75
Coordinates from ORCA-job orca E -13838.725534396694
  N      -2.147667      1.056993      5.586687
  Mo     -3.711266      2.326173      5.095560
  N      -4.639283      1.478547      6.841454
  C      -4.401971      2.299328      8.013617
  C      -2.899719      2.515478      8.116270
  N      -2.432424      3.169508      6.873879
  C      -1.011307      2.837628      6.642438
  C      -0.897486      1.358224      6.227201
  C      -2.614021      4.630836      6.993600
  C      -3.182745      5.177654      5.687494
  N      -4.238395      4.279281      5.253031
  H      -0.054487      1.218223      5.538888
  H      -0.737005      0.701282      7.091623
  H      -0.641475      3.472936      5.832610
  H      -0.421272      3.034660      7.544967
  H      -3.586177      6.186787      5.826357
  H      -2.409397      5.209037      4.907806
  H      -3.339046      4.840072      7.784399
  H      -1.672486      5.127090      7.246233
  H      -4.769238      1.766982      8.898472
  H      -4.950882      3.248650      7.927527
  H      -2.429618      1.534715      8.217642
  H      -2.640494      3.118968      8.991829
  C      -2.478362     -0.004552      4.932698
  N      -3.661200      0.189142      4.344470
  C      -4.352146     -0.703785      3.606034
  O      -5.194050     -0.301119      2.790686
  C      -4.099526     -2.154621      3.806070
  C      -4.155427     -3.020643      2.715782
  C      -3.935312     -4.375083      2.894639
  C      -3.673913     -4.883141      4.157038
  C      -3.646652     -4.016497      5.238101
  Br     -3.304822     -4.693255      6.985180
  C      -3.855896     -2.658242      5.082155
  C      -5.420889      4.801852      5.036623
  N      -5.796108      6.022470      5.334913
  C      -7.014306      6.378216      4.834595
  O      -7.505363      5.857684      3.827587
  C      -7.703709      7.459260      5.574614
  C      -8.816875      8.082629      5.015896
  C      -9.506879      9.048195      5.726612
  C      -9.098761      9.398542      7.003467
  C      -7.987771      8.773410      7.546309
  Br     -7.420764      9.235123      9.300542
  C      -7.282084      7.811507      6.852703
  C      -5.746528      1.660138      6.170653
  N      -6.651644      2.593686      6.492465
  C      -7.706305      2.788798      5.701190
  O      -7.856469      2.284536      4.559325
  C      -8.691025      3.765180      6.234097
  C      -8.624999      4.220727      7.547915
  C      -9.517612      5.175875      7.998544
  C     -10.474419      5.698207      7.143841
  C     -10.528464      5.238684      5.838127
  Br    -11.826636      5.958232      4.658989
  C      -9.658327      4.274202      5.373650
  H      -1.847598     -0.888005      4.791024
  H      -4.365801     -2.612701      1.739083
  H      -3.969846     -5.041610      2.047650
  H      -3.501919     -5.938036      4.302290
  H      -3.861220     -2.002168      5.941004
  H      -6.179066      4.164456      4.601155
  H      -9.124485      7.793784      4.021699
  H     -10.370615      9.523970      5.289409
  H      -9.634904     10.144915      7.568873
  H      -6.419128      7.324589      7.278521
  H      -6.051835      0.826522      5.520946
  H      -7.867635      3.810737      8.196962
  H      -9.470918      5.520774      9.019759
  H     -11.170960      6.449547      7.480961
  H      -9.692524      3.919589      4.352917
  N      -2.743337      2.743538      3.244663
  N      -2.175516      2.988379      2.158862
  H      -2.695972      2.997795      1.281590
  H      -1.175498      3.185747      2.119105
75
Coordinates from ORCA-job orca E -13838.752293657095
  N      -2.097690      1.065719      5.593689
  Mo     -3.655974      2.340343      5.099529
  N      -4.583368      1.515841      6.845265
  C      -4.337874      2.332824      8.031217
  C      -2.841308      2.535464      8.125019
  N      -2.370576      3.189813      6.869968
  C      -0.945399      2.848880      6.629336
  C      -0.841188      1.370024      6.228902
  C      -2.544552      4.666036      6.975535
  C      -3.096454      5.206429      5.666345
  N      -4.166196      4.308699      5.239894
  H       0.002053      1.220496      5.538649
  H      -0.681918      0.719223      7.101854
  H      -0.578527      3.481332      5.811723
  H      -0.350587      3.055064      7.530797
  H      -3.489895      6.223448      5.791036
  H      -2.315408      5.220828      4.889803
  H      -3.269753      4.884514      7.767768
  H      -1.593922      5.152432      7.230653
  H      -4.705099      1.799793      8.921766
  H      -4.881560      3.288020      7.955790
  H      -2.369317      1.551130      8.221170
  H      -2.567707      3.140871      9.000030
  C      -2.455510     -0.008326      4.945150
  N      -3.641083      0.204153      4.361931
  C      -4.369837     -0.685932      3.616466
  O      -5.206584     -0.271333      2.807890
  C      -4.139789     -2.147116      3.817535
  C      -4.222714     -3.008738      2.718067
  C      -4.030866     -4.374903      2.890739
  C      -3.771904     -4.900004      4.156402
  C      -3.716879     -4.036408      5.246640
  Br     -3.382327     -4.733647      6.989256
  C      -3.896242     -2.666150      5.096789
  C      -5.368102      4.822199      4.995757
  N      -5.751473      6.043685      5.288951
  C      -6.986628      6.411171      4.780007
  O      -7.476687      5.911660      3.757850
  C      -7.699896      7.466544      5.548394
  C      -8.824843      8.084887      4.993229
  C      -9.544060      9.018602      5.729957
  C      -9.155535      9.340462      7.029926
  C      -8.031519      8.720137      7.569441
  Br     -7.494602      9.139846      9.350590
  C      -7.294622      7.792115      6.848204
  C      -5.723643      1.689236      6.168095
  N      -6.635304      2.606332      6.500411
  C      -7.714190      2.801284      5.691059
  O      -7.835725      2.323751      4.542496
  C      -8.723860      3.761706      6.227860
  C      -8.695348      4.189321      7.562472
  C      -9.622401      5.119715      8.017914
  C     -10.575216      5.647751      7.148748
  C     -10.588399      5.220877      5.821468
  Br    -11.874267      5.952528      4.626271
  C      -9.682148      4.283010      5.350749
  H      -1.840247     -0.907420      4.808535
  H      -4.434385     -2.589180      1.736796
  H      -4.086659     -5.042745      2.033483
  H      -3.623073     -5.968268      4.295682
  H      -3.882361     -2.012112      5.966312
  H      -6.111327      4.162446      4.536155
  H      -9.122794      7.814872      3.982413
  H     -10.421880      9.493250      5.296029
  H      -9.719042     10.062540      7.616439
  H      -6.420195      7.307167      7.273307
  H      -6.020096      0.864554      5.495046
  H      -7.940219      3.776195      8.226641
  H      -9.605799      5.444360      9.056741
  H     -11.297757      6.384594      7.491935
  H      -9.676533      3.962009      4.312198
  N      -2.730138      2.745172      3.308633
  N      -2.158643      2.959283      2.218413
  H      -2.690268      2.984591      1.336960
  H      -1.144041      3.129286      2.167396
75
Coordinates from ORCA-job orca E -13838.772457149213
  N      -2.060233      1.072659      5.594336
  Mo     -3.613350      2.353676      5.100482
  N      -4.538615      1.549812      6.842387
  C      -4.290330      2.363762      8.037000
  C      -2.798474      2.557036      8.124353
  N      -2.323283      3.209485      6.860452
  C      -0.895556      2.859613      6.613489
  C      -0.799627      1.380820      6.225059
  C      -2.491922      4.696863      6.958442
  C      -3.035848      5.234946      5.651092
  N      -4.111287      4.337850      5.233498
  H       0.043247      1.224084      5.533755
  H      -0.641308      0.734900      7.103619
  H      -0.531757      3.490520      5.791439
  H      -0.298446      3.073232      7.513639
  H      -3.425254      6.255912      5.768122
  H      -2.253025      5.241120      4.874069
  H      -3.214549      4.915418      7.754957
  H      -1.534451      5.173062      7.216398
  H      -4.657001      1.831487      8.930994
  H      -4.833599      3.321433      7.967963
  H      -2.322333      1.572546      8.215491
  H      -2.512827      3.165153      8.996229
  C      -2.443314     -0.008671      4.947933
  N      -3.629004      0.225185      4.373099
  C      -4.393484     -0.659126      3.620965
  O      -5.224989     -0.231160      2.825370
  C      -4.178863     -2.125739      3.825336
  C      -4.287780     -2.984061      2.720696
  C      -4.114518     -4.357151      2.889368
  C      -3.849049     -4.892921      4.155618
  C      -3.767499     -4.031078      5.250825
  Br     -3.426106     -4.741280      6.987330
  C      -3.927057     -2.653392      5.104803
  C      -5.333502      4.831111      4.975744
  N      -5.722634      6.045823      5.273180
  C      -6.979094      6.405402      4.769480
  O      -7.471364      5.914041      3.745312
  C      -7.702595      7.445605      5.556626
  C      -8.842342      8.053741      5.011119
  C      -9.571145      8.972619      5.764791
  C      -9.179544      9.288954      7.071520
  C      -8.041109      8.676667      7.601381
  Br     -7.502132      9.086547      9.388864
  C      -7.293027      7.764702      6.862467
  C      -5.710863      1.720091      6.169714
  N      -6.618538      2.620744      6.510853
  C      -7.715331      2.802556      5.675109
  O      -7.808608      2.322209      4.537288
  C      -8.740644      3.754310      6.200606
  C      -8.732850      4.186694      7.540013
  C      -9.682321      5.107098      7.982974
  C     -10.635679      5.620211      7.097165
  C     -10.625853      5.190029      5.764677
  Br    -11.910375      5.903755      4.550992
  C      -9.696775      4.263185      5.305404
  H      -1.844411     -0.920693      4.814569
  H      -4.505803     -2.558627      1.739113
  H      -4.190318     -5.025443      2.028442
  H      -3.715740     -5.967776      4.290140
  H      -3.893227     -2.001584      5.979640
  H      -6.057805      4.144470      4.507202
  H      -9.145414      7.788487      3.996992
  H     -10.461582      9.442246      5.340531
  H      -9.751852     10.000508      7.669803
  H      -6.406691      7.287494      7.280804
  H      -5.997035      0.905646      5.477389
  H      -7.977660      3.787391      8.218908
  H      -9.683820      5.437431      9.024538
  H     -11.375199      6.349308      7.432326
  H      -9.670055      3.942809      4.263928
  N      -2.746607      2.742628      3.408628
  N      -2.167511      2.913246      2.308458
  H      -2.703588      2.944300      1.427203
  H      -1.147746      3.062297      2.249068
75
Coordinates from ORCA-job orca E -13838.784346018532
  N      -2.030367      1.074615      5.593460
  Mo     -3.574011      2.367704      5.100213
  N      -4.510706      1.580841      6.835460
  C      -4.262268      2.389362      8.035840
  C      -2.770720      2.572659      8.121802
  N      -2.285891      3.224190      6.855121
  C      -0.857672      2.863742      6.605679
  C      -0.768958      1.383246      6.224160
  C      -2.447716      4.718620      6.951283
  C      -2.982212      5.258630      5.644275
  N      -4.060423      4.368731      5.230712
  H       0.075219      1.220722      5.535050
  H      -0.614852      0.740185      7.105994
  H      -0.494261      3.494468      5.782924
  H      -0.260850      3.080681      7.505556
  H      -3.366538      6.282823      5.755324
  H      -2.196086      5.258132      4.869072
  H      -3.169677      4.934624      7.749373
  H      -1.485196      5.181646      7.216985
  H      -4.632163      1.858078      8.929755
  H      -4.803111      3.349745      7.971923
  H      -2.293775      1.587916      8.208842
  H      -2.474781      3.181577      8.990324
  C      -2.436139     -0.005687      4.947436
  N      -3.618516      0.251883      4.378521
  C      -4.411267     -0.620486      3.618614
  O      -5.233692     -0.173279      2.832841
  C      -4.212742     -2.090242      3.823249
  C      -4.341118     -2.942456      2.714452
  C      -4.187033     -4.319213      2.877844
  C      -3.922574     -4.864629      4.141881
  C      -3.821206     -4.007696      5.240780
  Br     -3.482870     -4.731317      6.971592
  C      -3.960309     -2.626023      5.099956
  C      -5.291221      4.845612      4.956326
  N      -5.687933      6.055739      5.250258
  C      -6.954468      6.398158      4.738710
  O      -7.439653      5.901285      3.716285
  C      -7.695622      7.424602      5.530667
  C      -8.846572      8.013408      4.985205
  C      -9.591761      8.917609      5.742495
  C      -9.207462      9.237508      7.052132
  C      -8.058265      8.642822      7.581565
  Br     -7.530252      9.055853      9.373566
  C      -7.292324      7.747215      6.838684
  C      -5.705657      1.751191      6.174646
  N      -6.610268      2.634610      6.530133
  C      -7.721657      2.806552      5.675038
  O      -7.792621      2.330921      4.542243
  C      -8.754001      3.743542      6.206296
  C      -8.757121      4.159977      7.552242
  C      -9.721941      5.062919      8.001029
  C     -10.677737      5.574215      7.114988
  C     -10.653945      5.162206      5.775104
  Br    -11.940209      5.879526      4.563084
  C      -9.709577      4.254096      5.308786
  H      -1.854877     -0.929328      4.817488
  H      -4.559858     -2.511291      1.734736
  H      -4.277565     -4.984844      2.015070
  H      -3.805444     -5.942767      4.271167
  H      -3.912091     -1.979013      5.978489
  H      -5.990730      4.139597      4.474367
  H      -9.146724      7.744916      3.970437
  H     -10.491251      9.374010      5.320312
  H      -9.793170      9.937748      7.652207
  H      -6.397537      7.285238      7.257745
  H      -5.977534      0.951560      5.458302
  H      -8.000719      3.763918      8.232587
  H      -9.733906      5.382624      9.046666
  H     -11.428279      6.290347      7.455862
  H      -9.668301      3.952281      4.261834
  N      -2.758306      2.740202      3.518625
  N      -2.164854      2.862633      2.405576
  H      -2.698973      2.900183      1.526877
  H      -1.145013      2.984860      2.347445
75
Coordinates from ORCA-job orca E -13838.789215065912
  N      -2.007160      1.073344      5.591369
  Mo     -3.544278      2.375681      5.102847
  N      -4.507211      1.599666      6.831339
  C      -4.255945      2.400115      8.034294
  C      -2.760399      2.574955      8.119602
  N      -2.267055      3.231383      6.856131
  C      -0.838890      2.867589      6.602673
  C      -0.748244      1.384112      6.224514
  C      -2.431511      4.726585      6.957257
  C      -2.957868      5.268911      5.648227
  N      -4.034820      4.384842      5.233582
  H       0.099474      1.219864      5.540583
  H      -0.598127      0.744238      7.108821
  H      -0.479725      3.500000      5.779893
  H      -0.241605      3.088763      7.500600
  H      -3.340777      6.294166      5.755460
  H      -2.166829      5.266796      4.877490
  H      -3.158320      4.932567      7.752867
  H      -1.469801      5.182152      7.236610
  H      -4.630362      1.869037      8.925660
  H      -4.790940      3.364343      7.977742
  H      -2.284019      1.590221      8.202683
  H      -2.455519      3.182998      8.984983
  C      -2.430163     -0.001323      4.949266
  N      -3.612144      0.271799      4.387859
  C      -4.419221     -0.587535      3.625325
  O      -5.237024     -0.122698      2.845968
  C      -4.230962     -2.058150      3.823406
  C      -4.375096     -2.902921      2.711874
  C      -4.237272     -4.280839      2.868412
  C      -3.975634     -4.834245      4.127707
  C      -3.857842     -3.984172      5.228974
  Br     -3.526307     -4.720102      6.954922
  C      -3.978199     -2.601329      5.094713
  C      -5.260199      4.853437      4.936179
  N      -5.667226      6.060889      5.225807
  C      -6.933020      6.388439      4.706698
  O      -7.405386      5.895089      3.678317
  C      -7.688283      7.402428      5.501809
  C      -8.842716      7.981454      4.955710
  C      -9.597403      8.875941      5.712874
  C      -9.221726      9.193621      7.023716
  C      -8.072043      8.604835      7.555000
  Br     -7.557931      9.010704      9.352430
  C      -7.294083      7.722419      6.811336
  C      -5.710002      1.768263      6.186839
  N      -6.613811      2.642080      6.558787
  C      -7.731192      2.805105      5.699274
  O      -7.799963      2.315792      4.573145
  C      -8.759380      3.741873      6.229874
  C      -8.760470      4.161185      7.572850
  C      -9.734538      5.051506      8.023015
  C     -10.700339      5.546470      7.141198
  C     -10.675252      5.134918      5.802859
  Br    -11.975501      5.834190      4.596003
  C      -9.720286      4.241931      5.334003
