.626430      5.168760
  C      -5.808541      1.440858      6.385231
  C      -8.718914      2.409818      2.777886
  H      -7.950817      1.143432     -0.871004
  H      -6.475354      1.354229     -1.871421
  H      -7.117593     -0.284951     -1.494411
  H      -8.534948     -0.537984      0.556396
  H      -9.150334     -1.959239      2.506355
  H      -2.458782     -2.047166      5.370603
  H      -4.597217      0.001541      2.238990
  H      -9.276019      9.779766     -0.164869
  H      -7.865488     10.036238     -1.201533
  H      -9.246515      9.054220     -1.800357
  H      -7.426929     10.252002      1.220319
  H      -5.873969     10.296153      3.169889
  H      -5.073318      3.498323      3.608894
  H      -6.466524      6.100643      0.582445
  H     -10.771243      3.725373     -1.148013
  H      -9.542279      4.884139     -0.539580
  H     -11.088514      4.734703      0.301815
  H      -9.204021      5.589947      1.638889
  H      -8.117680      6.098578      3.828754
  H      -6.492424      1.408975      7.249976
  H      -8.909914      1.375807      2.493022
  N      -3.175411      1.937326      3.135585
  N      -3.430935      2.594572      1.932996
  H      -4.107173      2.017924      1.324042
  H      -2.550826      2.698739      1.405240
  H      -3.922008      3.643992      1.985325
91
Coordinates from ORCA-job orca E -6725.230076413683
  N      -1.904429      0.030162      5.214093
  Mo     -3.315187      1.513472      4.860576
  N      -4.484247      1.367805      6.597732
  C      -3.956421      1.758405      7.903322
  C      -2.437244      1.715710      7.835384
  N      -1.898433      2.245941      6.536531
  C      -0.547036      1.649326      6.274346
  C      -0.672923      0.159823      5.963335
  C      -1.783838      3.737900      6.497358
  C      -3.113058      4.405200      6.191188
  N      -3.796819      3.625614      5.167939
  H       0.195583     -0.158698      5.365306
  H      -0.696877     -0.464944      6.870061
  H      -0.141654      2.168890      5.396884
  H       0.124752      1.835063      7.127622
  H      -3.754494      4.464484      7.085070
  H      -2.941315      5.437460      5.850536
  H      -1.352297      4.103845      7.442770
  H      -1.078829      3.970519      5.688005
  H      -4.291360      1.067197      8.695403
  H      -4.313018      2.763078      8.182185
  H      -2.114163      0.670326      7.907817
  H      -1.981915      2.268886      8.671921
  C      -6.953575      0.733049     -1.110555
  C      -6.108775      0.707429      0.126179
  O      -5.080096      1.404662      0.179231
  C      -6.514492     -0.154989      1.260637
  C      -7.795832     -0.736789      1.330330
  C      -8.153635     -1.527294      2.415297
  C      -7.221458     -1.767546      3.421430
  F      -7.590875     -2.528929      4.455393
  C      -5.924993     -1.221003      3.380693
  C      -4.882789     -1.583652      4.374884
  O      -4.848076     -2.661325      4.955339
  N      -3.857118     -0.629652      4.540193
  C      -2.697191     -1.014931      5.077202
  C      -5.604105     -0.406590      2.293329
  C      -8.637827      9.303181     -0.925003
  C      -8.016984      8.043102     -0.374365
  O      -8.290345      6.940753     -0.845772
  C      -7.063628      8.157022      0.773231
  C      -6.887400      9.346826      1.499846
  C      -6.028562      9.383133      2.594105
  C      -5.351627      8.225697      2.968055
  F      -4.518280      8.305929      4.022862
  C      -5.488344      7.018992      2.260230
  C      -4.852128      5.732222      2.645561
  O      -4.599673      4.897221      1.712569
  N      -4.607535      5.503673      3.951068
  C      -4.498930      4.204327      4.222520
  C      -6.342849      7.020640      1.152827
  C     -10.324044      4.164423     -0.249595
  C      -9.754320      3.068771      0.611544
  O      -9.790613      1.890370      0.254183
  C      -9.122874      3.437436      1.916590
  C      -8.903802      4.772169      2.296229
  C      -8.288869      5.069636      3.509712
  C      -7.875937      4.021878      4.323819
  F      -7.297077      4.324861      5.511137
  C      -8.063252      2.676611      3.979514
  C      -7.590377      1.548030      4.855207
  O      -8.331145      0.618130      5.162145
  N      -6.243115      1.625434      5.169464
  C      -5.808450      1.440860      6.385934
  C      -8.719216      2.408661      2.778761
  H      -7.948543      1.144376     -0.872807
  H      -6.472593      1.354320     -1.872683
  H      -7.115643     -0.284477     -1.495574
  H      -8.534074     -0.536689      0.554508
  H      -9.150871     -1.957457      2.504338
  H      -2.460553     -2.047708      5.370699
  H      -4.596942      0.001657      2.238884
  H      -9.276165      9.781101     -0.165337
  H      -7.864894     10.035630     -1.201474
  H      -9.246591      9.054597     -1.800389
  H      -7.425945     10.252338      1.219981
  H      -5.871776     10.296219      3.168623
  H      -5.075120      3.497766      3.610762
  H      -6.469041      6.100007      0.583412
  H     -10.769258      3.724849     -1.148169
  H      -9.541085      4.883631     -0.538144
  H     -11.088189      4.733737      0.301593
  H      -9.204773      5.588902      1.640324
  H      -8.119289      6.097309      3.830772
  H      -6.492089      1.409367      7.250891
  H      -8.909772      1.374673      2.493521
  N      -3.175122      1.937712      3.136074
  N      -3.430941      2.595251      1.933738
  H      -4.106656      2.018355      1.324535
  H      -2.550808      2.700003      1.406154
  H      -3.923424      3.645046      1.985531
91
Coordinates from ORCA-job orca E -6725.230077565154
  N      -1.906238      0.027697      5.216229
  Mo     -3.314651      1.512817      4.861757
  N      -4.483737      1.367675      6.598829
  C      -3.955946      1.762587      7.903210
  C      -2.436780      1.719562      7.835808
  N      -1.897215      2.245761      6.535461
  C      -0.546771      1.646140      6.274689
  C      -0.675337      0.156237      5.966652
  C      -1.780029      3.737444      6.492766
  C      -3.109034      4.406391      6.189080
  N      -3.797260      3.625653      5.169598
  H       0.193267     -0.165454      5.370464
  H      -0.701791     -0.466459      6.874735
  H      -0.140230      2.163163      5.396252
  H       0.125120      1.832412      7.127757
  H      -3.747620      4.468560      7.084793
  H      -2.936547      5.437630      5.845747
  H      -1.345194      4.104578      7.436214
  H      -1.076834      3.966989      5.680947
  H      -4.291100      1.074137      8.697605
  H      -4.312545      2.768220      8.178505
  H      -2.113846      0.674376      7.911567
  H      -1.981629      2.275249      8.670771
  C      -6.949153      0.738418     -1.113163
  C      -6.105491      0.711553      0.124366
  O      -5.076001      1.407421      0.178582
  C      -6.512998     -0.151176      1.258001
  C      -7.794694     -0.732384      1.326014
  C      -8.154009     -1.523352      2.410159
  C      -7.223015     -1.764635      3.417136
  F      -7.593823     -2.526670      4.450118
  C      -5.926249     -1.218661      3.378079
  C      -4.885292     -1.582546      4.373058
  O      -4.851751     -2.660650      4.952764
  N      -3.859008     -0.629392      4.539910
  C      -2.700044     -1.016373      5.077906
  C      -5.603869     -0.403739      2.291547
  C      -8.638350      9.299930     -0.926324
  C      -8.018865      8.039918     -0.374024
  O      -8.292140      6.937385     -0.845052
  C      -7.064688      8.154374      0.772834
  C      -6.887326      9.344749      1.498191
  C      -6.027886      9.381606      2.591974
  C      -5.351451      8.224135      2.966642
  F      -4.517421      8.304767      4.020865
  C      -5.489312      7.016835      2.260039
  C      -4.854070      5.730144      2.646896
  O      -4.601639      4.894112      1.714269
  N      -4.609995      5.502554      3.952182
  C      -4.501065      4.203250      4.225057
  C      -6.344379      7.017891      1.153090
  C     -10.325208      4.162885     -0.246755
  C      -9.754425      3.067325      0.613781
  O      -9.790274      1.888993      0.256154
  C      -9.123587      3.435833      1.919184
  C      -8.905024      4.770534      2.299252
  C      -8.290575      5.067828      3.513011
  C      -7.877622      4.019939      4.326958
  F      -7.299338      4.322762      5.514616
  C      -8.064432      2.674716      3.982242
  C      -7.591123      1.545943      4.857551
  O      -8.331659      0.615897      5.164526
  N      -6.243748      1.623485      5.171194
  C      -5.808141      1.440623      6.387495
  C      -8.719958      2.406926      2.781216
  H      -7.944222      1.149829     -0.876088
  H      -6.467261      1.359959     -1.874484
  H      -7.111121     -0.278814     -1.499001
  H      -8.532038     -0.531549      0.549543
  H      -9.151514     -1.953178      2.497830
  H      -2.464932     -2.049654      5.370816
  H      -4.596386      0.003896      2.238290
  H      -9.276999      9.778882     -0.167568
  H      -7.864740     10.031659     -1.202794
  H      -9.246596      9.050981     -1.801967
  H      -7.425529     10.250292      1.217771
  H      -5.870249     10.295139      3.165543
  H      -5.078568      3.496128      3.615131
  H      -6.471599      6.096796      0.584681
  H     -10.770251      3.723319     -1.145420
  H      -9.542904      4.882864     -0.535161
  H     -11.089732      4.731348      0.304796
  H      -9.205999      5.587296      1.643391
  H      -8.121342      6.095442      3.834457
  H      -6.491148      1.410275      7.253012
  H      -8.910048      1.372972      2.495539
  N      -3.172985      1.938809      3.137771
  N      -3.429495      2.597673      1.936538
  H      -4.103668      2.020435      1.326291
  H      -2.549291      2.704492      1.409517
  H      -3.925934      3.648592      1.987696
91
Coordinates from ORCA-job orca E -6725.230080748368
  N      -1.911956      0.020072      5.223291
  Mo     -3.313342      1.510384      4.865313
  N      -4.482348      1.366646      6.602309
  C      -3.954781      1.776647      7.902406
  C      -2.435641      1.733380      7.836729
  N      -1.893848      2.246004      6.531332
  C      -0.546357      1.636920      6.275469
  C      -0.683215      0.145637      5.977783
  C      -1.768670      3.736684      6.476395
  C      -3.097225      4.410512      6.181064
  N      -3.800116      3.625442      5.174594
  H       0.185855     -0.186470      5.388024
  H      -0.717883     -0.469721      6.890587
  H      -0.136237      2.145347      5.393648
  H       0.125808      1.825546      7.127767
  H      -3.726156      4.481995      7.082844
  H      -2.922936      5.438319      5.828566
  H      -1.322722      4.108149      7.412954
  H      -1.072002      3.955954      5.656104
  H      -4.290234      1.097559      8.704718
  H      -4.311996      2.785259      8.165413
  H      -2.112713      0.689098      7.923783
  H      -1.981317      2.297797      8.666253
  C      -6.936741      0.755526     -1.120845
  C      -6.095795      0.723956      0.118615
  O      -5.064322      1.416298      0.176748
  C      -6.508313     -0.140337      1.249460
  C      -7.790762     -0.720386      1.312098
  C      -8.154310     -1.513315      2.393441
  C      -7.226885     -1.757529      3.402950
  F      -7.601705     -2.521852      4.432808
  C      -5.929513     -1.212541      3.369375
  C      -4.892393     -1.579953      4.366918
  O      -4.862158     -2.659522      4.944031
  N      -3.864578     -0.629115      4.538974
  C      -2.708705     -1.021013      5.080641
  C      -5.602855     -0.395740      2.285529
  C      -8.639533      9.291507     -0.929938
  C      -8.023038      8.031515     -0.374323
  O      -8.299230      6.928330     -0.842124
  C      -7.066773      8.146840      0.770697
  C      -6.885338      9.338807      1.492286
  C      -6.024374      9.376820      2.584886
  C      -5.350512      8.218765      2.962051
  F      -4.514692      8.299843      4.014766
  C      -5.492639      7.009719      2.259202
  C      -4.861597      5.722927      2.651246
  O      -4.608529      4.884011      1.719272
  N      -4.619476      5.498170      3.955630
  C      -4.509690      4.198896      4.232989
  C      -6.348975      7.009471      1.153285
  C     -10.325655      4.158918     -0.238079
  C      -9.755366      3.062863      0.622043
  O      -9.787135      1.885231      0.261750
  C      -9.126392      3.430431      1.928664
  C      -8.908837      4.764872      2.310219
  C      -8.295631      5.061222      3.524830
  C      -7.882971      4.012686      4.338115
  F      -7.305488      4.314515      5.526477
  C      -8.068809      2.667739      3.991937
  C      -7.594185      1.538093      4.865718
  O      -8.334297      0.607976      5.173255
  N      -6.246470      1.615905      5.177150
  C      -5.807448      1.438763      6.392744
  C      -8.723136      2.400825      2.790096
  H      -7.932337      1.166172     -0.884980
  H      -6.452884      1.378919     -1.879372
  H      -7.097792     -0.260603     -1.510019
  H      -8.525506     -0.517210      0.533837
  H      -9.152431     -1.942583      2.476813
  H      -2.478250     -2.055696      5.372142
  H      -4.594683      0.010709      2.235988
  H      -9.277793      9.773143     -0.172524
  H      -7.864483     10.021279     -1.207467
  H      -9.247811      9.041799     -1.805337
  H      -7.421714     10.244829      1.209920
  H      -5.863685     10.291655      3.155515
  H      -5.091655      3.489882      3.629313
  H      -6.479776      6.087039      0.587940
  H     -10.767902      3.720189     -1.138531
  H      -9.543824      4.880673     -0.523392
  H     -11.092399      4.725353      0.312503
  H      -9.209462      5.582030      1.654703
  H      -8.126895      6.088568      3.847447
  H      -6.488166      1.412483      7.260261
  H      -8.912122      1.367110      2.502807
  N      -3.166544      1.942249      3.143107
  N      -3.425824      2.605498      1.945824
  H      -4.095754      2.027645      1.332822
  H      -2.545760      2.718376      1.419943
  H      -3.934865      3.661596      1.994903
91
Coordinates from ORCA-job orca E -6725.230092252572
  N      -1.921431      0.005844      5.236661
  Mo     -3.309772      1.505536      4.871500
  N      -4.479785      1.362736      6.607722
  C      -3.953634      1.800578      7.899906
  C      -2.434466      1.758182      7.838351
  N      -1.888140      2.246041      6.524289
  C      -0.545845      1.620010      6.278533
  C      -0.697569      0.126321      5.999996
  C      -1.748995      3.734545      6.447040
  C      -3.076973      4.416970      6.167498
  N      -3.806189      3.624492      5.184994
  H       0.172731     -0.224948      5.423319
  H      -0.748249     -0.474984      6.921385
  H      -0.128768      2.112455      5.390856
  H       0.126246      1.813224      7.129788
  H      -3.687988      4.504072      7.080046
  H      -2.900425      5.438702      5.799040
  H      -1.282667      4.113649      7.370556
  H      -1.065000      3.935237      5.611387
  H      -4.289593      1.138638      8.716261
  H      -4.312894      2.813973      8.140121
  H      -2.110707      0.716186      7.946378
  H      -1.982622      2.338946      8.657864
  C      -6.917603      0.794809     -1.131437
  C      -6.079543      0.751449      0.109985
  O      -5.044435      1.437071      0.175394
  C      -6.499764     -0.118235      1.234308
  C      -7.783135     -0.697027      1.286978
  C      -8.153240     -1.495481      2.362110
  C      -7.231680     -1.745790      3.375393
  F      -7.612901     -2.515791      4.398731
  C      -5.933680     -1.201589      3.352059
  C      -4.903307     -1.575602      4.353844
  O      -4.878640     -2.658118      4.925568
  N      -3.872988     -0.628792      4.535857
  C      -2.723506     -1.029618      5.085732
  C      -5.600257     -0.379859      2.274000
  C      -8.641380      9.268989     -0.939104
  C      -8.028376      8.010254     -0.376958
  O      -8.307032      6.905434     -0.839405
  C      -7.069054      8.128979      0.765175
  C      -6.881827      9.324471      1.479102
  C      -6.018301      9.366496      2.569672
  C      -5.347855      8.208502      2.952386
  F      -4.508652      8.292001      4.002117
  C      -5.496388      6.995641      2.257338
  C      -4.871207      5.710130      2.659980
  O      -4.616689      4.865413      1.729205
  N      -4.636547      5.489772      3.962918
  C      -4.525537      4.190250      4.248439
  C      -6.354705      6.991072      1.153104
  C     -10.332112      4.154372     -0.219260
  C      -9.759900      3.057061      0.637830
  O      -9.787974      1.880559      0.273667
  C      -9.132166      3.422188      1.945849
  C      -8.915293      4.755942      2.330216
  C      -8.302883      5.049871      3.545761
  C      -7.890747      3.999689      4.357268
  F      -7.313647      4.299175      5.546560
  C      -8.075862      2.655449      4.008323
  C      -7.599503      1.523732      4.879139
  O      -8.339035      0.593137      5.186189
  N      -6.251182      1.601181      5.186668
  C      -5.806072      1.433596      6.400839
  C      -8.729161      2.390831      2.805423
  H      -7.913836      1.203181     -0.894941
  H      -6.431720      1.423870     -1.883936
  H      -7.077249     -0.218252     -1.529233
  H      -8.513678     -0.489155      0.506151
  H      -9.152093     -1.924540      2.437477
  H      -2.502302     -2.066760      5.375352
  H      -4.591255      0.025408      2.231305
  H      -9.281151      9.753656     -0.184844
  H      -7.865080      9.997148     -1.217208
  H      -9.247927      9.016778     -1.814977
  H      -7.415838     10.230498      1.192296
  H      -5.853123     10.284343      3.134130
  H      -5.114836      3.477951      3.655489
  H      -6.490714      6.065756      0.593819
  H     -10.773341      3.717424     -1.121078
  H      -9.551461      4.878349     -0.502316
  H     -11.099992      4.718167      0.332459
  H      -9.215718      5.574054      1.675818
  H      -8.134137      6.076448      3.870822
  H      -6.482800      1.414564      7.271781
  H      -8.917259      1.357791      2.515162
  N      -3.152209      1.950162      3.153422
  N      -3.416264      2.622453      1.964214
  H      -4.078287      2.044133      1.345909
  H      -2.536355      2.746459      1.440820
  H      -3.950471      3.690497      2.008757
91
Coordinates from ORCA-job orca E -6725.230095846776
  N      -1.931416     -0.008827      5.250152
  Mo     -3.305718      1.500637      4.877662
  N      -4.476854      1.359214      6.613083
  C      -3.952210      1.824917      7.896775
  C      -2.432993      1.783097      7.839413
  N      -1.882218      2.245642      6.517027
  C      -0.545349      1.602346      6.281744
  C      -0.712579      0.106451      6.022548
  C      -1.729088      3.731483      6.417203
  C      -3.056274      4.422875      6.153177
  N      -3.811505      3.623392      5.195276
  H       0.158478     -0.264358      5.459425
  H      -0.779453     -0.480132      6.952365
  H      -0.121196      2.078329      5.388390
  H       0.126694      1.800094      7.131922
  H      -3.649102      4.525799      7.075907
  H      -2.877651      5.438240      5.768669
  H      -1.242540      4.117875      7.327204
  H      -1.058108      3.913333      5.566734
  H      -4.288952      1.180700      8.726913
  H      -4.313270      2.842723      8.113833
  H      -2.108654      0.743758      7.968599
  H      -1.983456      2.380080      8.648452
  C      -6.898183      0.834544     -1.141546
  C      -6.062969      0.779143      0.101663
  O      -5.024019      1.457588      0.174147
  C      -6.491134     -0.095594      1.219505
  C      -7.775575     -0.672623      1.262328
  C      -8.152465     -1.476285      2.331305
  C      -7.236870     -1.732855      3.348327
  F      -7.624686     -2.508194      4.365234
  C      -5.938127     -1.189918      3.335124
  C      -4.914755     -1.570675      4.341216
  O      -4.896056     -2.655952      4.907797
  N      -3.881689     -0.628257      4.533021
  C      -2.738987     -1.038370      5.091511
  C      -5.597678     -0.363610      2.262770
  C      -8.644695      9.245190     -0.947786
  C      -8.034580      7.987908     -0.379422
  O      -8.314866      6.881494     -0.837047
  C      -7.072579      8.110142      0.760105
  C      -6.880501      9.308929      1.466869
  C      -6.014711      9.355039      2.555618
  C      -5.347042      8.197410      2.943592
  F      -4.504780      8.283422      3.990567
  C      -5.501037      6.980986      2.255858
  C      -4.880958      5.697104      2.668713
  O      -4.624332      4.847030      1.738940
  N      -4.653789      5.480946      3.970177
  C      -4.540849      4.181335      4.263777
  C      -6.361064      6.972029      1.153121
  C     -10.337084      4.150735     -0.201237
  C      -9.763221      3.052146      0.652964
  O      -9.787689      1.876782      0.284988
  C      -9.136865      3.414809      1.962445
  C      -8.920566      4.747845      2.349593
  C      -8.309089      5.039318      3.566135
  C      -7.897705      3.987490      4.375980
  F      -7.321147      4.284596      5.566304
  C      -8.082201      2.643982      4.024294
  C      -7.604331      1.510219      4.892283
  O      -8.343420      0.579247      5.198820
  N      -6.255406      1.587138      5.196050
  C      -5.804313      1.429130      6.408739
  C      -8.734356      2.381702      2.820252
  H      -7.894858      1.241105     -0.904356
  H      -6.410072      1.468966     -1.888050
  H      -7.056876     -0.175335     -1.547859
  H      -8.501848     -0.459893      0.478972
  H      -9.152153     -1.904738      2.398745
  H      -2.527582     -2.077897      5.379592
  H      -4.587746      0.040100      2.226870
  H      -9.286460      9.732229     -0.196694
  H      -7.867506      9.972299     -1.225987
  H      -9.249126      8.990424     -1.824375
  H      -7.412641     10.214713      1.175847
  H      -5.845761     10.275721      3.114293
  H      -5.137038      3.465680      3.681491
  H      -6.501550      6.044029      0.599512
  H     -10.777194      3.715579     -1.104471
  H      -9.557496      4.876833     -0.481931
  H     -11.106134      4.711976      0.351465
  H      -9.220602      5.566919      1.696240
  H      -8.140275      6.065100      3.893589
  H      -6.477111      1.417611      7.282971
  H      -8.921661      1.349380      2.527022
  N      -3.137153      1.957636      3.163799
  N      -3.405801      2.638449      1.982452
  H      -4.059974      2.059711      1.358970
  H      -2.526041      2.773161      1.461693
  H      -3.965156      3.717929      2.021737
91
Coordinates from ORCA-job orca E -6725.230097714181
  N      -1.925161     -0.000753      5.243714
  Mo     -3.307584      1.503047      4.873707
  N      -4.479197      1.359108      6.608946
  C      -3.954774      1.810927      7.897392
  C      -2.435526      1.770495      7.838730
  N      -1.886416      2.246542      6.520867
  C      -0.546202      1.612834      6.281261
  C      -0.704464      0.117942      6.012483
  C      -1.741112      3.733826      6.432797
  C      -3.069447      4.419564      6.162093
  N      -3.810841      3.623694      5.190968
  H       0.166897     -0.242719      5.443291
  H      -0.763737     -0.475908      6.938188
  H      -0.125403      2.097283      5.390909
  H       0.125190      1.808958      7.132359
  H      -3.671535      4.511791      7.079972
  H      -2.893513      5.438949      5.787101
  H      -1.264190      4.116527      7.349397
  H      -1.064515      3.925613      5.589017
  H      -4.290699      1.157105      8.720309
  H      -4.316222      2.826054      8.126383
  H      -2.110619      0.730031      7.956945
  H      -1.985868      2.359488      8.653542
  C      -6.909696      0.818215     -1.134149
  C      -6.071096      0.766432      0.106703
  O      -5.034048      1.448281      0.175915
  C      -6.494616     -0.107231      1.227135
  C      -7.778455     -0.685245      1.275166
  C      -8.151114     -1.487302      2.346800
  C      -7.231865     -1.741228      3.361214
  F      -7.615858     -2.514476      4.381216
  C      -5.933661     -1.197321      3.342813
  C      -4.906620     -1.574218      4.346820
  O      -4.883453     -2.658679      4.914806
  N      -3.875427     -0.628961      4.533282
  C      -2.729704     -1.033497      5.089076
  C      -5.597433     -0.372693      2.267829
  C      -8.643730      9.253603     -0.942625
  C      -8.032441      7.996181     -0.375810
  O      -8.312001      6.890063     -0.834648
  C      -7.069407      8.117983      0.762844
  C      -6.877646      9.316087      1.470868
  C      -6.010594      9.361818      2.558636
  C      -5.341395      8.204327      2.944499
  F      -4.497817      8.289856      3.990471
  C      -5.494997      6.988637      2.255434
  C      -4.872231      5.704512      2.664420
  O      -4.617396      4.856385      1.734137
  N      -4.644486      5.485655      3.966753
  C      -4.533728      4.185600      4.256384
  C      -6.356191      6.980158      1.153638
  C     -10.338999      4.154865     -0.208369
  C      -9.765427      3.056127      0.645761
  O      -9.793589      1.880305      0.279456
  C      -9.136367      3.419045      1.953850
  C      -8.918760      4.752145      2.340024
  C      -8.305347      5.043809      3.555564
  C      -7.893510      3.992223      4.365443
  F      -7.315539      4.289638      5.554898
  C      -8.079357      2.648604      4.014656
  C      -7.602590      1.515164      4.883550
  O      -8.342322      0.584458      5.189610
  N      -6.254273      1.592040      5.189679
  C      -5.806006      1.429312      6.403034
  C      -8.733165      2.386113      2.811581
  H      -7.905866      1.224696     -0.894590
  H      -6.424601      1.451424     -1.883655
  H      -7.068693     -0.192841     -1.537430
  H      -8.507350     -0.474746      0.493609
  H      -9.150279     -1.916256      2.418553
  H      -2.513494     -2.071516      5.379139
  H      -4.588202      0.032357      2.227968
  H      -9.284781      9.739814     -0.190404
  H      -7.867213      9.981254     -1.221292
  H      -9.249041      8.999178     -1.818711
  H      -7.410945     10.221718      1.181470
  H      -5.841845     10.282080      3.118066
  H      -5.126077      3.472066      3.667831
  H      -6.495691      6.052706      0.598776
  H     -10.782667      3.719730     -1.109860
  H      -9.557989      4.878319     -0.492010
  H     -11.104766      4.719465      0.345419
  H      -9.219117      5.571182      1.686739
  H      -8.135413      6.069667      3.882255
  H      -6.480745      1.414075      7.275661
  H      -8.921858      1.353820      2.519086
  N      -3.144236      1.955359      3.158284
  N      -3.410422      2.632622      1.973546
  H      -4.068698      2.054528      1.352722
  H      -2.530378      2.761479      1.451701
  H      -3.957931      3.709036      2.015494
91
Coordinates from ORCA-job orca E -6725.230098319136
  N      -1.926877     -0.003502      5.245644
  Mo     -3.306554      1.502161      4.874710
  N      -4.478362      1.360355      6.609790
  C      -3.953622      1.814493      7.897328
  C      -2.434403      1.772557      7.838971
  N      -1.884654      2.245385      6.520198
  C      -0.545424      1.608952      6.281579
  C      -0.706310      0.113919      6.014823
  C      -1.736852      3.732307      6.429470
  C      -3.064332      4.420020      6.159220
  N      -3.808685      3.623433      5.190852
  H       0.164640     -0.249237      5.446576
  H      -0.767062     -0.478454      6.941393
  H      -0.123646      2.091438      5.390622
  H       0.126132      1.805097      7.132531
  H      -3.664742      4.515892      7.077835
  H      -2.886777      5.438176      5.781637
  H      -1.258177      4.115721      7.344866
  H      -1.060805      3.921496      5.584649
  H      -4.290276      1.162779      8.721615
  H      -4.314193      2.830442      8.124014
  H      -2.110467      0.732033      7.959511
  H      -1.984290      2.362858      8.652568
  C      -6.905729      0.822261     -1.136131
  C      -6.068466      0.769403      0.105602
  O      -5.030137      1.449308      0.175252
  C      -6.493670     -0.103992      1.225555
  C      -7.778027     -0.680950      1.272444
  C      -8.152245     -1.482893      2.343624
  C      -7.234097     -1.737755      3.358807
  F      -7.619446     -2.511074      4.378193
  C      -5.935437     -1.194848      3.341594
  C      -4.909473     -1.573093      4.346204
  O      -4.888545     -2.657283      4.914807
  N      -3.877422     -0.628982      4.533986
  C      -2.732331     -1.035243      5.090456
  C      -5.597574     -0.370411      2.266985
  C      -8.643760      9.251749     -0.944539
  C      -8.031490      7.994514     -0.378355
  O      -8.309644      6.888470     -0.838199
  C      -7.070953      8.116281      0.762398
  C      -6.882161      9.313932      1.472040
  C      -6.017260      9.359612      2.561488
  C      -5.347187      8.202619      2.947387
  F      -4.505854      8.288380      3.995163
  C      -5.497840      6.987409      2.256822
  C      -4.873860      5.703686      2.665359
  O      -4.618366      4.856102      1.734808
  N      -4.645122      5.484728      3.967462
  C      -4.533009      4.184894      4.256981
  C      -6.357086      6.978972      1.153452
  C     -10.340474      4.152124     -0.207217
  C      -9.765149      3.054456      0.647126
  O      -9.792527      1.878380      0.281544
  C      -9.136662      3.418461      1.955181
  C      -8.919442      4.751847      2.340593
  C      -8.306286      5.044426      3.556085
  C      -7.894278      3.993418      4.366620
  F      -7.316416      4.291637      5.555926
  C      -8.079816      2.649543      4.016620
  C      -7.602869      1.516645      4.886108
  O      -8.342442      0.585934      5.192495
  N      -6.254243      1.593095      5.191110
  C      -5.805271      1.431183      6.404261
  C      -8.733389      2.386178      2.813633
  H      -7.901779      1.229706     -0.897742
  H      -6.418947      1.455104     -1.884859
  H      -7.065486     -0.188496     -1.539867
  H      -8.506166     -0.469390      0.490463
  H      -9.151808     -1.911085      2.414425
  H      -2.517426     -2.073643      5.380099
  H      -4.587903      0.033619      2.228076
  H      -9.286209      9.736539     -0.192592
  H      -7.867754      9.980554     -1.221633
  H      -9.247809      8.997468     -1.821537
  H      -7.416050     10.219187      1.182565
  H      -5.850815     10.279495      3.122241
  H      -5.126109      3.471004      3.669529
  H      -6.494285      6.051872      0.597362
  H     -10.783822      3.716046     -1.108410
  H      -9.560748      4.876718     -0.491388
  H     -11.106958      4.715601      0.346749
  H      -9.219968      5.570485      1.686895
  H      -8.136794      6.070576      3.882126
  H      -6.479515      1.417264      7.277298
  H      -8.921825      1.353648      2.521836
  N      -3.141589      1.953973      3.159258
  N      -3.407322      2.631096      1.974414
  H      -4.064391      2.052469      1.352623
  H      -2.526993      2.761213      1.453325
  H      -3.955936      3.705936      2.015714
91
Coordinates from ORCA-job orca E -6725.230099610779
  N      -1.927852     -0.004788      5.247360
  Mo     -3.306510      1.501492      4.875122
  N      -4.478358      1.359033      6.610148
  C      -3.954100      1.817800      7.896365
  C      -2.434845      1.776906      7.838729
  N      -1.884523      2.246192      6.518734
  C      -0.545771      1.607890      6.281833
  C      -0.708186      0.112489      6.018045
  C      -1.735236      3.732725      6.424606
  C      -3.062982      4.421119      6.157127
  N      -3.811063      3.623169      5.192550
  H       0.163102     -0.253247      5.451991
  H      -0.771279     -0.477629      6.945894
  H      -0.123166      2.088082      5.390014
  H       0.125631      1.805153      7.132635
  H      -3.660499      4.518669      7.077421
  H      -2.885914      5.438487      5.777266
  H      -1.253366      4.117378      7.337805
  H      -1.061588      3.919332      5.577283
  H      -4.290484      1.168648      8.722790
  H      -4.315590      2.834186      8.119449
  H      -2.110232      0.736988      7.962466
  H      -1.985512      2.369909      8.650791
  C      -6.904006      0.825701     -1.137207
  C      -6.067094      0.772279      0.104825
  O      -5.028643      1.451799      0.175310
  C      -6.492754     -0.102122      1.223950
  C      -7.776901     -0.679596      1.269600
  C      -8.151419     -1.482514      2.339962
  C      -7.233763     -1.737773      3.355461
  F      -7.619448     -2.512132      4.373971
  C      -5.935277     -1.194414      3.339467
  C      -4.909877     -1.573248      4.344430
  O      -4.889231     -2.657805      4.912311
  N      -3.877882     -0.629243      4.533317
  C      -2.733756     -1.036046      5.091438
  C      -5.597137     -0.369000      2.265681
  C      -8.643965      9.250684     -0.944100
  C      -8.032528      7.993266     -0.377437
  O      -8.312902      6.887071     -0.835579
  C      -7.070446      8.114927      0.762021
  C      -6.878809      9.313160      1.469823
  C      -6.012535      9.359011      2.558213
  C      -5.343960      8.201452      2.944850
  F      -4.501078      8.286857      3.991391
  C      -5.497601      6.985557      2.256131
  C      -4.875689      5.701554      2.666567
  O      -4.619796      4.853052      1.736173
  N      -4.648320      5.483367      3.968437
  C      -4.536619      4.183370      4.259315
  C      -6.358078      6.976861      1.153774
  C     -10.340289      4.152150     -0.205008
  C      -9.764493      3.054058      0.648421
  O      -9.790935      1.878324      0.281709
  C      -9.136865      3.417240      1.957143
  C      -8.920230      4.750395      2.343719
  C      -8.307765      5.042109      3.559744
  C      -7.895931      3.990546      4.369664
  F      -7.318687      4.287967      5.559487
  C      -8.080883      2.646909      4.018501
  C      -7.603715      1.513340      4.887112
  O      -8.343208      0.582363      5.192864
  N      -6.255168      1.589888      5.192013
  C      -5.805423      1.429400      6.404967
  C      -8.733760      2.384342      2.814978
  H      -7.900546      1.231919     -0.898838
  H      -6.417671      1.459477     -1.885421
  H      -7.062479     -0.184972     -1.541681
  H      -8.504712     -0.467861      0.487385
  H      -9.150836     -1.911200      2.409814
  H      -2.519953     -2.074555      5.381444
  H      -4.587576      0.035385      2.227389
  H      -9.285892      9.736082     -0.192073
  H      -7.867682      9.978953     -1.221760
  H      -9.248539      8.996397     -1.820734
  H      -7.411622     10.218856      1.179736
  H      -5.843928     10.279421      3.117445
  H      -5.130928      3.469087      3.673538