  H      -1.864801     -0.934631      4.824131
  H      -4.595256     -2.466146      1.736361
  H      -4.339554     -4.941433      2.004762
  H      -3.873457     -5.913275      4.251668
  H      -3.919557     -1.960199      5.975675
  H      -5.936868      4.141925      4.431275
  H      -9.139147      7.712118      3.941276
  H     -10.498026      9.326598      5.290190
  H      -9.813591      9.887698      7.622797
  H      -6.397243      7.268580      7.231759
  H      -5.964611      0.997852      5.432721
  H      -7.996181      3.779275      8.250108
  H      -9.745209      5.375584      9.065899
  H     -11.458625      6.251558      7.483887
  H      -9.673995      3.945859      4.286329
  N      -2.737741      2.746968      3.560814
  N      -2.134245      2.838835      2.438240
  H      -2.667036      2.910143      1.566304
  H      -1.114196      2.905538      2.385995
75
Coordinates from ORCA-job orca E -13838.793534948194
  N      -1.982741      1.070122      5.591490
  Mo     -3.512845      2.380939      5.106908
  N      -4.510220      1.620055      6.828248
  C      -4.253619      2.413011      8.031091
  C      -2.753651      2.578532      8.116794
  N      -2.252131      3.237553      6.856779
  C      -0.824492      2.871826      6.602046
  C      -0.728778      1.385083      6.229415
  C      -2.421206      4.731944      6.961362
  C      -2.944471      5.275092      5.650625
  N      -4.018437      4.393118      5.236595
  H       0.124171      1.219861      5.552985
  H      -0.583121      0.750267      7.117433
  H      -0.469092      3.504435      5.778519
  H      -0.227439      3.098644      7.498138
  H      -3.328432      6.300208      5.756089
  H      -2.150748      5.274360      4.882700
  H      -3.153162      4.927384      7.754018
  H      -1.461653      5.182406      7.253544
  H      -4.633241      1.884663      8.920736
  H      -4.780682      3.381869      7.980282
  H      -2.279493      1.593495      8.198834
  H      -2.440504      3.187217      8.977962
  C      -2.421676      0.003105      4.954433
  N      -3.602743      0.290998      4.398746
  C      -4.419429     -0.552544      3.634013
  O      -5.232538     -0.067866      2.860139
  C      -4.246537     -2.023965      3.823384
  C      -4.404640     -2.860259      2.708854
  C      -4.286333     -4.239083      2.858097
  C      -4.032460     -4.800967      4.112618
  C      -3.900506     -3.959089      5.216644
  Br     -3.582023     -4.708025      6.938630
  C      -3.999409     -2.575618      5.089495
  C      -5.237696      4.850402      4.922859
  N      -5.658098      6.054931      5.207419
  C      -6.923462      6.364128      4.689016
  O      -7.389375      5.867142      3.660859
  C      -7.688630      7.368701      5.486993
  C      -8.850794      7.933902      4.945993
  C      -9.607507      8.825805      5.701109
  C      -9.228414      9.152616      7.006229
  C      -8.075231      8.572591      7.534460
  Br     -7.559051      8.985243      9.328982
  C      -7.293072      7.696011      6.791852
  C      -5.715801      1.783017      6.204723
  N      -6.622210      2.647261      6.592872
  C      -7.738834      2.798669      5.730905
  O      -7.811386      2.285478      4.613962
  C      -8.762271      3.741611      6.251644
  C      -8.759965      4.177157      7.586398
  C      -9.740546      5.061341      8.029579
  C     -10.715587      5.532753      7.148730
  C     -10.691473      5.107867      5.817135
  Br    -12.004731      5.778875      4.609711
  C      -9.729443      4.222233      5.354502
  H      -1.873675     -0.940677      4.836101
  H      -4.621728     -2.416779      1.737402
  H      -4.398665     -4.893450      1.993101
  H      -3.947427     -5.880561      4.231199
  H      -3.932061     -1.941011      5.972991
  H      -5.897027      4.132176      4.405090
  H      -9.151464      7.655978      3.936483
  H     -10.511585      9.268134      5.281195
  H      -9.819278      9.847552      7.602733
  H      -6.391073      7.253480      7.209445
  H      -5.947365      1.048428      5.408609
  H      -7.988449      3.814199      8.263009
  H      -9.748341      5.399908      9.066147
  H     -11.480636      6.230253      7.486847
  H      -9.683149      3.917520      4.310177
  N      -2.689983      2.756901      3.569644
  N      -2.076659      2.819701      2.441744
  H      -2.605691      2.922049      1.574760
  H      -1.057765      2.835922      2.401314
75
Coordinates from ORCA-job orca E -13838.797036755666
  N      -1.951732      1.064620      5.595594
  Mo     -3.475040      2.382744      5.114770
  N      -4.506940      1.638443      6.826900
  C      -4.240732      2.421160      8.031323
  C      -2.738785      2.577412      8.116937
  N      -2.232989      3.239053      6.859411
  C      -0.805560      2.873735      6.606888
  C      -0.704329      1.385070      6.241046
  C      -2.408579      4.733009      6.968767
  C      -2.938586      5.278082      5.660815
  N      -4.007596      4.392137      5.248138
  H       0.154878      1.220168      5.572843
  H      -0.562945      0.755391      7.133178
  H      -0.452041      3.505173      5.781968
  H      -0.209194      3.105583      7.502201
  H      -3.327006      6.301205      5.771004
  H      -2.146880      5.285140      4.891189
  H      -3.143623      4.917009      7.760972
  H      -1.451459      5.182370      7.269185
  H      -4.622986      1.894536      8.920307
  H      -4.760919      3.394304      7.987464
  H      -2.267743      1.591105      8.197095
  H      -2.419012      3.185323      8.975969
  C      -2.404915      0.005956      4.959424
  N      -3.584410      0.310370      4.407776
  C      -4.410438     -0.513462      3.636502
  O      -5.216242     -0.005351      2.868429
  C      -4.259457     -1.987379      3.810770
  C      -4.429327     -2.810189      2.688366
  C      -4.333579     -4.191515      2.824577
  C      -4.091883     -4.768450      4.073628
  C      -3.948610     -3.939847      5.185514
  Br     -3.648081     -4.709837      6.901171
  C      -4.024291     -2.554407      5.071425
  C      -5.227563      4.830458      4.926598
  N      -5.666070      6.031334      5.201923
  C      -6.932145      6.319461      4.682839
  O      -7.393264      5.809414      3.659234
  C      -7.704217      7.329576      5.468884
  C      -8.870199      7.879795      4.921638
  C      -9.626624      8.784869      5.659976
  C      -9.244655      9.139041      6.956159
  C      -8.090741      8.570167      7.492630
  Br     -7.572845      9.015221      9.278659
  C      -7.307804      7.682232      6.765924
  C      -5.717526      1.794566      6.231368
  N      -6.631587      2.640736      6.641197
  C      -7.749493      2.780075      5.781735
  O      -7.837065      2.239113      4.677806
  C      -8.766207      3.735606      6.290458
  C      -8.752718      4.199095      7.614125
  C      -9.732017      5.089237      8.047067
  C     -10.717411      5.536970      7.167181
  C     -10.703978      5.084967      5.845600
  Br    -12.030787      5.726361      4.637220
  C      -9.743401      4.193629      5.392964
  H      -1.874555     -0.948468      4.846851
  H      -4.638045     -2.354571      1.721262
  H      -4.454205     -4.835815      1.953893
  H      -4.025371     -5.849934      4.182212
  H      -3.949679     -1.930031      5.961089
  H      -5.874647      4.099173      4.409725
  H      -9.173521      7.580589      3.919350
  H     -10.531849      9.217236      5.233577
  H      -9.832909      9.847054      7.538840
  H      -6.403195      7.252102      7.189467
  H      -5.923258      1.100120      5.392353
  H      -7.973624      3.854183      8.290361
  H      -9.730407      5.450879      9.075326
  H     -11.483552      6.235857      7.498343
  H      -9.707127      3.866351      4.355382
  N      -2.631987      2.763774      3.582067
  N      -2.012004      2.794903      2.453542
  H      -2.537385      2.923130      1.588308
  H      -0.993214      2.769115      2.426887
75
Coordinates from ORCA-job orca E -13838.799913884901
  N      -1.921017      1.058671      5.603763
  Mo     -3.438062      2.383127      5.125266
  N      -4.501232      1.654522      6.826842
  C      -4.224202      2.422814      8.037123
  C      -2.721971      2.570842      8.121733
  N      -2.214297      3.236263      6.866021
  C      -0.785881      2.873353      6.618121
  C      -0.680085      1.383182      6.258494
  C      -2.397636      4.730462      6.980494
  C      -2.938114      5.277837      5.677182
  N      -4.001110      4.384331      5.264422
  H       0.185420      1.218450      5.598338
  H      -0.543614      0.757261      7.154045
  H      -0.432328      3.502622      5.791520
  H      -0.190439      3.108873      7.513313
  H      -3.332331      6.297958      5.795261
  H      -2.150593      5.295173      4.903683
  H      -3.134540      4.904530      7.773326
  H      -1.443447      5.182950      7.284678
  H      -4.606914      1.894242      8.924736
  H      -4.740275      3.398881      8.002259
  H      -2.254915      1.582406      8.198177
  H      -2.398104      3.174930      8.981914
  C      -2.385456      0.006780      4.965029
  N      -3.562375      0.327165      4.414885
  C      -4.396040     -0.476480      3.633084
  O      -5.193277      0.053749      2.869981
  C      -4.266942     -1.953447      3.788751
  C      -4.446732     -2.760835      2.656475
  C      -4.372358     -4.145095      2.777189
  C      -4.142591     -4.739642      4.020474
  C      -3.989382     -3.926123      5.142297
  Br     -3.705675     -4.719894      6.849984
  C      -4.043574     -2.538292      5.043777
  C      -5.224343      4.804944      4.935920
  N      -5.677400      6.003893      5.196529
  C      -6.941502      6.277078      4.668620
  O      -7.399189      5.745345      3.654054
  C      -7.721066      7.297600      5.434759
  C      -8.887680      7.832772      4.873814
  C      -9.646081      8.754859      5.588923
  C      -9.265937      9.140673      6.876884
  C      -8.112988      8.584368      7.428621
  Br     -7.599126      9.069438      9.205528
  C      -7.327634      7.680513      6.724282
  C      -5.718975      1.803943      6.259418
  N      -6.644532      2.623118      6.695766
  C      -7.766717      2.754979      5.844731
  O      -7.876869      2.193517      4.752536
  C      -8.774455      3.725815      6.346379
  C      -8.745428      4.214548      7.660522
  C      -9.717780      5.116075      8.087100
  C     -10.712848      5.548673      7.210690
  C     -10.715079      5.071376      5.897916
  Br    -12.053860      5.693046      4.691958
  C      -9.761423      4.168996      5.451767
  H      -1.870965     -0.956960      4.856856
  H      -4.646509     -2.291114      1.694138
  H      -4.500487     -4.777706      1.898953
  H      -4.093185     -5.823304      4.117011
  H      -3.962223     -1.925316      5.940841
  H      -5.863928      4.061985      4.424588
  H      -9.189392      7.509143      3.878529
  H     -10.550849      9.176196      5.150500
  H      -9.854168      9.863737      7.440937
  H      -6.422593      7.262478      7.159181
  H      -5.903260      1.150439      5.381202
  H      -7.959954      3.880058      8.334619
  H      -9.703147      5.497698      9.108173
  H     -11.475277      6.253741      7.537628
  H      -9.738952      3.820474      4.420709
  N      -2.576139      2.767849      3.597908
  N      -1.954896      2.773064      2.470795
  H      -2.475713      2.930936      1.607084
  H      -0.937246      2.705696      2.452561
75
Coordinates from ORCA-job orca E -13838.802413766198
  N      -1.893348      1.053996      5.614292
  Mo     -3.406035      2.382469      5.135757
  N      -4.495666      1.669581      6.826382
  C      -4.209608      2.420718      8.045975
  C      -2.707783      2.563141      8.128352
  N      -2.199525      3.232424      6.873619
  C      -0.768760      2.873845      6.632029
  C      -0.658345      1.381859      6.278757
  C      -2.392407      4.727224      6.990753
  C      -2.945332      5.275078      5.692090
  N      -4.000746      4.370305      5.279578
  H       0.213148      1.216819      5.626312
  H      -0.527097      0.758954      7.177289
  H      -0.414547      3.499978      5.803169
  H      -0.174790      3.113365      7.527326
  H      -3.347390      6.291088      5.818746
  H      -2.163426      5.303911      4.913264
  H      -3.129763      4.893282      7.785175
  H      -1.441669      5.187163      7.294179
  H      -4.591077      1.886695      8.931055
  H      -4.725184      3.397699      8.021071
  H      -2.244385      1.572569      8.200250
  H      -2.381953      3.162062      8.991513
  C      -2.364871      0.005962      4.971449
  N      -3.538950      0.338619      4.421050
  C      -4.377643     -0.447415      3.626573
  O      -5.166164      0.101212      2.867067
  C      -4.266855     -1.927285      3.763801
  C      -4.452615     -2.719686      2.621513
  C      -4.396040     -4.106494      2.726956
  C      -4.178203     -4.718159      3.964881
  C      -4.018888     -3.919249      5.096854
  Br     -3.752031     -4.735837      6.796538
  C      -4.055386     -2.529323      5.013733
  C      -5.229580      4.774533      4.946598
  N      -5.694786      5.971076      5.193988
  C      -6.960233      6.230376      4.661111
  O      -7.413451      5.684203      3.651602
  C      -7.740494      7.268344      5.402773
  C      -8.902713      7.795764      4.824798
  C      -9.659122      8.739059      5.514743
  C      -9.281416      9.153843      6.795184
  C      -8.133652      8.603888      7.365094
  Br     -7.625111      9.126298      9.133195
  C      -7.349906      7.679454      6.685153
  C      -5.722686      1.810660      6.283981
  N      -6.661530      2.596918      6.747821
  C      -7.789675      2.724640      5.908177
  O      -7.927435      2.142867      4.829809
  C      -8.785120      3.715287      6.403495
  C      -8.735817      4.231372      7.707049
  C      -9.695273      5.150732      8.127097
  C     -10.699109      5.573078      7.254906
  C     -10.722231      5.067421      5.952411
  Br    -12.072658      5.672947      4.750282
  C      -9.781192      4.147525      5.513123
  H      -1.862701     -0.964841      4.866952
  H      -4.643181     -2.236379      1.663616
  H      -4.528945     -4.727606      1.840767
  H      -4.142979     -5.803766      4.049425
  H      -3.970349     -1.927303      5.918170
  H      -5.866018      4.020513      4.445938
  H      -9.202263      7.449613      3.836123
  H     -10.560199      9.154276      5.062250
  H      -9.867343      9.894439      7.339186
  H      -6.448399      7.267306      7.133728
  H      -5.892231      1.196991      5.371868
  H      -7.944728      3.903330      8.378428
  H      -9.663730      5.553519      9.140112
  H     -11.452977      6.289938      7.577326
  H      -9.776206      3.775524      4.489818
  N      -2.528671      2.768931      3.614032
  N      -1.910822      2.757441      2.487874
  H      -2.425845      2.948727      1.626363
  H      -0.895774      2.648724      2.469852
75
Coordinates from ORCA-job orca E -13838.804617584796
  N      -1.872454      1.051176      5.627489
  Mo     -3.380536      2.383687      5.145194
  N      -4.493153      1.689249      6.824603
  C      -4.200990      2.421900      8.055246
  C      -2.699307      2.559209      8.135395
  N      -2.188767      3.230163      6.881287
  C      -0.755351      2.874264      6.648092
  C      -0.642523      1.379877      6.301845
  C      -2.389273      4.725799      6.996966
  C      -2.952893      5.272012      5.701261
  N      -4.001158      4.355642      5.289878
  H       0.234505      1.212362      5.657227
  H      -0.518220      0.759668      7.203301
  H      -0.398867      3.495673      5.816558
  H      -0.163768      3.117864      7.543929
  H      -3.362374      6.284057      5.834825
  H      -2.176616      5.310345      4.917233
  H      -3.125757      4.887877      7.793280
  H      -1.441411      5.194258      7.296237
  H      -4.581473      1.880538      8.936389
  H      -4.717526      3.398822      8.039852
  H      -2.240627      1.566126      8.203391
  H      -2.372284      3.152734      9.001963
  C      -2.347795      0.004859      4.980414
  N      -3.518371      0.346395      4.427701
  C      -4.359617     -0.424773      3.619691
  O      -5.139174      0.138822      2.862136
  C      -4.263477     -1.907016      3.741111
  C      -4.452143     -2.686495      2.590138
  C      -4.409753     -4.075137      2.682501
  C      -4.203015     -4.701331      3.915810
  C      -4.040435     -3.914919      5.056573
  Br     -3.789152     -4.750878      6.749181
  C      -4.062952     -2.523521      4.986718
  C      -5.235005      4.749363      4.953110
  N      -5.703384      5.946891      5.184377
  C      -6.970414      6.199656      4.647347