  H      -6.497652      6.049256      0.599199
  H     -10.783223      3.716743     -1.106725
  H      -9.560721      4.877301     -0.488268
  H     -11.107076      4.715012      0.349159
  H      -9.220606      5.569413      1.690437
  H      -8.138583      6.067991      3.886808
  H      -6.479117      1.416517      7.278471
  H      -8.921697      1.352042      2.522005
  N      -3.140476      1.955609      3.160428
  N      -3.407547      2.634104      1.976967
  H      -4.063598      2.055323      1.354763
  H      -2.527456      2.765873      1.455937
  H      -3.960293      3.711142      2.017847
91
Coordinates from ORCA-job orca E -6725.230100073386
  N      -1.928697     -0.006235      5.248914
  Mo     -3.305936      1.501007      4.875483
  N      -4.478225      1.358952      6.610263
  C      -3.954184      1.819891      7.895871
  C      -2.434915      1.778921      7.838822
  N      -1.883923      2.245976      6.518233
  C      -0.545675      1.606067      6.282561
  C      -0.709561      0.110518      6.020531
  C      -1.733209      3.732236      6.422157
  C      -3.060697      4.421569      6.155816
  N      -3.810912      3.623124      5.193223
  H       0.161787     -0.257020      5.455744
  H      -0.774206     -0.478292      6.949106
  H      -0.122264      2.084755      5.390312
  H       0.125564      1.803728      7.133393
  H      -3.656779      4.520567      7.076881
  H      -2.883303      5.438361      5.774598
  H      -1.249646      4.117457      7.334225
  H      -1.060583      3.917088      5.573635
  H      -4.290774      1.172152      8.723325
  H      -4.315764      2.836636      8.117125
  H      -2.110349      0.739213      7.964402
  H      -1.985861      2.373268      8.650053
  C      -6.903022      0.830103     -1.137262
  C      -6.065801      0.774760      0.104477
  O      -5.027503      1.454373      0.175908
  C      -6.492014     -0.100311      1.222900
  C      -7.776158     -0.677855      1.267551
  C      -8.151193     -1.481417      2.337251
  C      -7.234107     -1.737099      3.353151
  F      -7.620336     -2.512035      4.371024
  C      -5.935673     -1.193571      3.338240
  C      -4.911018     -1.572757      4.343826
  O      -4.890820     -2.657537      4.911275
  N      -3.878624     -0.629254      4.533282
  C      -2.735258     -1.036853      5.092610
  C      -5.596952     -0.367681      2.264996
  C      -8.645070      9.248349     -0.943824
  C      -8.033485      7.991207     -0.376720
  O      -8.313450      6.884851     -0.834727
  C      -7.070900      8.113409      0.762258
  C      -6.879042      9.311950      1.469451
  C      -6.012263      9.358400      2.557429
  C      -5.343432      8.201069      2.944256
  F      -4.499951      8.286912      3.990283
  C      -5.497336      6.984867      2.256148
  C      -4.875098      5.701205      2.667041
  O      -4.619729      4.852286      1.736566
  N      -4.648521      5.482982      3.968823
  C      -4.536914      4.182928      4.260193
  C      -6.358278      6.975540      1.154179
  C     -10.341579      4.151008     -0.204187
  C      -9.766339      3.052867      0.649538
  O      -9.792521      1.877156      0.282744
  C      -9.137945      3.416219      1.957855
  C      -8.920687      4.749413      2.343922
  C      -8.307614      5.041276      3.559598
  C      -7.895868      3.989811      4.369698
  F      -7.317964      4.287404      5.559179
  C      -8.081386      2.646135      4.019028
  C      -7.604259      1.512643      4.887824
  O      -8.343843      0.581789      5.193705
  N      -6.255632      1.588920      5.192322
  C      -5.805375      1.429455      6.405184
  C      -8.734784      2.383431      2.815804
  H      -7.899657      1.235564     -0.898019
  H      -6.417050      1.465268     -1.884535
  H      -7.061191     -0.179968     -1.543374
  H      -8.503577     -0.465801      0.485062
  H      -9.150598     -1.910262      2.406286
  H      -2.522642     -2.075479      5.383052
  H      -4.587412      0.036819      2.227411
  H      -9.287662      9.733407     -0.192137
  H      -7.869016      9.977007     -1.221066
  H      -9.249087      8.993751     -1.820752
  H      -7.412085     10.217457      1.179195
  H      -5.843476     10.279099      3.116126
  H      -5.131762      3.468564      3.675031
  H      -6.498007      6.047695      0.600032
  H     -10.784959      3.715585     -1.105676
  H      -9.561481      4.875452     -0.487857
  H     -11.107818      4.714720      0.349861
  H      -9.221093      5.568296      1.690483
  H      -8.137887      6.067160      3.886322
  H      -6.478759      1.417421      7.278946
  H      -8.923212      1.351147      2.523142
  N      -3.138680      1.956033      3.161209
  N      -3.405717      2.635340      1.978375
  H      -4.061560      2.056869      1.355789
  H      -2.525591      2.767525      1.457524
  H      -3.959761      3.713445      2.019200
91
Coordinates from ORCA-job orca E -6725.230101155801
  N      -1.927927     -0.005603      5.248639
  Mo     -3.305975      1.500986      4.874707
  N      -4.478523      1.358512      6.609333
  C      -3.954675      1.818682      7.895310
  C      -2.435377      1.778271      7.838426
  N      -1.884281      2.246154      6.518183
  C      -0.545690      1.607025      6.282607
  C      -0.708815      0.111554      6.020200
  C      -1.734131      3.732469      6.422750
  C      -3.061744      4.421291      6.156294
  N      -3.811147      3.622945      5.193000
  H       0.162627     -0.255397      5.455184
  H      -0.773099     -0.477601      6.948577
  H      -0.122421      2.086201      5.390555
  H       0.125294      1.804829      7.133606
  H      -3.658230      4.519582      7.077179
  H      -2.884758      5.438340      5.775581
  H      -1.250935      4.117516      7.335087
  H      -1.061411      3.917902      5.574433
  H      -4.291096      1.170179      8.722237
  H      -4.316586      2.835137      8.117389
  H      -2.110442      0.738624      7.963505
  H      -1.986669      2.372369      8.650033
  C      -6.904330      0.829074     -1.136202
  C      -6.066520      0.773554      0.105110
  O      -5.028305      1.453358      0.176141
  C      -6.492111     -0.101722      1.223602
  C      -7.776122     -0.679532      1.268674
  C      -8.150636     -1.483140      2.338519
  C      -7.233190     -1.738525      3.354171
  F      -7.619031     -2.513328      4.372286
  C      -5.934877     -1.194714      3.338875
  C      -4.909930     -1.573388      4.344414
  O      -4.889573     -2.657857      4.912449
  N      -3.877699     -0.629610      4.533258
  C      -2.734280     -1.036468      5.093188
  C      -5.596642     -0.368905      2.265413
  C      -8.643923      9.249274     -0.943729
  C      -8.031984      7.992193     -0.376860
  O      -8.311683      6.885856     -0.835071
  C      -7.069868      8.114403      0.762509
  C      -6.878388      9.312917      1.469851
  C      -6.011921      9.359452      2.558080
  C      -5.343055      8.202176      2.945020
  F      -4.499806      8.288033      3.991254
  C      -5.496619      6.986011      2.256804
  C      -4.873948      5.702414      2.667425
  O      -4.618466      4.853836      1.736857
  N      -4.647794      5.483569      3.969300
  C      -4.536452      4.183355      4.259792
  C      -6.357227      6.976590      1.154585
  C     -10.343714      4.151230     -0.204164
  C      -9.767934      3.053094      0.649198
  O      -9.793972      1.877435      0.282238
  C      -9.138810      3.416471      1.957156
  C      -8.921281      4.749673      2.343067
  C      -8.307566      5.041525      3.558430
  C      -7.895576      3.990052      4.368394
  F      -7.317064      4.287672      5.557565
  C      -8.081383      2.646370      4.017882
  C      -7.604294      1.512831      4.886624
  O      -8.343835      0.581775      5.192030
  N      -6.255713      1.588967      5.191233
  C      -5.805614      1.429077      6.404112
  C      -8.735276      2.383677      2.814927
  H      -7.901020      1.234041     -0.896378
  H      -6.418941      1.464755     -1.883424
  H      -7.062253     -0.180916     -1.542627
  H      -8.503854     -0.467700      0.486416
  H      -9.149932     -1.912179      2.407912
  H      -2.521581     -2.074775      5.384720
  H      -4.587253      0.035923      2.227459
  H      -9.287469      9.733350     -0.192211
  H      -7.868244      9.978701     -1.219948
  H      -9.247134      8.994755     -1.821237
  H      -7.411457     10.218370      1.179465
  H      -5.843424     10.280177      3.116817
  H      -5.131024      3.469416      3.673846
  H      -6.496570      6.048751      0.600269
  H     -10.788007      3.715839     -1.105215
  H      -9.563495      4.875246     -0.488630
  H     -11.109162      4.715479      0.350402
  H      -9.221943      5.568562      1.689748
  H      -8.137555      6.067396      3.885087
  H      -6.479099      1.416877      7.277788
  H      -8.923999      1.351415      2.522371
  N      -3.138897      1.955871      3.160489
  N      -3.405493      2.634840      1.977268
  H      -4.061691      2.056357      1.354916
  H      -2.525276      2.766367      1.456404
  H      -3.958396      3.712798      2.018171
91
Coordinates from ORCA-job orca E -6725.230102186581
  N      -1.928214     -0.006102      5.249411
  Mo     -3.305959      1.500607      4.874013
  N      -4.478605      1.358353      6.608664
  C      -3.954858      1.819802      7.894280
  C      -2.435542      1.779818      7.837769
  N      -1.883977      2.246362      6.517190
  C      -0.545585      1.606542      6.282560
  C      -0.709370      0.111003      6.021410
  C      -1.733086      3.732474      6.420521
  C      -3.060609      4.421638      6.155118
  N      -3.811299      3.622870      5.193110
  H       0.162039     -0.256969      5.457015
  H      -0.774405     -0.477350      6.950238
  H      -0.121908      2.084838      5.390225
  H       0.125179      1.804852      7.133610
  H      -3.656023      4.520775      7.076609
  H      -2.883758      5.438349      5.773457
  H      -1.248599      4.117891      7.332024
  H      -1.061283      3.916856      5.571243
  H      -4.291161      1.171882      8.721715
  H      -4.317093      2.836322      8.115517
  H      -2.110268      0.740443      7.964113
  H      -1.987264      2.374963      8.648848
  C      -6.903614      0.827541     -1.136572
  C      -6.066426      0.772802      0.105215
  O      -5.028439      1.452949      0.176429
  C      -6.492069     -0.102474      1.223680
  C      -7.775877     -0.680754      1.268331
  C      -8.150474     -1.484385      2.338128
  C      -7.233320     -1.739291      3.354154
  F      -7.619331     -2.514046      4.372230
  C      -5.935147     -1.195086      3.339262
  C      -4.910523     -1.573408      4.345314
  O      -4.890690     -2.657507      4.914071
  N      -3.877938     -0.629934      4.533661
  C      -2.735154     -1.036653      5.095082
  C      -5.596824     -0.369318      2.265797
  C      -8.644062      9.251163     -0.942010
  C      -8.031965      7.993904     -0.375679
  O      -8.312447      6.887657     -0.833614
  C      -7.069534      8.115769      0.763457
  C      -6.877389      9.314236      1.470707
  C      -6.010693      9.360480      2.558771
  C      -5.342257      8.202927      2.945603
  F      -4.498837      8.288335      3.991760
  C      -5.496414      6.986830      2.257430
  C      -4.873838      5.703057      2.667794
  O      -4.618546      4.854794      1.736824
  N      -4.647712      5.483767      3.969586
  C      -4.536611      4.183483      4.259968
  C      -6.357278      6.977665      1.155409
  C     -10.344329      4.150068     -0.204612
  C      -9.767531      3.052187      0.648384
  O      -9.792730      1.876601      0.281144
  C      -9.138964      3.415684      1.956572
  C      -8.921766      4.748916      2.342555
  C      -8.308327      5.040826      3.558060
  C      -7.896351      3.989398      4.368086
  F      -7.318109      4.287090      5.557366
  C      -8.081842      2.645694      4.017500
  C      -7.604532      1.512085      4.886024
  O      -8.343976      0.580896      5.191293
  N      -6.256013      1.588381      5.190729
  C      -5.805714      1.429006      6.403578
  C      -8.735442      2.382930      2.814407
  H      -7.900985      1.231232     -0.897451
  H      -6.418446      1.463807     -1.883433
  H      -7.060017     -0.182638     -1.543161
  H      -8.503455     -0.469250      0.485846
  H      -9.149636     -1.913779      2.407229
  H      -2.523523     -2.074623      5.388568
  H      -4.587582      0.035889      2.227986
  H      -9.288350      9.734151     -0.190401
  H      -7.868767      9.981339     -1.217252
  H      -9.246753      8.996976     -1.819976
  H      -7.410162     10.219887      1.180396
  H      -5.841784     10.281191      3.117404
  H      -5.131627      3.469837      3.674089
  H      -6.497158      6.049870      0.601168
  H     -10.789226      3.714575     -1.105308
  H      -9.564231      4.873966     -0.489779
  H     -11.109262      4.714551      0.350399
  H      -9.222414      5.567827      1.689257
  H      -8.138538      6.066707      3.884821
  H      -6.479017      1.417352      7.277400
  H      -8.923873      1.350656      2.521677
  N      -3.138617      1.955978      3.160126
  N      -3.405536      2.635210      1.977177
  H      -4.061710      2.056701      1.354876
  H      -2.525484      2.767063      1.456127
  H      -3.958760      3.713444      2.018783
91
Coordinates from ORCA-job orca E -6725.230102952173
  N      -1.928888     -0.007417      5.250826
  Mo     -3.305612      1.499905      4.873702
  N      -4.478336      1.357385      6.608387
  C      -3.954867      1.821971      7.893077
  C      -2.435518      1.782848      7.837182
  N      -1.883335      2.246586      6.515729
  C      -0.545421      1.605156      6.282608
  C      -0.710691      0.109392      6.023903
  C      -1.731100      3.732339      6.416450
  C      -3.058652      4.422243      6.153324
  N      -3.812324      3.622616      5.194237
  H       0.160797     -0.260728      5.461044
  H      -0.777491     -0.477233      6.953697
  H      -0.120965      2.081580      5.389634
  H       0.125150      1.804290      7.133611
  H      -3.651710      4.523029      7.076149
  H      -2.881987      5.438283      5.769813
  H      -1.244017      4.118612      7.326221
  H      -1.061158      3.914653      5.565243
  H      -4.290939      1.175685      8.721892
  H      -4.317754      2.838743      8.112001
  H      -2.109531      0.744043      7.966183
  H      -1.987999      2.380236      8.647033
  C      -6.902289      0.830038     -1.137273
  C      -6.065124      0.774233      0.104518
  O      -5.026872      1.453889      0.176110
  C      -6.491248     -0.101413      1.222521
  C      -7.775070     -0.679707      1.266370
  C      -8.150167     -1.483704      2.335717
  C      -7.233557     -1.738845      3.352167
  F      -7.620169     -2.513879      4.369795
  C      -5.935356     -1.194607      3.338105
  C      -4.911494     -1.573106      4.344846
  O      -4.892748     -2.656913      4.914196
  N      -3.878432     -0.630168      4.533535
  C      -2.736759     -1.037313      5.097092
  C      -5.596502     -0.368597      2.264989
  C      -8.643568      9.249908     -0.942599
  C      -8.031943      7.992714     -0.375610
  O      -8.312878      6.886338     -0.832942
  C      -7.069404      8.114803      0.763422
  C      -6.876720      9.313565      1.470007
  C      -6.010064      9.360028      2.558112
  C      -5.342218      8.202373      2.945602
  F      -4.498830      8.287814      3.991793
  C      -5.496902      6.985995      2.258070
  C      -4.874955      5.702298      2.669379
  O      -4.619136      4.853708      1.738432
  N      -4.649635      5.483168      3.970989
  C      -4.538484      4.182812      4.261780
  C      -6.357711      6.976564      1.156019
  C     -10.345022      4.150222     -0.203008
  C      -9.767623      3.052028      0.649186
  O      -9.792106      1.876711      0.281064
  C      -9.139361      3.414946      1.957688
  C      -8.922420      4.748029      2.344310
  C      -8.309226      5.039465      3.560047
  C      -7.897303      3.987709      4.369687
  F      -7.319372      4.284942      5.559260
  C      -8.082480      2.644151      4.018454
  C      -7.605007      1.510147      4.886403
  O      -8.344182      0.578461      5.190776
  N      -6.256479      1.586457      5.190925
  C      -5.805564      1.427869      6.403593
  C      -8.735782      2.381839      2.815077
  H      -7.899949      1.232852     -0.897964
  H      -6.417274      1.467358     -1.883335
  H      -7.057987     -0.179787     -1.545050
  H      -8.502295     -0.468025      0.483620
  H      -9.149336     -1.913188      2.404155
  H      -2.526907     -2.075077      5.392543
  H      -4.587267      0.036685      2.227668
  H      -9.289114      9.732297     -0.191658
  H      -7.868357      9.980583     -1.216674
  H      -9.245114      8.995638     -1.821330
  H      -7.409072     10.219294      1.179163
  H      -5.840798     10.280992      3.116214
  H      -5.134323      3.469138      3.676726
  H      -6.498099      6.048556      0.602275
  H     -10.790676      3.715080     -1.103499
  H      -9.564804      4.873828     -0.488661
  H     -11.109266      4.714937      0.352680
  H      -9.223091      5.567193      1.691338
  H      -8.139614      6.065191      3.887366
  H      -6.478449      1.416908      7.277753
  H      -8.923944      1.349676      2.521788
  N      -3.137180      1.957032      3.160529
  N      -3.404725      2.637068      1.978341
  H      -4.060221      2.058317      1.355852
  H      -2.524797      2.769829      1.457337
  H      -3.960426      3.716841      2.019380
91
Coordinates from ORCA-job orca E -6725.230103949979
  N      -1.929452     -0.008385      5.251312
  Mo     -3.305400      1.499481      4.873411
  N      -4.477840      1.357097      6.608384
  C      -3.954332      1.823215      7.892510
  C      -2.434985      1.784250      7.836791
  N      -1.882577      2.246382      6.514817
  C      -0.545095      1.603877      6.282269
  C      -0.711458      0.108020      6.024766
  C      -1.729473      3.731935      6.414171
  C      -3.056898      4.422472      6.152141
  N      -3.812263      3.622545      5.194601
  H       0.159907     -0.263257      5.462479
  H      -0.779042     -0.477813      6.955006
  H      -0.120225      2.079285      5.388947
  H       0.125531      1.803229      7.133177
  H      -3.648687      4.524515      7.075646
  H      -2.879993      5.438073      5.767558
  H      -1.241097      4.118599      7.323096
  H      -1.060329      3.913130      5.562087
  H      -4.290361      1.177846      8.722064
  H      -4.317298      2.840210      8.110241
  H      -2.108694      0.745740      7.967316
  H      -1.987731      2.382857      8.645894
  C      -6.901322      0.830996     -1.137846
  C      -6.064778      0.775155      0.104395
  O      -5.026057      1.454087      0.176012
  C      -6.491176     -0.100678      1.222093
  C      -7.774949     -0.679137      1.265310
  C      -8.150434     -1.483335      2.334354
  C      -7.234292     -1.738514      3.351222
  F      -7.621323     -2.513763      4.368485
  C      -5.936122     -1.194091      3.337797
  C      -4.912855     -1.572502      4.345116
  O      -4.894786     -2.656090      4.914930
  N      -3.879207     -0.630130      4.533685
  C      -2.738196     -1.037727      5.098295
  C      -5.596866     -0.367937      2.264915
  C      -8.642769      9.248929     -0.944130
  C      -8.031455      7.991828     -0.376598
  O      -8.311627      6.885426     -0.834313
  C      -7.069793      8.114092      0.763167
  C      -6.878341      9.312725      1.470334
  C      -6.012664      9.359163      2.559208
  C      -5.344527      8.201719      2.946853
  F      -4.502199      8.287340      3.993881
  C      -5.497897      6.985519      2.258711
  C      -4.875709      5.702030      2.670059
  O      -4.619702      4.853434      1.738998
  N      -4.650433      5.482885      3.971547
  C      -4.539068      4.182595      4.262642
  C      -6.357829      6.976121      1.155943
  C     -10.344460      4.150839     -0.202203
  C      -9.766982      3.052407      0.649674
  O      -9.790823      1.877282      0.280910
  C      -9.139049      3.414927      1.958442
  C      -8.922186      4.747914      2.345437
  C      -8.309155      5.039097      3.561322
  C      -7.897308      3.987139      4.370744
  F      -7.319536      4.284067      5.560487
  C      -8.082433      2.643675      4.019168
  C      -7.604849      1.509445      4.886735
  O      -8.344030      0.577870      5.191391
  N      -6.256273      1.585815      5.191165
  C      -5.805125      1.427572      6.403773
  C      -8.735578      2.381631      2.815629
  H      -7.899145      1.233787     -0.899233
  H      -6.415705      1.468376     -1.883472
  H      -7.056794     -0.178744     -1.545929
  H      -8.501827     -0.467394      0.482261
  H      -9.149572     -1.912983      2.402245
  H      -2.529731     -2.075309      5.395343
  H      -4.587642      0.037435      2.228121
  H      -9.289723      9.730683     -0.193985
  H      -7.867566      9.980130     -1.216798
  H      -9.242925      8.994644     -1.823810
  H      -7.410884     10.218304      1.179381
  H      -5.844370     10.279980      3.117849
  H      -5.135349      3.468841      3.678093
  H      -6.497359      6.048259      0.601737
  H     -10.790249      3.715839     -1.102700
  H      -9.564236      4.874393     -0.487955
  H     -11.108589      4.715420      0.353758
  H      -9.222757      5.567257      1.692639
  H      -8.139646      6.064773      3.888861
  H      -6.477853      1.416862      7.278057
  H      -8.923570      1.349481      2.522184
  N      -3.136452      1.957600      3.160618
  N      -3.404760      2.638159      1.979007
  H      -4.059847      2.059225      1.356429
  H      -2.525081      2.771846      1.457816
  H      -3.962015      3.718415      2.020164
91
Coordinates from ORCA-job orca E -6725.230104796812
  N      -1.930564     -0.009658      5.251617
  Mo     -3.305340      1.499155      4.872732
  N      -4.476922      1.357350      6.608589
  C      -3.953090      1.824922      7.891998
  C      -2.433767      1.785781      7.836211
  N      -1.881268      2.245966      6.513574
  C      -0.544558      1.601925      6.281391
  C      -0.712594      0.105996      6.025195
  C      -1.726888      3.731256      6.411367
  C      -3.053976      4.422815      6.150448
  N      -3.811340      3.622848      5.194550
  H       0.158375     -0.266594      5.463160
  H      -0.780787     -0.479090      6.955864
  H      -0.119209      2.076086      5.387631
  H       0.126377      1.801261      7.132068
  H      -3.644351      4.526427      7.074690
  H      -2.876471      5.437922      5.764784
  H      -1.237095      4.118275      7.319397
  H      -1.058467      3.911079      5.558413
  H      -4.289091      1.180559      8.722353
  H      -4.315824      2.842248      8.108570
  H      -2.107230      0.747584      7.968515
  H      -1.986601      2.385750      8.644364
  C      -6.898357      0.829818     -1.140058
  C      -6.062878      0.774233      0.102949
  O      -5.024377      1.453449      0.175251
  C      -6.490574     -0.100395      1.220995
  C      -7.774631     -0.678305      1.263425
  C      -8.151504     -1.481575      2.332637
  C      -7.236493     -1.736505      3.350610
  F      -7.624940     -2.510914      4.367899
  C      -5.938017     -1.192622      3.337967
  C      -4.916077     -1.570704      4.346627
  O      -4.899722     -2.653487      4.918080
  N      -3.881075     -0.629566      4.534440
  C      -2.741143     -1.037916      5.100695
  C      -5.597419     -0.367261      2.264885
  C      -8.642903      9.249021     -0.944889
  C      -8.033081      7.991746     -0.376159
  O      -8.313749      6.885296     -0.833429
  C      -7.071477      8.113946      0.763687
  C      -6.880828      9.312285      1.471628
  C      -6.015864      9.358172      2.561060
  C      -5.347489      8.200744      2.948419
  F      -4.506160      8.286326      3.996220
  C      -5.499768      6.984923      2.259311
  C      -4.878047      5.701300      2.670428
  O      -4.622506      4.852433      1.739268
  N      -4.651054      5.482702      3.971561
  C      -4.539319      4.182679      4.263480
  C      -6.359200      6.976124      1.156062
  C     -10.341292      4.150889     -0.202466
  C      -9.764243      3.052257      0.649513
  O      -9.788140      1.877167      0.280643
  C      -9.137718      3.414409      1.959042
  C      -8.921572      4.747337      2.346587
  C      -8.309634      5.038490      3.563035
  C      -7.897998      3.986475      4.372479
  F      -7.321213      4.283200      5.562775
  C      -8.082350      2.643062      4.020350
  C      -7.604535      1.508870      4.887784
  O      -8.343516      0.577331      5.192959
  N      -6.255848      1.585591      5.191875
  C      -5.804278      1.427720      6.404374
  C      -8.734605      2.381059      2.816284
  H      -7.896331      1.232981     -0.902753
  H      -6.411537      1.466814     -1.885237
  H      -7.053714     -0.179909     -1.548213
  H      -8.500558     -0.466694      0.479457
  H      -9.150878     -1.910794      2.399833
  H      -2.535324     -2.074992      5.401312
  H      -4.587934      0.037547      2.228834
  H      -9.290386      9.731441     -0.195621
  H      -7.866976      9.979654     -1.217017
  H      -9.242358      8.994781     -1.825064
  H      -7.413535     10.217879      1.181031
  H      -5.848286     10.278591      3.120579
  H      -5.136474      3.468689      3.680029
  H      -6.498349      6.048540      0.601322
  H     -10.787389      3.715782     -1.102772
  H      -9.560835      4.873984     -0.488725
  H     -11.105128      4.715710      0.353638
  H      -9.221808      5.566816      1.693806
  H      -8.140844      6.064221      3.890738
  H      -6.476801      1.417086      7.278823
  H      -8.921735      1.348793      2.522693
  N      -3.135906      1.958389      3.160334
  N      -3.405475      2.639293      1.979341
  H      -4.060020      2.059836      1.356925
  H      -2.526213      2.774026      1.457715
  H      -3.964523      3.720272      2.020328
91
Coordinates from ORCA-job orca E -6725.230106039467
  N      -1.930884     -0.010874      5.251782
  Mo     -3.304708      1.498621      4.872688
  N      -4.476103      1.356699      6.608761
  C      -3.952422      1.825824      7.891653
  C      -2.433097      1.786657      7.836083
  N      -1.880494      2.245434      6.512970
  C      -0.544181      1.600304      6.281169
  C      -0.713221      0.104275      6.025883
  C      -1.725359      3.730551      6.409559
  C      -3.052406      4.422704      6.149417
  N      -3.811193      3.622544      5.194773
  H       0.157729     -0.269339      5.464498
  H      -0.782235     -0.480102      6.956940
  H      -0.118405      2.073531      5.387114
  H       0.126887      1.799686      7.131731
  H      -3.641819      4.527188      7.074170
  H      -2.874565      5.437495      5.763065
  H      -1.234564      4.117952      7.316888
  H      -1.057549      3.909374      5.555915
  H      -4.288566      1.182560      8.722805
  H      -4.315138      2.843448      8.106825
  H      -2.106472      0.748646      7.969628
  H      -1.986054      2.387586      8.643594
  C      -6.897005      0.833804     -1.140264
  C      -6.061790      0.777001      0.102886
  O      -5.022391      1.454781      0.175428
  C      -6.490069     -0.098160      1.220323
  C      -7.774317     -0.675710      1.262081
  C      -8.151751     -1.479391      2.330772
  C      -7.237168     -1.735056      3.348960
  F      -7.626183     -2.509960      4.365625
  C      -5.938551     -1.191457      3.337029
  C      -4.917239     -1.569960      4.346096
  O      -4.901538     -2.652684      4.917674
  N      -3.881681     -0.629356      4.534011
  C      -2.742292     -1.038474      5.101222
  C      -5.597347     -0.365758      2.264378
  C      -8.641127      9.245437     -0.949084
  C      -8.031922      7.988512     -0.378968
  O      -8.310830      6.881890     -0.836905
  C      -7.072055      8.111312      0.762275
  C      -6.883887      9.309543      1.471053
  C      -6.020538      9.355914      2.561743
  C      -5.351232      8.199163      2.949514
  F      -4.511422      8.285451      3.998425
  C      -5.501134      6.983432      2.259656
  C      -4.878963      5.700350      2.671312
  O      -4.623456      4.851034      1.740222
  N      -4.652245      5.481952      3.972284
  C      -4.539990      4.181926      4.264467
  C      -6.359034      6.974155      1.155182
  C     -10.341542      4.152742     -0.200102
  C      -9.764738      3.053605      0.651386
  O      -9.788229      1.878768      0.281682
  C      -9.137876      3.415067      1.960956
  C      -8.921737      4.747815      2.349151
  C      -8.309590      5.038423      3.565625
  C      -7.897747      3.986028      4.374464
  F      -7.320687      4.282145      5.564779
  C      -8.082165      2.642781      4.021722
  C      -7.604310      1.508278      4.888805
  O      -8.343440      0.576997      5.194345
  N      -6.255480      1.584702      5.192292
  C      -5.803498      1.427058      6.404657
  C      -8.734549      2.381314      2.817614
  H      -7.894545      1.238032     -0.902989
  H      -6.409338      1.470454     -1.885191
  H      -7.053407     -0.175629     -1.548741
  H      -8.499858     -0.463516      0.477922
  H      -9.151246     -1.908421      2.397403
  H      -2.537853     -2.075460      5.403073
  H      -4.587692      0.038689      2.228901
  H      -9.290105      9.727878     -0.201132
  H      -7.864861      9.976201     -1.219920
  H      -9.238890      8.990848     -1.830305
  H      -7.417255     10.214641      1.180125
  H      -5.854809     10.276217      3.122006
  H      -5.137433      3.467587      3.681692
  H      -6.496337      6.046620      0.599856
  H     -10.787307      3.718051     -1.100781
  H      -9.561253      4.876262     -0.485703
  H     -11.105741      4.716916      0.356169
  H      -9.222135      5.567569      1.696790
  H      -8.140835      6.064043      3.893720
  H      -6.475842      1.416616      7.279261
  H      -8.921667      1.349141      2.523685
  N      -3.134335      1.959102      3.160642
  N      -3.404795      2.640631      1.980407
  H      -4.058598      2.060919      1.357604
  H      -2.525697      2.776653      1.458839
  H      -3.966199      3.722181      2.021085
91
Coordinates from ORCA-job orca E -6725.230107814348
  N      -1.930948     -0.012553      5.251718
  Mo     -3.303582      1.497960      4.872556
  N      -4.474758      1.355874      6.608970
  C      -3.951292      1.826252      7.891479
  C      -2.431984      1.786795      7.836103
  N      -1.879444      2.244503      6.512612
  C      -0.543606      1.598329      6.281129
  C      -0.713721      0.102144      6.026612
  C      -1.723648      3.729540      6.408245
  C      -3.050679      4.422224      6.148594
  N      -3.810550      3.622057      5.194823
  H       0.157305     -0.272306      5.465908
  H      -0.783605     -0.481689      6.957955
  H      -0.117354      2.070650      5.386819
  H       0.127634      1.797632      7.131575
  H      -3.639380      4.527074      7.073746
  H      -2.872566      5.436874      5.762013
  H      -1.232215      4.117272      7.315084
  H      -1.056219      3.907566      5.554140
  H      -4.287749      1.184080      8.723350
  H      -4.313799      2.844221      8.105351
  H      -2.105512      0.748835      7.970450
  H      -1.984880      2.388299      8.643150
  C      -6.896494      0.838026     -1.139580
  C      -6.060759      0.779466      0.103112
  O      -5.020375      1.455682      0.175695
  C      -6.489550     -0.096337      1.219931
  C      -7.774017     -0.673502      1.261108
  C      -8.151934     -1.477557      2.329334
  C      -7.237696     -1.733877      3.347692
  F      -7.627192     -2.509277      4.363802
  C      -5.938991     -1.190514      3.336416
  C      -4.918334     -1.569157      4.345995
  O      -4.903246     -2.651600      4.918062
  N      -3.882075     -0.629079      4.533367
  C      -2.743624     -1.039120      5.101716
  C      -5.597202     -0.364624      2.264068
  C      -8.640059      9.241824     -0.954356
  C      -8.031296      7.985101     -0.383400
  O      -8.307839      6.878498     -0.842836
  C      -7.074079      8.108034      0.760051
  C      -6.889415      9.305708      1.470628
  C      -6.028328      9.352231      2.563093
  C      -5.357674      8.196243      2.950805
  F      -4.519873      8.282952      4.001197
  C      -5.504339      6.980951      2.259341
  C      -4.881370      5.698440      2.671250
  O      -4.626091      4.848648      1.740133
  N      -4.654488      5.480406      3.972018
  C      -4.541002      4.180418      4.265068
  C      -6.360104      6.971547      1.153193
  C     -10.339311      4.156848     -0.198221
  C      -9.763366      3.056984      0.652873
  O      -9.786907      1.882401      0.282370
  C      -9.136469      3.417464      1.962721
  C      -8.920470      4.749912      2.352030
  C      -8.308473      5.039580      3.568781
  C      -7.896602      3.986581      4.376818
  F      -7.319434      4.281722      5.567329
  C      -8.081041      2.643615      4.023040
  C      -7.603555      1.508664      4.889901
  O      -8.343333      0.578141      5.196119
  N      -6.254504      1.584150      5.192598
  C      -5.802159      1.426546      6.404861
  C      -8.733237      2.383057      2.818641
  H      -7.892982      1.244238     -0.901248
  H      -6.408307      1.473860     -1.884854
  H      -7.055104     -0.171047     -1.548050
  H      -8.499195     -0.460821      0.476753
  H      -9.151537     -1.906413      2.395489
  H      -2.541224     -2.075917      5.405567
  H      -4.587364      0.039419      2.229100
  H      -9.290701      9.723930     -0.207651
  H      -7.863413      9.972887     -1.223362
  H      -9.235882      8.987257     -1.836888
  H      -7.423763     10.210231      1.179697
  H      -5.865159     10.272066      3.124879
  H      -5.138395      3.465166      3.683323
  H      -6.494834      6.044377      0.596681
  H     -10.784037      3.722817     -1.099737
  H      -9.559098      4.881051     -0.482241
  H     -11.104421      4.720101      0.357766
  H      -9.220881      5.570040      1.700161
  H      -8.139841      6.064951      3.897625
  H      -6.474391      1.416414      7.279582
  H      -8.920357      1.351123      2.523946
  N      -3.132215      1.959683      3.160768
  N      -3.403850      2.641747      1.981288
  H      -4.057331      2.061785      1.358346
  H      -2.525025      2.778746      1.459517
  H      -3.967434      3.723884      2.021500
91
Coordinates from ORCA-job orca E -6725.230108861312
  N      -1.931356     -0.013779      5.250573