  O      -7.430459      5.626161      3.656015
  C      -7.750562      7.247487      5.374112
  C      -8.916175      7.762803      4.791363
  C      -9.668875      8.720653      5.466024
  C      -9.284141      9.161551      6.736333
  C      -8.133709      8.622210      7.312254
  Br     -7.617375      9.178617      9.067842
  C      -7.353348      7.683861      6.646758
  C      -5.730022      1.820236      6.302729
  N      -6.682459      2.570493      6.792672
  C      -7.818168      2.690916      5.965978
  O      -7.983469      2.083886      4.905922
  C      -8.801100      3.702679      6.451664
  C      -8.731370      4.249493      7.742231
  C      -9.677855      5.187350      8.152518
  C     -10.690256      5.597368      7.283329
  C     -10.733991      5.060244      5.993550
  Br    -12.096076      5.645697      4.793586
  C      -9.805578      4.121909      5.564392
  H      -1.855036     -0.971298      4.879759
  H      -4.634006     -2.191714      1.635994
  H      -4.545303     -4.686244      1.789297
  H      -4.179058     -5.788364      3.989976
  H      -3.976293     -1.930760      5.897388
  H      -5.872280      3.987476      4.464895
  H      -9.220252      7.396674      3.811024
  H     -10.572324      9.126735      5.009178
  H      -9.866832      9.914295      7.267770
  H      -6.449485      7.280438      7.099302
  H      -5.891945      1.243274      5.363011
  H      -7.935160      3.929064      8.412000
  H      -9.629757      5.613421      9.155763
  H     -11.435415      6.326815      7.598745
  H      -9.817249      3.724477      4.550493
  N      -2.489716      2.768024      3.628069
  N      -1.877586      2.749253      2.501756
  H      -2.384510      2.977695      1.643453
  H      -0.867177      2.598133      2.476168
75
Coordinates from ORCA-job orca E -13838.806536470303
  N      -1.859431      1.048993      5.638961
  Mo     -3.367739      2.382203      5.155450
  N      -4.494220      1.701322      6.824430
  C      -4.198314      2.413763      8.067154
  C      -2.696420      2.550877      8.142804
  N      -2.186261      3.225767      6.889866
  C      -0.749969      2.874919      6.662254
  C      -0.633158      1.378796      6.320432
  C      -2.396101      4.721424      7.004099
  C      -2.972434      5.265424      5.711980
  N      -4.012451      4.336150      5.302517
  H       0.247878      1.210834      5.681267
  H      -0.513250      0.759980      7.223465
  H      -0.393885      3.493344      5.828330
  H      -0.160503      3.122892      7.558240
  H      -3.391856      6.272181      5.853216
  H      -2.202594      5.315281      4.922318
  H      -3.129073      4.878999      7.804701
  H      -1.450816      5.199668      7.296136
  H      -4.575053      1.861022      8.942759
  H      -4.718701      3.388873      8.064175
  H      -2.239857      1.556434      8.204795
  H      -2.367924      3.138844      9.012721
  C      -2.333905      0.002852      4.987287
  N      -3.503182      0.346979      4.434224
  C      -4.343788     -0.413531      3.613362
  O      -5.117996      0.160880      2.858936
  C      -4.252537     -1.897412      3.719138
  C      -4.440561     -2.664546      2.559714
  C      -4.402981     -4.054352      2.638306
  C      -4.201397     -4.693962      3.865917
  C      -4.039119     -3.919565      5.015221
  Br     -3.795295     -4.773854      6.699656
  C      -4.057035     -2.527282      4.959334
  C      -5.252712      4.720046      4.967330
  N      -5.724751      5.916719      5.188428
  C      -6.998447      6.157947      4.655594
  O      -7.456282      5.578120      3.667204
  C      -7.767580      7.229706      5.357232
  C      -8.926349      7.745373      4.760844
  C      -9.668309      8.727296      5.412879
  C      -9.279689      9.192167      6.673709
  C      -8.136505      8.652177      7.263989
  Br     -7.617473      9.240446      9.008340
  C      -7.366274      7.690080      6.620497
  C      -5.741316      1.819116      6.320965
  N      -6.705168      2.533119      6.837488
  C      -7.852119      2.645179      6.026942
  O      -8.046230      2.009168      4.989486
  C      -8.813757      3.686231      6.498404
  C      -8.716246      4.269120      7.771466
  C      -9.640693      5.234923      8.167596
  C     -10.659041      5.637181      7.301044
  C     -10.730362      5.063169      6.028411
  Br    -12.099489      5.636151      4.829548
  C      -9.824129      4.096470      5.613819
  H      -1.844390     -0.975128      4.887586
  H      -4.618314     -2.159320      1.610000
  H      -4.538448     -4.655851      1.738255
  H      -4.181331     -5.781996      3.929140
  H      -3.971315     -1.943725      5.876177
  H      -5.890395      3.950077      4.492786
  H      -9.233533      7.360344      3.788529
  H     -10.566661      9.133336      4.945469
  H      -9.854237      9.963849      7.187015
  H      -6.468019      7.285767      7.083653
  H      -5.902636      1.275982      5.359355
  H      -7.916403      3.953375      8.439694
  H      -9.570603      5.688834      9.157545
  H     -11.387647      6.387887      7.605825
  H      -9.857365      3.669502      4.612352
  N      -2.470281      2.767252      3.641214
  N      -1.866600      2.754752      2.511951
  H      -2.365698      3.024747      1.660511
  H      -0.863160      2.562448      2.470129
75
Coordinates from ORCA-job orca E -13838.808266504628
  N      -1.854587      1.046692      5.653730
  Mo     -3.358662      2.384255      5.161995
  N      -4.500803      1.722788      6.819484
  C      -4.203758      2.417546      8.072272
  C      -2.700902      2.551107      8.147410
  N      -2.184925      3.224999      6.896192
  C      -0.747137      2.872467      6.677612
  C      -0.631612      1.373892      6.342821
  C      -2.396716      4.721210      7.004324
  C      -2.979028      5.261896      5.712523
  N      -4.014438      4.324857      5.304818
  H       0.253473      1.200981      5.710639
  H      -0.520003      0.757780      7.248701
  H      -0.387602      3.485301      5.841174
  H      -0.161424      3.124547      7.574775
  H      -3.404628      6.265476      5.856877
  H      -2.212645      5.317555      4.920104
  H      -3.125963      4.880542      7.807987
  H      -1.451670      5.204194      7.289356
  H      -4.580609      1.855637      8.941683
  H      -4.724441      3.392468      8.078814
  H      -2.249502      1.554313      8.207124
  H      -2.370587      3.135110      9.019323
  C      -2.327441      0.000701      4.999070
  N      -3.493970      0.346306      4.442529
  C      -4.331825     -0.405354      3.609692
  O      -5.099267      0.178115      2.855666
  C      -4.244604     -1.890206      3.704798
  C      -4.429652     -2.648144      2.538980
  C      -4.395319     -4.038508      2.607430
  C      -4.199630     -4.687722      3.830793
  C      -4.040025     -3.922249      4.986437
  Br     -3.804356     -4.789979      6.665019
  C      -4.055013     -2.529668      4.940919
  C      -5.257306      4.707464      4.969438
  N      -5.722969      5.908248      5.175188
  C      -7.000268      6.146248      4.643655
  O      -7.471341      5.538265      3.679456
  C      -7.766108      7.222525      5.340387
  C      -8.934987      7.724407      4.752068
  C      -9.671878      8.712911      5.399882
  C      -9.268277      9.197500      6.648358
  C      -8.115314      8.670617      7.231439
  Br     -7.576847      9.285239      8.960550
  C      -7.349940      7.702480      6.591449
  C      -5.754755      1.828044      6.328256
  N      -6.726964      2.512030      6.865928
  C      -7.883099      2.614968      6.067193
  O      -8.102143      1.944034      5.057534
  C      -8.830480      3.674860      6.526647
  C      -8.710862      4.287141      7.783727
  C      -9.622465      5.269147      8.169255
  C     -10.649961      5.658319      7.307482
  C     -10.742920      5.054784      6.050368
  Br    -12.124664      5.608258      4.856353
  C      -9.849833      4.071393      5.646537
  H      -1.840233     -0.978795      4.902525
  H      -4.602565     -2.135466      1.592402
  H      -4.528817     -4.632829      1.702344
  H      -4.182125     -5.776207      3.885925
  H      -3.971893     -1.953067      5.862299
  H      -5.897708      3.932978      4.507553
  H      -9.253260      7.324130      3.789580
  H     -10.578029      9.108625      4.938742
  H      -9.839175      9.974442      7.157833
  H      -6.444244      7.307995      7.048407
  H      -5.918031      1.312362      5.351341
  H      -7.905396      3.979728      8.449145
  H      -9.535624      5.745589      9.147193
  H     -11.369129      6.420946      7.604644
  H      -9.900244      3.620771      4.656285
  N      -2.452464      2.764103      3.650276
  N      -1.854595      2.762145      2.518495
  H      -2.341752      3.077653      1.675687
  H      -0.861947      2.523343      2.458671
75
Coordinates from ORCA-job orca E -13838.809870589273
  N      -1.855204      1.043844      5.664585
  Mo     -3.360459      2.382803      5.170500
  N      -4.509434      1.733247      6.818475
  C      -4.210718      2.410963      8.079570
  C      -2.706969      2.545666      8.152183
  N      -2.189040      3.221514      6.903123
  C      -0.750291      2.869871      6.688243
  C      -0.633842      1.370291      6.356722
  C      -2.403508      4.717426      7.008693
  C      -2.994506      5.256052      5.719361
  N      -4.025917      4.312553      5.313902
  H       0.253261      1.196037      5.727877
  H      -0.525676      0.755659      7.263929
  H      -0.391211      3.480216      5.849961
  H      -0.166670      3.125568      7.585626
  H      -3.427279      6.255824      5.868191
  H      -2.232159      5.319195      4.923907
  H      -3.126369      4.876830      7.818048
  H      -1.457621      5.203548      7.285452
  H      -4.584242      1.837666      8.942620
  H      -4.733156      3.384737      8.098715
  H      -2.257347      1.548041      8.208300
  H      -2.374148      3.126433      9.025233
  C      -2.324028     -0.001599      5.006925
  N      -3.491196      0.341004      4.451111
  C      -4.324507     -0.404315      3.608699
  O      -5.090607      0.185858      2.858351
  C      -4.233779     -1.889537      3.691322
  C      -4.415806     -2.637494      2.518756
  C      -4.377240     -4.028134      2.574790
  C      -4.180069     -4.687470      3.792051
  C      -4.023380     -3.931912      4.954401
  Br     -3.785871     -4.814079      6.625089
  C      -4.042867     -2.539298      4.921429
  C      -5.271802      4.693544      4.983281
  N      -5.733974      5.896752      5.178173
  C      -7.015667      6.127609      4.649984
  O      -7.488895      5.509493      3.694203
  C      -7.772861      7.219815      5.330222
  C      -8.940533      7.718126      4.736708
  C      -9.669321      8.722076      5.369355
  C      -9.259117      9.225691      6.607678
  C      -8.107724      8.702293      7.196557
  Br     -7.561334      9.343159      8.913362
  C      -7.350067      7.719048      6.571159
  C      -5.769748      1.822105      6.341434
  N      -6.747458      2.477390      6.902732
  C      -7.917466      2.567224      6.121138
  O      -8.157170      1.867462      5.136442
  C      -8.841129      3.654858      6.561221
  C      -8.696767      4.298119      7.799661
  C      -9.586818      5.305770      8.168177
  C     -10.616410      5.689986      7.307184
  C     -10.733468      5.055356      6.068079
  Br    -12.117081      5.602535      4.873238
  C      -9.862884      4.045439      5.681561
  H      -1.833667     -0.979517      4.909620
  H      -4.589664     -2.117078      1.576785
  H      -4.508629     -4.614652      1.664532
  H      -4.159268     -5.776176      3.837448
  H      -3.962372     -1.970903      5.847913
  H      -5.912676      3.914569      4.531570
  H      -9.264143      7.303086      3.782434
  H     -10.574411      9.115185      4.904279
  H      -9.823970     10.014573      7.105082
  H      -6.445559      7.326996      7.032133
  H      -5.936651      1.330185      5.353283
  H      -7.890609      3.993428      8.465162
  H      -9.481466      5.806341      9.131945
  H     -11.318573      6.472851      7.591350
  H      -9.932637      3.569316      4.704638
  N      -2.451708      2.763915      3.658527
  N      -1.861824      2.781451      2.522766
  H      -2.339033      3.146267      1.694437
  H      -0.883475      2.495539      2.439969
75
Coordinates from ORCA-job orca E -13838.811384160272
  N      -1.858415      1.038790      5.678266
  Mo     -3.360385      2.382304      5.174780
  N      -4.520640      1.749700      6.810833
  C      -4.221990      2.414335      8.077785
  C      -2.717386      2.546468      8.153569
  N      -2.191474      3.220305      6.907031
  C      -0.752743      2.864294      6.699613
  C      -0.639016      1.363204      6.374296
  C      -2.402801      4.716939      7.007540
  C      -2.996588      5.253428      5.718201
  N      -4.026983      4.307813      5.313750
  H       0.250680      1.184196      5.750591
  H      -0.537316      0.751838      7.284392
  H      -0.390192      3.470185      5.859714
  H      -0.172751      3.123390      7.598325
  H      -3.433319      6.251417      5.867532
  H      -2.234924      5.319457      4.922562
  H      -3.120445      4.880770      7.820604
  H      -1.454316      5.201291      7.278368
  H      -4.596603      1.833333      8.934970
  H      -4.742280      3.388937      8.105934
  H      -2.271543      1.547327      8.210784
  H      -2.383635      3.125885      9.027059
  C      -2.323623     -0.005689      5.018442
  N      -3.490088      0.334487      4.460501
  C      -4.317637     -0.404871      3.609274
  O      -5.080810      0.191474      2.860123
  C      -4.225309     -1.890297      3.681832
  C      -4.403393     -2.629659      2.503291
  C      -4.361846     -4.020475      2.548654
  C      -4.165413     -4.688465      3.760913
  C      -4.012660     -3.941536      4.929118
  Br     -3.776295     -4.835928      6.593440
  C      -4.035451     -2.548977      4.906901
  C      -5.274175      4.689118      4.986664
  N      -5.733014      5.894955      5.170183
  C      -7.018556      6.118296      4.645634
  O      -7.495148      5.489790      3.698980
  C      -7.771439      7.219207      5.316180
  C      -8.942137      7.709948      4.722518
  C      -9.669362      8.719477      5.347617
  C      -9.254658      9.236237      6.578639
  C      -8.099734      8.721126      7.167528
  Br     -7.547150      9.380492      8.875146
  C      -7.343539      7.732670      6.549173
  C      -5.784855      1.823458      6.343832
  N      -6.764104      2.458852      6.923924
  C      -7.944915      2.542438      6.155231
  O      -8.207546      1.811967      5.199633
  C      -8.852909      3.644655      6.587757
  C      -8.687677      4.306212      7.813585
  C      -9.563894      5.327913      8.176048
  C     -10.599798      5.707759      7.321351
  C     -10.737666      5.054671      6.094434
  Br    -12.129914      5.596500      4.907390
  C      -9.881799      4.030112      5.714237
  H      -1.829808     -0.982134      4.922612
  H      -4.576476     -2.102662      1.565052
  H      -4.490328     -4.600308      1.633936
  H      -4.142258     -5.777273      3.798017
  H      -3.958361     -1.987959      5.837960
  H      -5.916051      3.905309      4.545884
  H      -9.269956      7.283996      3.774668
  H     -10.577076      9.106408      4.882869
  H      -9.819029     10.028575      7.070635
  H      -6.436864      7.346283      7.010312
  H      -5.953064      1.349523      5.348043
  H      -7.877320      4.004236      8.474823
  H      -9.442872      5.843125      9.130013
  H     -11.290292      6.502427      7.600599
  H      -9.968421      3.539013      4.746250
  N      -2.444016      2.761594      3.665339
  N      -1.857500      2.798805      2.528400
  H      -2.321074      3.213562      1.716202
  H      -0.897534      2.462185      2.425281
75
Coordinates from ORCA-job orca E -13838.812848111287
  N      -1.863508      1.033515      5.691648
  Mo     -3.364290      2.380210      5.179810
  N      -4.532104      1.765141      6.805442
  C      -4.232150      2.420636      8.075676
  C      -2.726977      2.550611      8.153990
  N      -2.194449      3.220770      6.908505
  C      -0.756103      2.860640      6.706404
  C      -0.644797      1.358176      6.388176
  C      -2.401492      4.718418      7.003972
  C      -2.999333      5.251961      5.715395
  N      -4.030178      4.305102      5.314968
  H       0.246195      1.174739      5.767688
  H      -0.546769      0.751087      7.301504
  H      -0.391489      3.462009      5.864228
  H      -0.178205      3.123822      7.605296
  H      -3.438829      6.248869      5.864434
  H      -2.239186      5.319093      4.918593
  H      -3.112687      4.887711      7.821557
  H      -1.449500      5.199760      7.267609
  H      -4.606692      1.833916      8.928910
  H      -4.750236      3.396046      8.111613
  H      -2.283857      1.550507      8.214570
  H      -2.392687      3.130710      9.026731
  C      -2.324873     -0.010464      5.030755
  N      -3.492567      0.325403      4.472907
  C      -4.314738     -0.408806      3.615116
  O      -5.078388      0.192674      2.869425
  C      -4.218669     -1.894347      3.675336
  C      -4.395250     -2.623795      2.490384
  C      -4.348505     -4.014759      2.522954
  C      -4.148152     -4.692837      3.728767
  C      -3.996946     -3.955966      4.903374
  Br     -3.755424     -4.864282      6.559436
  C      -4.025175     -2.563441      4.893901
  C      -5.279492      4.685878      4.995871
  N      -5.734964      5.894448      5.168509
  C      -7.025351      6.111504      4.652243
  O      -7.511734      5.468900      3.720594
  C      -7.771903      7.220677      5.316534
  C      -8.950078      7.701423      4.729517
  C      -9.671582      8.718829      5.348208
  C      -9.243677      9.253548      6.566844
  C      -8.081517      8.748230      7.149737
  Br     -7.510182      9.433035      8.841029
  C      -7.331021      7.752112      6.537055
  C      -5.801781      1.817930      6.351294
  N      -6.781575      2.434090      6.949770
  C      -7.976829      2.501243      6.199046
  O      -8.254548      1.744953      5.268893
  C      -8.865660      3.626300      6.608514
  C      -8.681990      4.317206      7.815256
  C      -9.542589      5.358824      8.157889
  C     -10.580214      5.729665      7.301797
  C     -10.736345      5.047263      6.093296
  Br    -12.131200      5.576738      4.904046
  C      -9.897155      4.001832      5.733551
  H      -1.824853     -0.983957      4.935383
  H      -4.571220     -2.089176      1.557140
  H      -4.475953     -4.586857      1.603383
  H      -4.120898     -5.781742      3.756013
  H      -3.949464     -2.011165      5.830159
  H      -5.923948      3.897161      4.568080
  H      -9.288071      7.261867      3.791599
  H     -10.584725      9.098450      4.888385
  H      -9.803403     10.052120      7.053826
  H      -6.418423      7.373794      6.993004
  H      -5.970006      1.355626      5.351149
  H      -7.870929      4.021760      8.478289
  H      -9.408176      5.896813      9.097252
  H     -11.258024      6.540195      7.565539
  H     -10.000095      3.485767      4.780268
  N      -2.440474      2.759909      3.672936
  N      -1.856706      2.819958      2.536057
  H      -2.307144      3.283772      1.743341
  H      -0.917971      2.434477      2.411195
75
Coordinates from ORCA-job orca E -13838.814288543917
  N      -1.868169      1.025514      5.709427
  Mo     -3.363577      2.377796      5.183971
  N      -4.544152      1.783750      6.796335
  C      -4.243994      2.432302      8.069485
  C      -2.738485      2.556597      8.154516
  N      -2.195189      3.221063      6.910321
  C      -0.757453      2.854073      6.717159
  C      -0.650772      1.349810      6.408062
  C      -2.394717      4.720680      7.000392
  C      -2.992097      5.252371      5.711045
  N      -4.024233      4.306137      5.312809
  H       0.242204      1.159533      5.792488
  H      -0.558887      0.748006      7.325536
  H      -0.387214      3.449564      5.873281
  H      -0.182820      3.120587      7.617232
  H      -3.431755      6.249631      5.857893
  H      -2.231300      5.317790      4.914851
  H      -3.101782      4.897213      7.820041
  H      -1.438952      5.196811      7.259703
  H      -4.622215      1.842775      8.919263
  H      -4.757571      3.409744      8.110230
  H      -2.299593      1.554990      8.221367
  H      -2.406309      3.137762      9.027333
  C      -2.326230     -0.017745      5.046800
  N      -3.493286      0.316204      4.485976
  C      -4.309718     -0.410950      3.620091
  O      -5.072057      0.197065      2.877012
  C      -4.213328     -1.896905      3.665534
  C      -4.388851     -2.614224      2.472942
  C      -4.339930     -4.005442      2.490575
  C      -4.138158     -4.696052      3.689155
  C      -3.987944     -3.971418      4.871454
  Br     -3.744608     -4.896539      6.518003
  C      -4.018607     -2.578803      4.876831
  C      -5.275217      4.684651      4.998443
  N      -5.731244      5.894694      5.157971
  C      -7.024627      6.102341      4.645206
  O      -7.514064      5.448258      3.723100
  C      -7.769947      7.219631      5.297617
  C      -8.952565      7.688464      4.709772
  C      -9.676234      8.710025      5.319093
  C      -9.245861      9.260944      6.529784
  C      -8.078292      8.768570      7.113076
  Br     -7.502291      9.476943      8.793166
  C      -7.325726      7.768549      6.509169
  C      -5.819601      1.816868      6.354128
  N      -6.796667      2.419311      6.968592
  C      -8.004620      2.479294      6.235865
  O      -8.304553      1.700911      5.331977
  C      -8.879764      3.616123      6.640964
  C      -8.676672      4.319899      7.837229
  C      -9.524690      5.372817      8.177169
  C     -10.568203      5.742840      7.328086
  C     -10.743685      5.047711      6.129264
  Br    -12.144954      5.578141      4.948314
  C      -9.918135      3.990066      5.773312
  H      -1.820553     -0.988680      4.953368
  H      -4.565758     -2.070055      1.545394
  H      -4.466739     -4.568070      1.565075
  H      -4.109139     -5.785167      3.704851
  H      -3.943744     -2.036937      5.819231
  H      -5.921062      3.890733      4.582175
  H      -9.293152      7.235493      3.779170
  H     -10.593235      9.079847      4.858902
  H      -9.807974     10.061626      7.010438
  H      -6.409441      7.399903      6.965739
  H      -5.986663      1.361880      5.351545
  H      -7.860844      4.025458      8.494911
  H      -9.375351      5.920952      9.108404
  H     -11.234480      6.564028      7.588316
  H     -10.037030      3.463763      4.827504
  N      -2.424480      2.757175      3.683419
  N      -1.837658      2.839753      2.550514
  H      -2.270185      3.352176      1.777825
  H      -0.923030      2.405613      2.406376
75
Coordinates from ORCA-job orca E -13838.815699886740
  N      -1.872551      1.017623      5.730357
  Mo     -3.361028      2.374654      5.187245
  N      -4.556480      1.806088      6.787114
  C      -4.256202      2.453869      8.061051
  C      -2.750520      2.571140      8.153556
  N      -2.195337      3.225311      6.908559
  C      -0.758178      2.850405      6.726362
  C      -0.656536      1.343536      6.430611
  C      -2.385919      4.727611      6.989772
  C      -2.982321      5.254998      5.698448
  N      -4.015715      4.308208      5.306091
  H       0.238361      1.144345      5.820572
  H      -0.570983      0.749428      7.353753
  H      -0.380991      3.437574      5.879718
  H      -0.186897      3.121927      7.627173
  H      -3.420659      6.253529      5.841132
  H      -2.221599      5.315772      4.901828
  H      -3.089848      4.913535      7.810077
  H      -1.426422      5.198723      7.244446
  H      -4.639471      1.866147      8.910009
  H      -4.764949      3.433656      8.101521
  H      -2.316235      1.568220      8.230836
  H      -2.422069      3.156279      9.025201
  C      -2.327452     -0.026312      5.067050
  N      -3.493374      0.306276      4.502341
  C      -4.305109     -0.413597      3.628639
  O      -5.066281      0.201292      2.888764
  C      -4.209382     -1.900047      3.657385
  C      -4.385405     -2.603614      2.456596
  C      -4.335273     -3.995002      2.457643
  C      -4.131473     -4.699803      3.647941
  C      -3.980661     -3.988968      4.838617
  Br     -3.734761     -4.932917      6.474122
  C      -4.012726     -2.596296      4.860474
  C      -5.270433      4.680856      5.000907
  N      -5.729235      5.891145      5.150264
  C      -7.030499      6.087351      4.653509
  O      -7.532637      5.416918      3.749839
  C      -7.770219      7.212405      5.299489
  C      -8.965278      7.665000      4.723915
  C      -9.684467      8.693035      5.327982
  C      -9.236750      9.266889      6.521977
  C      -8.056451      8.790873      7.093453
  Br     -7.455025      9.532302      8.750457
  C      -7.308482      7.784476      6.493918
  C      -5.839626      1.815580      6.358339
  N      -6.813736      2.407535      6.984404
  C      -8.035460      2.451500      6.272508
  O      -8.357003      1.646014      5.401270
  C      -8.897831      3.604607      6.660134
  C      -8.673429      4.337332      7.835313
  C      -9.509482      5.404764      8.160051
  C     -10.562090      5.760835      7.315986
  C     -10.759052      5.036564      6.137458
  Br    -12.172546      5.547536      4.962651
  C      -9.945930      3.963750      5.797788
  H      -1.816364     -0.994934      4.977558
  H      -4.563724     -2.048555      1.535623
  H      -4.462662     -4.546895      1.525593
  H      -4.101466     -5.789151      3.650719
  H      -3.937422     -2.065979      5.809520
  H      -5.919708      3.880818      4.600715
  H      -9.319080      7.194195      3.807059
  H     -10.611188      9.050229      4.877042
  H      -9.795220     10.072639      6.998718
  H      -6.382061      7.429159      6.940827
  H      -6.004773      1.360129      5.356749
  H      -7.850455      4.053994      8.489300
  H      -9.343670      5.975177      9.075170
  H     -11.218688      6.593778      7.563689
  H     -10.083092      3.413693      4.867924
  N      -2.402293      2.750985      3.696159
  N      -1.808479      2.852948      2.569455
  H      -2.219569      3.410252      1.815955
  H      -0.919859      2.372894      2.407175
75
Coordinates from ORCA-job orca E -13838.817075366876
  N      -1.877946      1.007670      5.756120
  Mo     -3.355905      2.371004      5.192812
  N      -4.570377      1.827652      6.778730
  C      -4.270158      2.476089      8.053631
  C      -2.764218      2.584597      8.155341
  N      -2.195252      3.227941      6.910195
  C      -0.758812      2.843776      6.741156
  C      -0.663584      1.334160      6.459200
  C      -2.375014      4.733183      6.983469
  C      -2.967498      5.257723      5.689171
  N      -4.001706      4.310821      5.301406
  H       0.233384      1.124587      5.855618
  H      -0.585916      0.747930      7.388107
  H      -0.372371      3.421990      5.892542
  H      -0.191724      3.119269      7.643482
  H      -3.402593      6.258307      5.827448
  H      -2.205959      5.312332      4.892958
  H      -3.077981      4.928599      7.802389
  H      -1.412092      5.198486      7.235823
  H      -4.660601      1.891816      8.901834
  H      -4.773206      3.458682      8.091940
  H      -2.335456      1.580196      8.243722
  H      -2.441281      3.173446      9.026645
  C      -2.329486     -0.036536      5.090617
  N      -3.492458      0.297436      4.519805
  C      -4.299554     -0.411951      3.635430
  O      -5.058119      0.212992      2.900155
  C      -4.206325     -1.898844      3.642195
  C      -4.382656     -2.583937      2.430786
  C      -4.332661     -3.975240      2.410312
  C      -4.128363     -4.698665      3.589647
  C      -3.977126     -4.006219      4.791199
  Br     -3.730753     -4.975034      6.412036
  C      -4.009235     -2.613810      4.834529
  C      -5.259907      4.675587      5.002462
  N      -5.723557      5.885803      5.136992
  C      -7.029049      6.067838      4.646371
  O      -7.536697      5.376689      3.761035
  C      -7.769860      7.201536      5.275868
  C      -8.975238      7.631630      4.704406
  C      -9.697165      8.665657      5.295210
  C      -9.241461      9.268152      6.472251
  C      -8.049735      8.815565      7.039404
  Br     -7.434871      9.599202      8.672122
  C      -7.299327      7.803211      6.452476
  C      -5.862109      1.813963      6.365732
  N      -6.830327      2.397900      7.004534
  C      -8.067050      2.430859      6.319270
  O      -8.411035      1.609533      5.472658
  C      -8.915913      3.596586      6.702391
  C      -8.668571      4.343251      7.864374
  C      -9.491304      5.421552      8.187645
  C     -10.552716      5.775853      7.353690
  C     -10.772380      5.037739      6.187345
  Br    -12.195142      5.548541      5.023701
  C      -9.973643      3.952865      5.850877
  H      -1.813910     -1.003242      5.005523
  H      -4.561072     -2.014434      1.518532
  H      -4.460459     -4.512689      1.469729
  H      -4.098405     -5.788059      3.575523
  H      -3.933607     -2.098509      5.791926
  H      -5.910881      3.870121      4.614820
  H      -9.335208      7.137935      3.801957
  H     -10.632437      9.004686      4.847514
  H      -9.802519     10.077913      6.939278
  H      -6.364257      7.466252      6.895859
  H      -6.028782      1.353717      5.368023
  H      -7.838357      4.061759      8.510310
  H      -9.307388      6.002263      9.092936
  H     -11.197552      6.619032      7.598242
  H     -10.129570      3.391501      4.930692
  N      -2.372097      2.744221      3.714347
  N      -1.766556      2.865208      2.596700
  H      -2.151188      3.466023      1.862440
  H      -0.905578      2.342569      2.415954
75
Coordinates from ORCA-job orca E -13838.818399413236
  N      -1.883863      0.998497      5.784199
  Mo     -3.348120      2.368098      5.196346
  N      -4.584964      1.852945      6.769428
  C      -4.285281      2.507052      8.043186
  C      -2.779125      2.605912      8.154927
  N      -2.194715      3.234050      6.908815
  C      -0.759264      2.838671      6.755771
  C      -0.671613      1.325527      6.491060
  C      -2.362723      4.742227      6.969274
  C      -2.951089      5.260541      5.669989
  N      -3.985762      4.311935      5.289974
  H       0.227724      1.103310      5.895536
  H      -0.603475      0.749223      7.426923
  H      -0.361900      3.405222      5.904379
  H      -0.197489      3.119887      7.659687
  H      -3.382797      6.263410      5.801861
  H      -2.189235      5.306824      4.873647
  H      -3.065548      4.949411      7.785390
  H      -1.396627      5.202413      7.218743
  H      -4.684590      1.930045      8.892218
  H      -4.781904      3.492952      8.074507
  H      -2.357338      1.599940      8.257230
  H      -2.461565      3.200875      9.024127
  C      -2.332067     -0.046747      5.117275
  N      -3.490573      0.289645      4.538624
  C      -4.293461     -0.408855      3.642981
  O      -5.047428      0.227427      2.911857
  C      -4.203315     -1.895779      3.628677
  C      -4.378590     -2.562405      2.406876
  C      -4.329234     -3.953252      2.365446
  C      -4.126399     -4.694710      3.533889
  C      -3.976159     -4.020555      4.746023
  Br     -3.732123     -5.013837      6.352289
  C      -4.007784     -2.628855      4.810374
  C      -5.249259      4.667053      5.003490
  N      -5.718424      5.876344      5.128489
  C      -7.034482      6.041155      4.659722
  O      -7.555677      5.327389      3.800350
  C      -7.769951      7.184535      5.277642
  C      -8.992452      7.589516      4.724391
  C      -9.709894      8.631719      5.306397
  C      -9.232093      9.267800      6.456716
  C      -8.022548      8.840911      7.006009
  Br     -7.374967      9.673556      8.601455
  C      -7.276900      7.820321      6.427006
  C      -5.884618      1.816111      6.372444
  N      -6.847613      2.395729      7.020045
  C      -8.098616      2.409620      6.361553
  O      -8.465344      1.559723      5.554314
  C      -8.937223      3.589153      6.727552
  C      -8.664177      4.367832      7.862558
  C      -9.476206      5.458498      8.171226
  C     -10.552779      5.793315      7.348553
  C     -10.798401      5.022647      6.208596
  Br    -12.241569      5.506396      5.058341
  C     -10.010680      3.924878      5.887723
  H      -1.814431     -1.012963      5.039372
  H      -4.555586     -1.978779      1.503215
  H      -4.456340     -4.476305      1.416559
  H      -4.096926     -5.783860      3.503207
  H      -3.933119     -2.128298      5.775718
  H      -5.903523      3.854958      4.634333
  H      -9.369027      7.069596      3.843630
  H     -10.658883      8.950710      4.872826
  H      -9.789787     10.083881      6.916905
  H      -6.327966      7.503668      6.855791
  H      -6.055203      1.346098      5.381361
  H      -7.822108      4.101615      8.499759
  H      -9.271972      6.063761      9.055957
  H     -11.189206      6.646393      7.580917
  H     -10.187924      3.337418      4.987765
  N      -2.338114      2.732192      3.732381
  N      -1.718458      2.864868      2.624162
  H      -2.072451      3.503305      1.906130
  H      -0.886595      2.302728      2.425479
75