  Mo     -3.302999      1.497609      4.872085
  N      -4.473499      1.355257      6.609193
  C      -3.950118      1.827983      7.890908
  C      -2.430815      1.788059      7.835496
  N      -1.878547      2.243992      6.511261
  C      -0.543231      1.596366      6.279760
  C      -0.714571      0.100155      6.026218
  C      -1.721611      3.728741      6.405204
  C      -3.048463      4.422400      6.146296
  N      -3.810342      3.621954      5.194293
  H       0.156437     -0.275537      5.466325
  H      -0.785480     -0.482854      6.958008
  H      -0.116754      2.067510      5.384929
  H       0.128537      1.795635      7.129795
  H      -3.636061      4.528354      7.072009
  H      -2.869655      5.436601      5.758895
  H      -1.228912      4.117103      7.311075
  H      -1.055005      3.905237      5.550142
  H      -4.286886      1.187715      8.724113
  H      -4.312331      2.846508      8.102574
  H      -2.104772      0.750106      7.970980
  H      -1.983342      2.390365      8.641728
  C      -6.894673      0.842138     -1.140355
  C      -6.059203      0.782141      0.102487
  O      -5.019300      1.458848      0.176795
  C      -6.489090     -0.094242      1.218624
  C      -7.773606     -0.671409      1.258417
  C      -8.152461     -1.475683      2.326114
  C      -7.239167     -1.732148      3.345307
  F      -7.629691     -2.507985      4.360673
  C      -5.940488     -1.188763      3.335561
  C      -4.920888     -1.567414      4.346314
  O      -4.906485     -2.649451      4.919043
  N      -3.883558     -0.628030      4.532383
  C      -2.745633     -1.039094      5.102518
  C      -5.597691     -0.362748      2.263520
  C      -8.636085      9.239286     -0.959329
  C      -8.028110      7.982896     -0.386899
  O      -8.302559      6.876150     -0.847277
  C      -7.073612      8.106226      0.758790
  C      -6.892345      9.303563      1.470735
  C      -6.033719      9.350587      2.565133
  C      -5.361940      8.195439      2.953363
  F      -4.526333      8.282761      4.005327
  C      -5.505485      6.980363      2.260667
  C      -4.882494      5.698327      2.673504
  O      -4.627926      4.847784      1.742309
  N      -4.655331      5.480394      3.973890
  C      -4.541874      4.179971      4.266141
  C      -6.358916      6.970427      1.152683
  C     -10.338074      4.155681     -0.196404
  C      -9.763334      3.055851      0.655460
  O      -9.787615      1.881087      0.285583
  C      -9.136742      3.416437      1.965460
  C      -8.921447      4.748905      2.355259
  C      -8.309894      5.038481      3.572249
  C      -7.897666      3.985395      4.379974
  F      -7.320386      4.280315      5.570452
  C      -8.081577      2.642452      4.025766
  C      -7.603862      1.507743      4.893030
  O      -8.344304      0.578550      5.201603
  N      -6.254407      1.582413      5.193619
  C      -5.800958      1.425831      6.405591
  C      -8.733391      2.381920      2.821260
  H      -7.890595      1.249560     -0.901603
  H      -6.406062      1.477645     -1.885632
  H      -7.054493     -0.166680     -1.548909
  H      -8.497998     -0.458563      0.473385
  H      -9.152083     -1.904655      2.391243
  H      -2.545718     -2.075422      5.409582
  H      -4.587731      0.041079      2.229532
  H      -9.287818      9.722037     -0.214015
  H      -7.858698      9.969986     -1.227305
  H      -9.230390      8.984433     -1.842790
  H      -7.427612     10.207422      1.179412
  H      -5.873128     10.270105      3.128188
  H      -5.140268      3.464502      3.685694
  H      -6.491231      6.043224      0.595532
  H     -10.781073      3.721623     -1.098757
  H      -9.558041      4.880733     -0.478713
  H     -11.104713      4.718131      0.358374
  H      -9.222207      5.568904      1.703411
  H      -8.141759      6.063861      3.901463
  H      -6.472636      1.416416      7.280779
  H      -8.920057      1.349995      2.526178
  N      -3.130462      1.961052      3.160628
  N      -3.404271      2.643787      1.982370
  H      -4.056989      2.063255      1.359168
  H      -2.525991      2.782751      1.460212
  H      -3.971477      3.726351      2.022479
91
Coordinates from ORCA-job orca E -6725.230110848922
  N      -1.930881     -0.013764      5.250373
  Mo     -3.302658      1.497712      4.871716
  N      -4.473465      1.354954      6.608719
  C      -3.950223      1.827391      7.890646
  C      -2.430939      1.787740      7.835334
  N      -1.878541      2.244009      6.511261
  C      -0.543145      1.596552      6.280028
  C      -0.714386      0.100332      6.026530
  C      -1.721701      3.728809      6.405361
  C      -3.048631      4.422328      6.146734
  N      -3.810414      3.621926      5.194638
  H       0.156807     -0.275335      5.466922
  H      -0.785651     -0.482690      6.958276
  H      -0.116620      2.067745      5.385243
  H       0.128439      1.795944      7.130175
  H      -3.636194      4.527727      7.072537
  H      -2.870247      5.436678      5.759558
  H      -1.228843      4.117099      7.311169
  H      -1.055364      3.905364      5.550098
  H      -4.286929      1.186801      8.723623
  H      -4.312676      2.845757      8.102669
  H      -2.104912      0.749739      7.970396
  H      -1.983518      2.389762      8.641799
  C      -6.893608      0.839125     -1.141407
  C      -6.058955      0.781083      0.102047
  O      -5.019263      1.458091      0.176302
  C      -6.489158     -0.094560      1.218712
  C      -7.773914     -0.671154      1.259041
  C      -8.152866     -1.474684      2.327293
  C      -7.239390     -1.731018      3.346343
  F      -7.630024     -2.506075      4.362336
  C      -5.940449     -1.188335      3.335971
  C      -4.920635     -1.567147      4.346509
  O      -4.907243     -2.648486      4.920533
  N      -3.883049     -0.627924      4.532015
  C      -2.745667     -1.038833      5.102925
  C      -5.597622     -0.362913      2.263498
  C      -8.637993      9.240715     -0.956864
  C      -8.029821      7.984114     -0.385086
  O      -8.305345      6.877464     -0.845053
  C      -7.074087      8.107098      0.759610
  C      -6.890879      9.304587      1.470766
  C      -6.031114      9.351410      2.564288
  C      -5.360182      8.195760      2.952440
  F      -4.523471      8.282493      4.003582
  C      -5.505580      6.980513      2.260422
  C      -4.883022      5.698177      2.673253
  O      -4.628880      4.847672      1.741837
  N      -4.655615      5.480259      3.973621
  C      -4.542052      4.179840      4.266156
  C      -6.360058      6.970775      1.153292
  C     -10.337437      4.155078     -0.197570
  C      -9.762884      3.055416      0.654580
  O      -9.787036      1.880607      0.284816
  C      -9.136391      3.416227      1.964564
  C      -8.921623      4.748726      2.354453
  C      -8.310468      5.038365      3.571624
  C      -7.898192      3.985378      4.379458
  F      -7.321434      4.280398      5.570164
  C      -8.081517      2.642400      4.025110
  C      -7.603898      1.507827      4.892669
  O      -8.344196      0.578176      5.200239
  N      -6.254471      1.582391      5.193225
  C      -5.800921      1.425649      6.405161
  C      -8.732789      2.381751      2.820351
  H      -7.889796      1.246475     -0.903588
  H      -6.405031      1.473720     -1.887458
  H      -7.052755     -0.170412     -1.548468
  H      -8.498452     -0.458470      0.474118
  H      -9.152660     -1.903171      2.392939
  H      -2.546432     -2.074955      5.411124
  H      -4.587538      0.040550      2.228872
  H      -9.288775      9.723585     -0.210789
  H      -7.860763      9.971251     -1.225721
  H      -9.233340      8.986027     -1.839672
  H      -7.425572     10.208799      1.179486
  H      -5.869109     10.271096      3.126661
  H      -5.140368      3.464396      3.685659
  H      -6.493786      6.043458      0.596758
  H     -10.780181      3.721081     -1.100066
  H      -9.557181      4.880034     -0.479597
  H     -11.104133      4.717858      0.356792
  H      -9.222629      5.568685      1.702662
  H      -8.142727      6.063726      3.901064
  H      -6.472505      1.416398      7.280414
  H      -8.919222      1.349899      2.524878
  N      -3.130180      1.961413      3.160349
  N      -3.404210      2.644169      1.982133
  H      -4.057061      2.063684      1.359089
  H      -2.526023      2.782965      1.459782
  H      -3.971275      3.727123      2.022653
91
Coordinates from ORCA-job orca E -6725.230113507986
  N      -1.931147     -0.015174      5.251171
  Mo     -3.301790      1.497323      4.871576
  N      -4.473106      1.354243      6.608346
  C      -3.950265      1.830402      7.889232
  C      -2.431000      1.791360      7.834550
  N      -1.878012      2.244584      6.509541
  C      -0.543059      1.595438      6.280060
  C      -0.715835      0.098913      6.029398
  C      -1.719962      3.729069      6.400667
  C      -3.047007      4.423267      6.144421
  N      -3.812054      3.621612      5.195863
  H       0.155798     -0.279148      5.472106
  H      -0.789651     -0.482109      6.962182
  H      -0.115822      2.064529      5.384498
  H       0.128286      1.795918      7.130125
  H      -3.631940      4.530528      7.071682
  H      -2.869096      5.436789      5.754913
  H      -1.224394      4.118460      7.304526
  H      -1.055758      3.903339      5.543263
  H      -4.286904      1.191892      8.723823
  H      -4.313380      2.849097      8.098439
  H      -2.104770      0.753761      7.972044
  H      -1.983973      2.395353      8.639739
  C      -6.892635      0.837656     -1.142558
  C      -6.058252      0.780104      0.101112
  O      -5.019144      1.457805      0.176006
  C      -6.488806     -0.095776      1.217540
  C      -7.773283     -0.672996      1.257120
  C      -8.152532     -1.476411      2.325397
  C      -7.239613     -1.731849      3.345134
  F      -7.630661     -2.506626      4.361279
  C      -5.940923     -1.188575      3.335517
  C      -4.921796     -1.566538      4.347108
  O      -4.909409     -2.647041      4.922601
  N      -3.883374     -0.627816      4.531426
  C      -2.747542     -1.039187      5.104623
  C      -5.597798     -0.363412      2.262938
  C      -8.639892      9.242852     -0.954030
  C      -8.031089      7.985838     -0.383777
  O      -8.307421      6.879535     -0.844061
  C      -7.074483      8.107977      0.760312
  C      -6.888562      9.305636      1.470402
  C      -6.027872      9.351941      2.563248
  C      -5.358904      8.195328      2.951802
  F      -4.521311      8.280897      4.002374
  C      -5.507020      6.979846      2.260792
  C      -4.885661      5.697086      2.674327
  O      -4.631081      4.846631      1.742537
  N      -4.659221      5.478997      3.974524
  C      -4.545184      4.178464      4.267643
  C      -6.362219      6.970605      1.154308
  C     -10.334532      4.155309     -0.198089
  C      -9.759782      3.055514      0.653733
  O      -9.783550      1.880864      0.283453
  C      -9.135065      3.415801      1.964724
  C      -8.921682      4.748083      2.356031
  C      -8.311963      5.036928      3.574075
  C      -7.899901      3.983419      4.381384
  F      -7.324281      4.277687      5.572885
  C      -8.082021      2.640676      4.025740
  C      -7.604243      1.505662      4.892734
  O      -8.344745      0.576201      5.200338
  N      -6.254796      1.580095      5.193158
  C      -5.800703      1.424935      6.405064
  C      -8.731752      2.380745      2.820009
  H      -7.889081      1.244327     -0.904619
  H      -6.404733      1.472599     -1.888735
  H      -7.051069     -0.172055     -1.549472
  H      -8.497622     -0.461006      0.471859
  H      -9.152144     -1.905392      2.390516
  H      -2.550760     -2.075035      5.415297
  H      -4.587998      0.040817      2.228635
  H      -9.290180      9.724888     -0.206971
  H      -7.863167      9.973860     -1.223014
  H      -9.235928      8.988707     -1.836533
  H      -7.421854     10.210539      1.178699
  H      -5.863836     10.271869      3.124627
  H      -5.144024      3.462687      3.688137
  H      -6.497984      6.043179      0.598545
  H     -10.775982      3.721895     -1.101489
  H      -9.554394      4.881021     -0.478564
  H     -11.102185      4.717300      0.355742
  H      -9.222691      5.568325      1.704600
  H      -8.144971      6.061928      3.904946
  H      -6.471791      1.417217      7.280700
  H      -8.917338      1.349255      2.522804
  N      -3.128237      1.962498      3.160762
  N      -3.403406      2.645838      1.983271
  H      -4.056434      2.065435      1.360727
  H      -2.525688      2.784785      1.460212
  H      -3.972556      3.730588      2.023373
91
Coordinates from ORCA-job orca E -6725.230116959268
  N      -1.930909     -0.016651      5.250217
  Mo     -3.300545      1.497063      4.870870
  N      -4.472193      1.353100      6.607670
  C      -3.949632      1.832691      7.887560
  C      -2.430413      1.794111      7.833285
  N      -1.877033      2.244609      6.507381
  C      -0.542610      1.593670      6.279229
  C      -0.717038      0.096991      6.030937
  C      -1.717634      3.728742      6.395761
  C      -3.044656      4.423935      6.141972
  N      -3.813323      3.621295      5.196995
  H       0.155110     -0.283349      5.476027
  H      -0.793628     -0.482316      6.964559
  H      -0.114793      2.060877      5.382947
  H       0.128680      1.794897      7.129146
  H      -3.626857      4.533233      7.070708
  H      -2.866859      5.436588      5.750214
  H      -1.219288      4.119041      7.297701
  H      -1.055576      3.900733      5.536221
  H      -4.286237      1.196167      8.723675
  H      -4.313264      2.851722      8.094163
  H      -2.104133      0.756808      7.972776
  H      -1.983512      2.399731      8.637299
  C      -6.890192      0.836323     -1.144804
  C      -6.057344      0.780367      0.099988
  O      -5.019018      1.458955      0.176132
  C      -6.488807     -0.095468      1.216266
  C      -7.773213     -0.672825      1.254982
  C      -8.153231     -1.475723      2.323415
  C      -7.241118     -1.730450      3.344025
  F      -7.633050     -2.504764      4.360256
  C      -5.942413     -1.187184      3.335231
  C      -4.924203     -1.564489      4.348055
  O      -4.914012     -2.643360      4.926505
  N      -3.884047     -0.626931      4.529982
  C      -2.749911     -1.039044      5.106178
  C      -5.598584     -0.362502      2.262463
  C      -8.640180      9.243166     -0.953039
  C      -8.030994      7.986144     -0.383180
  O      -8.306493      6.880004     -0.844322
  C      -7.074483      8.108163      0.761032
  C      -6.887511      9.306025      1.470440
  C      -6.026949      9.352353      2.563417
  C      -5.359241      8.195326      2.952800
  F      -4.521902      8.280308      4.003619
  C      -5.508298      6.979630      2.262335
  C      -4.887779      5.696818      2.676831
  O      -4.632785      4.846385      1.744529
  N      -4.662104      5.478418      3.976734
  C      -4.547838      4.177595      4.269769
  C      -6.363235      6.970350      1.155701
  C     -10.331510      4.154044     -0.198500
  C      -9.757861      3.054220      0.653960
  O      -9.781505      1.879577      0.283625
  C      -9.134300      3.414404      1.965540
  C      -8.922415      4.746603      2.357873
  C      -8.314105      5.035078      3.576696
  C      -7.901988      3.981318      4.383670
  F      -7.327527      4.275143      5.575872
  C      -8.082674      2.638677      4.027042
  C      -7.604774      1.503664      4.894144
  O      -8.345530      0.574601      5.202255
  N      -6.255095      1.577605      5.193326
  C      -5.799935      1.423799      6.404990
  C      -8.730900      2.379018      2.820505
  H      -7.886851      1.243274     -0.908151
  H      -6.401903      1.470402     -1.891445
  H      -7.048195     -0.173982     -1.550393
  H      -8.497086     -0.461445      0.469148
  H      -9.152817     -1.904849      2.387940
  H      -2.556817     -2.074213      5.421391
  H      -4.588885      0.042028      2.228462
  H      -9.290185      9.725056     -0.205648
  H      -7.863720      9.974333     -1.222382
  H      -9.236486      8.988991     -1.835351
  H      -7.419955     10.211197      1.178024
  H      -5.862241     10.272530      3.124183
  H      -5.147687      3.461830      3.691318
  H      -6.499680      6.042740      0.600445
  H     -10.770894      3.721048     -1.103095
  H      -9.551258      4.880478     -0.476845
  H     -11.100668      4.715396      0.353920
  H      -9.223747      5.566951      1.706725
  H      -8.148095      6.059867      3.908745
  H      -6.470277      1.417476      7.281206
  H      -8.915596      1.347790      2.521830
  N      -3.125683      1.964666      3.160815
  N      -3.403225      2.648859      1.984631
  H      -4.056129      2.068325      1.362643
  H      -2.526370      2.788866      1.460438
  H      -3.975752      3.735762      2.024900
91
Coordinates from ORCA-job orca E -6725.230123052335
  N      -1.931754     -0.022067      5.249163
  Mo     -3.297111      1.495761      4.870157
  N      -4.469716      1.350409      6.606840
  C      -3.947917      1.841948      7.882936
  C      -2.428788      1.804185      7.830170
  N      -1.873929      2.244523      6.501034
  C      -0.541525      1.586920      6.277346
  C      -0.722012      0.089669      6.036980
  C      -1.709602      3.727345      6.379827
  C      -3.036416      4.426145      6.133418
  N      -3.817070      3.620243      5.200380
  H       0.151365     -0.298562      5.489543
  H      -0.807185     -0.483620      6.973570
  H      -0.111345      2.047497      5.378732
  H       0.129674      1.790334      7.126773
  H      -3.609661      4.543199      7.066738
  H      -2.858259      5.435627      5.733815
  H      -1.202406      4.120668      7.275520
  H      -1.053988      3.891513      5.513786
  H      -4.284657      1.212752      8.724537
  H      -4.312709      2.862404      8.080042
  H      -2.102261      0.768103      7.977666
  H      -1.982481      2.416075      8.629715
  C      -6.882318      0.840504     -1.150224
  C      -6.052799      0.784730      0.096918
  O      -5.015327      1.463731      0.176878
  C      -6.487309     -0.092114      1.211579
  C      -7.771564     -0.669819      1.246516
  C      -8.154456     -1.472518      2.314152
  C      -7.245379     -1.726455      3.337613
  F      -7.640481     -2.500647      4.352781
  C      -5.946689     -1.182887      3.332631
  C      -4.932086     -1.558781      4.349523
  O      -4.927314     -2.634213      4.934160
  N      -3.887172     -0.624799      4.526574
  C      -2.757592     -1.039899      5.110381
  C      -5.600041     -0.358586      2.260373
  C      -8.640136      9.239736     -0.953395
  C      -8.030889      7.983007     -0.382922
  O      -8.303563      6.876990     -0.845967
  C      -7.075123      8.105469      0.761922
  C      -6.886887      9.303989      1.469742
  C      -6.027168      9.350955      2.563439
  C      -5.361753      8.193495      2.955166
  F      -4.525438      8.277955      4.006819
  C      -5.511922      6.977122      2.266082
  C      -4.893590      5.694663      2.683790
  O      -4.637320      4.843537      1.750549
  N      -4.670865      5.475876      3.982748
  C      -4.555891      4.174429      4.276537
  C      -6.365709      6.967147      1.158633
  C     -10.324781      4.151840     -0.196582
  C      -9.753641      3.051436      0.656699
  O      -9.776650      1.877051      0.285466
  C      -9.133154      3.410597      1.970050
  C      -8.924365      4.742423      2.365207
  C      -8.319195      5.029533      3.585901
  C      -7.907221      3.974802      4.391722
  F      -7.335082      4.267003      5.585538
  C      -8.085055      2.632562      4.032430
  C      -7.606614      1.497073      4.899042
  O      -8.348057      0.569427      5.209468
  N      -6.256326      1.570013      5.194945
  C      -5.797944      1.420808      6.405821
  C      -8.730034      2.374096      2.824028
  H      -7.878954      1.248922     -0.915945
  H      -6.392039      1.473425     -1.896527
  H      -7.040676     -0.170076     -1.554934
  H      -8.493458     -0.459137      0.458723
  H      -9.154027     -1.902106      2.375771
  H      -2.574333     -2.073664      5.435879
  H      -4.590513      0.046602      2.228560
  H      -9.289973      9.722055     -0.206167
  H      -7.863822      9.970814     -1.223466
  H      -9.236376      8.984973     -1.835583
  H      -7.417751     10.209454      1.175362
  H      -5.861718     10.271873      3.122741
  H      -5.159090      3.458339      3.701871
  H      -6.502953      6.039005      0.604452
  H     -10.759161      3.720109     -1.104180
  H      -9.544697      4.880478     -0.469611
  H     -11.097754      4.710798      0.353014
  H      -9.225863      5.563339      1.714859
  H      -8.155057      6.053719      3.920813
  H      -6.466105      1.418563      7.283745
  H      -8.912719      1.343545      2.521784
  N      -3.117586      1.970372      3.162429
  N      -3.401398      2.657152      1.990124
  H      -4.052861      2.075941      1.368955
  H      -2.526611      2.801079      1.463623
  H      -3.985450      3.750475      2.029389
91
Coordinates from ORCA-job orca E -6725.230135772973
  N      -1.935140     -0.033892      5.250063
  Mo     -3.290510      1.492974      4.870479
  N      -4.465139      1.347334      6.606755
  C      -3.944622      1.859980      7.875699
  C      -2.425646      1.821776      7.826250
  N      -1.867416      2.242845      6.491575
  C      -0.539538      1.571832      6.276628
  C      -0.732688      0.073647      6.050383
  C      -1.692794      3.723056      6.352934
  C      -3.018380      4.429593      6.118206
  N      -3.820263      3.618686      5.206453
  H       0.142300     -0.329361      5.516397
  H      -0.833473     -0.488483      6.992188
  H      -0.103918      2.019804      5.374214
  H       0.131378      1.778294      7.125484
  H      -3.575852      4.561316      7.059027
  H      -2.838538      5.433059      5.704597
  H      -1.170501      4.121247      7.237766
  H      -1.047629      3.872550      5.476368
  H      -4.282639      1.244872      8.727179
  H      -4.310134      2.883367      8.055075
  H      -2.099604      0.787852      7.988858
  H      -1.980255      2.444838      8.617591
  C      -6.866805      0.854970     -1.158786
  C      -6.042085      0.795985      0.091560
  O      -5.004412      1.473200      0.178019
  C      -6.483198     -0.082419      1.202928
  C      -7.767946     -0.659147      1.230685
  C      -8.157006     -1.461911      2.296143
  C      -7.253786     -1.716335      3.324611
  F      -7.655279     -2.490981      4.337004
  C      -5.954634     -1.173447      3.326963
  C      -4.947296     -1.548322      4.351012
  O      -4.952063     -2.618829      4.944312
  N      -3.893913     -0.621408      4.521779
  C      -2.772998     -1.042979      5.117898
  C      -5.601738     -0.349615      2.256275
  C      -8.645737      9.228021     -0.953900
  C      -8.036470      7.972118     -0.381683
  O      -8.304076      6.866018     -0.847422
  C      -7.081117      8.095975      0.763409
  C      -6.892878      9.295173      1.469804
  C      -6.033734      9.343716      2.564007
  C      -5.369063      8.186656      2.957659
  F      -4.533299      8.271259      4.009642
  C      -5.519235      6.969483      2.269826
  C      -4.902727      5.688351      2.692032
  O      -4.644295      4.835855      1.757118
  N      -4.684174      5.469821      3.989195
  C      -4.567409      4.167968      4.287523
  C      -6.372050      6.957871      1.161726
  C     -10.312872      4.149964     -0.193130
  C      -9.746452      3.048481      0.661709
  O      -9.768774      1.874439      0.289318
  C      -9.130120      3.406087      1.977525
  C      -8.924563      4.737315      2.376163
  C      -8.323685      5.022415      3.599416
  C      -7.912857      3.966326      4.404115
  F      -7.343818      4.256112      5.600186
  C      -8.087743      2.624697      4.041526
  C      -7.609308      1.488409      4.907879
  O      -8.352352      0.563516      5.222181
  N      -6.258036      1.559050      5.198694
  C      -5.794167      1.418036      6.408178
  C      -8.728346      2.368060      2.830539
  H      -7.862464      1.267343     -0.927268
  H      -6.372245      1.485991     -1.903840
  H      -7.027666     -0.155130     -1.563605
  H      -8.485698     -0.448165      0.439258
  H      -9.157022     -1.891248      2.352077
  H      -2.607275     -2.074694      5.458853
  H      -4.591871      0.055126      2.228927
  H      -9.295850      9.711067     -0.207433
  H      -7.869552      9.959002     -1.224729
  H      -9.241330      8.972024     -1.836161
  H      -7.423413     10.200301      1.173787
  H      -5.868518     10.265528      3.121867
  H      -5.176807      3.450346      3.721106
  H      -6.509281      6.029236      0.608492
  H     -10.740001      3.719947     -1.104968
  H      -9.532859      4.881488     -0.458481
  H     -11.091273      4.705757      0.352133
  H      -9.225324      5.559076      1.726552
  H      -8.161411      6.045763      3.937691
  H      -6.458756      1.423169      7.288878
  H      -8.908929      1.338530      2.523713
  N      -3.101932      1.978974      3.166817
  N      -3.395402      2.669799      2.000854
  H      -4.043851      2.087221      1.380325
  H      -2.523558      2.820377      1.471467
  H      -3.999796      3.774435      2.036983
91
Coordinates from ORCA-job orca E -6725.230147759353
  N      -1.938862     -0.047585      5.250854
  Mo     -3.282256      1.489931      4.870679
  N      -4.459463      1.344807      6.606429
  C      -3.940326      1.879628      7.867475
  C      -2.421538      1.840155      7.821724
  N      -1.859700      2.240273      6.481427
  C      -0.537008      1.554363      6.276190
  C      -0.744697      0.055266      6.065152
  C      -1.674058      3.717422      6.324109
  C      -2.998359      4.432456      6.101219
  N      -3.822498      3.616667      5.212345
  H       0.131606     -0.364066      5.546134
  H      -0.862708     -0.494351      7.012342
  H      -0.095215      1.988380      5.369905
  H       0.133571      1.763833      7.124513
  H      -3.538979      4.579959      7.049431
  H      -2.816817      5.429265      5.672663
  H      -1.136148      4.120564      7.197301
  H      -1.039895      3.851228      5.436953
  H      -4.280190      1.279935      8.729188
  H      -4.306070      2.906010      8.027802
  H      -2.096603      0.808586      8.000404
  H      -1.976732      2.474731      8.604145
  C      -6.849692      0.869105     -1.167866
  C      -6.030289      0.807167      0.085966
  O      -4.992316      1.482290      0.179175
  C      -6.478987     -0.071982      1.194261
  C      -7.764550     -0.646931      1.214684
  C      -8.160688     -1.448846      2.278301
  C      -7.263935     -1.703597      3.312291
  F      -7.672628     -2.477882      4.322209
  C      -5.964051     -1.162118      3.322110
  C      -4.964866     -1.535627      4.354064
  O      -4.980783     -2.600038      4.957707
  N      -3.901466     -0.617329      4.516992
  C      -2.790960     -1.046325      5.126728
  C      -5.603969     -0.339732      2.252616
  C      -8.655544      9.214526     -0.952548
  C      -8.044928      7.959609     -0.379656
  O      -8.305733      6.853634     -0.849463
  C      -7.090327      8.084891      0.765974
  C      -6.903376      9.284367      1.471945
  C      -6.045084      9.334430      2.566867
  C      -5.380158      8.178086      2.961655
  F      -4.545328      8.262755      4.014274
  C      -5.528974      6.960521      2.274029
  C      -4.913145      5.681068      2.700006
  O      -4.651611      4.827991      1.762718
  N      -4.698653      5.462431      3.995201
  C      -4.578919      4.160383      4.298623
  C      -6.380561      6.947379      1.165092
  C     -10.296066      4.149730     -0.191843
  C      -9.735811      3.047037      0.665296
  O      -9.757883      1.873261      0.292011
  C      -9.124393      3.403017      1.983929
  C      -8.922233      4.733562      2.386236
  C      -8.326486      5.016488      3.612452
  C      -7.917398      3.958962      4.416239
  F      -7.352189      4.246102      5.615000
  C      -8.089172      2.618012      4.050177
  C      -7.611287      1.481018      4.916776
  O      -8.356444      0.559568      5.235636
  N      -6.258915      1.548732      5.202242
  C      -5.789315      1.416422      6.410237
  C      -8.724638      2.363372      2.836179
  H      -7.843816      1.286981     -0.939500
  H      -6.350005      1.496938     -1.912149
  H      -7.014305     -0.140647     -1.571911
  H      -8.477709     -0.435743      0.419228
  H      -9.161381     -1.877333      2.328400
  H      -2.646341     -2.075274      5.485129
  H      -4.593542      0.063967      2.229829
  H      -9.305945      9.697406     -0.206291
  H      -7.880153      9.946148     -1.224086
  H      -9.250615      8.957343     -1.834809
  H      -7.434370     10.188891      1.174895
  H      -5.881111     10.256851      3.124048
  H      -5.194390      3.440826      3.741023
  H      -6.516766      6.018617      0.612015
  H     -10.714680      3.721550     -1.108476
  H      -9.515898      4.884198     -0.448365
  H     -11.080669      4.702262      0.347978
  H      -9.221797      5.556234      1.737234
  H      -8.166230      6.038894      3.954267
  H      -6.450189      1.429859      7.293724
  H      -8.903077      1.335047      2.524364
  N      -3.083623      1.987401      3.171311
  N      -3.387374      2.681488      2.011593
  H      -4.032930      2.097175      1.392328
  H      -2.518783      2.838392      1.478836
  H      -4.013203      3.797969      2.043582
91
Coordinates from ORCA-job orca E -6725.230156213276
  N      -1.939882     -0.058306      5.246729
  Mo     -3.274474      1.487856      4.869344
  N      -4.454272      1.341505      6.604429
  C      -3.936578      1.896364      7.858062
  C      -2.417947      1.856405      7.815494
  N      -1.853379      2.238561      6.470437
  C      -0.534727      1.540321      6.273525
  C      -0.754350      0.040678      6.075116
  C      -1.659253      3.712859      6.296662
  C      -2.982888      4.434860      6.084152
  N      -3.826996      3.614298      5.216666
  H       0.123588     -0.392467      5.570429
  H      -0.888337     -0.498027      7.026462
  H      -0.087987      1.962537      5.364039
  H       0.135509      1.752589      7.121369
  H      -3.507939      4.597086      7.038631
  H      -2.800370      5.425298      5.641593
  H      -1.107890      4.120425      7.159378
  H      -1.035112      3.833235      5.400435
  H      -4.277869      1.310512      8.728716
  H      -4.302842      2.925027      8.001283
  H      -2.093615      0.827151      8.007897
  H      -1.973693      2.500966      8.589972
  C      -6.834427      0.877669     -1.175861
  C      -6.020883      0.815036      0.081914
  O      -4.983713      1.489695      0.181816
  C      -6.476057     -0.064768      1.187666
  C      -7.761992     -0.638789      1.201679
  C      -8.164219     -1.439219      2.264257
  C      -7.273357     -1.692952      3.303576
  F      -7.688460     -2.466296      4.311654
  C      -5.973045     -1.152193      3.319871
  C      -4.981146     -1.522338      4.359569
  O      -5.007585     -2.578937      4.976060
  N      -3.907470     -0.612485      4.510883
  C      -2.806335     -1.047237      5.133788
  C      -5.606883     -0.331758      2.250794
  C      -8.660062      9.204880     -0.951141
  C      -8.048579      7.950858     -0.377272
  O      -8.301608      6.845187     -0.851968
  C      -7.095749      8.077400      0.769759
  C      -6.910483      9.277082      1.475554
  C      -6.053936      9.328496      2.571932
  C      -5.389264      8.172762      2.968415
  F      -4.556315      8.257305      4.022417
  C      -5.536346      6.954914      2.280761
  C      -4.922096      5.676804      2.710456
  O      -4.657641      4.823368      1.770815
  N      -4.711997      5.456932      4.003676
  C      -4.590731      4.154043      4.309068
  C      -6.385730      6.940394      1.170209
  C     -10.279363      4.147688     -0.191932
  C      -9.726272      3.043793      0.668113
  O      -9.748665      1.870144      0.294389
  C      -9.119885      3.398326      1.989542
  C      -8.921883      4.728294      2.395651
  C      -8.331480      5.009244      3.624881
  C      -7.923512      3.950367      4.427519
  F      -7.362229      4.235012      5.628908
  C      -8.091474      2.610016      4.057878
  C      -7.613672      1.472613      4.924847
  O      -8.360805      0.554930      5.249388
  N      -6.260175      1.537710      5.204351
  C      -5.784849      1.413404      6.410705
  C      -8.721646      2.357135      2.840940
  H      -7.826768      1.302197     -0.951868
  H      -6.329035      1.500680     -1.920323
  H      -7.003411     -0.132363     -1.577197
  H      -8.471002     -0.428479      0.402334
  H      -9.165289     -1.867392      2.309319
  H      -2.683058     -2.072110      5.511328
  H      -4.596219      0.071633      2.231831
  H      -9.309606      9.688877     -0.204960
  H      -7.884895      9.936121     -1.224585
  H      -9.255437      8.946431     -1.832815
  H      -7.441501     10.181119      1.177053
  H      -5.891531     10.251502      3.128564
  H      -5.212139      3.433763      3.758781
  H      -6.520435      6.011475      0.617012
  H     -10.687717      3.721357     -1.114038
  H      -9.499377      4.885823     -0.438084
  H     -11.071451      4.696134      0.341276
  H      -9.220676      5.551772      1.747324
  H      -8.173769      6.030762      3.970500
  H      -6.442046      1.434125      7.296871
  H      -8.897409      1.329942      2.524019
  N      -3.066842      1.996826      3.174264
  N      -3.381871      2.692563      2.020136
  H      -4.024987      2.105742      1.403419
  H      -2.516961      2.854961      1.483166
  H      -4.028845      3.820681      2.047432
91
Coordinates from ORCA-job orca E -6725.230187891850
  N      -1.933820     -0.049214      5.239655
  Mo     -3.279825      1.491047      4.868493
  N      -4.459187      1.341069      6.602961
  C      -3.940911      1.883611      7.861174
  C      -2.422339      1.843535      7.817580
  N      -1.858742      2.240053      6.476699
  C      -0.536978      1.551623      6.274745
  C      -0.746715      0.053101      6.064826
  C      -1.670698      3.716824      6.315580
  C      -2.993571      4.434907      6.095628
  N      -3.826456      3.616919      5.216762
  H       0.133281     -0.368326      5.553839
  H      -0.873502     -0.495236      7.011710
  H      -0.093027      1.983938      5.368685
  H       0.132426      1.761039      7.123988
  H      -3.526866      4.590152      7.046841