Coordinates from ORCA-job orca E -13838.819681227906
  N      -1.891659      0.987829      5.816192
  Mo     -3.338287      2.365618      5.201799
  N      -4.600834      1.877028      6.762029
  C      -4.300971      2.537949      8.033953
  C      -2.794549      2.626124      8.156736
  N      -2.193437      3.238671      6.910940
  C      -0.759574      2.830163      6.775404
  C      -0.681615      1.313377      6.527963
  C      -2.348500      4.749339      6.958617
  C      -2.931141      5.261597      5.653323
  N      -3.966123      4.311726      5.279650
  H       0.220042      1.077005      5.941527
  H      -0.624749      0.747347      7.470796
  H      -0.349586      3.384155      5.921814
  H      -0.204057      3.116474      7.681548
  H      -3.358756      6.267005      5.778222
  H      -2.168001      5.298449      4.858004
  H      -3.052293      4.968679      7.770627
  H      -1.379433      5.203950      7.206376
  H      -4.710383      1.969215      8.883581
  H      -4.790066      3.527660      8.057312
  H      -2.381128      1.618280      8.272564
  H      -2.482195      3.226810      9.023889
  C      -2.336175     -0.057455      5.146498
  N      -3.488530      0.283599      4.558129
  C      -4.286957     -0.400488      3.648500
  O      -5.034039      0.251121      2.922986
  C      -4.201285     -1.886887      3.609445
  C      -4.373728     -2.531187      2.375382
  C      -4.325773     -3.921036      2.309188
  C      -4.127025     -4.683543      3.464536
  C      -3.979681     -4.031443      4.689056
  Br     -3.741507     -5.053786      6.277770
  C      -4.010129     -2.641185      4.778334
  C      -5.234140      4.657711      5.003934
  N      -5.708800      5.866336      5.116291
  C      -7.032049      6.012233      4.659441
  O      -7.559254      5.272963      3.825631
  C      -7.768481      7.164900      5.257719
  C      -9.005257      7.540093      4.715363
  C      -9.725191      8.589048      5.281788
  C      -9.235432      9.261780      6.405603
  C      -8.010392      8.865927      6.943776
  Br     -7.344067      9.751721      8.502199
  C      -7.262574      7.838618      6.379599
  C      -5.907356      1.818997      6.383978
  N      -6.862354      2.396427      7.043295
  C      -8.128479      2.394140      6.416655
  O      -8.515406      1.523906      5.641548
  C      -8.956110      3.584471      6.774120
  C      -8.659087      4.382622      7.889285
  C      -9.460355      5.482549      8.192759
  C     -10.549475      5.807898      7.383077
  C     -10.818846      5.017571      6.262276
  Br    -12.277147      5.490208      5.126167
  C     -10.043101      3.909378      5.948048
  H      -1.818373     -1.024102      5.076403
  H      -4.547140     -1.930946      1.482028
  H      -4.450709     -4.426680      1.350656
  H      -4.098575     -5.771946      3.414281
  H      -3.938076     -2.158202      5.752730
  H      -5.889715      3.839756      4.649858
  H      -9.390741      6.991406      3.856220
  H     -10.685884      8.883939      4.857039
  H      -9.795929     10.082229      6.854290
  H      -6.302086      7.545749      6.799332
  H      -6.088143      1.336297      5.402556
  H      -7.807257      4.123751      8.516353
  H      -9.237315      6.102392      9.062652
  H     -11.176505      6.669382      7.609812
  H     -10.239810      3.305868      5.062917
  N      -2.301508      2.718688      3.753425
  N      -1.666001      2.860679      2.655412
  H      -1.986108      3.533654      1.953091
  H      -0.864528      2.262662      2.437271
75
Coordinates from ORCA-job orca E -13838.820878529983
  N      -1.899901      0.977494      5.849535
  Mo     -3.326183      2.364271      5.205493
  N      -4.615740      1.903104      6.754142
  C      -4.315272      2.573979      8.022010
  C      -2.808964      2.650906      8.156589
  N      -2.190031      3.245246      6.911288
  C      -0.758526      2.821507      6.794924
  C      -0.692322      1.300744      6.566875
  C      -2.331577      4.757897      6.942301
  C      -2.909028      5.261099      5.629871
  N      -3.945186      4.309928      5.263960
  H       0.211732      1.048433      5.991008
  H      -0.648310      0.746748      7.517444
  H      -0.334856      3.360754      5.938636
  H      -0.210022      3.114162      7.703243
  H      -3.332922      6.269065      5.745672
  H      -2.144369      5.286755      4.835927
  H      -3.035715      4.991614      7.749900
  H      -1.359349      5.207037      7.187066
  H      -4.735387      2.015750      8.873163
  H      -4.795800      3.567956      8.035176
  H      -2.405530      1.640958      8.286995
  H      -2.500353      3.258323      9.020328
  C      -2.340607     -0.067453      5.177296
  N      -3.485848      0.278685      4.577821
  C      -4.279331     -0.389564      3.653498
  O      -5.017272      0.279190      2.933240
  C      -4.199943     -1.874912      3.591314
  C      -4.368543     -2.497748      2.345732
  C      -4.323772     -3.886323      2.256354
  C      -4.131957     -4.668416      3.399364
  C      -3.988487     -4.037463      4.635347
  Br     -3.759886     -5.087298      6.207336
  C      -4.016066     -2.649059      4.748006
  C      -5.218207      4.648892      5.004254
  N      -5.697084      5.856791      5.108278
  C      -7.030066      5.983488      4.670381
  O      -7.565433      5.220192      3.864247
  C      -7.765185      7.144811      5.252155
  C      -9.017880      7.489900      4.726621
  C      -9.738692      8.545116      5.279636
  C      -9.233845      9.254372      6.373441
  C      -7.991919      8.889809      6.894765
  Br     -7.303502      9.827255      8.412381
  C      -7.243408      7.856408      6.342907
  C      -5.927258      1.824816      6.396301
  N      -6.874431      2.401871      7.066858
  C      -8.154633      2.377973      6.471867
  O      -8.558383      1.480695      5.737185
  C      -8.975021      3.577723      6.812841
  C      -8.656542      4.403987      7.901032
  C      -9.450800      5.512582      8.190680
  C     -10.553916      5.818668      7.392856
  C     -10.844630      4.999933      6.298500
  Br    -12.321142      5.447340      5.175311
  C     -10.076944      3.882177      5.999119
  H      -1.824743     -1.035730      5.116811
  H      -4.536245     -1.881930      1.462078
  H      -4.445771     -4.375294      1.288959
  H      -4.105893     -5.755769      3.330874
  H      -3.947678     -2.182762      5.730624
  H      -5.875582      3.825154      4.667627
  H      -9.414681      6.912971      3.891594
  H     -10.712209      8.815785      4.868399
  H      -9.796006     10.078612      6.812638
  H      -6.270269      7.587388      6.749018
  H      -6.121267      1.326967      5.426655
  H      -7.793854      4.160016      8.518908
  H      -9.211123      6.154113      9.040029
  H     -11.174677      6.687575      7.607840
  H     -10.291071      3.255806      5.134214
  N      -2.265118      2.701787      3.772247
  N      -1.614373      2.847626      2.683493
  H      -1.901167      3.548734      1.994544
  H      -0.843908      2.217017      2.446545
75
Coordinates from ORCA-job orca E -13838.821947125734
  N      -1.908441      0.966759      5.884185
  Mo     -3.312574      2.363263      5.207819
  N      -4.628955      1.929338      6.745029
  C      -4.327618      2.611440      8.007693
  C      -2.822018      2.676789      8.155006
  N      -2.184622      3.252218      6.910672
  C      -0.756226      2.812144      6.814479
  C      -0.703545      1.287443      6.607343
  C      -2.312541      4.766401      6.923165
  C      -2.884889      5.259136      5.603296
  N      -3.923440      4.307691      5.244437
  H       0.202873      1.017952      6.043256
  H      -0.673489      0.746953      7.566109
  H      -0.318237      3.335181      5.955364
  H      -0.214972      3.111831      7.724783
  H      -3.305071      6.269769      5.708245
  H      -2.117871      5.272380      4.811717
  H      -3.016076      5.015864      7.726525
  H      -1.336874      5.209856      7.164010
  H      -4.758597      2.064745      8.860763
  H      -4.798888      3.609840      8.010294
  H      -2.429416      1.664689      8.299864
  H      -2.516344      3.290696      9.015116
  C      -2.345027     -0.077319      5.209203
  N      -3.482500      0.273929      4.597254
  C      -4.269511     -0.377014      3.657327
  O      -4.995675      0.309901      2.940785
  C      -4.198816     -1.860972      3.573113
  C      -4.362691     -2.463521      2.316872
  C      -4.323476     -3.850699      2.206118
  C      -4.141798     -4.650962      3.337882
  C      -4.002953     -4.039973      4.584358
  Br     -3.787963     -5.115361      6.140820
  C      -4.025434     -2.653583      4.718549
  C      -5.200933      4.642946      5.002054
  N      -5.682407      5.850394      5.098980
  C      -7.022619      5.961296      4.673980
  O      -7.561769      5.179273      3.889038
  C      -7.759350      7.128209      5.241057
  C      -9.023861      7.446613      4.726964
  C      -9.749488      8.504633      5.267487
  C      -9.237729      9.243412      6.337958
  C      -7.982994      8.906921      6.847419
  Br     -7.283814      9.886820      8.332515
  C      -7.229742      7.870975      6.306916
  C      -5.944237      1.832042      6.408423
  N      -6.882791      2.409262      7.091361
  C      -8.175721      2.364869      6.527398
  O      -8.591709      1.445375      5.827609
  C      -8.991759      3.570291      6.855886
  C      -8.657940      4.417448      7.923023
  C      -9.448442      5.531199      8.202746
  C     -10.562271      5.822202      7.414554
  C     -10.868272      4.982449      6.340775
  Br    -12.358629      5.410640      5.228153
  C     -10.105680      3.858377      6.052643
  H      -1.831951     -1.047682      5.159265
  H      -4.522218     -1.833242      1.442075
  H      -4.441895     -4.323954      1.230640
  H      -4.119915     -5.737116      3.252734
  H      -3.961482     -2.202875      5.708576
  H      -5.859819      3.814584      4.680902
  H      -9.425997      6.846727      3.911034
  H     -10.732585      8.753783      4.865781
  H      -9.804856     10.068233      6.769170
  H      -6.247053      7.623337      6.703408
  H      -6.152702      1.318293      5.451619
  H      -7.786760      4.185298      8.533244
  H      -9.197163      6.188820      9.036125
  H     -11.178725      6.696248      7.620529
  H     -10.332461      3.214939      5.203769
  N      -2.229214      2.683318      3.788797
  N      -1.564013      2.830357      2.708787
  H      -1.820209      3.554971      2.032382
  H      -0.825031      2.169745      2.454334
75
Coordinates from ORCA-job orca E -13838.822872483832
  N      -1.917052      0.958503      5.917376
  Mo     -3.300241      2.362242      5.204863
  N      -4.641104      1.957629      6.730484
  C      -4.340492      2.653734      7.986522
  C      -2.836262      2.709012      8.147343
  N      -2.180281      3.263158      6.903043
  C      -0.755164      2.807811      6.828416
  C      -0.715375      1.279315      6.645791
  C      -2.295460      4.778490      6.892579
  C      -2.863620      5.257195      5.564846
  N      -3.905852      4.305631      5.214851
  H       0.193637      0.992207      6.094809
  H      -0.699193      0.754831      7.613684
  H      -0.303366      3.312728      5.965589
  H      -0.221144      3.117217      7.739718
  H      -3.280427      6.270507      5.656376
  H      -2.094384      5.256599      4.775622
  H      -2.996738      5.045891      7.692168
  H      -1.316084      5.216972      7.127109
  H      -4.781987      2.120398      8.842666
  H      -4.803228      3.656022      7.976349
  H      -2.454045      1.695511      8.308515
  H      -2.533575      3.330962      9.002693
  C      -2.348463     -0.086063      5.241400
  N      -3.478468      0.267485      4.616092
  C      -4.256221     -0.369123      3.661418
  O      -4.969102      0.332547      2.944170
  C      -4.195006     -1.851923      3.561771
  C      -4.353480     -2.440730      2.298234
  C      -4.320891     -3.826940      2.173507
  C      -4.150992     -4.639439      3.298342
  C      -4.017210     -4.041932      4.551906
  Br     -3.817715     -5.134381      6.098471
  C      -4.033596     -2.656951      4.700162
  C      -5.188089      4.640680      4.995073
  N      -5.668774      5.848295      5.090061
  C      -7.017367      5.950519      4.685351
  O      -7.565213      5.158867      3.916747
  C      -7.750355      7.119454      5.252219
  C      -9.027969      7.419599      4.759541
  C      -9.752484      8.478066      5.300213
  C      -9.226174      9.235740      6.350280
  C      -7.957932      8.918268      6.838148
  Br     -7.237655      9.926261      8.293869
  C      -7.206006      7.881835      6.296536
  C      -5.959406      1.840193      6.412726
  N      -6.892531      2.415961      7.104772
  C      -8.195522      2.347358      6.566937
  O      -8.618365      1.404018      5.903913
  C      -9.012354      3.556532      6.876896
  C      -8.669001      4.428909      7.920427
  C      -9.459353      5.546856      8.183301
  C     -10.581758      5.817704      7.400235
  C     -10.897481      4.952687      6.349557
  Br    -12.398216      5.355080      5.241287
  C     -10.136384      3.823000      6.079990
  H      -1.837353     -1.058119      5.203870
  H      -4.503577     -1.800750      1.428846
  H      -4.435268     -4.289628      1.192542
  H      -4.134123     -5.724760      3.202424
  H      -3.974374     -2.216606      5.695091
  H      -5.850985      3.809035      4.692198
  H      -9.441145      6.805213      3.960108
  H     -10.745881      8.712848      4.915567
  H      -9.792879     10.059993      6.782989
  H      -6.212861      7.648996      6.675754
  H      -6.177450      1.310377      5.467916
  H      -7.790479      4.213000      8.526027
  H      -9.200996      6.224120      8.998553
  H     -11.196705      6.696074      7.591722
  H     -10.371858      3.158939      5.249555
  N      -2.196518      2.662214      3.798691
  N      -1.518037      2.806752      2.726401
  H      -1.748059      3.549464      2.060413
  H      -0.810367      2.118072      2.457940
75
Coordinates from ORCA-job orca E -13838.823677887345
  N      -1.925051      0.951665      5.950085
  Mo     -3.288198      2.360469      5.199507
  N      -4.651873      1.984242      6.713897
  C      -4.353171      2.695613      7.962747
  C      -2.850476      2.742575      8.137131
  N      -2.176904      3.275135      6.892481
  C      -0.754933      2.806671      6.839605
  C      -0.726532      1.274775      6.682630
  C      -2.281222      4.791000      6.857878
  C      -2.845548      5.254048      5.522193
  N      -3.891723      4.302456      5.180034
  H       0.184827      0.970719      6.144847
  H      -0.722997      0.767192      7.659605
  H      -0.290297      3.293124      5.972963
  H      -0.227894      3.127085      7.751150
  H      -3.258993      6.269946      5.599035
  H      -2.073807      5.239329      4.735868
  H      -2.979575      5.076486      7.653855
  H      -1.298462      5.225842      7.084858
  H      -4.804719      2.176593      8.822436
  H      -4.808557      3.701058      7.938355
  H      -2.477445      1.728547      8.314838
  H      -2.551494      3.373184      8.987428
  C      -2.350544     -0.094455      5.273981
  N      -3.473168      0.259980      4.635030
  C      -4.239564     -0.363880      3.665439
  O      -4.936343      0.350887      2.943656
  C      -4.188944     -1.845750      3.553956
  C      -4.341280     -2.424650      2.285088
  C      -4.316598     -3.810171      2.150825
  C      -4.160396     -4.631485      3.271302
  C      -4.032299     -4.043642      4.530051
  Br     -3.850711     -5.148213      6.070173
  C      -4.041371     -2.659683      4.687937
  C      -5.178000      4.640373      4.981679
  N      -5.655067      5.848821      5.076298
  C      -7.006789      5.951270      4.678124
  O      -7.555372      5.162922      3.907050
  C      -7.739579      7.116566      5.251938
  C      -9.020071      7.414092      4.764707
  C      -9.746397      8.468055      5.311328
  C      -9.219133      9.223407      6.362742
  C      -7.947642      8.909392      6.844385
  Br     -7.225254      9.916598      8.299513
  C      -7.193723      7.877675      6.296283
  C      -5.971788      1.848304      6.411937
  N      -6.900372      2.421915      7.112018
  C      -8.210530      2.335922      6.594984
  O      -8.636520      1.379855      5.952568
  C      -9.029805      3.544706      6.899213
  C      -8.683631      4.425917      7.934525
  C      -9.475641      5.543541      8.193232
  C     -10.601346      5.806849      7.412355
  C     -10.920007      4.933283      6.369512
  Br    -12.424159      5.327099      5.263066
  C     -10.158675      3.802218      6.106084