  H      -2.811071      5.428598      5.660463
  H      -1.129636      4.120210      7.186691
  H      -1.038456      3.846975      5.426475
  H      -4.281761      1.289650      8.726474
  H      -4.306067      2.911348      8.014383
  H      -2.097835      0.812233      7.998939
  H      -1.978416      2.480245      8.598699
  C      -6.841958      0.863320     -1.170573
  C      -6.025870      0.805105      0.085724
  O      -4.987903      1.479488      0.181792
  C      -6.477388     -0.074424      1.193172
  C      -7.763140     -0.649224      1.211209
  C      -8.161361     -1.449507      2.275257
  C      -7.266709     -1.702720      3.311582
  F      -7.678204     -2.475850      4.321221
  C      -5.966780     -1.161366      3.323686
  C      -4.970309     -1.529649      4.359855
  O      -4.990883     -2.586437      4.976228
  N      -3.901488     -0.614139      4.508624
  C      -2.792967     -1.042347      5.124113
  C      -5.604836     -0.340553      2.253507
  C      -8.659523      9.216027     -0.945994
  C      -8.054423      7.960154     -0.369661
  O      -8.317421      6.854137     -0.838455
  C      -7.093927      8.084602      0.771050
  C      -6.899248      9.284671      1.473386
  C      -6.035439      9.334664      2.564235
  C      -5.372758      8.177097      2.958562
  F      -4.531687      8.260001      4.006032
  C      -5.529863      6.958473      2.274391
  C      -4.919541      5.678026      2.703280
  O      -4.663883      4.820143      1.766487
  N      -4.704566      5.460935      3.996940
  C      -4.585429      4.158632      4.304647
  C      -6.386111      6.945298      1.169289
  C     -10.282129      4.150699     -0.196298
  C      -9.729630      3.046228      0.663208
  O      -9.752940      1.872560      0.289668
  C      -9.122490      3.400590      1.984439
  C      -8.923661      4.730702      2.389794
  C      -8.332248      5.011801      3.618420
  C      -7.923965      3.953406      4.421495
  F      -7.362299      4.238974      5.622291
  C      -8.092799      2.612892      4.052503
  C      -7.615150      1.475002      4.918875
  O      -8.362108      0.556218      5.241059
  N      -6.262647      1.541341      5.201832
  C      -5.789352      1.412497      6.408489
  C      -8.724135      2.359731      2.836187
  H      -7.833068      1.290461     -0.945805
  H      -6.337889      1.481467     -1.919917
  H      -7.012671     -0.148679     -1.566220
  H      -8.474383     -0.439579      0.413739
  H      -9.162141     -1.877957      2.323905
  H      -2.656389     -2.067497      5.496424
  H      -4.594377      0.063216      2.231517
  H      -9.300706      9.708566     -0.198174
  H      -7.879986      9.939668     -1.227088
  H      -9.262234      8.958323     -1.822868
  H      -7.428642     10.190278      1.176739
  H      -5.865492     10.258002      3.118097
  H      -5.205822      3.438859      3.752670
  H      -6.528008      6.016070      0.618782
  H     -10.689322      3.724822     -1.119154
  H      -9.502086      4.889550     -0.440198
  H     -11.074935      4.698704      0.336277
  H      -9.221867      5.553873      1.740778
  H      -8.173927      6.033561      3.962802
  H      -6.447837      1.428081      7.293856
  H      -8.900269      1.332064      2.520673
  N      -3.077983      1.997438      3.172050
  N      -3.389725      2.691559      2.015133
  H      -4.036748      2.106397      1.399603
  H      -2.523254      2.847053      1.478577
  H      -4.026493      3.822604      2.042069
91
Coordinates from ORCA-job orca E -6725.230237911446
  N      -1.933561     -0.051558      5.237463
  Mo     -3.278727      1.489830      4.870258
  N      -4.460089      1.340864      6.602301
  C      -3.942558      1.894179      7.856281
  C      -2.423897      1.851683      7.815829
  N      -1.857215      2.239846      6.473462
  C      -0.536667      1.546644      6.275444
  C      -0.749829      0.048629      6.068078
  C      -1.664387      3.715354      6.305750
  C      -2.985008      4.437838      6.086604
  N      -3.826190      3.616641      5.218121
  H       0.131468     -0.376986      5.562757
  H      -0.882801     -0.496937      7.015725
  H      -0.090039      1.975604      5.369101
  H       0.131793      1.756330      7.125350
  H      -3.512237      4.604507      7.039324
  H      -2.799254      5.426970      5.642444
  H      -1.119504      4.119783      7.174014
  H      -1.033489      3.839427      5.414838
  H      -4.285592      1.308791      8.726563
  H      -4.306084      2.923986      7.998962
  H      -2.100613      0.821253      8.004506
  H      -1.981022      2.493107      8.593691
  C      -6.837422      0.876806     -1.169946
  C      -6.021251      0.811704      0.086160
  O      -4.982039      1.483838      0.184685
  C      -6.474595     -0.070090      1.191112
  C      -7.760554     -0.644570      1.206006
  C      -8.160235     -1.447303      2.267552
  C      -7.267346     -1.702926      3.304903
  F      -7.680816     -2.478431      4.311589
  C      -5.967444     -1.161296      3.320638
  C      -4.973181     -1.529002      4.359248
  O      -4.994673     -2.584801      4.977225
  N      -3.902742     -0.614600      4.505797
  C      -2.792977     -1.043514      5.122310
  C      -5.603852     -0.338456      2.252408
  C      -8.646538      9.213267     -0.955624
  C      -8.045552      7.957620     -0.374638
  O      -8.304603      6.851425     -0.845320
  C      -7.089764      8.082650      0.769915
  C      -6.900773      9.282220      1.474644
  C      -6.041434      9.332862      2.569079
  C      -5.377307      8.176587      2.964534
  F      -4.540294      8.260293      4.015085
  C      -5.529023      6.958461      2.278196
  C      -4.919183      5.678654      2.708156
  O      -4.661698      4.820919      1.771009
  N      -4.704550      5.460563      4.000803
  C      -4.585856      4.157973      4.307533
  C      -6.380693      6.944523      1.169450
  C     -10.294024      4.145642     -0.187705
  C      -9.739751      3.040800      0.670076
  O      -9.762875      1.867393      0.295724
  C      -9.130055      3.394509      1.990360
  C      -8.929672      4.724599      2.395408
  C      -8.336165      5.005339      3.623208
  C      -7.927316      3.946679      4.425539
  F      -7.363252      4.231859      5.625158
  C      -8.097561      2.606243      4.056749
  C      -7.618379      1.467622      4.921335
  O      -8.363770      0.547046      5.241955
  N      -6.265958      1.535315      5.202730
  C      -5.790540      1.410547      6.408557
  C      -8.730696      2.353387      2.841370
  H      -7.827290      1.306255     -0.944623
  H      -6.330819      1.495639     -1.917003
  H      -7.011193     -0.133335     -1.568955
  H      -8.470405     -0.432652      0.407917
  H      -9.161067     -1.875958      2.313564
  H      -2.654493     -2.068152      5.495377
  H      -4.593255      0.065051      2.232973
  H      -9.290320      9.707831     -0.211410
  H      -7.864533      9.935288     -1.234111
  H      -9.245603      8.955148     -1.834856
  H      -7.431246     10.186963      1.177316
  H      -5.876096     10.255958      3.124739
  H      -5.210423      3.438833      3.759089
  H      -6.517993      6.015634      0.616739
  H     -10.699311      3.720275     -1.111653
  H      -9.516746      4.888071     -0.429221
  H     -11.089294      4.689406      0.345681
  H      -9.228216      5.548123      1.747005
  H      -8.176811      6.027264      3.967150
  H      -6.447513      1.428565      7.295095
  H      -8.907581      1.325499      2.526650
  N      -3.072847      1.999481      3.175506
  N      -3.388515      2.693614      2.020401
  H      -4.032094      2.106163      1.403627
  H      -2.522748      2.854771      1.484362
  H      -4.037279      3.826522      2.045905
91
Coordinates from ORCA-job orca E -6725.230250232141
  N      -1.935392     -0.063752      5.233241
  Mo     -3.271673      1.487966      4.871684
  N      -4.457336      1.340051      6.601113
  C      -3.941302      1.919531      7.844527
  C      -2.422909      1.871113      7.811247
  N      -1.849358      2.236752      6.464882
  C      -0.534623      1.528107      6.278213
  C      -0.762655      0.030636      6.081721
  C      -1.643066      3.708619      6.279521
  C      -2.959604      4.442666      6.068657
  N      -3.824474      3.616742      5.226793
  H       0.120996     -0.410034      5.593659
  H      -0.915699     -0.504535      7.032279
  H      -0.080067      1.944646      5.369981
  H       0.132106      1.738641      7.129219
  H      -3.468699      4.631541      7.027077
  H      -2.769444      5.422176      5.605523
  H      -1.084512      4.115536      7.137917
  H      -1.020191      3.816578      5.380870
  H      -4.289492      1.355228      8.726665
  H      -4.301452      2.953630      7.961792
  H      -2.103569      0.842794      8.017932
  H      -1.981229      2.523782      8.580391
  C      -6.822996      0.896697     -1.175785
  C      -6.011294      0.825519      0.083043
  O      -4.973179      1.497407      0.189796
  C      -6.470778     -0.059821      1.183106
  C      -7.756751     -0.634380      1.189405
  C      -8.162111     -1.439183      2.247204
  C      -7.275684     -1.695532      3.290019
  F      -7.695303     -2.473984      4.291805
  C      -5.976121     -1.152915      3.314946
  C      -4.990413     -1.516280      4.362888
  O      -5.021988     -2.564299      4.993172
  N      -3.909592     -0.610574      4.498152
  C      -2.808689     -1.044743      5.126909
  C      -5.606454     -0.329283      2.249133
  C      -8.652738      9.202411     -0.950246
  C      -8.054541      7.947405     -0.365184
  O      -8.308874      6.840988     -0.837943
  C      -7.096216      8.074035      0.777121
  C      -6.907983      9.273536      1.481817
  C      -6.047102      9.325713      2.575152
  C      -5.380539      8.170702      2.969462
  F      -4.541750      8.254856      4.018357
  C      -5.531377      6.952507      2.282734
  C      -4.921680      5.674444      2.714518
  O      -4.663170      4.816100      1.774381
  N      -4.708030      5.456011      4.004624
  C      -4.591181      4.153435      4.319201
  C      -6.384165      6.936993      1.174884
  C     -10.286266      4.132840     -0.189083
  C      -9.739639      3.028747      0.674345
  O      -9.765665      1.854198      0.303798
  C      -9.130490      3.384486      1.994461
  C      -8.928762      4.714970      2.397603
  C      -8.336805      4.996504      3.625994
  C      -7.930221      3.938365      4.430262
  F      -7.367040      4.224041      5.630308
  C      -8.101692      2.597689      4.063203
  C      -7.623332      1.459190      4.929112
  O      -8.370790      0.542327      5.255063
  N      -6.270259      1.524543      5.205927
  C      -5.788636      1.410679      6.409809
  C      -8.733914      2.344097      2.847628
  H      -7.810851      1.331506     -0.952514
  H      -6.311298      1.513782     -1.920765
  H      -7.000783     -0.111995     -1.576472
  H      -8.461995     -0.421432      0.387424
  H      -9.162820     -1.868832      2.286286
  H      -2.687325     -2.064893      5.517876
  H      -4.596023      0.074856      2.235496
  H      -9.295643      9.700388     -0.207629
  H      -7.869041      9.921979     -1.230534
  H      -9.251771      8.942961     -1.829087
  H      -7.440615     10.177388      1.185632
  H      -5.882797     10.249270      3.130309
  H      -5.225589      3.433795      3.782471
  H      -6.520757      6.008319      0.621624
  H     -10.682947      3.706616     -1.116359
  H      -9.509215      4.877614     -0.423531
  H     -11.087803      4.674673      0.337096
  H      -9.225063      5.537870      1.747416
  H      -8.176362      6.018587      3.969063
  H      -6.441349      1.437933      7.299379
  H      -8.911891      1.316425      2.533008
  N      -3.055716      2.010429      3.182462
  N      -3.383786      2.706520      2.033956
  H      -4.026572      2.117305      1.420379
  H      -2.522285      2.872829      1.492785
  H      -4.057448      3.855657      2.055328
91
Coordinates from ORCA-job orca E -6725.230313876669
  N      -1.935766     -0.062634      5.236656
  Mo     -3.273132      1.486937      4.872577
  N      -4.459676      1.344748      6.600311
  C      -3.942745      1.920974      7.844460
  C      -2.424304      1.866830      7.813578
  N      -1.848083      2.235161      6.469473
  C      -0.533036      1.527749      6.281445
  C      -0.759139      0.030967      6.079580
  C      -1.641356      3.707660      6.289854
  C      -2.956579      4.442274      6.072775
  N      -3.815368      3.617950      5.224430
  H       0.123276     -0.406293      5.586125
  H      -0.907084     -0.508490      7.028493
  H      -0.078040      1.947732      5.375068
  H       0.133187      1.735550      7.133556
  H      -3.471314      4.631086      7.028270
  H      -2.763082      5.422388      5.611984
  H      -1.088329      4.111392      7.153352
  H      -1.012207      3.819362      5.396161
  H      -4.294316      1.357531      8.725819
  H      -4.298031      2.956771      7.961316
  H      -2.107680      0.837319      8.019319
  H      -1.983138      2.517161      8.585109
  C      -6.826794      0.907617     -1.168883
  C      -6.011232      0.828075      0.086848
  O      -4.970316      1.496556      0.190976
  C      -6.468887     -0.058946      1.185702
  C      -7.754979     -0.633758      1.192108
  C      -8.158801     -1.441989      2.247561
  C      -7.271495     -1.701021      3.289155
  F      -7.689585     -2.483120      4.288391
  C      -5.972192     -1.157837      3.314490
  C      -4.986048     -1.522541      4.361912
  O      -5.016227     -2.572562      4.989124
  N      -3.908096     -0.614796      4.502933
  C      -2.804998     -1.046589      5.129403
  C      -5.603525     -0.331452      2.250300
  C      -8.641232      9.203482     -0.961453
  C      -8.047583      7.948122     -0.372598
  O      -8.304154      6.841264     -0.843084
  C      -7.094514      8.074268      0.774139
  C      -6.915648      9.271737      1.484996
  C      -6.060008      9.322739      2.582347
  C      -5.388603      8.169600      2.974331
  F      -4.554432      8.255501      4.026684
  C      -5.530364      6.953456      2.281866
  C      -4.915928      5.676043      2.708459
  O      -4.660961      4.819022      1.767994
  N      -4.694641      5.457269      3.998537
  C      -4.577640      4.156020      4.313518
  C      -6.378916      6.939163      1.170432
  C     -10.309151      4.131460     -0.183322
  C      -9.754797      3.028868      0.677392
  O      -9.779910      1.854130      0.307492
  C      -9.139714      3.386104      1.994325
  C      -8.933235      4.717115      2.393906
  C      -8.335020      5.000229      3.619029
  C      -7.926489      3.943054      4.423546
  F      -7.358549      4.230726      5.620682
  C      -8.102680      2.601932      4.059877
  C      -7.622898      1.462699      4.923347
  O      -8.367932      0.542361      5.245204
  N      -6.270559      1.530677      5.203524
  C      -5.790819      1.415707      6.407867
  C      -8.741763      2.347193      2.847939
  H      -7.814632      1.339531     -0.941167
  H      -6.316327      1.530688     -1.909774
  H      -7.004316     -0.097937     -1.577548
  H      -8.460655     -0.418063      0.391054
  H      -9.159302     -1.872169      2.286359
  H      -2.674282     -2.067318      5.515909
  H      -4.593012      0.072395      2.238037
  H      -9.293071      9.698531     -0.224594
  H      -7.855736      9.924982     -1.231390
  H      -9.231099      8.945165     -1.846803
  H      -7.451603     10.174342      1.191005
  H      -5.902778     10.244316      3.142837
  H      -5.210032      3.436146      3.774638
  H      -6.508979      6.012025      0.612513
  H     -10.715020      3.702528     -1.105363
  H      -9.533477      4.874332     -0.427843
  H     -11.104878      4.675147      0.349624
  H      -9.230389      5.539393      1.743373
  H      -8.172071      6.023323      3.958397
  H      -6.444628      1.440944      7.296669
  H      -8.922643      1.318312      2.539055
  N      -3.057859      2.003165      3.182115
  N      -3.380605      2.697596      2.031023
  H      -4.023973      2.108563      1.416058
  H      -2.517495      2.863619      1.492302
  H      -4.049477      3.841146      2.053908
91
Coordinates from ORCA-job orca E -6725.230201614744
  N      -1.899310     -0.030811      5.206637
  Mo     -3.262891      1.506530      4.861743
  N      -4.451493      1.329163      6.588424
  C      -3.940234      1.895442      7.839510
  C      -2.421960      1.859131      7.809620
  N      -1.849399      2.255754      6.472674
  C      -0.526179      1.571709      6.279587
  C      -0.730769      0.074948      6.060424
  C      -1.664226      3.733819      6.313514
  C      -2.986979      4.453355      6.099708
  N      -3.833372      3.629098      5.241527
  H       0.161959     -0.340886      5.567186
  H      -0.875855     -0.478811      7.001542
  H      -0.075844      2.009811      5.379506
  H       0.134843      1.778396      7.135993
  H      -3.505439      4.625458      7.056332
  H      -2.804555      5.441083      5.650739
  H      -1.122355      4.133692      7.185795
  H      -1.031681      3.867040      5.425345
  H      -4.285617      1.317849      8.714119
  H      -4.305413      2.926426      7.968939
  H      -2.092179      0.830438      7.999049
  H      -1.990386      2.502988      8.592019
  C      -6.911530      0.889468     -1.155992
  C      -6.071309      0.820571      0.083366
  O      -5.051199      1.521192      0.177625
  C      -6.489695     -0.084068      1.183209
  C      -7.760565     -0.691933      1.202214
  C      -8.131960     -1.511703      2.260041
  C      -7.227099     -1.748958      3.291549
  F      -7.614188     -2.544750      4.292544
  C      -5.940962     -1.174882      3.303269
  C      -4.936388     -1.523762      4.338662
  O      -4.959543     -2.562927      4.983854
  N      -3.867466     -0.602590      4.471852
  C      -2.764564     -1.019316      5.099592
  C      -5.604591     -0.338193      2.236138
  C      -8.424761      9.354481     -1.044412
  C      -7.853088      8.079371     -0.477173
  O      -8.128763      6.985004     -0.965366
  C      -6.966516      8.162843      0.725568
  C      -6.807520      9.341851      1.470968
  C      -6.006115      9.357361      2.609451
  C      -5.370047      8.186942      3.008334
  F      -4.584179      8.239329      4.099035
  C      -5.498024      6.986429      2.285944
  C      -4.913649      5.696319      2.713073
  O      -4.641640      4.848666      1.763681
  N      -4.717101      5.464258      4.002862
  C      -4.599129      4.162358      4.325064
  C      -6.292587      7.007192      1.135218
  C     -10.482912      4.001536     -0.124467
  C      -9.863288      2.920128      0.718459
  O      -9.869749      1.743372      0.354846
  C      -9.229371      3.297603      2.021169
  C      -9.049649      4.634289      2.414592
  C      -8.433762      4.935217      3.626746
  C      -7.983570      3.890740      4.425966
  F      -7.398109      4.196868      5.610189
  C      -8.135250      2.544668      4.069535
  C      -7.627654      1.416562      4.932335
  O      -8.351482      0.477548      5.248748
  N      -6.274660      1.505216      5.202153
  C      -5.784107      1.384471      6.401858
  C      -8.789481      2.271782      2.869395
  H      -7.904546      1.293186     -0.902830
  H      -6.432916      1.534417     -1.899585
  H      -7.070294     -0.115873     -1.572641
  H      -8.480333     -0.492502      0.409550
  H      -9.120641     -1.967370      2.309311
  H      -2.628966     -2.034509      5.498782
  H      -4.604811      0.090947      2.212669
  H      -9.095904      9.831442     -0.312564
  H      -7.628124     10.078914     -1.269371
  H      -8.989861      9.125687     -1.953672
  H      -7.313130     10.259217      1.168831
  H      -5.862047     10.265187      3.195317
  H      -5.221080      3.439156      3.778930
  H      -6.407950      6.094927      0.550811
  H     -10.902967      3.556751     -1.032551
  H      -9.742134      4.770313     -0.394334
  H     -11.279950      4.517708      0.433415
  H      -9.381873      5.447142      1.769234
  H      -8.291798      5.963032      3.961360
  H      -6.433148      1.389467      7.294554
  H      -8.954175      1.237816      2.568969
  N      -3.052289      2.047547      3.180039
  N      -3.386842      2.746355      2.037331
  H      -4.030667      2.155979      1.425165
  H      -2.528088      2.916739      1.493351
  H      -4.094508      3.934550      2.055405
91
Coordinates from ORCA-job orca E -6725.232075665225
  N      -1.917440     -0.060680      5.204239
  Mo     -3.279722      1.480985      4.865911
  N      -4.460972      1.330847      6.600967
  C      -3.930537      1.911767      7.837694
  C      -2.412694      1.864209      7.794375
  N      -1.847991      2.241061      6.447106
  C      -0.532137      1.545797      6.252988
  C      -0.747726      0.049865      6.056116
  C      -1.651332      3.714941      6.262358
  C      -2.964172      4.447555      6.048463
  N      -3.835051      3.616356      5.223009
  H       0.142651     -0.376363      5.567495
  H      -0.893513     -0.490331      7.004991
  H      -0.086568      1.969556      5.343704
  H       0.136462      1.759060      7.101879
  H      -3.464237      4.653832      7.008146
  H      -2.770504      5.421561      5.574307
  H      -1.097957      4.123246      7.123446
  H      -1.024248      3.826668      5.367547
  H      -4.272212      1.351835      8.725140
  H      -4.282881      2.948881      7.954807
  H      -2.085804      0.836586      7.993458
  H      -1.970991      2.515816      8.564774
  C      -6.912124      0.872389     -1.130295
  C      -6.085291      0.801747      0.119009
  O      -5.075727      1.515156      0.230824
  C      -6.509144     -0.108553      1.211395
  C      -7.776632     -0.723607      1.215115
  C      -8.158193     -1.540420      2.270960
  C      -7.266065     -1.771333      3.314958
  F      -7.668278     -2.557966      4.315503
  C      -5.979967     -1.195833      3.338883
  C      -4.983647     -1.538689      4.384517
  O      -5.018502     -2.566485      5.047513
  N      -3.901854     -0.628708      4.497748
  C      -2.789742     -1.043248      5.118601
  C      -5.634804     -0.359539      2.274071
  C      -8.577905      9.314643     -0.955274
  C      -7.965552      8.047429     -0.413928
  O      -8.247562      6.949175     -0.888910
  C      -7.061880      8.139155      0.775985
  C      -6.909032      9.317639      1.524041
  C      -6.089665      9.340361      2.649612
  C      -5.428095      8.179243      3.033219
  F      -4.627052      8.240709      4.112043
  C      -5.548508      6.980004      2.306831
  C      -4.938741      5.698872      2.717250
  O      -4.685588      4.856480      1.749727
  N      -4.724786      5.450162      3.995416
  C      -4.608825      4.145508      4.313083
  C      -6.364629      6.992497      1.170079
  C     -10.229842      4.064093     -0.241049
  C      -9.673527      2.979324      0.641495
  O      -9.694271      1.798900      0.291930
  C      -9.087338      3.359340      1.965835
  C      -8.886068      4.697932      2.343639
  C      -8.311720      5.004993      3.574883
  C      -7.923306      3.963674      4.409371
  F      -7.372374      4.276516      5.608066
  C      -8.097073      2.615828      4.069924
  C      -7.642465      1.489876      4.963300
  O      -8.390850      0.561699      5.254223
  N      -6.288592      1.534609      5.230525
  C      -5.793055      1.402867      6.426222
  C      -8.709356      2.337523      2.848868
  H      -7.913242      1.262907     -0.889177
  H      -6.427104      1.529737     -1.859158
  H      -7.055895     -0.129492     -1.560449
  H      -8.487154     -0.526364      0.414165
  H      -9.146470     -1.998041      2.310326
  H      -2.651083     -2.050858      5.535507
  H      -4.636641      0.073758      2.262480
  H      -9.230999      9.779616     -0.199465
  H      -7.799934     10.051357     -1.204272
  H      -9.170241      9.080004     -1.845453
  H      -7.433587     10.228555      1.235098
  H      -5.951378     10.247783      3.237529
  H      -5.252134      3.425216      3.787147
  H      -6.480890      6.080000      0.585184
  H     -10.619332      3.616041     -1.161150
  H      -9.462342      4.813647     -0.487714
  H     -11.039918      4.601540      0.276793
  H      -9.170117      5.509033      1.673385
  H      -8.157142      6.035885      3.896005
  H      -6.433521      1.432327      7.324999
  H      -8.884703      1.300024      2.563457
  N      -3.072643      2.005601      3.181085
  N      -3.419570      2.683763      2.034911
  H      -4.055160      2.077336      1.434632
  H      -2.565125      2.855878      1.484940
  H      -4.202074      3.936141      2.008170
91
Coordinates from ORCA-job orca E -6725.233513934127
  N      -1.922358     -0.096559      5.265770
  Mo     -3.255826      1.451884      4.871703
  N      -4.481377      1.339704      6.583934
  C      -3.971653      1.931488      7.825165
  C      -2.452750      1.874341      7.810221
  N      -1.856297      2.225104      6.467893
  C      -0.542742      1.512004      6.312025
  C      -0.768533      0.014281      6.137370
  C      -1.639614      3.691973      6.259144
  C      -2.939474      4.436834      6.000259
  N      -3.801871      3.602263      5.166942
  H       0.126144     -0.428958      5.671907
  H      -0.935948     -0.506374      7.093298
  H      -0.074008      1.914542      5.404575
  H       0.111046      1.733083      7.170748
  H      -3.462622      4.664668      6.942315
  H      -2.719310      5.401095      5.517030
  H      -1.100149      4.113723      7.122873
  H      -0.992341      3.777575      5.375751
  H      -4.334039      1.383098      8.711619
  H      -4.319964      2.971632      7.927937
  H      -2.136960      0.848485      8.028368
  H      -2.019029      2.532048      8.580341
  C      -6.775597      0.869672     -1.173044
  C      -5.966563      0.774506      0.087407
  O      -4.929299      1.446518      0.199081
  C      -6.433533     -0.103820      1.188081
  C      -7.720347     -0.675265      1.185784
  C      -8.142715     -1.465092      2.247105
  C      -7.272345     -1.713914      3.304827
  F      -7.717420     -2.465809      4.313166
  C      -5.967482     -1.179924      3.336996
  C      -4.996114     -1.537641      4.400768
  O      -5.063061     -2.562316      5.067148
  N      -3.897659     -0.651834      4.525951
  C      -2.801673     -1.076163      5.173776
  C      -5.581354     -0.369373      2.266267
  C      -8.733671      9.180851     -0.905973
  C      -8.078798      7.936605     -0.360478
  O      -8.320843      6.828133     -0.831494
  C      -7.126779      8.071751      0.788873
  C      -6.978784      9.261893      1.521295
  C      -6.124756      9.313606      2.619679
  C      -5.420769      8.173273      2.991274
  F      -4.595968      8.265646      4.050222
  C      -5.527002      6.967728      2.273355
  C      -4.879354      5.704253      2.669781
  O      -4.644941      4.877022      1.672183
  N      -4.659329      5.433899      3.936101
  C      -4.549820      4.126520      4.242802
  C      -6.381395      6.951248      1.163323
  C     -10.336944      4.240967     -0.159575
  C      -9.808591      3.110465      0.684389
  O      -9.910527      1.940492      0.315862
  C      -9.139744      3.436602      1.981891
  C      -8.863505      4.759754      2.364733
  C      -8.229415      5.028105      3.574928
  C      -7.856708      3.961222      4.383117
  F      -7.251179      4.235049      5.565304
  C      -8.089861      2.626274      4.032182
  C      -7.635448      1.477215      4.894442
  O      -8.401186      0.574491      5.220499
  N      -6.283700      1.523593      5.174518
  C      -5.808401      1.411809      6.382229
  C      -8.760709      2.386370      2.832914
  H      -7.765337      1.303605     -0.952354
  H      -6.246079      1.503699     -1.892715
  H      -6.958736     -0.125531     -1.604194
  H      -8.413597     -0.464987      0.373731
  H      -9.146477     -1.888328      2.279844
  H      -2.686799     -2.081009      5.604769
  H      -4.569794      0.031874      2.263546
  H      -9.384186      9.638161     -0.143770
  H      -7.981915      9.935766     -1.181397
  H      -9.337002      8.918185     -1.780916
  H      -7.538794     10.155595      1.246249
  H      -5.995216     10.227703      3.199161
  H      -5.193259      3.408977      3.713261
  H      -6.500772      6.028791      0.593238
  H     -10.795372      3.831663     -1.065805
  H      -9.535041      4.942786     -0.436631
  H     -11.086145      4.817855      0.404764
  H      -9.143903      5.593303      1.720515
  H      -8.020789      6.047348      3.898143
  H      -6.466019      1.459942      7.267651
  H      -8.986220      1.358170      2.546712
  N      -2.991809      1.949450      3.190283
  N      -3.288011      2.625596      2.040210
  H      -3.945106      2.053757      1.442009
  H      -2.422621      2.754446      1.496123
  H      -4.053634      3.989270      1.975801
91
Coordinates from ORCA-job orca E -6725.235196844559
  N      -1.900575     -0.084591      5.246474
  Mo     -3.251653      1.455508      4.862721
  N      -4.472807      1.330758      6.583637
  C      -3.962005      1.921966      7.824652
  C      -2.442833      1.878520      7.801076
  N      -1.855125      2.239082      6.457362
  C      -0.535909      1.538775      6.294450
  C      -0.747143      0.038762      6.116799
  C      -1.654896      3.708257      6.251980
  C      -2.962575      4.440831      5.994943
  N      -3.818983      3.604764      5.158464
  H       0.151740     -0.392107      5.647531
  H      -0.906108     -0.486783      7.071381
  H      -0.074699      1.948119      5.386297
  H       0.119649      1.763089      7.151158
  H      -3.490143      4.655757      6.937955
  H      -2.751208      5.410558      5.519318
  H      -1.120971      4.134899      7.116799
  H      -1.008672      3.803235      5.368843
  H      -4.314256      1.367314      8.711343
  H      -4.318173      2.959143      7.934802
  H      -2.116629      0.854427      8.012442
  H      -2.010349      2.536454      8.571654
  C      -6.797387      0.872472     -1.143793
  C      -6.000658      0.798684      0.126188
  O      -4.976716      1.488438      0.244789
  C      -6.447383     -0.103637      1.216139
  C      -7.721759     -0.702566      1.210667
  C      -8.124571     -1.512974      2.264585
  C      -7.246225     -1.753938      3.317794
  F      -7.670031     -2.530104      4.317901
  C      -5.952922     -1.193134      3.351144
  C      -4.971906     -1.542887      4.407965
  O      -5.027915     -2.567814      5.074914
  N      -3.876495     -0.652889      4.520417
  C      -2.779465     -1.067342      5.163190
  C      -5.586989     -0.363363      2.288569
  C      -8.564171      9.346009     -0.967771
  C      -7.978431      8.074057     -0.408383
  O      -8.218172      6.981972     -0.916211
  C      -7.050775      8.167095      0.765907
  C      -6.880387      9.344731      1.513421
  C      -6.051312      9.357652      2.631713
  C      -5.393071      8.191668      3.006605
  F      -4.590621      8.244417      4.084963
  C      -5.521981      6.997448      2.273991
  C      -4.916935      5.716634      2.675160
  O      -4.681729      4.892692      1.662488
  N      -4.695079      5.432719      3.931133
  C      -4.576695      4.121767      4.238783
  C      -6.352132      7.018781      1.145171
  C     -10.445271      4.113822     -0.135319
  C      -9.873072      2.999601      0.703021
  O      -9.932173      1.828831      0.328536
  C      -9.208665      3.343836      1.998130
  C      -8.977094      4.673421      2.387914
  C      -8.340791      4.956484      3.593833
  C      -7.921108      3.897852      4.390122
  F      -7.309513      4.187403      5.565615
  C      -8.116764      2.557431      4.036152
  C      -7.627939      1.416797      4.893507
  O      -8.375540      0.502475      5.230026
  N      -6.277781      1.494998      5.174896
  C      -5.799830      1.392220      6.384512
  C      -8.790239      2.302949      2.840997
  H      -7.800892      1.276372     -0.932800
  H      -6.278289      1.526057     -1.853266
  H      -6.947018     -0.125112     -1.582265
  H      -8.421150     -0.500841      0.401101
  H      -9.118173     -1.959682      2.294603
  H      -2.662914     -2.065875      5.608338
  H      -4.584759      0.060687      2.287364
  H      -9.229710      9.819425     -0.229064
  H      -7.775098     10.076060     -1.203566
  H      -9.138375      9.113155     -1.870363
  H      -7.403119     10.259408      1.234054
  H      -5.905405     10.261183      3.223700
  H      -5.219002      3.402166      3.712624
  H      -6.491308      6.107178      0.563066
  H     -10.892138      3.691241     -1.041148
  H      -9.669616      4.843594     -0.414025
  H     -11.212612      4.661469      0.433631
  H      -9.293018      5.500756      1.752473
  H      -8.166496      5.980725      3.923280
  H      -6.458482      1.429172      7.269661
  H      -8.985683      1.270334      2.551436
  N      -2.996661      1.959615      3.184081
  N      -3.304236      2.633284      2.042105
  H      -3.977719      2.070164      1.460647
  H      -2.448055      2.753620      1.482088
  H      -4.133652      4.102806      1.937884
91
Coordinates from ORCA-job orca E -6725.234769097172
  N      -1.895459     -0.085652      5.235020
  Mo     -3.243113      1.453375      4.859911
  N      -4.450158      1.331035      6.590337
  C      -3.933669      1.911210      7.832488
  C      -2.414432      1.865558      7.798301
  N      -1.836593      2.231484      6.452369
  C      -0.516859      1.531143      6.272783
  C      -0.727335      0.030565      6.084942
  C      -1.642424      3.702116      6.255538
  C      -2.955517      4.430656      6.004289
  N      -3.806046      3.601467      5.154354
  H       0.164295     -0.396783      5.598702
  H      -0.870658     -0.502399      7.037973
  H      -0.064550      1.947009      5.363402
  H       0.147201      1.749620      7.124400
  H      -3.489322      4.630075      6.947625
  H      -2.747711      5.406977      5.541626
  H      -1.109017      4.125920      7.121993
  H      -0.998428      3.807483      5.371963
  H      -4.281130      1.350442      8.717288
  H      -4.288024      2.948147      7.951895
  H      -2.087920      0.839733      8.004767
  H      -1.975781      2.520319      8.567819
  C      -6.987069      0.849279     -1.094778
  C      -6.127128      0.759972      0.130829
  O      -5.074371      1.413937      0.178487
  C      -6.541322     -0.114007      1.255201
  C      -7.827929     -0.683272      1.315398
  C      -8.198422     -1.476550      2.393426
  C      -7.278281     -1.725146      3.408757
  F      -7.669316     -2.486617      4.433166