  H      -1.841034     -1.067854      5.249524
  H      -4.480327     -1.777718      1.419004
  H      -4.426373     -4.265299      1.165826
  H      -4.149527     -5.716210      3.168059
  H      -3.987266     -2.226508      5.686271
  H      -5.845231      3.808011      4.692533
  H      -9.434117      6.801139      3.964637
  H     -10.742074      8.700819      4.931315
  H      -9.788055     10.042731      6.801729
  H      -6.198027      7.647584      6.670626
  H      -6.197132      1.303362      5.478113
  H      -7.801696      4.216591      8.537446
  H      -9.215763      6.227087      9.002735
  H     -11.216224      6.686250      7.599311
  H     -10.397940      3.130267      5.283116
  N      -2.167368      2.639465      3.803729
  N      -1.477999      2.779448      2.737241
  H      -1.685048      3.537382      2.081055
  H      -0.802918      2.064212      2.454894
75
Coordinates from ORCA-job orca E -13838.824378244057
  N      -1.933872      0.949542      5.980989
  Mo     -3.279964      2.358274      5.188051
  N      -4.664408      2.013255      6.690361
  C      -4.370834      2.743521      7.930293
  C      -2.869976      2.785495      8.119158
  N      -2.178699      3.292966      6.872969
  C      -0.759322      2.814479      6.843928
  C      -0.739085      1.279657      6.716361
  C      -2.273112      4.808724      6.808557
  C      -2.833774      5.250993      5.464022
  N      -3.884823      4.298974      5.133199
  H       0.174995      0.959667      6.192663
  H      -0.746780      0.791230      7.703106
  H      -0.282956      3.281228      5.972822
  H      -0.239795      3.149549      7.754535
  H      -3.243757      6.269519      5.523064
  H      -2.060120      5.220142      4.680281
  H      -2.967398      5.114947      7.600477
  H      -1.286859      5.240887      7.025550
  H      -4.832353      2.241059      8.794532
  H      -4.820444      3.751030      7.887572
  H      -2.504642      1.772501      8.317225
  H      -2.576082      3.428172      8.962189
  C      -2.351388     -0.100805      5.307819
  N      -3.467854      0.249971      4.655278
  C      -4.219888     -0.366761      3.672106
  O      -4.900289      0.356135      2.941357
  C      -4.178586     -1.848307      3.556992
  C      -4.324577     -2.424847      2.286368
  C      -4.306763     -3.810383      2.150676
  C      -4.163401     -4.633890      3.271408
  C      -4.041129     -4.048250      4.531825
  Br     -3.876300     -5.155607      6.071843
  C      -4.043889     -2.664419      4.691237
  C      -5.175201      4.643276      4.962290
  N      -5.643355      5.853938      5.061324
  C      -7.000937      5.964170      4.683902
  O      -7.559770      5.186533      3.909884
  C      -7.724709      7.121649      5.284286
  C      -9.015121      7.421575      4.824986
  C      -9.732888      8.468091      5.396742
  C      -9.186512      9.213577      6.445751
  C      -7.905413      8.897039      6.899371
  Br     -7.156599      9.891219      8.350203
  C      -7.160336      7.872466      6.326063
  C      -5.984919      1.855997      6.398871
  N      -6.914633      2.424454      7.101590
  C      -8.228986      2.317038      6.597982
  O      -8.653225      1.345310      5.978684
  C      -9.054133      3.525589      6.887359
  C      -8.709277      4.422209      7.910057
  C      -9.504001      5.541047      8.154285
  C     -10.629893      5.791764      7.369447
  C     -10.947240      4.903255      6.338686
  Br    -12.448758      5.282849      5.224141
  C     -10.185016      3.768769      6.092302
  H      -1.841304     -1.074265      5.298482
  H      -4.453176     -1.776255      1.419836
  H      -4.411758     -4.263893      1.164358
  H      -4.157774     -5.718610      3.167082
  H      -3.994836     -2.232575      5.690435
  H      -5.850333      3.812217      4.691199
  H      -9.443426      6.816277      4.026470
  H     -10.736088      8.703335      5.038437
  H      -9.748406     10.027031      6.904419
  H      -6.156901      7.640976      6.678512
  H      -6.209644      1.296579      5.473855
  H      -7.825596      4.224007      8.514300
  H      -9.245553      6.236279      8.954322
  H     -11.245606      6.673254      7.543601
  H     -10.425742      3.083273      5.280819
  N      -2.143948      2.613474      3.801962
  N      -1.445169      2.745521      2.739722
  H      -1.634557      3.512872      2.089296
  H      -0.801021      2.006272      2.447440
75
Coordinates from ORCA-job orca E -13838.825001023133
  N      -1.941113      0.949541      6.010527
  Mo     -3.272337      2.355217      5.176336
  N      -4.675011      2.039519      6.668345
  C      -4.386965      2.788895      7.898757
  C      -2.887614      2.828055      8.100444
  N      -2.181383      3.311028      6.852202
  C      -0.763959      2.825932      6.845412
  C      -0.749002      1.288830      6.746108
  C      -2.268264      4.825849      6.758444
  C      -2.826061      5.246130      5.405434
  N      -3.881664      4.293375      5.085115
  H       0.166967      0.955297      6.234375
  H      -0.764525      0.818674      7.741717
  H      -0.277873      3.274392      5.970111
  H      -0.251314      3.176018      7.754263
  H      -3.232336      6.267044      5.446463
  H      -2.050766      5.199431      4.624375
  H      -2.958372      5.151835      7.546223
  H      -1.279168      5.256971      6.964547
  H      -4.857584      2.303461      8.767717
  H      -4.831861      3.797618      7.836514
  H      -2.528281      1.817125      8.318715
  H      -2.599445      3.483565      8.935537
  C      -2.350553     -0.106202      5.341579
  N      -3.462056      0.239682      4.677303
  C      -4.199281     -0.371676      3.681088
  O      -4.861697      0.358328      2.939744
  C      -4.167546     -1.853001      3.564624
  C      -4.308238     -2.429217      2.293408
  C      -4.297691     -3.814921      2.158586
  C      -4.166476     -4.638739      3.280621
  C      -4.049025     -4.053253      4.541634
  Br     -3.900054     -5.160817      6.083112
  C      -4.045087     -2.669397      4.700313
  C      -5.174724      4.646788      4.937354
  N      -5.630638      5.860581      5.041722
  C      -6.987524      5.988716      4.666903
  O      -7.546284      5.236784      3.868208
  C      -7.706555      7.132828      5.297556
  C      -8.992116      7.456359      4.840654
  C      -9.705159      8.490337      5.440474
  C      -9.159487      9.198346      6.515548
  C      -7.883153      8.858735      6.965685
  Br     -7.135171      9.801987      8.450629
  C      -7.142138      7.847196      6.364449
  C      -5.994307      1.863784      6.383435
  N      -6.925944      2.426538      7.088182
  C      -8.241737      2.305469      6.592168
  O      -8.661547      1.329617      5.976588
  C      -9.073920      3.509655      6.881838
  C      -8.737560      4.403566      7.910033
  C      -9.537753      5.518065      8.155188
  C     -10.659491      5.768915      7.364330
  C     -10.968184      4.883825      6.327947
  Br    -12.462879      5.265098      5.205181
  C     -10.201767      3.751768      6.082368
  H      -1.839319     -1.079121      5.346415
  H      -4.426767     -1.780419      1.425583
  H      -4.398722     -4.268396      1.171834
  H      -4.166370     -5.723541      3.176879
  H      -4.000170     -2.237185      5.699518
  H      -5.857908      3.820265      4.676951
  H      -9.420218      6.879073      4.021503
  H     -10.704488      8.744354      5.084146
  H      -9.718758     10.000414      6.996830
  H      -6.142161      7.598082      6.714780
  H      -6.216857      1.292298      5.465411
  H      -7.855937      4.206226      8.517525
  H      -9.286561      6.210234      8.960188
  H     -11.278538      6.648132      7.538375
  H     -10.438412      3.066961      5.269026
  N      -2.125871      2.586806      3.795811
  N      -1.421935      2.709826      2.734846
  H      -1.598024      3.483751      2.088609
  H      -0.809187      1.948925      2.431203
75
Coordinates from ORCA-job orca E -13838.825556784348
  N      -1.950399      0.954711      6.040914
  Mo     -3.267074      2.352046      5.159194
  N      -4.688885      2.070973      6.638932
  C      -4.409373      2.843464      7.857359
  C      -2.911727      2.882300      8.073684
  N      -2.189075      3.335873      6.823016
  C      -0.773308      2.846085      6.842261
  C      -0.761772      1.307259      6.776025
  C      -2.267474      4.848823      6.693774
  C      -2.820062      5.241376      5.330377
  N      -3.880898      4.287784      5.024085
  H       0.156589      0.960085      6.277883
  H      -0.784966      0.858472      7.781428
  H      -0.276854      3.274296      5.962663
  H      -0.269140      3.214667      7.748545
  H      -3.221375      6.264945      5.349148
  H      -2.042759      5.175251      4.552960
  H      -2.954190      5.197968      7.474662
  H      -1.275539      5.278714      6.888787
  H      -4.890524      2.378245      8.731485
  H      -4.849442      3.852623      7.770587
  H      -2.557925      1.875238      8.317508
  H      -2.631238      3.554791      8.897834
  C      -2.350038     -0.109179      5.379866
  N      -3.457242      0.228096      4.703206
  C      -4.177100     -0.382417      3.694670
  O      -4.820068      0.351781      2.939405
  C      -4.154104     -1.863807      3.582652
  C      -4.289052     -2.444195      2.312830
  C      -4.284926     -3.830489      2.183695
  C      -4.165460     -4.650591      3.309761
  C      -4.053318     -4.060805      4.569354
  Br     -3.919897     -5.163024      6.116045
  C      -4.043528     -2.676443      4.722522
  C      -5.175809      4.652468      4.901548
  N      -5.616124      5.870136      5.014931
  C      -6.974108      6.021034      4.654683
  O      -7.539588      5.302894      3.830379
  C      -7.682932      7.143474      5.333979
  C      -8.969638      7.492768      4.900038
  C      -9.671073      8.506826      5.546126
  C      -9.112831      9.167788      6.644481
  C      -7.835904      8.801824      7.071426
  Br     -7.070979      9.678907      8.588064
  C      -7.106201      7.810351      6.424551
  C      -6.005928      1.875253      6.356148
  N      -6.943182      2.432184      7.058018
  C      -8.258295      2.295488      6.564471
  O      -8.670821      1.313719      5.953695
  C      -9.099772      3.494810      6.849990
  C      -8.775802      4.388244      7.882822
  C      -9.582644      5.498746      8.123497
  C     -10.697393      5.747682      7.322043
  C     -10.993078      4.864056      6.280680
  Br    -12.475733      5.245098      5.142178
  C     -10.221574      3.733858      6.041389
  H      -1.835969     -1.080386      5.401181
  H      -4.397799     -1.798307      1.441541
  H      -4.381639     -4.287479      1.198104
  H      -4.170230     -5.735805      3.210232
  H      -4.003090     -2.240486      5.720280
  H      -5.869303      3.831873      4.654242
  H      -9.407176      6.951210      4.061576
  H     -10.670974      8.781829      5.207258
  H      -9.663300      9.953859      7.161091
  H      -6.105289      7.541496      6.757354
  H      -6.220483      1.291724      5.444080
  H      -7.898055      4.193631      8.496814
  H      -9.341531      6.189757      8.932590
  H     -11.320936      6.624589      7.491811
  H     -10.450781      3.048371      5.226377
  N      -2.109611      2.555673      3.785539
  N      -1.400323      2.665935      2.725485
  H      -1.567955      3.439603      2.076781
  H      -0.813884      1.886624      2.416975
75
Coordinates from ORCA-job orca E -13838.826045949932
  N      -1.959779      0.961082      6.072412
  Mo     -3.261496      2.348137      5.144285
  N      -4.701453      2.103192      6.612646
  C      -4.429303      2.898832      7.818000
  C      -2.933204      2.937637      8.047559
  N      -2.195644      3.360681      6.794498
  C      -0.781636      2.866805      6.839027
  C      -0.773762      1.326902      6.805659
  C      -2.265089      4.870943      6.629635
  C      -2.812100      5.234838      5.255907
  N      -3.878220      4.280616      4.964772
  H       0.146183      0.966473      6.320059
  H      -0.803424      0.899689      7.820298
  H      -0.275082      3.274907      5.955641
  H      -0.285527      3.253511      7.742202
  H      -3.207305      6.260962      5.252134
  H      -2.033144      5.148369      4.482403
  H      -2.949410      5.243172      7.402016
  H      -1.270594      5.299413      6.814536
  H      -4.921016      2.454938      8.697147
  H      -4.863287      3.908143      7.705500
  H      -2.585148      1.935318      8.317962
  H      -2.660084      3.628044      8.859280
  C      -2.350789     -0.111454      5.420606
  N      -3.454231      0.217404      4.732940
  C      -4.156599     -0.391888      3.711748
  O      -4.779198      0.347884      2.943956
  C      -4.142368     -1.872869      3.602081
  C      -4.273829     -2.454790      2.332617
  C      -4.276124     -3.841335      2.206205
  C      -4.166132     -4.659910      3.334263
  C      -4.057018     -4.068440      4.593460
  Br     -3.936070     -5.168522      6.142602
  C      -4.041373     -2.683977      4.744082
  C      -5.173834      4.656785      4.864319
  N      -5.598793      5.878026      4.987802
  C      -6.955476      6.053389      4.637234
  O      -7.523088      5.374661      3.781827
  C      -7.657388      7.150389      5.363689
  C      -8.937848      7.533204      4.940354
  C      -9.630763      8.525043      5.628826
  C      -9.070983      9.128407      6.758979
  C      -7.800888      8.728142      7.175240
  Br     -7.034590      9.523972      8.735354
  C      -7.078995      7.759186      6.486808
  C      -6.015870      1.891035      6.331218
  N      -6.958234      2.443905      7.029789
  C      -8.272014      2.292907      6.538829
  O      -8.676976      1.307603      5.928581
  C      -9.123842      3.485491      6.824313
  C      -8.813543      4.375097      7.864754
  C      -9.629075      5.479098      8.105229
  C     -10.738259      5.726272      7.295348
  C     -11.019691      4.847376      6.246321
  Br    -12.494042      5.227027      5.096556
  C     -10.240085      3.722356      6.007781
  H      -1.833961     -1.080742      5.456370
  H      -4.374544     -1.809955      1.459603
  H      -4.370337     -4.299744      1.221029
  H      -4.175752     -5.745264      3.236585
  H      -4.003520     -2.246366      5.741190
  H      -5.877225      3.843003      4.626139
  H      -9.376326      7.035888      4.075300
  H     -10.625466      8.826970      5.297647
  H      -9.615437      9.896495      7.308039
  H      -6.082698      7.464601      6.811671
  H      -6.223314      1.297140      5.424454
  H      -7.939011      4.182738      8.484037
  H      -9.398729      6.166444      8.920536
  H     -11.368626      6.598300      7.464955
  H     -10.460066      3.039290      5.188165
  N      -2.094273      2.522719      3.776269
  N      -1.381291      2.618775      2.716311
  H      -1.544324      3.387786      2.060909
  H      -0.817453      1.824076      2.405071
75
Coordinates from ORCA-job orca E -13838.826503083914
  N      -1.972511      0.966027      6.110650
  Mo     -3.255206      2.341911      5.133647
  N      -4.715107      2.137637      6.589266
  C      -4.449024      2.958423      7.779410
  C      -2.954729      2.995717      8.023216
  N      -2.201050      3.384671      6.768671
  C      -0.789973      2.884501      6.840413
  C      -0.789132      1.344084      6.842485
  C      -2.258602      4.891332      6.566241
  C      -2.798062      5.225319      5.181583
  N      -3.869860      4.271287      4.907087
  H       0.131993      0.968059      6.371207
  H      -0.827277      0.940934      7.866615
  H      -0.271473      3.270154      5.953914
  H      -0.302106      3.289439      7.740081
  H      -3.185579      6.254004      5.153800
  H      -2.017063      5.116341      4.413287
  H      -2.941987      5.288180      7.327227
  H      -1.261336      5.316663      6.743171
  H      -4.952733      2.538734      8.663444
  H      -4.874174      3.967947      7.638570
  H      -2.614322      1.999013      8.322842
  H      -2.688479      3.705317      8.820572
  C      -2.355948     -0.115223      5.469076
  N      -3.454573      0.206310      4.769288
  C      -4.137407     -0.399019      3.732862
  O      -4.737205      0.350079      2.954780
  C      -4.130956     -1.878659      3.617754
  C      -4.257971     -2.454290      2.344848
  C      -4.265733     -3.840205      2.212329
  C      -4.165218     -4.664099      3.337288
  C      -4.060112     -4.078759      4.599847
  Br     -3.951899     -5.186397      6.144365
  C      -4.039602     -2.695157      4.756747
  C      -5.165679      4.657188      4.828081
  N      -5.578883      5.880741      4.961374
  C      -6.935991      6.073296      4.625718