  C      -5.975684     -1.186623      3.381991
  C      -4.961137     -1.546111      4.405838
  O      -5.006956     -2.574216      5.069085
  N      -3.870213     -0.653094      4.519431
  C      -2.766736     -1.073741      5.148974
  C      -5.639749     -0.377253      2.293924
  C      -8.558906      9.369421     -0.972284
  C      -7.974127      8.096075     -0.415367
  O      -8.186703      7.008898     -0.945780
  C      -7.080454      8.183408      0.785429
  C      -6.947923      9.352369      1.554344
  C      -6.148304      9.360299      2.693666
  C      -5.482062      8.198224      3.067975
  F      -4.708120      8.245492      4.167334
  C      -5.574346      7.013831      2.316160
  C      -4.956911      5.736510      2.711357
  O      -4.690779      4.932664      1.691602
  N      -4.716965      5.442304      3.963566
  C      -4.569854      4.128022      4.246416
  C      -6.375464      7.039415      1.166486
  C     -10.221651      4.080616     -0.278095
  C      -9.634645      2.985440      0.575700
  O      -9.590531      1.821833      0.176614
  C      -9.079838      3.340404      1.918754
  C      -8.945992      4.671993      2.347718
  C      -8.389330      4.962827      3.591548
  C      -7.948648      3.910131      4.384458
  F      -7.407392      4.209047      5.590924
  C      -8.066254      2.567545      4.000653
  C      -7.579776      1.430261      4.864876
  O      -8.311080      0.484373      5.145040
  N      -6.236082      1.520053      5.171023
  C      -5.774917      1.399555      6.386038
  C      -8.662976      2.305583      2.767496
  H      -7.967073      1.273875     -0.834607
  H      -6.490820      1.493238     -1.828687
  H      -7.181202     -0.144853     -1.523532
  H      -8.558401     -0.476981      0.533695
  H      -9.197715     -1.904293      2.471567
  H      -2.640364     -2.080858      5.570928
  H      -4.629927      0.024609      2.244841
  H      -9.253235      9.821775     -0.246951
  H      -7.772991     10.113282     -1.171534
  H      -9.102318      9.144322     -1.895760
  H      -7.475921     10.263837      1.273957
  H      -6.030173     10.256460      3.302901
  H      -5.206817      3.409822      3.713211
  H      -6.481910      6.134523      0.565450
  H     -10.585226      3.649604     -1.216632
  H      -9.473354      4.858196     -0.496941
  H     -11.053290      4.572569      0.249572
  H      -9.267995      5.494804      1.709998
  H      -8.289526      5.988995      3.951970
  H      -6.443274      1.424611      7.264076
  H      -8.789140      1.270582      2.451067
  N      -2.999885      1.956101      3.179788
  N      -3.314849      2.638183      2.046866
  H      -4.012028      2.092024      1.463797
  H      -2.468182      2.776976      1.476388
  H      -4.152985      4.094349      1.988511
91
Coordinates from ORCA-job orca E -6725.234200554525
  N      -1.917322     -0.127822      5.279814
  Mo     -3.228304      1.434755      4.869757
  N      -4.458702      1.350424      6.594826
  C      -3.942697      1.913849      7.843254
  C      -2.426655      1.837463      7.825799
  N      -1.830889      2.193835      6.488669
  C      -0.522802      1.472001      6.329708
  C      -0.758961     -0.026589      6.144766
  C      -1.615070      3.662153      6.294218
  C      -2.914258      4.405929      6.015085
  N      -3.754526      3.594191      5.138539
  H       0.131384     -0.470069      5.671378
  H      -0.924051     -0.554494      7.097541
  H      -0.051736      1.877334      5.425322
  H       0.133400      1.681701      7.189303
  H      -3.469601      4.601834      6.946669
  H      -2.686437      5.382870      5.564893
  H      -1.095619      4.080997      7.171188
  H      -0.952894      3.761733      5.423453
  H      -4.309832      1.357364      8.722827
  H      -4.277609      2.957237      7.963437
  H      -2.123173      0.803686      8.033461
  H      -1.983043      2.481970      8.600719
  C      -6.823436      0.845375     -1.177123
  C      -5.985223      0.740649      0.060414
  O      -4.929047      1.387031      0.134860
  C      -6.439586     -0.127486      1.173201
  C      -7.730655     -0.690001      1.190565
  C      -8.144896     -1.469599      2.262139
  C      -7.264123     -1.709141      3.313940
  F      -7.698284     -2.453013      4.334314
  C      -5.957457     -1.181826      3.328219
  C      -4.982932     -1.539316      4.391994
  O      -5.064352     -2.560681      5.062359
  N      -3.883094     -0.662065      4.529574
  C      -2.807050     -1.098631      5.184720
  C      -5.576284     -0.388513      2.243801
  C      -8.711295      9.206238     -0.949513
  C      -8.022202      7.969589     -0.430828
  O      -8.206643      6.869853     -0.946811
  C      -7.129511      8.097618      0.767286
  C      -7.064881      9.262780      1.549611
  C      -6.266658      9.303911      2.689278
  C      -5.536867      8.176181      3.050944
  F      -4.769984      8.248531      4.153664
  C      -5.557245      6.999353      2.283050
  C      -4.872618      5.753118      2.671896
  O      -4.539367      4.976477      1.648033
  N      -4.652682      5.448947      3.928173
  C      -4.500328      4.130857      4.212935
  C      -6.357981      6.992373      1.134112
  C     -10.366141      4.196284     -0.176480
  C      -9.830144      3.092386      0.699595
  O      -9.941651      1.909846      0.376303
  C      -9.157475      3.459704      1.983781
  C      -8.899760      4.793556      2.337995
  C      -8.256782      5.095390      3.535357
  C      -7.849923      4.050352      4.356630
  F      -7.242259      4.363527      5.528492
  C      -8.073151      2.704293      4.037345
  C      -7.616853      1.573176      4.926447
  O      -8.389464      0.678661      5.258707
  N      -6.259808      1.592840      5.185686
  C      -5.782204      1.454660      6.392905
  C      -8.761550      2.434955      2.854199
  H      -7.798253      1.289672     -0.924666
  H      -6.309649      1.479388     -1.906761
  H      -7.028238     -0.146409     -1.606372
  H      -8.431712     -0.487293      0.380858
  H      -9.149546     -1.889041      2.309589
  H      -2.710969     -2.105879      5.613119
  H      -4.562880      0.006965      2.226394
  H      -9.408274      9.604184     -0.194597
  H      -7.984165     10.002311     -1.166293
  H      -9.271074      8.955009     -1.856346
  H      -7.646400     10.144667      1.279743
  H      -6.200307     10.197382      3.310298
  H      -5.132389      3.417073      3.669299
  H      -6.411993      6.091926      0.524099
  H     -10.840690      3.756605     -1.059818
  H      -9.557152      4.874263     -0.493181
  H     -11.100081      4.805667      0.372848
  H      -9.199895      5.608264      1.679771
  H      -8.067188      6.123612      3.839562
  H      -6.442096      1.504959      7.275937
  H      -8.979851      1.400009      2.594510
  N      -2.945296      1.916008      3.188723
  N      -3.217755      2.578692      2.033008
  H      -3.897500      2.025586      1.430643
  H      -2.352721      2.720036      1.492236
  H      -4.078281      4.024157      1.908102
91
Coordinates from ORCA-job orca E -6725.235947660479
  N      -1.924299     -0.105300      5.283814
  Mo     -3.247866      1.440237      4.861826
  N      -4.475775      1.357389      6.592977
  C      -3.960601      1.933149      7.837860
  C      -2.442797      1.875857      7.811096
  N      -1.856528      2.225624      6.466293
  C      -0.539776      1.515266      6.306869
  C      -0.759802      0.012915      6.137656
  C      -1.653526      3.692294      6.254567
  C      -2.959993      4.422309      5.970913
  N      -3.793728      3.595139      5.100140
  H       0.131071     -0.426126      5.660689
  H      -0.910680     -0.506053      7.097240
  H      -0.076292      1.915895      5.396016
  H       0.118288      1.740245      7.161403
  H      -3.518331      4.619355      6.899874
  H      -2.739665      5.398738      5.513993
  H      -1.134301      4.127744      7.123771
  H      -0.995497      3.785020      5.379750
  H      -4.315228      1.373910      8.720898
  H      -4.310470      2.971188      7.959634
  H      -2.127662      0.848362      8.024260
  H      -1.999528      2.530242      8.578454
  C      -6.758297      0.864938     -1.152105
  C      -5.982939      0.812053      0.133995
  O      -4.989059      1.539798      0.285380
  C      -6.431910     -0.102910      1.211907
  C      -7.691317     -0.730992      1.176274
  C      -8.099226     -1.554331      2.218388
  C      -7.237406     -1.780523      3.287970
  F      -7.662049     -2.573099      4.275257
  C      -5.955196     -1.197459      3.346757
  C      -4.982177     -1.548757      4.411298
  O      -5.028526     -2.593885      5.048066
  N      -3.890233     -0.661347      4.543279
  C      -2.801409     -1.088936      5.192959
  C      -5.586181     -0.352339      2.298232
  C      -8.621726      9.381031     -0.902835
  C      -7.994176      8.109312     -0.390059
  O      -8.269804      7.017125     -0.879005
  C      -7.046908      8.196163      0.770111
  C      -6.870826      9.366290      1.528067
  C      -6.028601      9.369099      2.636275
  C      -5.367542      8.198409      2.992229
  F      -4.559209      8.235204      4.066996
  C      -5.498562      7.013138      2.246426
  C      -4.887573      5.731088      2.637013
  O      -4.671030      4.902754      1.613142
  N      -4.663989      5.435705      3.889353
  C      -4.537660      4.120513      4.179256
  C      -6.339849      7.046262      1.126978
  C     -10.466623      4.051150     -0.150850
  C      -9.929378      2.954144      0.733576
  O     -10.041253      1.770332      0.416777
  C      -9.244444      3.332779      2.007294
  C      -8.987410      4.671270      2.342357
  C      -8.342797      4.990281      3.533632
  C      -7.932708      3.957893      4.368738
  F      -7.326925      4.283965      5.538774
  C      -8.142325      2.608273      4.063350
  C      -7.656789      1.499976      4.962782
  O      -8.412151      0.604754      5.332017
  N      -6.295256      1.548794      5.194102
  C      -5.801600      1.438541      6.398460
  C      -8.833504      2.318703      2.886124
  H      -7.783720      1.231226     -0.961083
  H      -6.249615      1.537122     -1.850034
  H      -6.861966     -0.135709     -1.596614
  H      -8.378651     -0.541335      0.353106
  H      -9.083597     -2.021826      2.226357
  H      -2.691499     -2.095695      5.620110
  H      -4.591995      0.090742      2.316871
  H      -9.256866      9.838929     -0.127881
  H      -7.852899     10.122404     -1.166927
  H      -9.234991      9.152600     -1.780575
  H      -7.399525     10.282296      1.264298
  H      -5.877251     10.265428      3.237789
  H      -5.169650      3.405982      3.634968
  H      -6.480104      6.144841      0.534608
  H     -10.949303      3.605667     -1.026807
  H      -9.657949      4.722664     -0.480903
  H     -11.194330      4.667560      0.398857
  H      -9.295490      5.478227      1.677655
  H      -8.156513      6.021412      3.822240
  H      -6.455230      1.491009      7.286197
  H      -9.045368      1.279020      2.637548
  N      -2.967055      1.916788      3.178918
  N      -3.235848      2.593436      2.035078
  H      -3.930798      2.072991      1.446105
  H      -2.375751      2.707519      1.481726
  H      -4.070102      4.136549      1.926760
91
Coordinates from ORCA-job orca E -6725.234499742804
  N      -1.890407     -0.102775      5.279677
  Mo     -3.227155      1.431506      4.860474
  N      -4.468846      1.327147      6.577332
  C      -3.969691      1.891098      7.833686
  C      -2.449646      1.845899      7.818429
  N      -1.855550      2.217373      6.481594
  C      -0.528720      1.525303      6.320183
  C      -0.726571      0.022794      6.132973
  C      -1.671431      3.689275      6.288440
  C      -2.982744      4.404708      5.998204
  N      -3.790842      3.579263      5.103951
  H       0.171177     -0.397389      5.651653
  H      -0.869048     -0.509556      7.086358
  H      -0.067152      1.942575      5.415926
  H       0.122855      1.748904      7.180041
  H      -3.556239      4.580287      6.922448
  H      -2.769282      5.391501      5.560178
  H      -1.169754      4.121764      7.169340
  H      -1.003378      3.802302      5.423918
  H      -4.327091      1.318255      8.706941
  H      -4.326805      2.925731      7.964846
  H      -2.126398      0.819247      8.024412
  H      -2.019323      2.497009      8.596000
  C      -6.886937      0.831988     -1.137376
  C      -6.036606      0.748599      0.097513
  O      -4.980801      1.397153      0.156505
  C      -6.477710     -0.104310      1.228440
  C      -7.773776     -0.651960      1.281215
  C      -8.169186     -1.426598      2.363962
  C      -7.261451     -1.685421      3.387310
  F      -7.678368     -2.423353      4.418711
  C      -5.946235     -1.177995      3.362757
  C      -4.939382     -1.562399      4.385508
  O      -5.003636     -2.595242      5.040966
  N      -3.850035     -0.672687      4.527392
  C      -2.752253     -1.095449      5.173813
  C      -5.588927     -0.376944      2.275365
  C      -8.670049      9.216348     -0.983826
  C      -8.009625      7.972191     -0.445894
  O      -8.205150      6.871817     -0.954608
  C      -7.112370      8.097244      0.749990
  C      -7.030056      9.266585      1.525187
  C      -6.232564      9.302603      2.665709
  C      -5.521868      8.166522      3.037002
  F      -4.757265      8.237941      4.141278
  C      -5.560375      6.983746      2.275895
  C      -4.898849      5.732005      2.674565
  O      -4.611396      4.924571      1.651109
  N      -4.689438      5.426338      3.924191
  C      -4.534771      4.108665      4.188064
  C      -6.357498      6.983559      1.123505
  C     -10.301534      4.300704     -0.166743
  C      -9.782472      3.151457      0.660878
  O      -9.883743      1.989499      0.268955
  C      -9.125639      3.451347      1.970419
  C      -8.879455      4.768156      2.394297
  C      -8.252222      5.013785      3.612846
  C      -7.851569      3.930586      4.385049
  F      -7.250193      4.182961      5.574132
  C      -8.059429      2.601982      3.995940
  C      -7.584495      1.441624      4.833293
  O      -8.347311      0.540217      5.171756
  N      -6.238163      1.514339      5.131971
  C      -5.788806      1.397889      6.353283
  C      -8.728825      2.384673      2.791238
  H      -7.864316      1.278330     -0.893640
  H      -6.374485      1.449952     -1.881552
  H      -7.093141     -0.166695     -1.549352
  H      -8.493392     -0.439300      0.492188
  H      -9.178143     -1.831615      2.439169
  H      -2.627836     -2.106538      5.586357
  H      -4.571277      0.005649      2.229695
  H      -9.360735      9.639828     -0.237917
  H      -7.923783      9.993477     -1.208112
  H      -9.230750      8.965589     -1.890127
  H      -7.597235     10.155617      1.249727
  H      -6.153452     10.199128      3.280587
  H      -5.151479      3.393914      3.626334
  H      -6.423864      6.081479      0.514580
  H     -10.766487      3.907689     -1.076831
  H      -9.487933      4.990745     -0.439702
  H     -11.040639      4.882806      0.404545
  H      -9.176831      5.614840      1.775685
  H      -8.071095      6.028175      3.968707
  H      -6.469951      1.432847      7.221440
  H      -8.931675      1.360306      2.476946
  N      -2.939900      1.915873      3.181709
  N      -3.207815      2.587790      2.038020
  H      -3.886119      2.050690      1.437813
  H      -2.342737      2.731385      1.499188
  H      -4.128053      4.139484      1.893081
91
Coordinates from ORCA-job orca E -6725.236257674795
  N      -1.906486     -0.110687      5.278510
  Mo     -3.236924      1.432493      4.860193
  N      -4.448213      1.345594      6.601964
  C      -3.933368      1.886355      7.859953
  C      -2.414763      1.831740      7.820860
  N      -1.841679      2.210780      6.478905
  C      -0.521814      1.517920      6.297944
  C      -0.728994      0.014276      6.112421
  C      -1.661932      3.684679      6.290620
  C      -2.976713      4.395785      6.010154
  N      -3.780579      3.582230      5.102453
  H       0.159053     -0.406034      5.614415
  H      -0.857363     -0.520717      7.066809
  H      -0.073353      1.936122      5.387841
  H       0.143069      1.738588      7.148069
  H      -3.551969      4.546555      6.937648
  H      -2.774424      5.391061      5.588978
  H      -1.158085      4.115812      7.170613
  H      -1.000572      3.805424      5.421847
  H      -4.281587      1.301370      8.728820
  H      -4.284497      2.920358      8.012626
  H      -2.097307      0.799134      8.010655
  H      -1.966812      2.471012      8.597700
  C      -6.925261      0.835933     -1.092817
  C      -6.104915      0.798635      0.161069
  O      -5.079159      1.490173      0.237934
  C      -6.528444     -0.083475      1.277068
  C      -7.813363     -0.658697      1.319217
  C      -8.195557     -1.451625      2.393625
  C      -7.283809     -1.701234      3.416119
  F      -7.685575     -2.459498      4.440712
  C      -5.979573     -1.168961      3.400387
  C      -4.968176     -1.550971      4.420836
  O      -5.028792     -2.587835      5.069913
  N      -3.873424     -0.667836      4.549856
  C      -2.779625     -1.095517      5.184280
  C      -5.636235     -0.349660      2.322658
  C      -8.692691      9.316629     -0.930415
  C      -8.054972      8.055707     -0.405048
  O      -8.259587      6.966008     -0.934100
  C      -7.139050      8.155174      0.777815
  C      -7.021474      9.318759      1.555666
  C      -6.206909      9.335237      2.684609
  C      -5.512703      8.183584      3.038540
  F      -4.726406      8.230002      4.128613
  C      -5.585537      7.006153      2.273088
  C      -4.937151      5.741719      2.659325
  O      -4.617546      4.962605      1.630880
  N      -4.709397      5.434521      3.911809
  C      -4.539660      4.114516      4.185234
  C      -6.401454      7.023249      1.135385
  C     -10.202505      4.174514     -0.278536
  C      -9.661624      3.060779      0.581673
  O      -9.698063      1.889136      0.205678
  C      -9.059047      3.406142      1.907155
  C      -8.883335      4.734816      2.331157
  C      -8.293375      5.011856      3.562455
  C      -7.861770      3.948575      4.346742
  F      -7.291689      4.233308      5.543464
  C      -8.015880      2.609114      3.964423
  C      -7.541667      1.465787      4.829016
  O      -8.301619      0.560138      5.162053
  N      -6.201005      1.547815      5.151098
  C      -5.766647      1.428934      6.378731
  C      -8.645926      2.361824      2.745712
  H      -7.923262      1.232032     -0.867986
  H      -6.435070      1.479478     -1.830649
  H      -7.069504     -0.174892     -1.501959
  H      -8.536617     -0.454767      0.530258
  H      -9.196422     -1.877006      2.462977
  H      -2.665745     -2.107120      5.597270
  H      -4.627433      0.055601      2.283094
  H      -9.372093      9.743945     -0.176794
  H      -7.934152     10.082825     -1.150473
  H      -9.261523      9.084743     -1.836764
  H      -7.573980     10.220103      1.289833
  H      -6.099102     10.227530      3.301353
  H      -5.156135      3.396559      3.629379
  H      -6.498064      6.121969      0.528437
  H     -10.619749      3.749884     -1.197549
  H      -9.407561      4.893246     -0.533181
  H     -10.982779      4.737802      0.255199
  H      -9.198667      5.562962      1.697002
  H      -8.160297      6.035635      3.922450
  H      -6.454678      1.461601      7.241388
  H      -8.805644      1.331512      2.429001
  N      -2.979049      1.893190      3.167481
  N      -3.250913      2.546857      2.010189
  H      -3.952751      2.007469      1.421434
  H      -2.390810      2.685027      1.461895
  H      -4.147690      4.046341      1.870742
91
Coordinates from ORCA-job orca E -6725.236433559572
  N      -1.922050     -0.117187      5.287326
  Mo     -3.243094      1.426304      4.862723
  N      -4.457827      1.356041      6.608866
  C      -3.930014      1.898447      7.861579
  C      -2.413295      1.839013      7.816240
  N      -1.846131      2.208172      6.469906
  C      -0.527508      1.507527      6.291174
  C      -0.742479      0.003529      6.118469
  C      -1.660679      3.679403      6.270037
  C      -2.974289      4.396955      5.984966
  N      -3.784111      3.578777      5.083352
  H       0.141937     -0.427759      5.622989
  H      -0.872188     -0.521340      7.078146
  H      -0.077753      1.915447      5.376877
  H       0.139496      1.731827      7.138853
  H      -3.549390      4.562046      6.909884
  H      -2.762963      5.386759      5.554326
  H      -1.151630      4.115613      7.144802
  H      -1.000214      3.788966      5.398996
  H      -4.277006      1.319836      8.735172
  H      -4.275216      2.934366      8.011872
  H      -2.097368      0.807463      8.010718
  H      -1.959324      2.481636      8.587076
  C      -6.875444      0.816871     -1.140604
  C      -6.052615      0.751960      0.112621
  O      -5.045744      1.468137      0.219598
  C      -6.472956     -0.155145      1.208789
  C      -7.738388     -0.772380      1.211723
  C      -8.127916     -1.577640      2.274074
  C      -7.243312     -1.794128      3.327036
  F      -7.655604     -2.559776      4.340792
  C      -5.956051     -1.220668      3.350372
  C      -4.968222     -1.568646      4.404920
  O      -5.010196     -2.615389      5.039734
  N      -3.884881     -0.674098      4.548941
  C      -2.791217     -1.105039      5.190601
  C      -5.603022     -0.396689      2.279120
  C      -8.626268      9.374425     -0.929424
  C      -7.987157      8.107341     -0.420372
  O      -8.196899      7.023301     -0.958043
  C      -7.090311      8.190148      0.778821
  C      -6.984361      9.343519      1.574126
  C      -6.184523      9.345107      2.713465
  C      -5.493609      8.189490      3.061195
  F      -4.722514      8.224177      4.162693
  C      -5.556041      7.021772      2.279832
  C      -4.909190      5.754175      2.654494
  O      -4.616068      4.981736      1.606688
  N      -4.692402      5.431359      3.903447
  C      -4.533469      4.110930      4.168080
  C      -6.358723      7.053700      1.132130
  C     -10.331683      4.061909     -0.228676
  C      -9.795774      2.988221      0.683880
  O      -9.874072      1.797729      0.380560
  C      -9.150118      3.395597      1.970257
  C      -8.921454      4.740920      2.301986
  C      -8.300839      5.077133      3.502601
  C      -7.889200      4.055111      4.350318
  F      -7.299185      4.400106      5.522231
  C      -8.085951      2.699671      4.055509
  C      -7.627212      1.598866      4.980025
  O      -8.394785      0.704321      5.325012
  N      -6.266031      1.614061      5.212683
  C      -5.780588      1.463403      6.416859
  C      -8.748925      2.395324      2.866890
  H      -7.887331      1.184582     -0.906915
  H      -6.394986      1.496194     -1.852126
  H      -6.998934     -0.180952     -1.586708
  H      -8.444644     -0.586875      0.403106
  H      -9.116792     -2.033774      2.313319
  H      -2.673382     -2.119694      5.595626
  H      -4.607561      0.042671      2.271951
  H      -9.310428      9.791223     -0.173373
  H      -7.868043     10.144450     -1.135496
  H      -9.190338      9.154122     -1.841580
  H      -7.533428     10.248382      1.313101
  H      -6.085779     10.229275      3.343287
  H      -5.150636      3.396271      3.608059
  H      -6.447492      6.161375      0.511632
  H     -10.787018      3.593964     -1.107650
  H      -9.526150      4.740727     -0.550856
  H     -11.081034      4.677101      0.292329
  H      -9.225466      5.537597      1.623446
  H      -8.132845      6.114434      3.790449
  H      -6.436412      1.515589      7.302889
  H      -8.946863      1.352411      2.623034
  N      -2.966915      1.894803      3.176478
  N      -3.238896      2.580330      2.045541
  H      -3.974331      2.094520      1.463663
  H      -2.389811      2.708171      1.478850
  H      -4.104068      4.148749      1.985709
91
Coordinates from ORCA-job orca E -6725.236276202951
  N      -1.913976     -0.090963      5.297279
  Mo     -3.239378      1.444438      4.853374
  N      -4.471710      1.371906      6.589068
  C      -3.956658      1.902632      7.852263
  C      -2.438366      1.848274      7.819981
  N      -1.858774      2.229064      6.482332
  C      -0.532789      1.540288      6.309092
  C      -0.732388      0.035361      6.124461
  C      -1.681379      3.702090      6.297022
  C      -2.997715      4.408698      5.996387
  N      -3.778509      3.593279      5.068099
  H       0.154721     -0.382937      5.622187
  H      -0.852945     -0.498522      7.079963
  H      -0.078500      1.957368      5.401006
  H       0.126613      1.763978      7.163155
  H      -3.593837      4.553358      6.911248
  H      -2.790301      5.407755      5.584221
  H      -1.190795      4.136032      7.183583
  H      -1.007049      3.823728      5.438348
  H      -4.307997      1.311527      8.715799
  H      -4.307832      2.934883      8.012910
  H      -2.121258      0.817133      8.010385
  H      -1.993928      2.486469      8.600493
  C      -6.837476      0.850809     -1.130606
  C      -6.029003      0.798718      0.134789
  O      -5.032985      1.528455      0.261290
  C      -6.449442     -0.120748      1.220148
  C      -7.707954     -0.751889      1.208906
  C      -8.093886     -1.577212      2.257547
  C      -7.211838     -1.800345      3.311059
  F      -7.616805     -2.591742      4.308199
  C      -5.930901     -1.213189      3.346457
  C      -4.940983     -1.565728      4.395172
  O      -4.963762     -2.627398      5.006192
  N      -3.867866     -0.662192      4.548763
  C      -2.774026     -1.087299      5.189561
  C      -5.582541     -0.367892      2.290610
  C      -8.547071      9.430740     -0.936447
  C      -7.949979      8.152475     -0.404209
  O      -8.209290      7.064722     -0.911148
  C      -7.015162      8.231830      0.766695
  C      -6.848320      9.396897      1.534163
  C      -6.021066      9.391974      2.653533
  C      -5.363994      8.219284      3.009912
  F      -4.567708      8.251676      4.093397
  C      -5.486021      7.038103      2.254600
  C      -4.877742      5.755480      2.643841
  O      -4.650114      4.930553      1.618650
  N      -4.668219      5.445550      3.893668
  C      -4.520152      4.127027      4.152822
  C      -6.313794      7.078977      1.124964
  C     -10.510816      4.006487     -0.160388
  C      -9.936852      2.925804      0.720801
  O      -9.983261      1.742005      0.386948
  C      -9.278987      3.321297      2.003701
  C      -9.077813      4.665034      2.355488
  C      -8.445946      4.994996      3.550799
  C      -7.993002      3.970066      4.373564
  F      -7.394717      4.307615      5.543916
  C      -8.156792      2.616639      4.056365
  C      -7.644777      1.515604      4.950696
  O      -8.387199      0.616390      5.337398
  N      -6.283464      1.584494      5.180764
  C      -5.795279      1.459828      6.388047
  C      -8.835897      2.315679      2.874997
  H      -7.862370      1.203861     -0.912694
  H      -6.356305      1.533047     -1.837888
  H      -6.938654     -0.148924     -1.578018
  H      -8.410974     -0.563322      0.398325
  H      -9.077189     -2.046130      2.284501
  H      -2.648954     -2.104150      5.587861
  H      -4.590920      0.081100      2.294118
  H      -9.202485      9.893614     -0.181578
  H      -7.762866     10.164963     -1.174356
  H      -9.134303      9.209480     -1.833579
  H      -7.372936     10.314889      1.269205
  H      -5.876536     10.284028      3.262982
  H      -5.126764      3.414775      3.578353
  H      -6.450698      6.181224      0.525692
  H     -10.972707      3.547246     -1.040394
  H      -9.724275      4.706752     -0.484202
  H     -11.261763      4.595809      0.387376
  H      -9.414251      5.466273      1.697607
  H      -8.300029      6.028903      3.850878
  H      -6.456816      1.495669      7.270382
  H      -9.010384      1.272344      2.616575
  N      -2.947308      1.897285      3.164406
  N      -3.167114      2.553118      2.002305
  H      -3.871360      2.051391      1.409399
  H      -2.291636      2.645104      1.471217
  H      -4.008347      4.154637      1.800352
91
Coordinates from ORCA-job orca E -6725.238209560133
  N      -1.901584     -0.101134      5.297831
  Mo     -3.240282      1.425180      4.852086
  N      -4.462122      1.345051      6.593999
  C      -3.951198      1.863758      7.863044
  C      -2.431629      1.826575      7.819271
  N      -1.864858      2.222355      6.479486
  C      -0.533144      1.551522      6.296130
  C      -0.715467      0.043766      6.114652
  C      -1.710691      3.699028      6.296486
  C      -3.034001      4.385009      5.995087
  N      -3.795451      3.567329      5.054539
  H       0.173133     -0.361639      5.605081
  H      -0.820885     -0.491449      7.071433
  H      -0.092955      1.974831      5.384146
  H       0.130320      1.784166      7.144363
  H      -3.637499      4.505280      6.908644
  H      -2.843953      5.392158      5.596123
  H      -1.229549      4.140499      7.184134
  H      -1.038226      3.832990      5.438166
  H      -4.290678      1.255624      8.719452
  H      -4.314276      2.889442      8.041254
  H      -2.103953      0.796211      7.997965
  H      -1.986852      2.462256      8.601149
  C      -6.893454      0.820647     -1.078620
  C      -6.078723      0.794637      0.182658
  O      -5.061143      1.497876      0.276791
  C      -6.500871     -0.099388      1.289916
  C      -7.779856     -0.687398      1.321204
  C      -8.162447     -1.487908      2.390468
  C      -7.254437     -1.735642      3.416051
  F      -7.656908     -2.499314      4.436489
  C      -5.952881     -1.196027      3.405957
  C      -4.937826     -1.580175      4.419746
  O      -4.980704     -2.630219      5.049636
  N      -3.859343     -0.681232      4.562850
  C      -2.757441     -1.099600      5.196142
  C      -5.611854     -0.364566      2.337369
  C      -8.688441      9.352236     -0.910180
  C      -8.037862      8.087013     -0.410855
  O      -8.283214      6.996672     -0.920156
  C      -7.105486      8.175223      0.760953
  C      -6.963177      9.336156      1.538602
  C      -6.135169      9.340276      2.657891
  C      -5.454677      8.178220      3.004149
  F      -4.658477      8.212826      4.087493
  C      -5.552424      7.002053      2.238227
  C      -4.919655      5.728997      2.621682
  O      -4.634650      4.934812      1.586923
  N      -4.714300      5.414477      3.872623
  C      -4.544954      4.094658      4.134681
  C      -6.379543      7.033559      1.108909
  C     -10.248652      4.202777     -0.246243
  C      -9.710739      3.078305      0.601743
  O      -9.765203      1.909722      0.218597
  C      -9.097392      3.410627      1.924587
  C      -8.905881      4.736778      2.346663
  C      -8.305094      5.007669      3.572819
  C      -7.878887      3.941531      4.355967
  F      -7.294873      4.219514      5.548007
  C      -8.045322      2.604601      3.975180
  C      -7.565950      1.465236      4.840420
  O      -8.330645      0.576126      5.207219
  N      -6.220624      1.547322      5.142444
  C      -5.779690      1.425796      6.368889
  C      -8.686251      2.361389      2.760664
  H      -7.906329      1.197442     -0.863040
  H      -6.409794      1.470441     -1.814172
  H      -7.014529     -0.192502     -1.489587
  H      -8.499883     -0.484805      0.529902
  H      -9.160649     -1.920673      2.452608
  H      -2.630336     -2.114769      5.596775
  H      -4.606253      0.050449      2.305246
  H      -9.337105      9.785230     -0.132498
  H      -7.933088     10.112886     -1.158364
  H      -9.291217      9.124351     -1.795274
  H      -7.507159     10.244877      1.280628
  H      -6.008637     10.230225      3.274420
  H      -5.141576      3.376301      3.558149
  H      -6.496531      6.137846      0.501725
  H     -10.685356      3.788889     -1.161051
  H      -9.446508      4.910563     -0.509887
  H     -11.012139      4.775437      0.301712
  H      -9.219331      5.568488      1.715678
  H      -8.159079      6.027792      3.928575
  H      -6.467605      1.457433      7.231593
  H      -8.856461      1.332202      2.444015
  N      -2.975837      1.873082      3.156393
  N      -3.240983      2.529712      2.004648
  H      -3.943116      2.009007      1.417436
  H      -2.381530      2.673267      1.458445
  H      -4.183645      4.100165      1.863952
91
Coordinates from ORCA-job orca E -6725.238609063008
  N      -1.913324     -0.110920      5.292379
  Mo     -3.243002      1.421145      4.860415
  N      -4.452170      1.351302      6.610483
  C      -3.924066      1.862442      7.875184
  C      -2.405523      1.814028      7.818620
  N      -1.849391      2.208220      6.474478
  C      -0.522676      1.528525      6.277811
  C      -0.716592      0.021970      6.095077
  C      -1.689601      3.684678      6.292025
  C      -3.012508      4.379406      6.001397
  N      -3.785697      3.566568      5.065190
  H       0.163273     -0.390229      5.575864
  H      -0.815447     -0.513568      7.052489
  H      -0.087891      1.950605      5.362804
  H       0.149434      1.755354      7.120735
  H      -3.608968      4.505742      6.918840
  H      -2.817283      5.384759      5.600694
  H      -1.198385      4.121958      7.176266
  H      -1.022790      3.817205      5.429157
  H      -4.261424      1.256772      8.734162
  H      -4.275510      2.891518      8.056619
  H      -2.081733      0.781594      7.995692
  H      -1.950849      2.447640      8.596447
  C      -6.974255      0.793072     -1.100280
  C      -6.121564      0.734808      0.131866
  O      -5.102933      1.438339      0.199010
  C      -6.528226     -0.145245      1.255794
  C      -7.806538     -0.734010      1.304134
  C      -8.179866     -1.521924      2.384886
  C      -7.266205     -1.752050      3.409744
  F      -7.660886     -2.503777      4.441142
  C      -5.967535     -1.205988      3.389870
  C      -4.953891     -1.578177      4.412952
  O      -4.987108     -2.636365      5.029904
  N      -3.874475     -0.681825      4.563559
  C      -2.765661     -1.110233      5.184740
  C      -5.632021     -0.393264      2.303866
  C      -8.653284      9.325335     -0.957963
  C      -7.995671      8.069380     -0.445269
  O      -8.161161      6.986582     -1.000893
  C      -7.126441      8.162353      0.773242
  C      -7.071719      9.307378      1.585449
  C      -6.298156      9.316273      2.742973
  C      -5.582025      8.176464      3.091606
  F      -4.837532      8.218126      4.210819
  C      -5.593726      7.018156      2.293827