  O      -7.507703      5.425824      3.749186
  C      -7.632490      7.146317      5.392072
  C      -8.910593      7.550670      4.982612
  C      -9.597569      8.522000      5.705293
  C      -9.034521      9.082261      6.855744
  C      -7.767420      8.659400      7.258574
  Br     -6.996817      9.394616      8.845999
  C      -7.051057      7.710921      6.536637
  C      -6.027585      1.911662      6.311244
  N      -6.972502      2.465128      7.006338
  C      -8.286326      2.299085      6.522909
  O      -8.686015      1.307669      5.918761
  C      -9.148040      3.485160      6.807442
  C      -8.847123      4.376061      7.849597
  C      -9.671785      5.473331      8.089198
  C     -10.780076      5.713365      7.275774
  C     -11.051725      4.833827      6.224994
  Br    -12.525161      5.204017      5.070739
  C     -10.263503      3.714353      5.987959
  H      -1.836967     -1.082741      5.518105
  H      -4.350701     -1.805007      1.474256
  H      -4.356732     -4.293867      1.224642
  H      -4.178984     -5.748954      3.234616
  H      -4.005290     -2.262177      5.755973
  H      -5.877557      3.848832      4.599197
  H      -9.351145      7.087101      4.099956
  H     -10.590120      8.841458      5.384258
  H      -9.574335      9.834406      7.430870
  H      -6.056368      7.399784      6.851213
  H      -6.230725      1.306063      5.411684
  H      -7.972258      4.190198      8.470407
  H      -9.448612      6.161090      8.906129
  H     -11.417549      6.580436      7.444329
  H     -10.477211      3.029803      5.167905
  N      -2.076297      2.484557      3.773926
  N      -1.357783      2.564861      2.715453
  H      -1.516707      3.325963      2.049794
  H      -0.811562      1.757260      2.406028
75
Coordinates from ORCA-job orca E -13838.826980544380
  N      -1.987293      0.972036      6.155529
  Mo     -3.247265      2.334051      5.126209
  N      -4.727685      2.175881      6.569030
  C      -4.467251      3.025405      7.740403
  C      -2.975120      3.059854      7.999612
  N      -2.204750      3.410072      6.744487
  C      -0.797744      2.902264      6.845554
  C      -0.806912      1.362045      6.886584
  C      -2.248752      4.911443      6.501493
  C      -2.778760      5.212935      5.105285
  N      -3.855981      4.259262      4.847957
  H       0.115142      0.968130      6.432113
  H      -0.855765      0.986272      7.920507
  H      -0.265824      3.262391      5.956382
  H      -0.318103      3.326191      7.740881
  H      -3.157900      6.243695      5.051566
  H      -1.994926      5.079880      4.344075
  H      -2.932916      5.334346      7.247755
  H      -1.249003      5.333298      6.672289
  H      -4.984323      2.634137      8.629458
  H      -4.881048      4.034421      7.566551
  H      -2.644565      2.070032      8.331598
  H      -2.714802      3.790210      8.780041
  C      -2.363930     -0.118672      5.526307
  N      -3.456627      0.195458      4.812818
  C      -4.117795     -0.403351      3.759098
  O      -4.693284      0.358824      2.973715
  C      -4.120750     -1.880702      3.633069
  C      -4.245500     -2.444393      2.354341
  C      -4.260023     -3.828938      2.209575
  C      -4.168011     -4.662883      3.327709
  C      -4.064559     -4.089270      4.595944
  Br     -3.967593     -5.211354      6.130491
  C      -4.037962     -2.707334      4.765237
  C      -5.151205      4.654475      4.788340
  N      -5.554956      5.879341      4.933308
  C      -6.913533      6.084992      4.615977
  O      -7.491197      5.464950      3.723679
  C      -7.604701      7.133667      5.419610
  C      -8.882591      7.553799      5.026266
  C      -9.565170      8.503634      5.780771
  C      -8.998148      9.025949      6.946846
  C      -7.731721      8.586575      7.333878
  Br     -6.955945      9.267788      8.942625
  C      -7.019350      7.659740      6.580585
  C      -6.037572      1.939088      6.293044
  N      -6.985242      2.496969      6.981935
  C      -8.298621      2.314792      6.506719
  O      -8.691878      1.316651      5.908574
  C      -9.172600      3.491916      6.791443
  C      -8.880205      4.386926      7.832458
  C      -9.717592      5.474159      8.073122
  C     -10.829715      5.700862      7.261006
  C     -11.092665      4.817765      6.211305
  Br    -12.573095      5.168963      5.059712
  C     -10.291839      3.707347      5.973599
  H      -1.843131     -1.084422      5.588447
  H      -4.330906     -1.786741      1.489340
  H      -4.349579     -4.273396      1.217603
  H      -4.186883     -5.746681      3.215388
  H      -4.005282     -2.283324      5.768324
  H      -5.870626      3.851130      4.567639
  H      -9.326024      7.120116      4.129987
  H     -10.557366      8.835836      5.471921
  H      -9.534445      9.761042      7.546715
  H      -6.024729      7.336368      6.883245
  H      -6.237702      1.319737      5.402447
  H      -8.001677      4.212258      8.451337
  H      -9.500652      6.164555      8.889444
  H     -11.477096      6.560502      7.430024
  H     -10.499639      3.019128      5.155114
  N      -2.056432      2.440371      3.774817
  N      -1.332233      2.501205      2.718220
  H      -1.486234      3.251567      2.039193
  H      -0.802127      1.680995      2.413895
75
Coordinates from ORCA-job orca E -13838.827483846411
  N      -2.002659      0.981183      6.209558
  Mo     -3.236596      2.324245      5.123246
  N      -4.736378      2.220393      6.554057
  C      -4.480681      3.103198      7.701641
  C      -2.991040      3.133452      7.976406
  N      -2.204704      3.439260      6.720995
  C      -0.802944      2.922903      6.853016
  C      -0.825238      1.384050      6.939148
  C      -2.234172      4.932956      6.432789
  C      -2.753486      5.197403      5.024447
  N      -3.835600      4.243807      4.785867
  H       0.097172      0.969229      6.504551
  H      -0.886734      1.041108      7.983537
  H      -0.257030      3.252844      5.960780
  H      -0.330555      3.367856      7.741980
  H      -3.124089      6.229336      4.941764
  H      -1.965954      5.038199      4.272554
  H      -2.920580      5.383715      7.160616
  H      -1.232285      5.351490      6.598643
  H      -5.011870      2.745408      8.596083
  H      -4.880477      4.110408      7.489445
  H      -2.672292      2.152334      8.343994
  H      -2.734325      3.886298      8.736427
  C      -2.373875     -0.120631      5.596957
  N      -3.460355      0.184934      4.869171
  C      -4.099541     -0.403245      3.796938
  O      -4.647756      0.378261      3.008525
  C      -4.114799     -1.876687      3.651522
  C      -4.241133     -2.419910      2.363662
  C      -4.265351     -3.801783      2.197680
  C      -4.180866     -4.652749      3.303384
  C      -4.075084     -4.099321      4.580531
  Br     -3.988223     -5.245878      6.097100
  C      -4.039481     -2.720468      4.771142
  C      -5.129481      4.647585      4.741920
  N      -5.526237      5.872788      4.900295
  C      -6.886486      6.088617      4.601476
  O      -7.470262      5.495169      3.695158
  C      -7.573485      7.110542      5.441866
  C      -8.850754      7.545756      5.063282
  C      -9.531164      8.471476      5.848866
  C      -8.963189      8.953673      7.031385
  C      -7.697919      8.498595      7.403859
  Br     -6.921653      9.121627      9.035655
  C      -6.987120      7.596505      6.619807
  C      -6.043121      1.975567      6.278874
  N      -6.994089      2.541523      6.958231
  C      -8.305934      2.341525      6.489905
  O      -8.689204      1.337009      5.894520
  C      -9.196595      3.504877      6.777684
  C      -8.915730      4.403645      7.818410
  C      -9.770904      5.475879      8.063046
  C     -10.889202      5.684622      7.254609
  C     -11.140906      4.797997      6.205412
  Br    -12.633074      5.122491      5.060666
  C     -10.321995      3.701757      5.963738
  H      -1.850442     -1.083972      5.672628
  H      -4.319930     -1.748174      1.509001
  H      -4.356600     -4.230388      1.198974
  H      -4.207189     -5.734516      3.174625
  H      -4.005508     -2.312047      5.780580
  H      -5.855019      3.848751      4.526156
  H      -9.295188      7.143688      4.153007
  H     -10.522506      8.816040      5.551293
  H      -9.497839      9.668849      7.656158
  H      -5.993192      7.261089      6.911806
  H      -6.241092      1.340274      5.399222
  H      -8.031865      4.243993      8.433669
  H      -9.561846      6.169117      8.878906
  H     -11.550173      6.533373      7.426385
  H     -10.520854      3.010351      5.145776
  N      -2.034774      2.387541      3.780268
  N      -1.305339      2.422537      2.725581
  H      -1.453922      3.157389      2.028444
  H      -0.789119      1.589513      2.432267
75
Coordinates from ORCA-job orca E -13838.828057915111
  N      -2.012911      0.991437      6.276337
  Mo     -3.220647      2.310510      5.133918
  N      -4.734360      2.267493      6.556412
  C      -4.480025      3.183819      7.677403
  C      -2.992676      3.208707      7.963732
  N      -2.195048      3.468366      6.707063
  C      -0.799188      2.943137      6.866986
  C      -0.836929      1.407086      7.001775
  C      -2.211528      4.952066      6.372119
  C      -2.721516      5.176835      4.952426
  N      -3.806981      4.222338      4.734152
  H       0.084447      0.969568      6.587887
  H      -0.910813      1.100925      8.056430
  H      -0.241369      3.239639      5.970563
  H      -0.330637      3.409470      7.747019
  H      -3.084998      6.208441      4.839702
  H      -1.929919      4.991217      4.211371
  H      -2.901226      5.429701      7.079497
  H      -1.208167      5.368462      6.533782
  H      -5.022586      2.859694      8.577387
  H      -4.865580      4.187909      7.427652
  H      -2.685944      2.237297      8.365411
  H      -2.734408      3.982761      8.701651
  C      -2.381739     -0.122392      5.684689
  N      -3.463874      0.174493      4.945977
  C      -4.086262     -0.390922      3.854163
  O      -4.609315      0.423895      3.078114
  C      -4.120700     -1.856507      3.669794
  C      -4.264933     -2.360353      2.367137
  C      -4.305605     -3.736176      2.160879
  C      -4.219152     -4.619188      3.240949
  C      -4.094416     -4.104666      4.532713
  Br     -4.004727     -5.296865      6.012891
  C      -4.042795     -2.732555      4.763526
  C      -5.099318      4.631272      4.698743
  N      -5.494377      5.855737      4.867346
  C      -6.856260      6.074668      4.580818
  O      -7.444082      5.496335      3.667415
  C      -7.542963      7.077252      5.444136
  C      -8.820640      7.518203      5.072658
  C      -9.504624      8.425329      5.876404
  C      -8.940636      8.882424      7.070440
  C      -7.675180      8.421922      7.435606
  Br     -6.905866      9.006210      9.084791
  C      -6.960263      7.539552      6.633339
  C      -6.038369      2.018249      6.283859
  N      -6.992644      2.593190      6.953274
  C      -8.302117      2.370669      6.491754
  O      -8.670187      1.358044      5.898362
  C      -9.215224      3.514583      6.781496
  C      -8.949169      4.421799      7.818287
  C      -9.827146      5.474915      8.064348
  C     -10.953493      5.657043      7.260817
  C     -11.191657      4.761196      6.216468
  Br    -12.699981      5.044592      5.081384
  C     -10.349314      3.683407      5.973153
  H      -1.852772     -1.082012      5.769576
  H      -4.344396     -1.662491      1.533861
  H      -4.411428     -4.134320      1.151175
  H      -4.258319     -5.696377      3.081274
  H      -3.994356     -2.354361      5.784055
  H      -5.827486      3.835037      4.481823
  H      -9.263049      7.135607      4.153310
  H     -10.495924      8.774631      5.584716
  H      -9.478481      9.580394      7.711511
  H      -5.966281      7.199832      6.920206
  H      -6.237265      1.367552      5.415786
  H      -8.058024      4.285002      8.428424
  H      -9.627459      6.175687      8.875952
  H     -11.630877      6.492881      7.432816
  H     -10.535656      2.985378      5.157974
  N      -2.010758      2.326217      3.797552
  N      -1.278706      2.329328      2.744140
  H      -1.423939      3.042670      2.024101
  H      -0.774669      1.483344      2.466910
75
Coordinates from ORCA-job orca E -13838.828853062727
  N      -2.011534      1.005001      6.363296
  Mo     -3.194978      2.290759      5.163275
  N      -4.714706      2.319819      6.583678
  C      -4.457858      3.273035      7.672425
  C      -2.972442      3.292815      7.964554
  N      -2.169670      3.500511      6.703681
  C      -0.780190      2.966584      6.888403
  C      -0.834878      1.435564      7.079448
  C      -2.175842      4.970299      6.315663
  C      -2.679216      5.147704      4.885313
  N      -3.766483      4.190863      4.692519
  H       0.083835      0.972932      6.687766
  H      -0.919671      1.172669      8.144583
  H      -0.213800      3.223707      5.985368
  H      -0.310799      3.456808      7.754985
  H      -3.037421      6.176667      4.737288
  H      -1.883172      4.932479      4.157472
  H      -2.869519      5.475666      6.999488
  H      -1.171679      5.386811      6.471464
  H      -5.007031      2.983813      8.579882
  H      -4.831476      4.271931      7.385339
  H      -2.677015      2.333184      8.400765
  H      -2.706211      4.088264      8.676518
  C      -2.381719     -0.123311      5.801208
  N      -3.462747      0.164193      5.056596
  C      -4.081881     -0.358232      3.947165
  O      -4.579404      0.512301      3.207656
  C      -4.149108     -1.807438      3.693339
  C      -4.335874     -2.241580      2.370096
  C      -4.406327     -3.603877      2.095445
  C      -4.306755     -4.541051      3.127816
  C      -4.138147     -4.095450      4.440162
  Br     -4.030671     -5.363823      5.853420
  C      -4.056728     -2.738037      4.739036
  C      -5.057866      4.598884      4.657595
  N      -5.459374      5.820979      4.830794
  C      -6.823825      6.030970      4.548911
  O      -7.412332      5.453408      3.635519
  C      -7.516246      7.021516      5.421313
  C      -8.796843      7.455814      5.049682
  C      -9.491968      8.348875      5.859364
  C      -8.937074      8.797960      7.060458
  C      -7.668677      8.345259      7.425189
  Br     -6.913633      8.913951      9.086322
  C      -6.942352      7.478484      6.616507
  C      -6.016264      2.067997      6.317621
  N      -6.974421      2.653557      6.975213
  C      -8.279788      2.400730      6.519296
  O      -8.625248      1.375690      5.930695
  C      -9.222704      3.519168      6.803950
  C      -8.978285      4.444490      7.829378
  C      -9.886105      5.473512      8.068489
  C     -11.021253      5.614347      7.269409
  C     -11.239570      4.699137      6.237471
  Br    -12.765043      4.920276      5.110862
  C     -10.366284      3.645121      6.000634
  H      -1.842556     -1.076923      5.891749
  H      -4.424306     -1.500204      1.576398
  H      -4.546048     -3.948320      1.070383
  H      -4.369358     -5.608005      2.915756
  H      -3.973993     -2.413463      5.775708
  H      -5.783706      3.801334      4.436028
  H      -9.234104      7.078748      4.125930
  H     -10.485266      8.692917      5.568655
  H      -9.484141      9.480736      7.709779
  H      -5.946772      7.143796      6.903753
  H      -6.219198      1.398782      5.464588
  H      -8.079444      4.342580      8.434868
  H      -9.700619      6.189895      8.869617
  H     -11.719351      6.434599      7.434701
  H     -10.533318      2.933698      5.193063
  N      -1.980462      2.249910      3.831578
  N      -1.248622      2.209630      2.779312
  H      -1.388249      2.895088      2.031353
  H      -0.754100      1.349730      2.528565
75
Coordinates from ORCA-job orca E -13838.829880670957
  N      -1.983361      1.021878      6.479874
  Mo     -3.147560      2.262357      5.226563
  N      -4.655302      2.377414      6.659295
  C      -4.388323      3.371699      7.707253
  C      -2.904127      3.386854      7.992749
  N      -2.108438      3.535198      6.721394
  C      -0.726519      2.989724      6.922932
  C      -0.801486      1.466727      7.178691
  C      -2.108199      4.985324      6.271427
  C      -2.614299      5.105429      4.832214
  N      -3.700879      4.144349      4.676277
  H       0.111330      0.975237      6.809372
  H      -0.893870      1.255184      8.254188
  H      -0.157576      3.198500      6.009197
  H      -0.247264      3.504804      7.769664
  H      -2.972310      6.127532      4.642237
  H      -1.814442      4.856357      4.119656
  H      -2.804036      5.520126      6.929961