  C      -4.922923      5.763385      2.666863
  O      -4.584196      5.010719      1.619541
  N      -4.722698      5.426063      3.914257
  C      -4.538615      4.103177      4.154642
  C      -6.370006      7.042617      1.128327
  C     -10.190818      4.175147     -0.277321
  C      -9.660714      3.076085      0.608023
  O      -9.713989      1.896306      0.259915
  C      -9.047205      3.445332      1.921463
  C      -8.832418      4.781580      2.301402
  C      -8.236800      5.082216      3.524496
  C      -7.839006      4.033771      4.345755
  F      -7.268786      4.341259      5.536765
  C      -8.024588      2.687559      4.004314
  C      -7.577103      1.563803      4.906480
  O      -8.347101      0.663249      5.231448
  N      -6.225719      1.602487      5.185307
  C      -5.770907      1.449971      6.402273
  C      -8.659660      2.417750      2.792872
  H      -7.974426      1.171796     -0.848251
  H      -6.504454      1.458277     -1.832644
  H      -7.115922     -0.209590     -1.530076
  H      -8.532106     -0.541849      0.514556
  H      -9.176167     -1.957382      2.457922
  H      -2.626745     -2.131826      5.564114
  H      -4.627751      0.022972      2.262765
  H      -9.366786      9.715799     -0.215623
  H      -7.909428     10.116456     -1.135611
  H      -9.188114      9.101423     -1.886703
  H      -7.640982     10.199495      1.323946
  H      -6.239309     10.193921      3.386751
  H      -5.136977      3.388610      3.574868
  H      -6.419371      6.155420      0.494221
  H     -10.630560      3.732198     -1.176993
  H      -9.384699      4.867987     -0.565971
  H     -10.950526      4.770477      0.251377
  H      -9.126755      5.597891      1.642274
  H      -8.076200      6.113087      3.849716
  H      -6.446238      1.488259      7.274688
  H      -8.848556      1.381533      2.512952
  N      -2.975780      1.871231      3.166328
  N      -3.229572      2.543813      2.024896
  H      -3.967113      2.057901      1.439348
  H      -2.373749      2.674240      1.469519
  H      -4.141064      4.133665      1.914109
91
Coordinates from ORCA-job orca E -6725.239446134379
  N      -1.901275     -0.105009      5.308235
  Mo     -3.230231      1.422569      4.847859
  N      -4.467394      1.361519      6.584710
  C      -3.952859      1.857316      7.860794
  C      -2.434404      1.807989      7.822304
  N      -1.861846      2.213064      6.489640
  C      -0.529393      1.542559      6.309474
  C      -0.711535      0.035076      6.119817
  C      -1.706644      3.691104      6.319624
  C      -3.026392      4.378760      5.997756
  N      -3.764508      3.569282      5.031199
  H       0.174927     -0.367126      5.603816
  H      -0.811654     -0.505754      7.074036
  H      -0.083586      1.969724      5.402010
  H       0.130167      1.770159      7.162307
  H      -3.651015      4.489515      6.898157
  H      -2.828582      5.390313      5.613664
  H      -1.241866      4.127022      7.218833
  H      -1.018153      3.832351      5.475253
  H      -4.299956      1.241299      8.708447
  H      -4.306231      2.883907      8.051824
  H      -2.113960      0.774133      7.993213
  H      -1.988709      2.433533      8.612041
  C      -6.892963      0.824603     -1.100382
  C      -6.070767      0.782463      0.154698
  O      -5.057852      1.492190      0.249018
  C      -6.484249     -0.118459      1.259559
  C      -7.759472     -0.715100      1.288648
  C      -8.137727     -1.520603      2.355336
  C      -7.230614     -1.762146      3.383410
  F      -7.629153     -2.531394      4.400813
  C      -5.933915     -1.211011      3.378528
  C      -4.923200     -1.587975      4.400579
  O      -4.950826     -2.651878      5.007968
  N      -3.851605     -0.685534      4.559519
  C      -2.749843     -1.107645      5.191559
  C      -5.594808     -0.379671      2.308506
  C      -8.619527      9.369152     -0.937460
  C      -7.969809      8.106657     -0.430531
  O      -8.158399      7.023966     -0.978329
  C      -7.064359      8.196235      0.762329
  C      -6.975857      9.341945      1.570370
  C      -6.174830      9.343204      2.709146
  C      -5.465720      8.194911      3.043800
  F      -4.696237      8.229341      4.146116
  C      -5.509357      7.035515      2.247681
  C      -4.852591      5.771474      2.613458
  O      -4.541930      5.008558      1.559747
  N      -4.668558      5.427243      3.859328
  C      -4.496142      4.104221      4.103649
  C      -6.310835      7.069767      1.099747
  C     -10.397531      4.105724     -0.211467
  C      -9.854632      3.011411      0.672354
  O      -9.933579      1.828384      0.341399
  C      -9.193082      3.391121      1.958347
  C      -8.964673      4.730257      2.313728
  C      -8.333982      5.044573      3.514167
  C      -7.910660      4.008029      4.338028
  F      -7.314838      4.330943      5.513356
  C      -8.099548      2.658305      4.015935
  C      -7.617545      1.547650      4.916235
  O      -8.378961      0.657701      5.287804
  N      -6.259238      1.595823      5.162161
  C      -5.787079      1.455085      6.374924
  C      -8.775322      2.374003      2.828985
  H      -7.907043      1.196806     -0.876070
  H      -6.410330      1.486721     -1.826882
  H      -7.012895     -0.182497     -1.526646
  H      -8.479768     -0.514224      0.496443
  H      -9.132755     -1.960910      2.414910
  H      -2.612897     -2.127851      5.576318
  H      -4.592597      0.043749      2.281394
  H      -9.311227      9.775116     -0.182560
  H      -7.868555     10.148264     -1.136904
  H      -9.177615      9.146904     -1.852779
  H      -7.542207     10.239660      1.322145
  H      -6.091016     10.220760      3.350247
  H      -5.081799      3.390484      3.510154
  H      -6.387341      6.184462      0.469797
  H     -10.872497      3.657642     -1.090332
  H      -9.590162      4.781572     -0.536084
  H     -11.130356      4.720192      0.332990
  H      -9.280421      5.538952      1.654896
  H      -8.166315      6.075926      3.818859
  H      -6.457991      1.491345      7.250454
  H      -8.971687      1.335239      2.566453
  N      -2.937690      1.859668      3.154717
  N      -3.157208      2.526218      2.004874
  H      -3.892568      2.058027      1.416771
  H      -2.289669      2.626027      1.462670
  H      -4.034075      4.177809      1.853494
91
Coordinates from ORCA-job orca E -6725.239685574718
  N      -1.901377     -0.097185      5.313995
  Mo     -3.244264      1.413231      4.850260
  N      -4.469064      1.351966      6.593808
  C      -3.953091      1.852208      7.867489
  C      -2.433399      1.820934      7.817002
  N      -1.875132      2.226288      6.477426
  C      -0.535191      1.569794      6.286760
  C      -0.700819      0.058537      6.105778
  C      -1.740710      3.704972      6.299357
  C      -3.073073      4.371967      5.983428
  N      -3.801982      3.551237      5.018492
  H       0.182515     -0.337083      5.579234
  H      -0.780938     -0.477958      7.064139
  H      -0.103685      1.997243      5.372555
  H       0.130458      1.809627      7.131465
  H      -3.697216      4.471226      6.885477
  H      -2.892816      5.386981      5.599776
  H      -1.275441      4.152260      7.192699
  H      -1.060417      3.851524      5.449256
  H      -4.286758      1.230607      8.716525
  H      -4.318148      2.874002      8.062395
  H      -2.100004      0.791797      7.991161
  H      -1.988250      2.455397      8.599908
  C      -6.909217      0.789288     -1.073321
  C      -6.086235      0.757532      0.182043
  O      -5.086086      1.485124      0.279303
  C      -6.493774     -0.141692      1.290238
  C      -7.766526     -0.743079      1.325097
  C      -8.136669     -1.551355      2.392886
  C      -7.223167     -1.791904      3.415560
  F      -7.611479     -2.566365      4.433154
  C      -5.928824     -1.235606      3.404353
  C      -4.908375     -1.612854      4.416505
  O      -4.919481     -2.684154      5.011616
  N      -3.847806     -0.699534      4.578919
  C      -2.734480     -1.112669      5.201063
  C      -5.598916     -0.399437      2.335408
  C      -8.619859      9.417061     -0.936168
  C      -7.979397      8.142969     -0.446668
  O      -8.217082      7.061459     -0.977426
  C      -7.080575      8.209056      0.752646
  C      -6.966967      9.353839      1.559067
  C      -6.170248      9.337492      2.700522
  C      -5.492275      8.172107      3.040449
  F      -4.726183      8.189557      4.145724
  C      -5.563549      7.011586      2.248420
  C      -4.938655      5.733000      2.622168
  O      -4.619959      4.964093      1.576180
  N      -4.743915      5.397705      3.867823
  C      -4.548133      4.077746      4.101180
  C      -6.359502      7.063299      1.096951
  C     -10.308986      4.179018     -0.228639
  C      -9.759933      3.070618      0.633569
  O      -9.820014      1.894935      0.273188
  C      -9.128343      3.425395      1.941608
  C      -8.914750      4.757622      2.332933
  C      -8.298178      5.047173      3.547418
  C      -7.877467      3.992531      4.349077
  F      -7.283313      4.289328      5.531522
  C      -8.064267      2.649735      3.997689
  C      -7.592205      1.522009      4.881651
  O      -8.359286      0.632794      5.243329
  N      -6.240158      1.579636      5.156069
  C      -5.786759      1.441288      6.376463
  C      -8.721486      2.390019      2.795449
  H      -7.930025      1.139356     -0.850718
  H      -6.438914      1.463191     -1.796301
  H      -7.009490     -0.218235     -1.503458
  H      -8.491367     -0.544355      0.536288
  H      -9.129542     -1.996045      2.456257
  H      -2.579739     -2.134938      5.573283
  H      -4.598258      0.027431      2.303913
  H      -9.289040      9.832945     -0.166320
  H      -7.860099     10.183762     -1.149294
  H      -9.200191      9.206496     -1.840348
  H      -7.507913     10.265684      1.305654
  H      -6.065490     10.214525      3.339241
  H      -5.124852      3.357848      3.506492
  H      -6.454193      6.179484      0.466920
  H     -10.768134      3.746330     -1.123485
  H      -9.507928      4.873692     -0.527917
  H     -11.056191      4.769593      0.322745
  H      -9.224182      5.580004      1.688333
  H      -8.136785      6.073026      3.879062
  H      -6.467552      1.476289      7.244474
  H      -8.908863      1.356778      2.505362
  N      -2.967708      1.839720      3.150626
  N      -3.192482      2.498749      1.996832
  H      -3.930396      2.026454      1.412835
  H      -2.327265      2.602813      1.451871
  H      -4.087718      4.151871      1.831351
91
Coordinates from ORCA-job orca E -6725.239975538345
  N      -1.904452     -0.114339      5.324074
  Mo     -3.234839      1.408916      4.851128
  N      -4.474155      1.369497      6.586805
  C      -3.959804      1.857330      7.865546
  C      -2.440454      1.806727      7.823169
  N      -1.870100      2.211514      6.488843
  C      -0.534867      1.546728      6.307290
  C      -0.709283      0.036887      6.124985
  C      -1.724543      3.690455      6.314607
  C      -3.045262      4.366828      5.978862
  N      -3.764136      3.553292      5.001553
  H       0.176169     -0.361889      5.604599
  H      -0.798817     -0.500679      7.082078
  H      -0.095093      1.972023      5.396044
  H       0.127158      1.781669      7.156161
  H      -3.681565      4.468107      6.872222
  H      -2.853351      5.381350      5.600388
  H      -1.271601      4.133424      7.216257
  H      -1.029573      3.834118      5.475952
  H      -4.304993      1.235726      8.709978
  H      -4.312881      2.882969      8.063264
  H      -2.121441      0.772174      7.993493
  H      -1.991904      2.431655      8.611667
  C      -6.924736      0.787515     -1.065750
  C      -6.092667      0.758372      0.183142
  O      -5.085128      1.476467      0.270088
  C      -6.506683     -0.128040      1.300229
  C      -7.789554     -0.707146      1.346319
  C      -8.167359     -1.499273      2.423076
  C      -7.251607     -1.747319      3.441863
  F      -7.648571     -2.504763      4.469211
  C      -5.947920     -1.214750      3.419809
  C      -4.929844     -1.600258      4.432167
  O      -4.953851     -2.667110      5.034615
  N      -3.856672     -0.699413      4.584199
  C      -2.747906     -1.118440      5.211089
  C      -5.609884     -0.392690      2.341955
  C      -8.750798      9.332873     -0.858785
  C      -8.074388      8.075322     -0.375461
  O      -8.283660      6.988892     -0.908901
  C      -7.133009      8.169861      0.788634
  C      -7.025402      9.316760      1.591828
  C      -6.191158      9.324127      2.706762
  C      -5.469049      8.179125      3.022915
  F      -4.666395      8.216207      4.101007
  C      -5.531536      7.018290      2.230254
  C      -4.865350      5.756694      2.587877
  O      -4.549225      4.999134      1.530861
  N      -4.679268      5.407990      3.830390
  C      -4.493906      4.084440      4.068647
  C      -6.365529      7.046055      1.105853
  C     -10.222698      4.218302     -0.290289
  C      -9.698975      3.104101      0.579339
  O      -9.756959      1.929685      0.214278
  C      -9.084506      3.453177      1.897239
  C      -8.880529      4.784062      2.298380
  C      -8.285090      5.068205      3.524344
  C      -7.874177      4.010576      4.327204
  F      -7.305301      4.302171      5.523154
  C      -8.046756      2.669186      3.963481
  C      -7.583016      1.539313      4.849985
  O      -8.354032      0.649671      5.202575
  N      -6.234483      1.598737      5.137217
  C      -5.789417      1.467135      6.361330
  C      -8.685448      2.413950      2.750698
  H      -7.934688      1.163301     -0.837414
  H      -6.449750      1.437754     -1.807104
  H      -7.048471     -0.225942     -1.475375
  H      -8.515056     -0.502535      0.559858
  H      -9.167880     -1.924825      2.496660
  H      -2.603631     -2.139154      5.591541
  H      -4.602622      0.017434      2.300687
  H      -9.407211      9.742008     -0.074805
  H      -8.010876     10.111744     -1.096871
  H      -9.349703      9.104523     -1.746342
  H      -7.602485     10.211647      1.358529
  H      -6.091573     10.203823      3.342645
  H      -5.071779      3.369631      3.469441
  H      -6.457391      6.159431      0.479985
  H     -10.658731      3.791875     -1.199645
  H      -9.414022      4.915702     -0.561830
  H     -10.983948      4.806939      0.243776
  H      -9.182343      5.608391      1.652496
  H      -8.131765      6.092622      3.864634
  H      -6.475601      1.507304      7.225152
  H      -8.865423      1.382004      2.450190
  N      -2.943873      1.822941      3.150449
  N      -3.158900      2.475201      1.993117
  H      -3.897551      2.004245      1.407968
  H      -2.289326      2.575433      1.454729
  H      -4.078772      4.155229      1.802840
91
Coordinates from ORCA-job orca E -6725.240192495624
  N      -1.900488     -0.106267      5.326067
  Mo     -3.236523      1.408124      4.847565
  N      -4.471444      1.368093      6.588253
  C      -3.952253      1.830632      7.874062
  C      -2.433000      1.784989      7.823685
  N      -1.872164      2.210938      6.493086
  C      -0.532108      1.560907      6.299850
  C      -0.694145      0.050251      6.107932
  C      -1.742216      3.692816      6.336034
  C      -3.069018      4.356726      5.994853
  N      -3.762765      3.550147      4.994279
  H       0.186239     -0.335593      5.569570
  H      -0.762626     -0.495589      7.062046
  H      -0.100299      1.996990      5.389929
  H       0.131898      1.795094      7.147442
  H      -3.719601      4.433582      6.880193
  H      -2.886336      5.380180      5.636105
  H      -1.302131      4.132111      7.245837
  H      -1.042296      3.854485      5.504883
  H      -4.292121      1.191015      8.707059
  H      -4.306462      2.851080      8.095144
  H      -2.109310      0.749373      7.977578
  H      -1.982733      2.399808      8.619240
  C      -6.935413      0.796898     -1.061253
  C      -6.104569      0.770383      0.188065
  O      -5.085990      1.474372      0.263143
  C      -6.508210     -0.123565      1.302506
  C      -7.789450     -0.706188      1.354747
  C      -8.158192     -1.505319      2.429480
  C      -7.234852     -1.757163      3.440453
  F      -7.621902     -2.521262      4.466849
  C      -5.932934     -1.221245      3.411896
  C      -4.906613     -1.614461      4.413031
  O      -4.924013     -2.689440      5.001670
  N      -3.845472     -0.705014      4.585861
  C      -2.732705     -1.121172      5.203020
  C      -5.603496     -0.392942      2.336373
  C      -8.668812      9.370510     -0.911041
  C      -8.005011      8.108303     -0.422299
  O      -8.181973      7.031238     -0.985025
  C      -7.102080      8.190229      0.772803
  C      -7.028442      9.325067      1.597205
  C      -6.227676      9.320495      2.736159
  C      -5.503585      8.177025      3.054108
  F      -4.732644      8.205569      4.155576
  C      -5.533050      7.028416      2.241971
  C      -4.858825      5.769096      2.593069
  O      -4.513037      5.033756      1.530123
  N      -4.682706      5.408112      3.835151
  C      -4.488877      4.084877      4.062054
  C      -6.336200      7.067295      1.095437
  C     -10.309955      4.161818     -0.263119
  C      -9.764714      3.063499      0.613754
  O      -9.831018      1.882990      0.270455
  C      -9.121084      3.434841      1.911464
  C      -8.896430      4.771461      2.280763
  C      -8.277730      5.075480      3.490536
  C      -7.865897      4.031150      4.310434
  F      -7.279509      4.343259      5.493043
  C      -8.056950      2.684135      3.977277
  C      -7.594644      1.567447      4.880600
  O      -8.366401      0.680891      5.239520
  N      -6.241590      1.613389      5.150623
  C      -5.787705      1.468434      6.370442
  C      -8.716926      2.410445      2.779557
  H      -7.947478      1.168904     -0.834648
  H      -6.459883      1.450512     -1.800001
  H      -7.055381     -0.216110     -1.473558
  H      -8.520792     -0.498629      0.574423
  H      -9.157311     -1.933254      2.507824
  H      -2.574442     -2.146492      5.564926
  H      -4.597672      0.020228      2.292232
  H      -9.364171      9.758148     -0.150079
  H      -7.925907     10.160131     -1.099249
  H      -9.225076      9.155548     -1.829193
  H      -7.605325     10.219318      1.361081
  H      -6.154244     10.190168      3.389181
  H      -5.051305      3.370933      3.447801
  H      -6.403978      6.188922      0.454168
  H     -10.777534      3.718259     -1.148267
  H      -9.505020      4.845283     -0.577145
  H     -11.049023      4.768036      0.282063
  H      -9.202178      5.585310      1.623556
  H      -8.110030      6.105259      3.805857
  H      -6.468640      1.504801      7.238347
  H      -8.913452      1.374291      2.506353
  N      -2.951300      1.815114      3.144458
  N      -3.151062      2.472492      1.988216
  H      -3.906906      2.025803      1.406102
  H      -2.281617      2.555866      1.446886
  H      -4.036688      4.186564      1.808594
91
Coordinates from ORCA-job orca E -6725.240279955507
  N      -1.898508     -0.118107      5.350120
  Mo     -3.224164      1.396343      4.851725
  N      -4.480593      1.371747      6.576657
  C      -3.972778      1.872864      7.853354
  C      -2.453340      1.825225      7.822589
  N      -1.874060      2.216308      6.488400
  C      -0.535593      1.551455      6.323749
  C      -0.706978      0.039492      6.154575
  C      -1.729673      3.693567      6.300080
  C      -3.050829      4.364660      5.950244
  N      -3.762459      3.539240      4.976071
  H       0.180882     -0.364964      5.642698
  H      -0.800582     -0.488161      7.116785
  H      -0.088931      1.968242      5.411883
  H       0.118939      1.795639      7.175805
  H      -3.692501      4.475536      6.838311
  H      -2.857601      5.375416      5.562285
  H      -1.282247      4.146011      7.199859
  H      -1.029611      3.830468      5.464472
  H      -4.322030      1.258975      8.701738
  H      -4.328508      2.899738      8.038153
  H      -2.132734      0.793927      8.008891
  H      -2.012405      2.461122      8.606769
  C      -6.916327      0.807042     -1.064360
  C      -6.082788      0.766569      0.183322
  O      -5.078232      1.488115      0.273953
  C      -6.485735     -0.136592      1.291124
  C      -7.762975     -0.728439      1.332168
  C      -8.131751     -1.537561      2.399203
  C      -7.213429     -1.788116      3.415051
  F      -7.601090     -2.563990      4.431965
  C      -5.915973     -1.240158      3.400039
  C      -4.896905     -1.625838      4.412006
  O      -4.912704     -2.700265      5.001514
  N      -3.836706     -0.714612      4.587562
  C      -2.730196     -1.130578      5.225348
  C      -5.585929     -0.403631      2.330371
  C      -8.670362      9.394753     -0.891056
  C      -8.007737      8.126948     -0.415508
  O      -8.219592      7.048144     -0.962766
  C      -7.093370      8.198384      0.771427
  C      -6.999574      9.332434      1.594816
  C      -6.189816      9.319139      2.727591
  C      -5.477859      8.167066      3.040978
  F      -4.698537      8.185622      4.136687
  C      -5.528894      7.018322      2.230121
  C      -4.876172      5.749164      2.581162
  O      -4.533766      5.014826      1.513394
  N      -4.696992      5.386257      3.818921
  C      -4.493862      4.063709      4.044441
  C      -6.338299      7.066349      1.088348
  C     -10.356822      4.177903     -0.234653
  C      -9.802169      3.075211      0.630199
  O      -9.862747      1.897205      0.276761
  C      -9.154032      3.438459      1.927978
  C      -8.929551      4.772566      2.306452
  C      -8.304204      5.067828      3.515163
  C      -7.885151      4.017585      4.323778
  F      -7.288587      4.320762      5.503607
  C      -8.078644      2.672914      3.982348
  C      -7.609997      1.548976      4.873862
  O      -8.381634      0.665489      5.239959
  N      -6.256378      1.594456      5.136189
  C      -5.797122      1.467675      6.354834
  C      -8.745142      2.407993      2.786707
  H      -7.930177      1.171458     -0.833422
  H      -6.444157      1.472401     -1.794774
  H      -7.031978     -0.201088     -1.489370
  H      -8.491181     -0.520777      0.548734
  H      -9.127686     -1.974550      2.467839
  H      -2.577832     -2.153484      5.596427
  H      -4.583171      0.017715      2.294688
  H      -9.340445      9.793537     -0.113207
  H      -7.923344     10.174588     -1.102066
  H      -9.253189      9.183036     -1.793308
  H      -7.567726     10.233428      1.363045
  H      -6.101174     10.188680      3.378866
  H      -5.060786      3.345770      3.438322
  H      -6.421261      6.188566      0.447150
  H     -10.816637      3.740023     -1.126661
  H      -9.561567      4.877638     -0.537116
  H     -11.106076      4.766022      0.316897
  H      -9.239018      5.591176      1.657003
  H      -8.135159      6.095205      3.837655
  H      -6.475489      1.518861      7.224105
  H      -8.943065      1.374226      2.505789
  N      -2.906250      1.803128      3.153938
  N      -3.100925      2.459011      1.999895
  H      -3.852948      2.015828      1.412966
  H      -2.228620      2.548245      1.464780
  H      -4.021679      4.196934      1.792702
91
Coordinates from ORCA-job orca E -6725.240488364846
  N      -1.908381     -0.119197      5.363675
  Mo     -3.232314      1.392450      4.853663
  N      -4.483796      1.384495      6.583078
  C      -3.970667      1.862469      7.865926
  C      -2.451000      1.811790      7.825986
  N      -1.879189      2.214400      6.492472
  C      -0.538865      1.557032      6.317476
  C      -0.704109      0.043688      6.146884
  C      -1.745102      3.693451      6.313435
  C      -3.068823      4.354189      5.953992
  N      -3.755977      3.534396      4.958276
  H       0.177099     -0.354051      5.618469
  H      -0.777936     -0.487112      7.109015
  H      -0.100407      1.977849      5.403540
  H       0.120598      1.802367      7.165448
  H      -3.725504      4.444133      6.833505
  H      -2.882577      5.372506      5.582844
  H      -1.310360      4.145585      7.219509
  H      -1.038897      3.841412      5.484973
  H      -4.316630      1.233967      8.704887
  H      -4.323819      2.886509      8.071303
  H      -2.131966      0.777978      8.000221
  H      -2.003881      2.438598      8.613973
  C      -6.908720      0.803746     -1.054620
  C      -6.065199      0.752609      0.185965
  O      -5.054132      1.466024      0.272383
  C      -6.478933     -0.137458      1.300135
  C      -7.764123     -0.711572      1.347165
  C      -8.141793     -1.509634      2.419572
  C      -7.224136     -1.767717      3.434116
  F      -7.620195     -2.529776      4.458691
  C      -5.919774     -1.237523      3.412816
  C      -4.901408     -1.631776      4.422183
  O      -4.912281     -2.715203      4.995398
  N      -3.845782     -0.719392      4.608259
  C      -2.734938     -1.136140      5.235265
  C      -5.581006     -0.410315      2.339063
  C      -8.723859      9.379082     -0.856116
  C      -8.048051      8.114660     -0.390176
  O      -8.273863      7.032287     -0.924832
  C      -7.113414      8.191908      0.780615
  C      -7.007406      9.329207      1.597901
  C      -6.179443      9.321110      2.717453
  C      -5.462622      8.170295      3.024457
  F      -4.666110      8.193237      4.107771
  C      -5.525591      7.018348      2.219142
  C      -4.865447      5.750712      2.566281
  O      -4.534600      5.010743      1.499675
  N      -4.687852      5.385115      3.804183
  C      -4.482278      4.062397      4.024270
  C      -6.352180      7.061737      1.089728
  C     -10.308122      4.193967     -0.263379
  C      -9.757691      3.090463      0.603108
  O      -9.810438      1.913268      0.245573
  C      -9.128669      3.451965      1.910608
  C      -8.914989      4.785784      2.296273
  C      -8.301410      5.079543      3.511214
  C      -7.882868      4.028351      4.318717
  F      -7.293894      4.330309      5.502426
  C      -8.068586      2.683980      3.971858
  C      -7.602384      1.560416      4.865052
  O      -8.373784      0.673910      5.224873
  N      -6.250904      1.611243      5.137341
  C      -5.798960      1.484237      6.359217
  C      -8.724345      2.420282      2.770111
  H      -7.916126      1.180195     -0.815096
  H      -6.435617      1.462644     -1.789696
  H      -7.039807     -0.203205     -1.477863
  H      -8.491009     -0.498509      0.563882
  H      -9.143812     -1.931603      2.493362
  H      -2.575073     -2.163040      5.591796
  H      -4.573200     -0.001432      2.299958
  H      -9.378640      9.779285     -0.065980
  H      -7.983147     10.159712     -1.085325
  H      -9.324820      9.162714     -1.745264
  H      -7.580131     10.228747      1.371801
  H      -6.080811     10.193276      3.363770
  H      -5.038561      3.346801      3.406406
  H      -6.443504      6.182415      0.452656
  H     -10.760386      3.757549     -1.159939
  H      -9.510680      4.894784     -0.558045
  H     -11.061906      4.780829      0.283311
  H      -9.221781      5.605012      1.646307
  H      -8.139259      6.106504      3.838840
  H      -6.481355      1.534035      7.225432
  H      -8.914453      1.386717      2.482928
  N      -2.922921      1.777628      3.148255
  N      -3.107050      2.424387      1.987165
  H      -3.862809      1.985389      1.400999
  H      -2.232351      2.510171      1.455702
  H      -4.041705      4.184066      1.759458
91
Coordinates from ORCA-job orca E -6725.240441598254
  N      -1.895224     -0.122176      5.371560
  Mo     -3.223600      1.384431      4.850804
  N      -4.488659      1.382258      6.570279
  C      -3.983652      1.858628      7.856940
  C      -2.463742      1.807572      7.826401
  N      -1.884310      2.213719      6.497411
  C      -0.540248      1.563737      6.331627
  C      -0.696315      0.049540      6.160940
  C      -1.757204      3.694138      6.319791
  C      -3.079370      4.346984      5.945194
  N      -3.749574      3.523942      4.941144
  H       0.190352     -0.342411      5.637405
  H      -0.771987     -0.482072      7.122544
  H      -0.098856      1.986878      5.420189
  H       0.112847      1.812887      7.183395
  H      -3.745626      4.431976      6.818024
  H      -2.896217      5.366617      5.576583
  H      -1.336812      4.148253      7.231544
  H      -1.041785      3.846786      5.500129
  H      -4.334485      1.228936      8.693002
  H      -4.337707      2.882691      8.061453
  H      -2.146051      0.773205      7.999688
  H      -2.021688      2.432626      8.618597
  C      -6.952532      0.805312     -1.011587
  C      -6.111242      0.777408      0.231551
  O      -5.095923      1.486043      0.307586
  C      -6.506697     -0.126075      1.342219
  C      -7.788933     -0.706123      1.400039
  C      -8.149814     -1.513846      2.470955
  C      -7.217236     -1.777716      3.470186
  F      -7.596020     -2.552293      4.492460
  C      -5.914615     -1.244857      3.435455
  C      -4.881469     -1.646489      4.426727
  O      -4.885311     -2.732278      4.995385
  N      -3.828554     -0.730286      4.608400
  C      -2.715945     -1.141302      5.235983
  C      -5.593557     -0.405684      2.365641
  C      -8.749932      9.387672     -0.828798
  C      -8.080062      8.119602     -0.364578
  O      -8.279191      7.045817     -0.926962
  C      -7.141521      8.190520      0.803272
  C      -7.044659      9.316679      1.636249
  C      -6.212720      9.302338      2.753140
  C      -5.481954      8.155584      3.040676
  F      -4.679275      8.170290      4.119401
  C      -5.535515      7.014986      2.218631
  C      -4.860032      5.750453      2.547865
  O      -4.510905      5.032672      1.470848
  N      -4.688642      5.370777      3.781878
  C      -4.472256      4.047745      3.998798
  C      -6.366161      7.064349      1.093131
  C     -10.287029      4.217255     -0.298297
  C      -9.753849      3.106749      0.569264
  O      -9.839544      1.928543      0.221445
  C      -9.101328      3.462673      1.866857
  C      -8.854040      4.794079      2.240348
  C      -8.223435      5.082010      3.447610
  C      -7.823534      4.027720      4.260534
  F      -7.218528      4.324349      5.437454
  C      -8.041061      2.685491      3.924785
  C      -7.592671      1.559406      4.824560
  O      -8.379126      0.689750      5.193227
  N      -6.244123      1.601690      5.110362
  C      -5.801779      1.483771      6.336561
  C      -8.710923      2.427807      2.729653
  H      -7.961320      1.182832     -0.777844
  H      -6.482892      1.451600     -1.759749
  H      -7.079040     -0.209889     -1.416223
  H      -8.526616     -0.489456      0.628263
  H      -9.149475     -1.939516      2.554772
  H      -2.549872     -2.167510      5.591610
  H      -4.587550      0.006695      2.315414
  H      -9.414261      9.780477     -0.043256
  H      -8.006319     10.170371     -1.041625
  H      -9.339372      9.179071     -1.727427
  H      -7.628217     10.212813      1.424962
  H      -6.121308     10.166692      3.410891
  H      -5.018872      3.330561      3.374429
  H      -6.449065      6.194248      0.443647
  H     -10.752392      3.786889     -1.191111
  H      -9.478780      4.903558     -0.597626
  H     -11.027035      4.820221      0.249819
  H      -9.147919      5.614797      1.586143
  H      -8.033835      6.106928      3.766031
  H      -6.489887      1.541096      7.198004
  H      -8.926830      1.397214      2.449232
  N      -2.901850      1.762468      3.144895
  N      -3.074767      2.403275      1.979824
  H      -3.830902      1.970474      1.391275
  H      -2.195796      2.484613      1.455287
  H      -4.029862      4.196147      1.723912
91
Coordinates from ORCA-job orca E -6725.240676532155
  N      -1.898487     -0.126288      5.387639
  Mo     -3.219461      1.378423      4.852327
  N      -4.488101      1.388826      6.568613
  C      -3.982692      1.859349      7.857281
  C      -2.462676      1.805484      7.828213
  N      -1.881496      2.210819      6.500004
  C      -0.537292      1.559786      6.336087
  C      -0.694494      0.044914      6.168637
  C      -1.753868      3.690892      6.321753
  C      -3.075243      4.342851      5.938766
  N      -3.737168      3.519247      4.929410
  H       0.188436     -0.349487      5.640608
  H      -0.764882     -0.484276      7.131945
  H      -0.094759      1.980749      5.424217
  H       0.115216      1.810068      7.187986
  H      -3.748183      4.427557      6.806343
  H      -2.890040      5.362698      5.571538
  H      -1.338237      4.146229      7.235112
  H      -1.034142      3.843568      5.505917
  H      -4.335865      1.227583      8.690763
  H      -4.334368      2.883469      8.065075
  H      -2.146477      0.770783      8.002366
  H      -2.020626      2.429875      8.621038
  C      -6.932023      0.819343     -1.022545
  C      -6.089677      0.778042      0.219036
  O      -5.071214      1.482208      0.295003
  C      -6.487700     -0.126274      1.327625
  C      -7.770683     -0.705193      1.382270
  C      -8.134797     -1.514505      2.450792
  C      -7.205136     -1.780433      3.452207
  F      -7.586495     -2.556006      4.472645
  C      -5.902209     -1.248283      3.421376
  C      -4.872166     -1.654857      4.414324
  O      -4.876860     -2.746215      4.972676
  N      -3.825560     -0.736733      4.616419
  C      -2.713932     -1.150069      5.243879
  C      -5.577143     -0.408732      2.353089
  C      -8.723857      9.363615     -0.869610
  C      -8.048221      8.099902     -0.401742
  O      -8.247408      7.022440     -0.956654
  C      -7.123352      8.175628      0.776645
  C      -7.043185      9.301770      1.611960
  C      -6.224538      9.290568      2.738497
  C      -5.489585      8.148074      3.033129
  F      -4.700979      8.167739      4.122292
  C      -5.526250      7.008311      2.209169
  C      -4.845291      5.747557      2.540571
  O      -4.479861      5.039463      1.463588
  N      -4.676823      5.365521      3.774909
  C      -4.456794      4.043520      3.987316
  C      -6.345075      7.053986      1.074589
  C     -10.338150      4.246149     -0.254470
  C      -9.776790      3.135574      0.595590
  O      -9.822416      1.962740      0.223038
  C      -9.136481      3.485962      1.900773
  C      -8.920162      4.816572      2.296074
  C      -8.298586      5.099876      3.509317
  C      -7.875119      4.042230      4.305739
  F      -7.282082      4.335470      5.489493
  C      -8.062775      2.700526      3.948904
  C      -7.597508      1.569126      4.833160
  O      -8.368195      0.675154      5.176150
  N      -6.247714      1.618614      5.113087
  C      -5.801741      1.491012      6.336869
  C      -8.725491      2.447128      2.748591
  H      -7.940519      1.193879     -0.785599
  H      -6.460765      1.475002     -1.762038
  H      -7.059617     -0.190645     -1.439782
  H      -8.506561     -0.486157      0.609207
  H      -9.135028     -1.939418      2.531549
  H      -2.543118     -2.179690      5.586964
  H      -4.570661      0.002708      2.307085
  H      -9.398766      9.749481     -0.089563
  H      -7.984875     10.152810     -1.074165
  H      -9.303874      9.151847     -1.773635
  H      -7.629726     10.194676      1.395270
  H      -6.146497     10.154272      3.398820
  H      -4.997048      3.326103      3.357606
  H      -6.417140      6.182396      0.424423
  H     -10.792561      3.818223     -1.154050
  H      -9.547081      4.956160     -0.543740
  H     -11.092640      4.821296      0.303563
  H      -9.232467      5.640965      1.655261
  H      -8.135381      6.124180      3.845037
  H      -6.487926      1.543680      7.200048
  H      -8.919276      1.416193      2.454176
  N      -2.891343      1.745219      3.145189
  N      -3.052882      2.386498      1.980358
  H      -3.816755      1.967282      1.390851
  H      -2.173128      2.464467      1.456817
  H      -4.005030      4.197340      1.730041
91
Coordinates from ORCA-job orca E -6725.240634567944
  N      -1.906803     -0.128451      5.400553
  Mo     -3.220761      1.379568      4.857430
  N      -4.491151      1.401052      6.572998
  C      -3.983027      1.874128      7.859837
  C      -2.463512      1.814598      7.830715
  N      -1.880881      2.213147      6.501219
  C      -0.539083      1.556903      6.340434
  C      -0.701864      0.041882      6.180094
  C      -1.747917      3.692104      6.317460
  C      -3.066596      4.347229      5.932212
  N      -3.731323      3.522270      4.925509
  H       0.179354     -0.358001      5.653377
  H      -0.773447     -0.482669      7.145908
  H      -0.095170      1.972285      5.426668
  H       0.114134      1.808809      7.191305
  H      -3.738793      4.436734      6.799787
  H      -2.878417      5.365286      5.561759
  H      -1.331113      4.149381      7.229292
  H      -1.027407      3.839119      5.501208
  H      -4.337904      1.246012      8.695364
  H      -4.331215      2.899978      8.064867
  H      -2.151547      0.779179      8.007957
  H      -2.018680      2.439728      8.621391
  C      -6.912415      0.825890     -1.037719
  C      -6.049566      0.752487      0.187976
  O      -5.028453      1.452464      0.264414
  C      -6.463604     -0.134521      1.304939
  C      -7.755391     -0.692989      1.362576
  C      -8.132795     -1.489481      2.436087
  C      -7.209044     -1.760640      3.441504
  F      -7.605217     -2.518963      4.469249
  C      -5.899601     -1.244559      3.411117
  C      -4.878826     -1.651355      4.413726
  O      -4.887078     -2.744079      4.969422
  N      -3.833388     -0.733747      4.624582
  C      -2.723629     -1.150105      5.254675
  C      -5.560169     -0.419288      2.336076
  C      -8.721467      9.413386     -0.827554
  C      -8.053571      8.142350     -0.368537
  O      -8.278977      7.065567     -0.914605
  C      -7.114439      8.207577      0.799063
  C      -7.006975      9.335202      1.629125
  C      -6.174285      9.316132      2.745321
  C      -5.452896      8.163879      3.035056
  F      -4.649666      8.175513      4.113596
  C      -5.517870      7.021561      2.216351
  C      -4.851130      5.752549      2.544007
  O      -4.508769      5.036615      1.463710
  N      -4.674936      5.369560      3.775809
  C      -4.454861      4.046572      3.986016
  C      -6.349816      7.075126      1.091735
  C     -10.378417      4.150694     -0.269244
  C      -9.818533      3.057626      0.603989
  O      -9.888616      1.875051      0.267857
  C      -9.162662      3.435437      1.893811
  C      -8.929996      4.773339      2.253265
  C      -8.294810      5.080865      3.453481
  C      -7.874472      4.039745      4.273159
  F      -7.267870      4.357280      5.443857
  C      -8.077653      2.691384      3.951669
  C      -7.612970      1.576905      4.857466
  O      -8.387978      0.697327      5.226859
  N      -6.260785      1.621149      5.125076
  C      -5.805728      1.505554      6.346283
  C      -8.753994      2.414624      2.764277
  H      -7.907635      1.222051     -0.779219
  H      -6.439411      1.477596     -1.779546
  H      -7.070846     -0.176985     -1.461326
  H      -8.486209     -0.471133      0.585305
  H      -9.139170     -1.899306      2.518116
  H      -2.555873     -2.180909      5.595587
  H      -4.548645     -0.020695      2.289511
  H      -9.377791      9.809679     -0.036798
  H      -7.976341     10.192661     -1.047037
  H      -9.319721      9.206802     -1.720828
  H      -7.582386     10.236202      1.415953
  H      -6.074753     10.181359      3.400734
  H      -4.999004      3.330093      3.358493
  H      -6.442410      6.202667      0.445087
  H     -10.848570      3.703688     -1.151252
  H      -9.583518      4.843927     -0.587457
  H     -11.119959      4.749000      0.281970
  H      -9.240150      5.584208      1.594536
  H      -8.118235      6.111253      3.761695
  H      -6.486239      1.566563      7.213347
  H      -8.960179      1.378838      2.496672
  N      -2.887971      1.740027      3.149264
  N      -3.048617      2.378550      1.984680
  H      -3.818336      1.966124      1.399837
  H      -2.170134      2.453778      1.458956
  H      -4.017056      4.212410      1.723955
91
Coordinates from ORCA-job orca E -6725.240762451367
  N      -1.899537     -0.124724      5.404976
  Mo     -3.219270      1.374806      4.855036
  N      -4.491604      1.395627      6.568219
  C      -3.986822      1.865247      7.857573
  C      -2.466820      1.812387      7.829014
  N      -1.885691      2.216806      6.500627
  C      -0.539343      1.569677      6.339116
  C      -0.691937      0.053286      6.178274
  C      -1.763239      3.696835      6.319270
  C      -3.085664      4.341818      5.928818
  N      -3.737688      3.513998      4.916105
  H       0.189476     -0.340548      5.647289
  H      -0.755499     -0.472102      7.144159
  H      -0.098590      1.988451      5.425395
  H       0.112568      1.825584      7.189819
  H      -3.763545      4.423124      6.792827
  H      -2.904325      5.362408      5.561925
  H      -1.353970      4.156316      7.233400
  H      -1.040461      3.850637      5.506311
  H      -4.339736      1.232056      8.690095
  H      -4.339521      2.888763      8.066827
  H      -2.150348      0.778006      8.003966
  H      -2.025110      2.437598      8.621389
  C      -6.936006      0.806749     -1.018540
  C      -6.085592      0.761282      0.217449
  O      -5.073798      1.474848      0.295168
  C      -6.479905     -0.143323      1.327149
  C      -7.761068     -0.725929      1.383200
  C      -8.121478     -1.537285      2.451432
  C      -7.189746     -1.800931      3.451379
  F      -7.567673     -2.577344      4.472674
  C      -5.888953     -1.263815      3.420081
  C      -4.857144     -1.668330      4.412310
  O      -4.847826     -2.768597      4.953009
  N      -3.820862     -0.742220      4.627508
  C      -2.706732     -1.153362      5.252881
  C      -5.567565     -0.422542      2.352131
  C      -8.707572      9.412290     -0.858166
  C      -8.049057      8.138371     -0.393630
  O      -8.266264      7.064397     -0.948511
  C      -7.120927      8.199095      0.782943
  C      -7.020932      9.323836      1.617876
  C      -6.197493      9.301213      2.740791
  C      -5.477616      8.148388      3.032149
  F      -4.682542      8.156998      4.116824
  C      -5.535488      7.008856      2.209231
  C      -4.866548      5.740236      2.535878
  O      -4.521978      5.025583      1.456104
  N      -4.691764      5.356367      3.768281
  C      -4.462578      4.034915      3.975922
  C      -6.358528      7.065789      1.078243
  C     -10.352129      4.229076     -0.257033
  C      -9.785393      3.123308      0.595547
  O      -9.836155      1.948123      0.231135
  C      -9.144215      3.479682      1.898778
  C      -8.925581      4.811708      2.288048
  C      -8.301018      5.099105      3.498834
  C      -7.877521      4.044268      4.299104
  F      -7.280199      4.342006      5.479620
  C      -8.069032      2.701350      3.948980
  C      -7.603881      1.572280      4.836100
  O      -8.376798      0.682884      5.186069
  N      -6.253966      1.619926      5.114402
  C      -5.805530      1.497894      6.337476
  C      -8.734446      2.444166      2.751075
  H      -7.944788      1.175927     -0.773356
  H      -6.472491      1.468463     -1.757311
  H      -7.062415     -0.201371     -1.440539
  H      -8.498393     -0.509939      0.610460
  H      -9.120347     -1.965150      2.533120
  H      -2.528851     -2.185452      5.584647
  H      -4.562706     -0.007290      2.305190
  H      -9.375768      9.806264     -0.076289
  H      -7.958013     10.191395     -1.062668
  H      -9.292031      9.210157     -1.761540
  H      -7.594579     10.225511      1.402856
  H      -6.103590     10.164263      3.399889
  H      -4.997262      3.315835      3.343418
  H      -6.444114      6.196089      0.427162
  H     -10.810447      3.796634     -1.152430
  H      -9.563103      4.938432     -0.553518
  H     -11.104632      4.806116      0.301913
  H      -9.237363      5.633633      1.643903
  H      -8.135048      6.124309      3.830258
  H      -6.489795      1.554555      7.201887
  H      -8.930317      1.412685      2.460255
  N      -2.886108      1.730161      3.145208
  N      -3.042807      2.364525      1.977854
  H      -3.806974      1.948601      1.387943
  H      -2.161721      2.448213      1.458059
  H      -4.035758      4.198469      1.710404
91
Coordinates from ORCA-job orca E -6725.240559006640
  N      -1.908954     -0.147677      5.417681
  Mo     -3.211797      1.362950      4.858499
  N      -4.491733      1.403581      6.563860
  C      -3.988359      1.888792      7.848195
  C      -2.468948      1.819130      7.829006
  N      -1.875329      2.202133      6.499406
  C      -0.535918      1.536650      6.350466
  C      -0.705493      0.021334      6.199370
  C      -1.733522      3.679130      6.304336
  C      -3.046800      4.338637      5.908844
  N      -3.713010      3.507608      4.908080
  H       0.175609     -0.387376      5.679176
  H      -0.783634     -0.495997      7.168529
  H      -0.085277      1.943533      5.436194
  H       0.114269      1.790968      7.202924
  H      -3.720494      4.441698      6.773884
  H      -2.851370      5.351553      5.528240
  H      -1.318244      4.140569      7.214753
  H      -1.008384      3.815881      5.490467
  H      -4.352134      1.272744      8.688889
  H      -4.331114      2.919356      8.038609
  H      -2.164713      0.783493      8.018009
  H      -2.025313      2.449202      8.616433
  C      -6.906844      0.872691     -1.008569
  C      -6.062479      0.809805      0.230745
  O      -5.023768      1.484207      0.303061
  C      -6.475145     -0.092919      1.335444
  C      -7.768783     -0.647291      1.390771
  C      -8.145856     -1.453389      2.457258
  C      -7.218971     -1.740971      3.455191
  F      -7.613767     -2.510350      4.475254
  C      -5.906118     -1.234210      3.423291
  C      -4.881581     -1.659921      4.414380
  O      -4.895298     -2.757564      4.960235
  N      -3.833309     -0.747970      4.632510
  C      -2.723638     -1.168302      5.263361
  C      -5.567817     -0.396752      2.357726
  C      -8.769682      9.328244     -0.847086
  C      -8.072433      8.071638     -0.392166
  O      -8.261451      6.994503     -0.951508
  C      -7.150839      8.150427      0.788429
  C      -7.089383      9.269589      1.634368
  C      -6.271866      9.261464      2.761956
  C      -5.518883      8.128414      3.046835
  F      -4.730954      8.150151      4.136418
  C      -5.536492      6.996302      2.211820
  C      -4.833612      5.744383      2.530423
  O      -4.456272      5.054651      1.444983
  N      -4.664447      5.350623      3.760229
  C      -4.435394      4.028092      3.965404
  C      -6.354758      7.038585      1.076844
  C     -10.340777      4.250514     -0.263584
  C      -9.791680      3.137532      0.590942
  O      -9.857072      1.962895      0.227142
  C      -9.134995      3.488045      1.887992
  C      -8.899040      4.818590      2.272781
  C      -8.266697      5.101727      3.480438
  C      -7.853191      4.044007      4.281956
  F      -7.249805      4.337024      5.460445
  C      -8.057934      2.702574      3.934187
  C      -7.599231      1.571308      4.821566
  O      -8.375287      0.683364      5.168313
  N      -6.250735      1.617301      5.104548
  C      -5.804853      1.508360      6.329148
  C      -8.729549      2.449363      2.739035
  H      -7.904136      1.274532     -0.768595
  H      -6.421239      1.514467     -1.750861
  H      -7.063114     -0.134061     -1.423845
  H      -8.502409     -0.411265      0.620647
  H      -9.154276     -1.858190      2.539453
  H      -2.554022     -2.201098      5.597207
  H      -4.554182     -0.003418      2.310950
  H      -9.447676      9.696942     -0.061369
  H      -8.043877     10.130549     -1.047604
  H      -9.349581      9.114826     -1.750782
  H      -7.690061     10.154914      1.425293
  H      -6.208838     10.120524      3.429871
  H      -4.976554      3.309677      3.337322
  H      -6.411248      6.172202      0.418302
  H     -10.801630      3.824030     -1.160572
  H      -9.542846      4.951304     -0.556430
  H     -11.088308      4.836133      0.293127
  H      -9.205330      5.642437      1.628313
  H      -8.087781      6.125922      3.808958
  H      -6.489796      1.577398      7.192325
  H      -8.936552      1.418939      2.450715
  N      -2.864087      1.709145      3.148926
  N      -3.007685      2.341837      1.979539
  H      -3.783447      1.944996      1.391228
  H      -2.125460      2.405629      1.459053
  H      -3.980109      4.205407      1.699571
91
Coordinates from ORCA-job orca E -6725.240815886605
  N      -1.900955     -0.133581      5.416030
  Mo     -3.213553      1.368884      4.857230
  N      -4.492232      1.398971      6.564647
  C      -3.989843      1.874031      7.853053
  C      -2.470122      1.814299      7.830740
  N      -1.882177      2.211715      6.503231
  C      -0.537678      1.558970      6.348927
  C      -0.695121      0.042686      6.192301
  C      -1.753368      3.690848      6.317315
  C      -3.071701      4.340022      5.920517
  N      -3.724952      3.510162      4.910354
  H       0.186663     -0.356041      5.665606
  H      -0.763780     -0.479449      7.159632
  H      -0.092145      1.973465      5.435587
  H       0.111952      1.815166      7.201274
  H      -3.750839      4.429001      6.782812
  H      -2.884984      5.357861      5.548788
  H      -1.345501      4.151340      7.231552
  H      -1.027055      3.839141      5.506511
  H      -4.348650      1.247382      8.688016
  H      -4.338637      2.900407      8.054848
  H      -2.158824      0.779120      8.010437
  H      -2.028976      2.440550      8.622605
  C      -6.933320      0.846301     -1.006530
  C      -6.075737      0.781761      0.223444
  O      -5.055796      1.483764      0.300254
  C      -6.474171     -0.125449      1.329519
  C      -7.759700     -0.698270      1.386274
  C      -8.124120     -1.510305      2.452644
  C      -7.192506     -1.783858      3.450054
  F      -7.574782     -2.559301      4.470465
  C      -5.887621     -1.257039      3.417673
  C      -4.857113     -1.670512      4.407693
  O      -4.854902     -2.771422      4.947213
  N      -3.820226     -0.747054      4.630244
  C      -2.708181     -1.160652      5.258359
  C      -5.561849     -0.415373      2.351535
  C      -8.722950      9.386880     -0.859907
  C      -8.054746      8.117354     -0.397251
  O      -8.261483      7.043072     -0.955610
  C      -7.129735      8.182584      0.781525
  C      -7.042800      9.304643      1.621423
  C      -6.222571      9.285209      2.746803
  C      -5.492319      8.138252      3.035412
  F      -4.700804      8.149731      4.122574
  C      -5.536437      7.001984      2.207055
  C      -4.856612      5.738259      2.529773
  O      -4.500417      5.033655      1.447076
  N      -4.681133      5.350955      3.761045
  C      -4.449380      4.029453      3.968325
  C      -6.356744      7.055712      1.073933
  C     -10.361378      4.235139     -0.255189
  C      -9.801765      3.126593      0.598448
  O      -9.862565      1.951110      0.236665
  C      -9.149796      3.481433      1.896729
  C      -8.922131      4.813042      2.282211
  C      -8.290858      5.099441      3.489630
  C      -7.869673      4.044048      4.290379
  F      -7.267211      4.340861      5.468494
  C      -8.068042      2.701517      3.942911
  C      -7.603942      1.571682      4.829512
  O      -8.377561      0.682425      5.178386
  N      -6.254396      1.618542      5.108775
  C      -5.805965      1.501868      6.332030
  C      -8.739934      2.445293      2.748383
  H      -7.935589      1.226614     -0.751681
  H      -6.466546      1.507177     -1.744103
  H      -7.075335     -0.157280     -1.434311
  H      -8.497072     -0.473895      0.616043
  H      -9.126253     -1.930278      2.535312
  H      -2.531114     -2.193757      5.587348
  H      -4.554096     -0.007353      2.304035
  H      -9.396955      9.772309     -0.078767
  H      -7.979795     10.173318     -1.059703
  H      -9.302961      9.182417     -1.765618
  H      -7.625015     10.201407      1.408899
  H      -6.139457     10.146212      3.410010
  H      -4.984343      3.309349      3.337074
  H      -6.432671      6.187619      0.419613
  H     -10.824108      3.804689     -1.149286
  H      -9.567822      4.938650     -0.553528
  H     -11.109056      4.818283      0.303895
  H      -9.233048      5.635263      1.638002
  H      -8.118119      6.124322      3.818307
  H      -6.490081      1.563148      7.196318
  H      -8.941975      1.414145      2.460267
  N      -2.871160      1.718121      3.147378
  N      -3.020613      2.349669      1.978395
  H      -3.789542      1.942374      1.388561
  H      -2.138379      2.427287      1.459802
  H      -4.018645      4.200315      1.704449
91
Coordinates from ORCA-job orca E -6725.240803193909
  N      -1.910034     -0.133488      5.419160
  Mo     -3.218907      1.371735      4.858549
  N      -4.491964      1.410313      6.569409
  C      -3.984368      1.893367      7.853010
  C      -2.464872      1.829457      7.826235
  N      -1.879429      2.217417      6.494459
  C      -0.537888      1.558822      6.339138
  C      -0.701522      0.042393      6.191316
  C      -1.745368      3.694995      6.300161
  C      -3.063024      4.347504      5.908533
  N      -3.726317      3.514723      4.907372
  H       0.177406     -0.362634      5.664674
  H      -0.769745     -0.474093      7.161720
  H      -0.094186      1.966832      5.421980
  H       0.115585      1.817306      7.187836
  H      -3.735736      4.443871      6.775010
  H      -2.874817      5.362504      5.529946
  H      -1.330190      4.158321      7.209643
  H      -1.023342      3.835818      5.484173
  H      -4.342057      1.273368      8.693424
  H      -4.330263      2.921883      8.048841
  H      -2.156284      0.794366      8.010669
  H      -2.019213      2.458844      8.613060
  C      -6.917392      0.786026     -1.031907
  C      -6.073850      0.748524      0.209213
  O      -5.052851      1.449329      0.281977
  C      -6.478316     -0.144786      1.324629
  C      -7.764347     -0.716177      1.382386
  C      -8.133099     -1.517613      2.455332
  C      -7.204760     -1.783108      3.457852
  F      -7.590400     -2.550518      4.483235
  C      -5.899545     -1.256971      3.425357
  C      -4.872122     -1.665252      4.420630
  O      -4.868444     -2.766050      4.960356
  N      -3.833359     -0.742720      4.639304
  C      -2.720319     -1.157909      5.265707
  C      -5.570057     -0.424429      2.353230
  C      -8.727939      9.433525     -0.821976
  C      -8.068132      8.156986     -0.366632
  O      -8.288750      7.085845     -0.925656
  C      -7.133226      8.211449      0.804815
  C      -7.026740      9.332362      1.643849
  C      -6.197282      9.304090      2.762278
  C      -5.477346      8.149201      3.044737
  F      -4.676157      8.151822      4.124814
  C      -5.541111      7.013408      2.216901
  C      -4.871293      5.743131      2.534361
  O      -4.529143      5.035646      1.448509
  N      -4.688926      5.354598      3.763457
  C      -4.457805      4.032302      3.969413
  C      -6.370418      7.075917      1.090812
  C     -10.331610      4.203869     -0.281115
  C      -9.771235      3.102310      0.580873
  O      -9.817655      1.925557      0.221078
  C      -9.137535      3.465458      1.886016
  C      -8.926455      4.799595      2.272497
  C      -8.309226      5.092915      3.485564
  C      -7.885501      4.042058      4.290983
  F      -7.294312      4.345395      5.473116
  C      -8.070384      2.697401      3.944259
  C      -7.606153      1.572476      4.837231
  O      -8.377587      0.680439      5.183806
  N      -6.257157      1.622611      5.117337
  C      -5.806301      1.513893      6.340193
  C      -8.728113      2.433991      2.743525
  H      -7.923563      1.168801     -0.796745
  H      -6.444010      1.432717     -1.777741
  H      -7.052280     -0.226468     -1.440543
  H      -8.498543     -0.500539      0.606627
  H      -9.135550     -1.936780      2.538099
  H      -2.545678     -2.190828      5.596542
  H      -4.561628     -0.018237      2.304257
  H      -9.391241      9.824456     -0.034444
  H      -7.979096     10.213069     -1.027560
  H      -9.317737      9.235745     -1.722838
  H      -7.600612     10.235555      1.435888
  H      -6.099011     10.164362      3.424344
  H      -4.998723      3.311974      3.343349
  H      -6.461516      6.208748      0.437294
  H     -10.777830      3.767784     -1.180844
  H      -9.542270      4.916160     -0.569517
  H     -11.093210      4.778998      0.267472
  H      -9.238168      5.618175      1.624086
  H      -8.148382      6.119657      3.815400
  H      -6.487950      1.580010      7.206129
  H      -8.918546      1.401132      2.453604
  N      -2.881005      1.714984      3.146009
  N      -3.036100      2.341951      1.975880
  H      -3.811448      1.937747      1.393944
  H      -2.157332      2.414805      1.450924
  H      -4.045284      4.204206      1.696825
91
Coordinates from ORCA-job orca E -6725.240828945231
  N      -1.904756     -0.130378      5.427428
  Mo     -3.215405      1.370187      4.859411
  N      -4.495341      1.410094      6.564367
  C      -3.992522      1.882571      7.853481
  C      -2.472933      1.818141      7.831665
  N      -1.884161      2.216889      6.505000
  C      -0.538933      1.565760      6.350345
  C      -0.694179      0.048800      6.195078
  C      -1.756951      3.696252      6.320459
  C      -3.074272      4.342945      5.915820
  N      -3.719215      3.511881      4.901472
  H       0.185073     -0.348531      5.663076
  H      -0.755656     -0.472978      7.163112
  H      -0.094652      1.980338      5.436452
  H       0.111156      1.823393      7.201954
  H      -3.758920      4.430504      6.773919
  H      -2.887527      5.361195      5.545240
  H      -1.355617      4.157164      7.237346
  H      -1.026026      3.846345      5.514151
  H      -4.353680      1.256288      8.687729
  H      -4.338281      2.909826      8.056362
  H      -2.164862      0.781615      8.008792
  H      -2.030207      2.441307      8.625105
  C      -6.938640      0.807350     -1.010336
  C      -6.085524      0.760878      0.223615
  O      -5.070129      1.470017      0.297585
  C      -6.480342     -0.141210      1.335056
  C      -7.763567     -0.718822      1.395288
  C      -8.123427     -1.529552      2.464267
  C      -7.188849     -1.797804      3.460261
  F      -7.565420     -2.573893      4.482570
  C      -5.886400     -1.265426      3.424894
  C      -4.852207     -1.676509      4.412106
  O      -4.837058     -2.784651      4.936663
  N      -3.822151     -0.747969      4.641119
  C      -2.706206     -1.160675      5.262141
  C      -5.565770     -0.424005      2.357239
  C      -8.729141      9.419285     -0.831932
  C      -8.063131      8.145156     -0.378936
  O      -8.285106      7.072470     -0.934438
  C      -7.130970      8.201677      0.794646
  C      -7.031222      9.321650      1.635813
  C      -6.204267      9.294769      2.756040
  C      -5.480034      8.142446      3.038356
  F      -4.681556      8.147423      4.120360
  C      -5.536979      7.007685      2.208498
  C      -4.861815      5.739710      2.524527
  O      -4.520497      5.032511      1.438918
  N      -4.679294      5.350623      3.754320
  C      -4.444575      4.029369      3.959202
  C      -6.364121      7.068999      1.080623
  C     -10.351988      4.229477     -0.273291
  C      -9.791566      3.123404      0.583037
  O      -9.850717      1.947096      0.223739
  C      -9.144891      3.481256      1.883205
  C      -8.921421      4.813663      2.268397
  C      -8.293075      5.102251      3.476765
  C      -7.870663      4.048451      4.279039
  F      -7.269013      4.347784      5.456878
  C      -8.066998      2.705228      3.933088
  C      -7.603711      1.576382      4.821409
  O      -8.377002      0.685531      5.167190
  N      -6.255675      1.625940      5.106499
  C      -5.808912      1.513729      6.330591
  C      -8.735830      2.446878      2.737163
  H      -7.945521      1.180846     -0.763091
  H      -6.474888      1.465591     -1.752015
  H      -7.070073     -0.201110     -1.429962
  H      -8.502393     -0.501197      0.624406
  H      -9.123600     -1.953688      2.549132
  H      -2.521995     -2.196215      5.579445
  H      -4.559392     -0.012982      2.306821
  H      -9.394657      9.805352     -0.043757
  H      -7.984275     10.202985     -1.035854
  H      -9.318080      9.220235     -1.733082
  H      -7.608610     10.222714      1.428253
  H      -6.111212     10.154110      3.420078
  H      -4.976162      3.307873      3.326609
  H      -6.450418      6.202522      0.425713
  H     -10.811169      3.796796     -1.168123
  H      -9.559240      4.934468     -0.570290
  H     -11.102725      4.811408      0.282971
  H      -9.232361      5.634636      1.622665
  H      -8.122807      6.127720      3.804985
  H      -6.493641      1.576734      7.194267
  H      -8.935715      1.415316      2.449436
  N      -2.872905      1.706501      3.146086
  N      -3.016835      2.329115      1.972738
  H      -3.791681      1.929343      1.386223
  H      -2.134344      2.400535      1.454122
  H      -4.033173      4.200617      1.689388
91
Coordinates from ORCA-job orca E -6725.240834201046
  N      -1.901458     -0.139348      5.435680
  Mo     -3.206967      1.361651      4.859818
  N      -4.492809      1.401642      6.560290
  C      -3.993792      1.881077      7.848576
  C      -2.474325      1.817463      7.832261
  N      -1.880986      2.210930      6.505913
  C      -0.536216      1.556824      6.358112
  C      -0.694091      0.039675      6.208348
  C      -1.750846      3.689430      6.316207
  C      -3.067028      4.337590      5.910196
  N      -3.714891      3.503673      4.899898
  H       0.186731     -0.362276      5.682477
  H      -0.761737     -0.477617      7.178376
  H      -0.088242      1.967147      5.444101
  H       0.111243      1.816603      7.211025
  H      -3.750728      4.430113      6.768452
  H      -2.878202      5.353870      5.535315
  H      -1.347882      4.152663      7.231215
  H      -1.020174      3.835089      5.508873
  H      -4.357677      1.259336      8.685035
  H      -4.340621      2.909230      8.044690
  H      -2.166468      0.781744      8.014667
  H      -2.034405      2.444115      8.624506
  C      -6.936853      0.865376     -0.993243
  C      -6.074535      0.791903      0.232772
  O      -5.055230      1.494766      0.311397
  C      -6.469433     -0.121832      1.334529
  C      -7.754293     -0.695799      1.391928
  C      -8.115135     -1.514272      2.454743
  C      -7.180281     -1.792996      3.447596
  F      -7.558703     -2.573947      4.465354
  C      -5.875939     -1.265039      3.414178
  C      -4.841772     -1.684178      4.398091
  O      -4.835970     -2.790554      4.926697
  N      -3.813914     -0.755690      4.637385
  C      -2.701978     -1.169173      5.266844
  C      -5.553853     -0.417092      2.352276
  C      -8.721977      9.378176     -0.874241
  C      -8.053528      8.108559     -0.412189
  O      -8.251019      7.036707     -0.978391
  C      -7.137039      8.171405      0.773428
  C      -7.059078      9.290056      1.618806
  C      -6.246047      9.268244      2.749283
  C      -5.513961      8.122361      3.037786
  F      -4.729588      8.132558      4.130066
  C      -5.549374      6.989308      2.204410
  C      -4.864560      5.727607      2.523829
  O      -4.511860      5.025386      1.438143
  N      -4.682388      5.339052      3.753637
  C      -4.442384      4.018512      3.957926
  C      -6.362641      7.045748      1.066150
  C     -10.369528      4.267996     -0.244374
  C      -9.807666      3.154649      0.601624
  O      -9.871513      1.981019      0.234464
  C      -9.152419      3.502141      1.900265
  C      -8.925379      4.831554      2.293676
  C      -8.292120      5.110985      3.501652
  C      -7.868391      4.050999      4.295013
  F      -7.263997      4.341252      5.473778
  C      -8.066327      2.710461      3.939754
  C      -7.602504      1.575022      4.819318
  O      -8.375370      0.681171      5.158009
  N      -6.253927      1.620844      5.102029
  C      -5.806338      1.505083      6.325226
  C      -8.739994      2.461147      2.744676
  H      -7.938694      1.242382     -0.731732
  H      -6.473717      1.532938     -1.726993
  H      -7.079616     -0.134747     -1.428846
  H      -8.494272     -0.467936      0.625191
  H      -9.116891     -1.934954      2.538170
  H      -2.520371     -2.204848      5.585036
  H      -4.546724     -0.007706      2.304433
  H      -9.405823      9.755795     -0.097817
  H      -7.980622     10.169255     -1.061865
  H      -9.291856      9.176534     -1.787008
  H      -7.642478     10.186047      1.406181
  H      -6.169876     10.126707      3.416592
  H      -4.972571      3.295068      3.326314
  H      -6.430809      6.180616      0.406942
  H     -10.833805      3.842682     -1.140121
  H      -9.576910      4.973596     -0.540174
  H     -11.116521      4.847286      0.319586
  H      -9.238875      5.657494      1.655480
  H      -8.119881      6.133838      3.836918
  H      -6.490632      1.569501      7.189112
  H      -8.942806      1.431767      2.450895
  N      -2.855717      1.699458      3.148354
  N      -2.998630      2.322158      1.975702
  H      -3.772965      1.923858      1.387342
  H      -2.115884      2.396068      1.457971
  H      -4.028277      4.195449      1.693111
91
Coordinates from ORCA-job orca E -6725.240856659419
  N      -1.904482     -0.136429      5.435010
  Mo     -3.209794      1.365859      4.860171
  N      -4.493568      1.408422      6.562056
  C      -3.992545      1.887124      7.849788
  C      -2.473224      1.820381      7.831892
  N      -1.880666      2.214041      6.505273
  C      -0.536732      1.559125      6.355711
  C      -0.695667      0.042140      6.205507
  C      -1.749278      3.692557      6.316370
  C      -3.064572      4.341997      5.910094
  N      -3.713032      3.508841      4.899799
  H       0.184074     -0.359646      5.677720
  H      -0.761627     -0.475804      7.175324
  H      -0.089614      1.969600      5.441349
  H       0.112033      1.818093      7.207895
  H      -3.748233      4.435090      6.768345
  H      -2.874844      5.358121      5.535300
  H      -1.346482      4.154986      7.231843
  H      -1.018096      3.838047      5.509459
  H      -4.356787      1.266218      8.686719
  H      -4.337138      2.916016      8.046200
  H      -2.167384      0.783807      8.012698
  H      -2.031244      2.445258      8.624385
  C      -6.937891      0.837744     -1.001252
  C      -6.079167      0.776008      0.228013
  O      -5.060261      1.479760      0.303754
  C      -6.474495     -0.132180      1.334272
  C      -7.758816     -0.707258      1.392958
  C      -8.119913     -1.521109      2.459187
  C      -7.185604     -1.794573      3.453970
  F      -7.564082     -2.571741      4.474725
  C      -5.881807     -1.265399      3.419548
  C      -4.848333     -1.680278      4.405919
  O      -4.837868     -2.787977      4.931650
  N      -3.819451     -0.751826      4.640934
  C      -2.706268     -1.165405      5.267158
  C      -5.559654     -0.421557      2.354391
  C      -8.728012      9.403966     -0.847674
  C      -8.060994      8.131393     -0.391764
  O      -8.269325      7.060204     -0.955341
  C      -7.135504      8.189580      0.787072
  C      -7.045595      9.307775      1.631761
  C      -6.224958      9.281586      2.756640
  C      -5.497141      8.131777      3.040129
  F      -4.705376      8.137520      4.127007
  C      -5.544205      6.998951      2.206896
  C      -4.865050      5.733400      2.523014
  O      -4.517999      5.030375      1.435830
  N      -4.678602      5.344834      3.752164
  C      -4.440887      4.023811      3.957587
  C      -6.364986      7.059824      1.074310
  C     -10.358035      4.242660     -0.264219
  C      -9.801458      3.133549      0.590748
  O      -9.862253      1.958208      0.228652
  C      -9.150408      3.487967      1.889663
  C      -8.926623      4.819430      2.277818
  C      -8.296445      5.105093      3.485874
  C      -7.872125      4.049364      4.284615
  F      -7.270050      4.345848      5.463020
  C      -8.067503      2.706976      3.935049
  C      -7.603272      1.575921      4.820175
  O      -8.375960      0.683433      5.162969
  N      -6.255074      1.624436      5.104230
  C      -5.807186      1.512499      6.327720
  C      -8.738546      2.451418      2.739767
  H      -7.940970      1.215777     -0.745694
  H      -6.473807      1.499238     -1.739901
  H      -7.077968     -0.166430     -1.428298
  H      -8.498064     -0.484325      0.624071
  H      -9.121287     -1.942510      2.543511
  H      -2.524477     -2.201015      5.585497
  H      -4.552753     -0.011741      2.305335
  H      -9.402943      9.784545     -0.064912
  H      -7.984961     10.191790     -1.042179
  H      -9.307201      9.204873     -1.755123
  H      -7.625863     10.206760      1.423247
  H      -6.139662     10.139548      3.423492
  H      -4.972938      3.300462      3.327441
  H      -6.443241      6.194897      0.416253
  H     -10.816874      3.812887     -1.160638
  H      -9.563514      4.946772     -0.558592
  H     -11.108462      4.824874      0.292134
  H      -9.239850      5.641985      1.635160
  H      -8.126537      6.129618      3.816970
  H      -6.491237      1.577629      7.191794
  H      -8.938878      1.420537      2.449663
  N      -2.861722      1.700715      3.147416
  N      -3.005502      2.320295      1.973221
  H      -3.782782      1.923389      1.388215
  H      -2.123644      2.389226      1.453292
  H      -4.034373      4.198757      1.687881
91
Coordinates from ORCA-job orca E -6725.240857614917
  N      -1.908210     -0.138356      5.439890
  Mo     -3.208466      1.366522      4.862304
  N      -4.493450      1.412399      6.562633
  C      -3.992560      1.894105      7.849359
  C      -2.473427      1.823284      7.833380
  N      -1.878300      2.213232      6.506717
  C      -0.535915      1.554202      6.358851
  C      -0.698848      0.037465      6.210061
  C      -1.742408      3.691048      6.316046
  C      -3.055736      4.344065      5.908784
  N      -3.707123      3.510781      4.900474
  H       0.179810     -0.367554      5.682934
  H      -0.766395     -0.479094      7.180514
  H      -0.087023      1.962477      5.444376
  H       0.112935      1.812334      7.211225
  H      -3.738941      4.441604      6.766906
  H      -2.862470      5.358681      5.531676
  H      -1.338268      4.153346      7.230992
  H      -1.010668      3.833324      5.509067
  H      -4.359429      1.276991      8.687959
  H      -4.334675      2.924543      8.041943
  H      -2.170633      0.786189      8.016291
  H      -2.030689      2.448340      8.625312
  C      -6.935216      0.840019     -1.004994
  C      -6.079505      0.780568      0.226498
  O      -5.059360      1.482596      0.301859
  C      -6.475665     -0.127325      1.332666
  C      -7.759995     -0.702409      1.390281
  C      -8.121879     -1.516711      2.455866
  C      -7.188280     -1.790789      3.451113
  F      -7.567319     -2.568802      4.470973
  C      -5.884414     -1.261640      3.417893
  C      -4.851677     -1.678068      4.404507
  O      -4.840260     -2.787978      4.925655
  N      -3.823024     -0.750360      4.642915
  C      -2.710303     -1.166384      5.269253
  C      -5.561577     -0.416988      2.353576
  C      -8.732067      9.401423     -0.841503
  C      -8.061266      8.130081     -0.387705
  O      -8.271351      7.058081     -0.949032
  C      -7.135244      8.189389      0.790681
  C      -7.045454      9.308234      1.634585
  C      -6.223925      9.283216      2.758793
  C      -5.495139      8.134064      3.042579
  F      -4.702566      8.141583      4.128811
  C      -5.542026      7.000567      2.210157
  C      -4.861497      5.735846      2.526064
  O      -4.522667      5.029024      1.438686
  N      -4.672066      5.347483      3.754791
  C      -4.435467      4.026190      3.959136
  C      -6.364059      7.060239      1.078284
  C     -10.366017      4.232618     -0.266185
  C      -9.803407      3.126194      0.588363
  O      -9.868350      1.949569      0.231185
  C      -9.151575      3.483601      1.886077
  C      -8.928325      4.815939      2.271689
  C      -8.296905      5.104234      3.478516
  C      -7.871115      4.050182      4.278675
  F      -7.267217      4.349285      5.455431
  C      -8.066691      2.707018      3.932073
  C      -7.602293      1.577489      4.819005
  O      -8.374068      0.683602      5.160213
  N      -6.254428      1.627081      5.103953
  C      -5.806940      1.517096      6.327612
  C      -8.738610      2.448925      2.737834
  H      -7.939271      1.217451     -0.752868
  H      -6.469570      1.501068     -1.743073
  H      -7.073498     -0.164701     -1.431318
  H      -8.498591     -0.479555      0.620692
  H      -9.123250     -1.938334      2.539106
  H      -2.529347     -2.202994      5.584760
  H      -4.554490     -0.007593      2.305368
  H      -9.405762      9.780405     -0.056859
  H      -7.991229     10.190858     -1.037808
  H      -9.313279      9.201345     -1.747445
  H      -7.626320     10.206787      1.425845
  H      -6.138528     10.141688      3.424978
  H      -4.968552      3.303025      3.329563
  H      -6.442559      6.194684      0.420912
  H     -10.828372      3.800111     -1.159475
  H      -9.574162      4.937408     -0.565955
  H     -11.114924      4.814590      0.292528
  H      -9.242630      5.637184      1.627944
  H      -8.127256      6.129587      3.807627
  H      -6.491178      1.583583      7.191467
  H      -8.938825      1.417340      2.450113
  N      -2.858032      1.699328      3.149527
  N      -3.000661      2.316681      1.974434
  H      -3.780186      1.922404      1.390490
  H      -2.119053      2.383074      1.453787
  H      -4.035977      4.199072      1.688242
91
Coordinates from ORCA-job orca E -6725.240866741445
  N      -1.907376     -0.137404      5.442074
  Mo     -3.208237      1.366101      4.861979
  N      -4.493902      1.412473      6.561753
  C      -3.993533      1.894146      7.848694
  C      -2.474453      1.823271      7.833144
  N      -1.879277      2.214657      6.506964
  C      -0.536202      1.557224      6.359244
  C      -0.697437      0.040216      6.210856
  C      -1.745017      3.692716      6.317028
  C      -3.058446      4.344196      5.907523
  N      -3.706903      3.510193      4.898049
  H       0.181215     -0.363737      5.682901
  H      -0.763355     -0.476289      7.181459
  H      -0.087822      1.965882      5.444690
  H       0.112416      1.816254      7.211531
  H      -3.743359      4.440763      6.764398
  H      -2.865800      5.359082      5.530833
  H      -1.343122      4.155319      7.232800
  H      -1.012093      3.836223      5.511339
  H      -4.360813      1.277173      8.687223
  H      -4.335628      2.924627      8.041209
  H      -2.171858      0.785913      8.014774
  H      -2.031846      2.447365      8.625909
  C      -6.938078      0.835830     -1.001804
  C      -6.080348      0.775964      0.228286
  O      -5.061503      1.479918      0.303748
  C      -6.475280     -0.132057      1.334778
  C      -7.759262     -0.707794      1.393538
  C      -8.119861     -1.522075      2.459625
  C      -7.185231     -1.795452      3.454087
  F      -7.562894     -2.573398      4.474581
  C      -5.881666     -1.265759      3.419504
  C      -4.847448     -1.681815      4.404643
  O      -4.834522     -2.792092      4.925055
  N      -3.821055     -0.752163      4.644362
  C      -2.707635     -1.166586      5.270143
  C      -5.560262     -0.420941      2.355008
  C      -8.732091      9.407659     -0.840549
  C      -8.063298      8.134824     -0.387991
  O      -8.272296      7.064345     -0.952611
  C      -7.137198      8.191516      0.790494
  C      -7.046142      9.309085      1.635931
  C      -6.224558      9.281618      2.760034
  C      -5.496970      8.131309      3.042171
  F      -4.704272      8.136526      4.128267
  C      -5.545169      6.998932      2.208215
  C      -4.865986      5.733185      2.522669
  O      -4.527829      5.027185      1.434355
  N      -4.673707      5.345090      3.751099
  C      -4.435429      4.024077      3.955763
  C      -6.367189      7.061163      1.076465
  C     -10.360204      4.240211     -0.267804
  C      -9.801512      3.132108      0.587122
  O      -9.863791      1.956296      0.226809
  C      -9.150665      3.487608      1.885847
  C      -8.927890      4.819391      2.273583
  C      -8.297255      5.105927      3.481192
  C      -7.871440      4.050777      4.279906
  F      -7.268196      4.348281      5.457412
  C      -8.066460      2.708107      3.931126
  C      -7.601841      1.577345      4.816365
  O      -8.373663      0.683064      5.156552
  N      -6.254301      1.627396      5.102519
  C      -5.807313      1.516861      6.326296
  C      -8.737949      2.451718      2.736269
  H      -7.941919      1.212699     -0.747644
  H      -6.474126      1.497366     -1.740497
  H      -7.076569     -0.168763     -1.428317
  H      -8.498637     -0.485573      0.624516
  H      -9.120968     -1.944129      2.543818
  H      -2.524713     -2.203259      5.584325
  H      -4.553450     -0.010986      2.305933
  H      -9.406354      9.785950     -0.056070
  H      -7.990242     10.196702     -1.034622
  H      -9.312367      9.209720     -1.747562
  H      -7.626027     10.208552      1.428413
  H      -6.138107     10.139066      3.427401
  H      -4.966724      3.299654      3.326136
  H      -6.446727      6.196712      0.417933
  H     -10.818679      3.809481     -1.163951
  H      -9.566967      4.945553     -0.562598
  H     -11.111545      4.821209      0.288631
  H      -9.241805      5.641533      1.630783
  H      -8.128015      6.130753      3.811990
  H      -6.491855      1.583155      7.189940
  H      -8.937766      1.420582      2.446719
  N      -2.858199      1.696059      3.148424
  N      -3.000480      2.309727      1.971532
  H      -3.782666      1.917675      1.389919
  H      -2.119427      2.371569      1.449470
  H      -4.038756      4.197848      1.683043
91
Coordinates from ORCA-job orca E -6725.240869920368
  N      -1.907915     -0.138546      5.445549
  Mo     -3.205962      1.365922      4.862597
  N      -4.493543      1.412956      6.561050
  C      -3.994154      1.894994      7.848260
  C      -2.475223      1.822332      7.834579
  N      -1.878224      2.213627      6.509244
  C      -0.535604      1.555101      6.362921
  C      -0.698043      0.038206      6.214599
  C      -1.742515      3.691581      6.319676
  C      -3.054644      4.344298      5.907776
  N      -3.702276      3.510592      4.897632
  H       0.180436     -0.366536      5.686981
  H      -0.764714     -0.478109      7.185262
  H      -0.086026      1.963336      5.448768
  H       0.112391      1.813672      7.215817
  H      -3.740965      4.441890      6.763394
  H      -2.860255      5.358835      5.531053
  H      -1.341801      4.153893      7.236110
  H      -1.008159      3.834608      5.515213
  H      -4.363284      1.279222      8.686862
  H      -4.335198      2.926052      8.039576
  H      -2.174174      0.784467      8.015955
  H      -2.032764      2.445468      8.628178
  C      -6.940576      0.847888     -0.997626
  C      -6.080918      0.783608      0.230834
  O      -5.061515      1.486717      0.306827
  C      -6.474861     -0.127304      1.335219
  C      -7.758689     -0.703406      1.393272
  C      -8.118873     -1.519612      2.458002
  C      -7.183932     -1.794540      3.451719
  F      -7.561531     -2.573422      4.471495
  C      -5.880345     -1.264900      3.417540
  C      -4.845788     -1.682486      4.401744
  O      -4.832463     -2.793993      4.919598
  N      -3.820438     -0.752573      4.644375
  C      -2.707793     -1.167604      5.271107
  C      -5.559297     -0.418318      2.354386
  C      -8.734903      9.401930     -0.842330
  C      -8.063805      8.130093     -0.390366
  O      -8.270475      7.059592     -0.955783
  C      -7.138289      8.187842      0.788588
  C      -7.049573      9.305099      1.634737
  C      -6.228713      9.278181      2.759362
  C      -5.499554      8.128817      3.041394
  F      -4.707966      8.134690      4.128252
  C      -5.545340      6.996807      2.206721
  C      -4.864767      5.731898      2.521075
  O      -4.526518      5.026295      1.432264
  N      -4.668831      5.345067      3.749420
  C      -4.430196      4.024187      3.954618
  C      -6.366607      7.058649      1.074346
  C     -10.363584      4.240977     -0.267025
  C      -9.808342      3.132248      0.589374
  O      -9.872972      1.956320      0.229881
  C      -9.153780      3.487793      1.886177
  C      -8.927970      4.819598      2.271949
  C      -8.294848      5.106456      3.478142
  C      -7.869262      4.051557      4.277301
  F      -7.264293      4.349525      5.453819
  C      -8.066382      2.708809      3.929994
  C      -7.601349      1.578239      4.815221
  O      -8.373236      0.684276      5.156186
  N      -6.253742      1.628283      5.101081
  C      -5.806850      1.517424      6.324879
  C      -8.740705      2.452150      2.736778
  H      -7.943719      1.224785     -0.740599
  H      -6.477321      1.511332     -1.735039
  H      -7.080532     -0.155300     -1.426992
  H      -8.498423     -0.479664      0.625062
  H      -9.120018     -1.941626      2.541923
  H      -2.525056     -2.204680      5.584017
  H      -4.552589     -0.008077      2.305972
  H      -9.410173      9.778367     -0.057828
  H      -7.994565     10.192572     -1.035661
  H      -9.314467      9.203451     -1.749680
  H      -7.630838     10.203719      1.427436
  H      -6.144072     10.135268      3.427431
  H      -4.960825      3.299205      3.325136
  H      -6.444449      6.194545      0.415194
  H     -10.823341      3.810484     -1.162632
  H      -9.568182      4.943537     -0.562697
  H     -11.113212      4.824920      0.288623
  H      -9.241996      5.641576      1.628977
  H      -8.123695      6.131319      3.807532
  H      -6.491695      1.583555      7.188293
  H      -8.942627      1.420930      2.448906
  N      -2.853746      1.694693      3.149298
  N      -2.995152      2.305758      1.971289
  H      -3.778592      1.915088      1.390349
  H      -2.114191      2.365058      1.448833
  H      -4.039635      4.196867      1.682365
91
Coordinates from ORCA-job orca E -6725.240870947262
  N      -1.908256     -0.138983      5.447784
  Mo     -3.204664      1.365763      4.862777
  N      -4.493497      1.413132      6.560378
  C      -3.994829      1.896164      7.847524
  C      -2.475980      1.822563      7.835078
  N      -1.877853      2.213536      6.510159
  C      -0.535405      1.554441      6.364801
  C      -0.698440      0.037545      6.216971
  C      -1.741539      3.691400      6.320476
  C      -3.053027      4.344567      5.907156
  N      -3.700084      3.510652      4.896869
  H       0.179977     -0.367795      5.689714
  H      -0.765559     -0.478355      7.187825
  H      -0.085214      1.962185      5.450730
  H       0.112252      1.813072      7.217934
  H      -3.740112      4.442954      6.762065
  H      -2.857740      5.358804      5.530095
  H      -1.341520      4.153807      7.237162
  H      -1.006433      3.834092      5.516631
  H      -4.365098      1.281591      8.686509
  H      -4.335353      2.927655      8.037458
  H      -2.175844      0.784460      8.016582
  H      -2.033671      2.445350      8.629035
  C      -6.941658      0.850734     -0.995667
  C      -6.081424      0.785180      0.232329
  O      -5.062645      1.489116      0.309118
  C      -6.474774     -0.126912      1.335918
  C      -7.758339     -0.703626      1.393689
  C      -8.118011     -1.520811      2.457857
  C      -7.182821     -1.795991      3.451268
  F      -7.559910     -2.575752      4.470587
  C      -5.879487     -1.265748      3.417294
  C      -4.844546     -1.683599      4.400966
  O      -4.830655     -2.795620      4.917748
  N      -3.819973     -0.753180      4.644678
  C      -2.707609     -1.168120      5.272158
  C      -5.558980     -0.418231      2.354773
  C      -8.736355      9.400075     -0.842708
  C      -8.064692      8.128443     -0.391007
  O      -8.268955      7.058420     -0.958188
  C      -7.139450      8.186310      0.788179
  C      -7.051760      9.303207      1.634926
  C      -6.231063      9.276324      2.759664
  C      -5.501065      8.127388      3.041248
  F      -4.709661      8.133402      4.128195
  C      -5.545827      6.995720      2.205977
  C      -4.864416      5.731272      2.519859
  O      -4.527323      5.025591      1.430532
  N      -4.666521      5.344688      3.748003
  C      -4.427542      4.023821      3.953159
  C      -6.366939      7.057585      1.073469
  C     -10.365193      4.244379     -0.266255
  C      -9.807672      3.135427      0.588373
  O      -9.873190      1.959597      0.228689
  C      -9.153568      3.490209      1.885609
  C      -8.928601      4.821800      2.272604
  C      -8.295603      5.107935      3.479037
  C      -7.869304      4.052577      4.277211
  F      -7.264570      4.349927      5.454001
  C      -8.065807      2.710009      3.928786
  C      -7.600416      1.578912      4.813163
  O      -8.372050      0.684343      5.153196
  N      -6.252940      1.629346      5.099495
  C      -5.806647      1.517750      6.323471
  C      -8.740056      2.454055      2.735388
  H      -7.944898      1.226697     -0.737730
  H      -6.479097      1.515389     -1.732434
  H      -7.081213     -0.151981     -1.426262
  H      -8.498281     -0.479649      0.625753
  H      -9.118950     -1.943357      2.541558
  H      -2.524697     -2.205275      5.584669
  H      -4.552470     -0.007509      2.306676
  H      -9.412260      9.775655     -0.058362
  H      -7.996408     10.191292     -1.035234
  H      -9.315248      9.201713     -1.750511
  H      -7.633669     10.201486      1.427973
  H      -6.147117     10.133113      3.428205
  H      -4.957347      3.298350      3.323532
  H      -6.444046      6.193812      0.413799
  H     -10.825042      3.814289     -1.162009
  H      -9.571105      4.948517     -0.561643
  H     -11.115309      4.826529      0.290640
  H      -9.243068      5.644190      1.630372
  H      -8.125160      6.132613      3.809412
  H      -6.491985      1.583601      7.186530
  H      -8.941520      1.422995      2.446649
  N      -2.851149      1.693300      3.149525
  N      -2.991972      2.301657      1.970237
  H      -3.777751      1.913198      1.390993
  H      -2.111455      2.356513      1.446569
  H      -4.038475      4.196711      1.679689
91
Coordinates from ORCA-job orca E -6725.240872297897
  N      -1.908847     -0.138949      5.448887
  Mo     -3.204057      1.366065      4.863016
  N      -4.493514      1.413195      6.560291
  C      -3.995272      1.896564      7.847490
  C      -2.476432      1.822679      7.835652
  N      -1.877735      2.213480      6.510944
  C      -0.535407      1.553968      6.365891
  C      -0.698921      0.037104      6.218033
  C      -1.741129      3.691285      6.321320
  C      -3.052381      4.344705      5.907493
  N      -3.699102      3.510916      4.896868
  H       0.179328     -0.368602      5.690777
  H      -0.766213     -0.478738      7.188901
  H      -0.084901      1.961545      5.451900
  H       0.112154      1.812423      7.219149
  H      -3.739866      4.443285      6.762060
  H      -2.856647      5.358895      5.530519
  H      -1.341352      4.153678      7.238121
  H      -1.005729      3.833909      5.517725
  H      -4.366024      1.282368      8.686539
  H      -4.335681      2.928190      8.036882
  H      -2.176639      0.784522      8.017378
  H      -2.034271      2.445410      8.629737
  C      -6.941135      0.851467     -0.996196
  C      -6.081776      0.786700      0.232475
  O      -5.063149      1.490853      0.309502
  C      -6.475067     -0.125544      1.335934
  C      -7.758615     -0.702321      1.393646
  C      -8.118149     -1.519856      2.457595
  C      -7.182841     -1.795356      3.450812
  F      -7.559683     -2.575734      4.469752
  C      -5.879528     -1.265068      3.416875
  C      -4.844337     -1.683508      4.400056
  O      -4.830678     -2.795663      4.916581
  N      -3.820064     -0.753014      4.644592
  C      -2.707948     -1.168149      5.272645
  C      -5.559230     -0.417041      2.354700
  C      -8.737550      9.399400     -0.841124
  C      -8.065106      8.127999     -0.389935
  O      -8.270304      7.057692     -0.956233
  C      -7.139374      8.186131      0.788853
  C      -7.051168      9.303369      1.635113
  C      -6.229766      9.276923      2.759336
  C      -5.499640      8.128082      3.040960
  F      -4.707462      8.134634      4.127325
  C      -5.544992      6.996021      2.206220
  C      -4.863251      5.731793      2.520063
  O      -4.529274      5.024533      1.430784
  N      -4.664605      5.345313      3.748151
  C      -4.425906      4.024389      3.952888
  C      -6.366853      7.057429      1.074207
  C     -10.367833      4.242634     -0.266266
  C      -9.809798      3.134124      0.588591
  O      -9.874338      1.958233      0.228887
  C      -9.154652      3.489529      1.885123
  C      -8.929195      4.821293      2.271288
  C      -8.294980      5.107952      3.476990
  C      -7.868051      4.052917      4.275241
  F      -7.261771      4.350816      5.451076
  C      -8.065339      2.710186      3.927788
  C      -7.599814      1.579472      4.812560
  O      -8.371305      0.684799      5.152693
  N      -6.252312      1.630069      5.098732
  C      -5.806527      1.517861      6.322882
  C      -8.740598      2.453755      2.735091
  H      -7.944949      1.226450     -0.739279
  H      -6.478496      1.516484     -1.732583
  H      -7.079394     -0.151407     -1.426846
  H      -8.498594     -0.478187      0.625779
  H      -9.119023     -1.942586      2.541167
  H      -2.524994     -2.205393      5.584813
  H      -4.552701     -0.006373      2.306715
  H      -9.412127      9.775465     -0.055869
  H      -7.997803     10.190420     -1.035230
  H      -9.317882      9.200642     -1.747917
  H      -7.633090     10.201625      1.428102
  H      -6.145271     10.134001      3.427435
  H      -4.955153      3.299022      3.322651
  H      -6.444372      6.193419      0.414841
  H     -10.827613      3.812120     -1.161850
  H      -9.574135      4.947088     -0.561921
  H     -11.118169      4.824528      0.290613
  H      -9.244078      5.643426      1.628943
  H      -8.124108      6.132826      3.806720
  H      -6.492304      1.583289      7.185634
  H      -8.942614      1.422577      2.447169
  N      -2.849681      1.693332      3.149969
  N      -2.990335      2.300294      1.970028
  H      -3.777300      1.912779      1.391718
  H      -2.110100      2.352961      1.445653
  H      -4.038708      4.196591      1.678820
91
Coordinates from ORCA-job orca E -6725.240872395825
  N      -1.908642     -0.138680      5.448521
  Mo     -3.203989      1.366116      4.862766
  N      -4.493631      1.412683      6.560129
  C      -3.995593      1.895532      7.847599
  C      -2.476699      1.822296      7.835756
  N      -1.878084      2.213463      6.511140
  C      -0.535603      1.554315      6.366010
  C      -0.698783      0.037448      6.217788
  C      -1.741974      3.691335      6.321721
  C      -3.053398      4.344352      5.907749
  N      -3.699522      3.510714      4.896580
  H       0.179555     -0.367926      5.690423
  H      -0.765968     -0.478675      7.188508
  H      -0.085132      1.962191      5.452134
  H       0.111860      1.812711      7.219362
  H      -3.741147      4.442326      6.762174
  H      -2.857980      5.358770      5.531223
  H      -1.342542      4.153769      7.238658
  H      -1.006464      3.834360      5.518297
  H      -4.366079      1.280684      8.686285
  H      -4.336430      2.926913      8.037533
  H      -2.176455      0.784268      8.017471
  H      -2.034829      2.445152      8.629907
  C      -6.941081      0.852612     -0.995601
  C      -6.081803      0.787609      0.233115
  O      -5.063015      1.491538      0.310178
  C      -6.474974     -0.125032      1.336280
  C      -7.758492     -0.701920      1.393807
  C      -8.117973     -1.519767      2.457520
  C      -7.182660     -1.795503      3.450674
  F      -7.559561     -2.576084      4.469432
  C      -5.879383     -1.265112      3.416929
  C      -4.844289     -1.683420      4.400282
  O      -4.830425     -2.795568      4.916796
  N      -3.819767     -0.753038      4.644249
  C      -2.707750     -1.168014      5.272546
  C      -5.559120     -0.416800      2.354937
  C      -8.737574      9.399256     -0.841177
  C      -8.065513      8.127776     -0.389641
  O      -8.271696      7.057204     -0.955093
  C      -7.139202      8.186075      0.788678
  C      -7.050508      9.303481      1.634659
  C      -6.228670      9.277190      2.758576
  C      -5.498555      8.128331      3.040123
  F      -4.705970      8.134913      4.126202
  C      -5.544361      6.996136      2.205608
  C      -4.862712      5.731842      2.519464
  O      -4.527798      5.025026      1.430228
  N      -4.664310      5.345380      3.747609
  C      -4.425673      4.024481      3.952322
  C      -6.366649      7.057352      1.073908
  C     -10.368851      4.242160     -0.265829
  C      -9.810189      3.133736      0.588719
  O      -9.875478      1.957754      0.229434
  C      -9.154882      3.489178      1.885151
  C      -8.928849      4.820947      2.270949
  C      -8.294435      5.107664      3.476539
  C      -7.867840      4.052672      4.275016
  F      -7.261484      4.350648      5.450788
  C      -8.065544      2.709920      3.927836
  C      -7.599940      1.579334      4.812721
  O      -8.371537      0.685062      5.153676
  N      -6.252280      1.629834      5.098386
  C      -5.806615      1.517169      6.322602
  C      -8.741109      2.453453      2.735325
  H      -7.945030      1.227309     -0.738750
  H      -6.478431      1.517911     -1.731724
  H      -7.079067     -0.150179     -1.426553
  H      -8.498467     -0.477529      0.626009
  H      -9.118831     -1.942555      2.540989
  H      -2.524721     -2.205100      5.585196
  H      -4.552627     -0.006008      2.307155
  H      -9.411122      9.776505     -0.055615
  H      -7.997350     10.189521     -1.036576
  H      -9.318854      9.200210     -1.747296
  H      -7.632443     10.201750      1.427740
  H      -6.143854     10.134382      3.426486
  H      -4.954690      3.299309      3.321678
  H      -6.444550      6.193208      0.414755
  H     -10.829551      3.811556     -1.160895
  H      -9.575316      4.946428     -0.562359
  H     -11.118548      4.824280      0.291686
  H      -9.243489      5.643042      1.628439
  H      -8.123182      6.132562      3.805968
  H      -6.492576      1.582108      7.185241
  H      -8.943476      1.422266      2.447677
  N      -2.849209      1.693739      3.149965
  N      -2.989790      2.300746      1.970045
  H      -3.776809      1.913239      1.391832
  H      -2.109577      2.353158      1.445609
  H      -4.037992      4.196948      1.678749
91
Coordinates from ORCA-job orca E -6725.240873169528
  N      -1.908327     -0.138425      5.447997
  Mo     -3.203701      1.366247      4.862368
  N      -4.493656      1.412024      6.559798
  C      -3.995887      1.894230      7.847617
  C      -2.476919      1.821884      7.835813
  N      -1.878350      2.213420      6.511312
  C      -0.535765      1.554615      6.366194
  C      -0.698682      0.037755      6.217631
  C      -1.742769      3.691369      6.322038
  C      -3.054368      4.343940      5.908047
  N      -3.699982      3.510543      4.896310
  H       0.179817     -0.367303      5.690297
  H      -0.765954     -0.478662      7.188186
  H      -0.085273      1.962774      5.452454
  H       0.111561      1.812922      7.219675
  H      -3.742262      4.441169      6.762438
  H      -2.859385      5.358629      5.532047
  H      -1.343661      4.153867      7.239087
  H      -1.007187      3.834789      5.518748
  H      -4.366017      1.278533      8.685834
  H      -4.337319      2.925283      8.038239
  H      -2.176055      0.784046      8.017609
  H      -2.035479      2.444993      8.630004
  C      -6.941326      0.853506     -0.994955
  C      -6.082180      0.788557      0.233848
  O      -5.063768      1.492991      0.311278
  C      -6.475175     -0.124463      1.336756
  C      -7.758622     -0.701566      1.394078
  C      -8.118041     -1.519611      2.457634
  C      -7.182748     -1.795385      3.450802
  F      -7.559718     -2.576112      4.469429
  C      -5.879520     -1.264868      3.417231
  C      -4.844577     -1.682980      4.400829
  O      -4.831072     -2.794726      4.918177
  N      -3.819404     -0.752950      4.643675
  C      -2.707689     -1.167724      5.272548
  C      -5.559310     -0.416362      2.355338
  C      -8.737528      9.399657     -0.840524
  C      -8.066145      8.128023     -0.388431
  O      -8.273084      7.057242     -0.953233
  C      -7.138986      8.186499      0.789197
  C      -7.049627      9.304045      1.634900
  C      -6.227066      9.277945      2.758312
  C      -5.496817      8.129108      3.039550
  F      -4.703482      8.135689      4.125095
  C      -5.543221      6.996831      2.205209
  C      -4.861344      5.732545      2.518766
  O      -4.525314      5.026542      1.429416
  N      -4.663593      5.345740      3.746924
  C      -4.425261      4.024776      3.951600
  C      -6.366247      7.057783      1.074062
  C     -10.370501      4.240208     -0.265944
  C      -9.811239      3.132113      0.588616
  O      -9.876627      1.956001      0.229760
  C      -9.155413      3.488024      1.884656
  C      -8.928900      4.819926      2.269693
  C      -8.294062      5.107081      3.474958
  C      -7.867542      4.052389      4.273868
  F      -7.260989      4.350823      5.449420
  C      -8.065605      2.709498      3.927379
  C      -7.599958      1.579353      4.812825
  O      -8.371706      0.685666      5.154971
  N      -6.252060      1.629670      5.097755
  C      -5.806579      1.516463      6.322081
  C      -8.741595      2.452611      2.735205
  H      -7.945655      1.227209     -0.738167
  H      -6.479062      1.519494     -1.730704
  H      -7.078345     -0.149237     -1.426354
  H      -8.498570     -0.477055      0.626292
  H      -9.118861     -1.942507      2.541018
  H      -2.524762     -2.204485      5.586315
  H      -4.552869     -0.005421      2.307703
  H      -9.409714      9.778609     -0.054639
  H      -7.996544     10.188812     -1.037614
  H      -9.319994      9.200266     -1.745799
  H      -7.631660     10.202310      1.428236
  H      -6.141824     10.135256      3.426015
  H      -4.954178      3.299948      3.320474
  H      -6.444658      6.193500      0.415160
  H     -10.831882      3.809298     -1.160512
  H      -9.577191      4.944385     -0.563282
  H     -11.119745      4.822540      0.291961
  H      -9.243546      5.641766      1.626854
  H      -8.122494      6.132106      3.803810
  H      -6.492793      1.580793      7.184561
  H      -8.944326      1.421339      2.448105
  N      -2.848107      1.694411      3.149946
  N      -2.988550      2.301269      1.969918
  H      -3.775836      1.913885      1.391983
  H      -2.108384      2.352987      1.445331
  H      -4.036785      4.197728      1.677996
91
Coordinates from ORCA-job orca E -6725.240873677138
  N      -1.908113     -0.138303      5.448354
  Mo     -3.203517      1.365983      4.862123
  N      -4.493850      1.411600      6.559365
  C      -3.996378      1.893687      7.847352
  C      -2.477357      1.822068      7.835696
  N      -1.878773      2.213671      6.511229
  C      -0.535988      1.555244      6.366307
  C      -0.698482      0.038295      6.217915
  C      -1.743799      3.691657      6.321806
  C      -3.055652      4.343561      5.907541
  N      -3.700591      3.510005      4.895455
  H       0.180096     -0.366562      5.690555
  H      -0.765545     -0.478062      7.188516
  H      -0.085519      1.963424      5.452564
  H       0.111202      1.813809      7.219817
  H      -3.743790      4.440257      6.761802
  H      -2.861160      5.358424      5.531761
  H      -1.345126      4.154435      7.238906
  H      -1.008084      3.835334      5.518682
  H      -4.366277      1.277567      8.685361
  H      -4.338317      2.924526      8.038215
  H      -2.175974      0.784431      8.017749
  H      -2.036327      2.445546      8.629827
  C      -6.941360      0.854072     -0.993856
  C      -6.082016      0.788579      0.234772
  O      -5.063568      1.492953      0.312337
  C      -6.474794     -0.124947      1.337332
  C      -7.758155     -0.702266      1.394536
  C      -8.117401     -1.520666      2.457872
  C      -7.182059     -1.796494      3.450986
  F      -7.558946     -2.577473      4.469456
  C      -5.878929     -1.265731      3.417547
  C      -4.844023     -1.683555      4.401294
  O      -4.830448     -2.795127      4.919005
  N      -3.818858     -0.753415      4.643754
  C      -2.707254     -1.167811      5.273040
  C      -5.558863     -0.416980      2.355800
  C      -8.737411      9.400820     -0.840103
  C      -8.066706      8.128867     -0.387917
  O      -8.274573      7.058057     -0.952330
  C      -7.139067      8.187038      0.789343
  C      -7.048978      9.304552      1.634998
  C      -6.225979      9.278215      2.758093
  C      -5.495986      8.129148      3.039038
  F      -4.702186      8.135428      4.124253
  C      -5.543108      6.996909      2.204707
  C      -4.861398      5.732414      2.517892
  O      -4.525247      5.026838      1.428360
  N      -4.663928      5.345231      3.745963
  C      -4.425418      4.024268      3.950425
  C      -6.366554      7.058074      1.073886
  C     -10.371070      4.240608     -0.265780
  C      -9.811726      3.132414      0.588595
  O      -9.876888      1.956364      0.229487
  C      -9.155780      3.488201      1.884608
  C      -8.928970      4.820057      2.269631
  C      -8.293911      5.107059      3.474815
  C      -7.867456      4.052271      4.273634
  F      -7.260677      4.350578      5.449101
  C      -8.065811      2.709419      3.927153
  C      -7.600122      1.579233      4.812529
  O      -8.372039      0.685968      5.155385
  N      -6.252099      1.629379      5.097095
  C      -5.806737      1.515948      6.321484
  C      -8.742073      2.452697      2.735101
  H      -7.945813      1.227227     -0.736766
  H      -6.479396      1.520673     -1.729235
  H      -7.078043     -0.148461     -1.425866
  H      -8.498153     -0.477657      0.626824
  H      -9.118151     -1.943741      2.541183
  H      -2.523995     -2.204387      5.587226
  H      -4.552518     -0.005790      2.308292
  H      -9.408505      9.780967     -0.053876
  H      -7.995779     10.189094     -1.038324
  H      -9.320830      9.201450     -1.744767
  H      -7.630776     10.203022      1.428557
  H      -6.140224     10.135523      3.425733
  H      -4.953979      3.299481      3.318926
  H      -6.445454      6.193813      0.415007
  H     -10.832430      3.809836     -1.160424
  H      -9.577813      4.944903     -0.562967
  H     -11.120334      4.822785      0.292261
  H      -9.243478      5.641960      1.626802
  H      -8.122082      6.132043      3.803652
  H      -6.493081      1.580102      7.183871
  H      -8.945050      1.421490      2.447966
  N      -2.847130      1.693875      3.149822
  N      -2.987340      2.300092      1.969513
  H      -3.775278      1.913354      1.392100
  H      -2.107292      2.350956      1.444674
  H      -4.036782      4.198004      1.676702