  H      -1.103120      5.403612      6.415945
  H      -4.933982      3.117295      8.626880
  H      -4.756109      4.363064      7.385511
  H      -2.616605      2.441176      8.461575
  H      -2.617505      4.202329      8.673577
  C      -2.364039     -0.123965      5.961413
  N      -3.445158      0.155719      5.215759
  C      -4.088521     -0.284945      4.096234
  O      -4.558087      0.677940      3.442385
  C      -4.221491     -1.695586      3.723246
  C      -4.478114     -2.003921      2.374948
  C      -4.611388     -3.332754      1.985793
  C      -4.504707     -4.358930      2.929584
  C      -4.264692     -4.037638      4.266869
  Br     -4.148441     -5.430093      5.555652
  C      -4.119925     -2.715669      4.679442
  C      -4.993007      4.536632      4.630756
  N      -5.419408      5.753388      4.790070
  C      -6.788988      5.925321      4.495559
  O      -7.369449      5.314894      3.598752
  C      -7.501942      6.922049      5.343997
  C      -8.790556      7.320169      4.953808
  C      -9.514862      8.211121      5.739706
  C      -8.982431      8.693914      6.937771
  C      -7.705604      8.280650      7.319387
  Br     -6.983548      8.891376      8.980368
  C      -6.950431      7.418701      6.532773
  C      -5.955354      2.128387      6.408142
  N      -6.917692      2.727483      7.051789
  C      -8.215772      2.428854      6.599553
  O      -8.522893      1.382730      6.022299
  C      -9.202980      3.507666      6.867279
  C      -8.997040      4.464051      7.871357
  C      -9.949424      5.456451      8.090788
  C     -11.091925      5.531054      7.294185
  C     -11.274724      4.582350      6.284956
  Br    -12.815341      4.704989      5.163400
  C     -10.355364      3.564755      6.067167
  H      -1.806894     -1.067624      6.052817
  H      -4.570345     -1.191731      1.654616
  H      -4.806341     -3.580540      0.942251
  H      -4.616725     -5.400584      2.630203
  H      -3.981591     -2.487561      5.735796
  H      -5.705398      3.727046      4.404235
  H      -9.214149      6.914958      4.036245
  H     -10.514086      8.526397      5.437437
  H      -9.552561      9.368227      7.575506
  H      -5.950098      7.112137      6.833897
  H      -6.170251      1.434508      5.577536
  H      -8.092031      4.417790      8.474129
  H      -9.790452      6.199783      8.872655
  H     -11.820168      6.328537      7.442551
  H     -10.487955      2.830361      5.274257
  N      -1.935340      2.152015      3.894831
  N      -1.209263      2.048587      2.844796
  H      -1.342505      2.693759      2.060456
  H      -0.726449      1.170855      2.635732
75
Coordinates from ORCA-job orca E -13838.830820287234
  N      -1.962089      1.042118      6.594667
  Mo     -3.100317      2.233197      5.279176
  N      -4.603461      2.433053      6.709872
  C      -4.332216      3.470596      7.713563
  C      -2.851512      3.483760      8.002794
  N      -2.054214      3.569590      6.727892
  C      -0.681768      3.013402      6.957505
  C      -0.778533      1.502093      7.280566
  C      -2.043137      4.996023      6.213548
  C      -2.549256      5.057552      4.766349
  N      -3.634680      4.093345      4.642848
  H       0.129850      0.982161      6.940894
  H      -0.883203      1.344740      8.363899
  H      -0.104649      3.171108      6.038685
  H      -0.197577      3.554271      7.785401
  H      -2.907526      6.070671      4.533577
  H      -1.743271      4.776240      4.073105
  H      -2.738822      5.562942      6.844626
  H      -1.035921      5.412994      6.346509
  H      -4.879918      3.254832      8.641717
  H      -4.693774      4.451008      7.351831
  H      -2.572936      2.555240      8.508321
  H      -2.550464      4.320146      8.651490
  C      -2.348797     -0.120613      6.119431
  N      -3.422313      0.151329      5.362231
  C      -4.084179     -0.207689      4.236776
  O      -4.505479      0.839339      3.663533
  C      -4.288409     -1.568803      3.757198
  C      -4.597829     -1.756626      2.396130
  C      -4.801694     -3.042751      1.908045
  C      -4.711634     -4.143304      2.766844
  C      -4.415917     -3.940799      4.116285
  Br     -4.319475     -5.437347      5.282717
  C      -4.200591     -2.663354      4.627149
  C      -4.928091      4.469794      4.592456
  N      -5.378620      5.681106      4.735594
  C      -6.754836      5.813670      4.437373
  O      -7.330031      5.175370      3.557185
  C      -7.484554      6.810958      5.271635
  C      -8.783633      7.174633      4.875628
  C      -9.530964      8.057895      5.648730
  C      -9.012611      8.566453      6.842468
  C      -7.725548      8.190770      7.227947
  Br     -7.023674      8.834873      8.885390
  C      -6.947783      7.339570      6.452115
  C      -5.902777      2.182450      6.475398
  N      -6.869989      2.794630      7.102584
  C      -8.161572      2.450241      6.658386
  O      -8.434343      1.384325      6.096246
  C      -9.186822      3.490461      6.915614
  C      -9.010686      4.472639      7.899352
  C     -10.001157      5.429049      8.109480
  C     -11.153384      5.443415      7.324453
  C     -11.308459      4.467289      6.335626
  Br    -12.865552      4.501576      5.230430
  C     -10.349835      3.485249      6.127240
  H      -1.777718     -1.056134      6.214368
  H      -4.675283     -0.885441      1.746559
  H      -5.038510     -3.198550      0.855594
  H      -4.877989     -5.152814      2.392065
  H      -4.017506     -2.526196      5.692491
  H      -5.627969      3.646688      4.371824
  H      -9.199810      6.747634      3.965032
  H     -10.537542      8.346885      5.344633
  H      -9.599686      9.229531      7.476245
  H      -5.940549      7.060929      6.756686
  H      -6.126762      1.459190      5.672880
  H      -8.098364      4.476994      8.492701
  H      -9.863081      6.194794      8.873514
  H     -11.908643      6.217414      7.465012
  H     -10.455991      2.730738      5.349615
  N      -1.880134      2.053879      3.960716
  N      -1.151426      1.890360      2.921533
  H      -1.273247      2.496562      2.104548
  H      -0.679043      0.996891      2.759049
75
Coordinates from ORCA-job orca E -13838.831882641682
  N      -1.959024      1.065195      6.659819
  Mo     -3.071988      2.222922      5.290174
  N      -4.589023      2.469278      6.696955
  C      -4.327419      3.534568      7.674705
  C      -2.852226      3.550766      7.985188
  N      -2.037681      3.598680      6.718659
  C      -0.672094      3.041128      6.981381
  C      -0.780330      1.538604      7.344929
  C      -2.015622      5.008299      6.164354
  C      -2.512175      5.034453      4.710653
  N      -3.595783      4.067679      4.592843
  H       0.128867      1.004439      7.030896
  H      -0.898963      1.413587      8.431014
  H      -0.081502      3.169117      6.066457
  H      -0.194346      3.599968      7.801250
  H      -2.870195      6.041279      4.451729
  H      -1.697179      4.738200      4.034440
  H      -2.710599      5.597342      6.775682
  H      -1.006796      5.423087      6.292250
  H      -4.888231      3.345137      8.600854
  H      -4.682099      4.505516      7.282013
  H      -2.583341      2.635356      8.519021
  H      -2.555175      4.401846      8.616554
  C      -2.339183     -0.108146      6.206655
  N      -3.402360      0.152374      5.430216
  C      -4.064208     -0.168014      4.297493
  O      -4.430674      0.915932      3.737041
  C      -4.316244     -1.503492      3.780282
  C      -4.639891     -1.645070      2.416200
  C      -4.890431     -2.910325      1.896861
  C      -4.831770     -4.034727      2.727690
  C      -4.520259     -3.877783      4.079814
  Br     -4.461808     -5.408035      5.203707
  C      -4.259859     -2.621851      4.622272
  C      -4.890014      4.441748      4.543221
  N      -5.345549      5.651920      4.681631
  C      -6.725678      5.775233      4.390886
  O      -7.301682      5.143812      3.507023
  C      -7.457064      6.756655      5.243639
  C      -8.761618      7.119161      4.861364
  C      -9.510659      7.983809      5.653951
  C      -8.988980      8.474240      6.854223
  C      -7.697190      8.100823      7.224930
  Br     -6.991543      8.718354      8.891374
  C      -6.918167      7.269088      6.429595
  C      -5.887632      2.208098      6.468131
  N      -6.861924      2.822341      7.082038
  C      -8.150483      2.449874      6.645910
  O      -8.406541      1.377299      6.087926
  C      -9.193840      3.468038      6.912181
  C      -9.023248      4.454604      7.892424
  C     -10.030422      5.389830      8.117422
  C     -11.194809      5.379959      7.350726
  C     -11.345387      4.399158      6.364939
  Br    -12.921416      4.397090      5.286566
  C     -10.369732      3.437150      6.142890
  H      -1.766112     -1.042256      6.304072
  H      -4.691433     -0.755057      1.789890
  H      -5.138324     -3.031278      0.842446
  H      -5.033568     -5.028460      2.328925
  H      -4.064026     -2.517857      5.689098
  H      -5.587883      3.614514      4.333587
  H      -9.181501      6.705284      3.946427
  H     -10.520853      8.272841      5.361958
  H      -9.576536      9.120736      7.504438
  H      -5.907114      6.992475      6.722835
  H      -6.108074      1.464468      5.684290
  H      -8.102025      4.479869      8.471379
  H      -9.896514      6.159549      8.878330
  H     -11.963302      6.138683      7.503330
  H     -10.472421      2.676416      5.370807
  N      -1.831146      2.006881      3.994907
  N      -1.089372      1.816390      2.969727
  H      -1.202334      2.403042      2.137139
  H      -0.624152      0.914395      2.834940
75
Coordinates from ORCA-job orca E -13838.833941018611
  N      -1.933710      1.100718      6.693379
  Mo     -3.022370      2.235756      5.274952
  N      -4.574436      2.481307      6.638485
  C      -4.347709      3.561547      7.611728
  C      -2.883269      3.593636      7.967747
  N      -2.032097      3.636412      6.722201
  C      -0.669691      3.092432      7.023049
  C      -0.773150      1.592109      7.397101
  C      -2.008453      5.038413      6.155766
  C      -2.475644      5.053967      4.692405
  N      -3.544976      4.075417      4.536551
  H       0.146555      1.061761      7.108698
  H      -0.913658      1.474238      8.481789
  H      -0.058626      3.216586      6.120767
  H      -0.212728      3.661434      7.847963
  H      -2.840344      6.055526      4.422628
  H      -1.639091      4.769152      4.037242
  H      -2.710905      5.632503      6.753728
  H      -1.003495      5.460652      6.291198
  H      -4.935964      3.380650      8.523204
  H      -4.701234      4.522572      7.197180
  H      -2.622521      2.685194      8.519310
  H      -2.615329      4.452794      8.601480
  C      -2.288601     -0.080830      6.246423
  N      -3.342163      0.156314      5.444241
  C      -4.025683     -0.126023      4.314348
  O      -4.345519      0.980137      3.743750
  C      -4.361628     -1.443559      3.800512
  C      -4.742063     -1.575813      2.450450
  C      -5.071648     -2.830689      1.950716
  C      -5.034438     -3.952918      2.786682
  C      -4.664354     -3.805145      4.125417
  Br     -4.626777     -5.333389      5.253446
  C      -4.326694     -2.559924      4.649244
  C      -4.845002      4.435408      4.460942
  N      -5.312677      5.641319      4.593378
  C      -6.696301      5.754741      4.309860
  O      -7.268816      5.135773      3.416324
  C      -7.430092      6.707017      5.195882
  C      -8.742623      7.073725      4.845921
  C      -9.484663      7.904861      5.680447
  C      -8.947130      8.357075      6.889965
  C      -7.648302      7.979003      7.227597
  Br     -6.921087      8.542570      8.905007
  C      -6.877266      7.180416      6.391361
  C      -5.871221      2.198377      6.398319
  N      -6.857033      2.804442      6.996295
  C      -8.143280      2.422108      6.550208
  O      -8.391099      1.365791      5.962258
  C      -9.193126      3.424339      6.858261
  C      -9.013934      4.375407      7.872706
  C     -10.025585      5.291475      8.151614
  C     -11.204089      5.298778      7.406047
  C     -11.362427      4.356139      6.384123
  Br    -12.958285      4.379090      5.336707
  C     -10.382044      3.412618      6.109055
  H      -1.709875     -1.009278      6.357677
  H      -4.774322     -0.688212      1.818931
  H      -5.363602     -2.945946      0.906831
  H      -5.296469     -4.938392      2.402328
  H      -4.081196     -2.457621      5.706017
  H      -5.531856      3.598806      4.258377
  H      -9.173771      6.688781      3.922833
  H     -10.501079      8.198450      5.414821
  H      -9.528538      8.978156      7.570394
  H      -5.859805      6.901048      6.659079
  H      -6.073260      1.437645      5.627636
  H      -8.083997      4.386367      8.438322
  H      -9.888588      6.031378      8.941545
  H     -11.979521      6.039426      7.603973
  H     -10.492776      2.676135      5.314452
  N      -1.735055      2.022044      4.023100
  N      -0.956563      1.832872      3.023513
  H      -1.053384      2.417143      2.187215
  H      -0.477720      0.934023      2.918462
75
Coordinates from ORCA-job orca E -13838.835856218724
  N      -1.923090      1.127541      6.722564
  Mo     -2.992139      2.239128      5.259393
  N      -4.583393      2.500288      6.589315
  C      -4.379386      3.599041      7.548933
  C      -2.921507      3.639056      7.938254
  N      -2.044716      3.664817      6.712363
  C      -0.682710      3.138020      7.045421
  C      -0.779445      1.642850      7.439520
  C      -2.020624      5.057800      6.127453
  C      -2.455430      5.053442      4.657784
  N      -3.515800      4.067222      4.476895
  H       0.149448      1.115501      7.175819
  H      -0.937865      1.536257      8.522968
  H      -0.057607      3.256249      6.152005
  H      -0.243131      3.723276      7.868204
  H      -2.814603      6.053029      4.373436
  H      -1.605059      4.770681      4.019156
  H      -2.735231      5.658587      6.704487
  H      -1.021579      5.492681      6.266966
  H      -4.993365      3.441868      8.447639
  H      -4.720254      4.547891      7.100666
  H      -2.675960      2.740473      8.515185
  H      -2.677624      4.512391      8.562074
  C      -2.259398     -0.061055      6.286112
  N      -3.310101      0.157218      5.469132
  C      -3.994743     -0.108654      4.335174
  O      -4.277965      1.007722      3.759223
  C      -4.383883     -1.415015      3.830883
  C      -4.848996     -1.535037      2.507859
  C      -5.223345     -2.784233      2.026105
  C      -5.145957     -3.911834      2.850961
  C      -4.689033     -3.776674      4.164674
  Br     -4.595034     -5.311228      5.281254
  C      -4.306644     -2.538380      4.670953
  C      -4.817628      4.430869      4.373257
  N      -5.277687      5.636057      4.525025
  C      -6.657836      5.771727      4.255455
  O      -7.229639      5.187586      3.339089
  C      -7.388643      6.682100      5.187101
  C      -8.698942      7.070718      4.864052
  C      -9.431543      7.858671      5.746395
  C      -8.885467      8.245618      6.974650
  C      -7.587999      7.842573      7.286924
  Br     -6.849735      8.307998      8.989526
  C      -6.825811      7.085468      6.405078
  C      -5.872122      2.200965      6.329841
  N      -6.870528      2.803885      6.910148
  C      -8.150983      2.423982      6.452240
  O      -8.396498      1.394724      5.819905
  C      -9.207829      3.413596      6.799805
  C      -9.030677      4.329555      7.847658
  C     -10.048916      5.225672      8.166081
  C     -11.232641      5.247160      7.427624
  C     -11.386821      4.342916      6.372964
  Br    -12.990154      4.387859      5.337204
  C     -10.398924      3.420107      6.056722
  H      -1.685588     -0.989111      6.417446
  H      -4.910177     -0.645083      1.881778
  H      -5.582699     -2.890765      1.002358
  H      -5.443824     -4.891619      2.478018
  H      -3.988089     -2.441995      5.708619
  H      -5.504099      3.599633      4.154390
  H      -9.134111      6.736869      3.922330
  H     -10.447942      8.168719      5.500185
  H      -9.462534      8.833613      7.687922
  H      -5.808895      6.785605      6.653794
  H      -6.056196      1.431664      5.562707
  H      -8.097559      4.327752      8.407810
  H      -9.915430      5.936459      8.983022
  H     -12.016870      5.968641      7.656607
  H     -10.506849      2.714726      5.233514
  N      -1.674335      2.015077      4.041819
  N      -0.872107      1.817041      3.059782
  H      -0.948887      2.394867      2.217383
  H      -0.380495      0.923413      2.976505
75
Coordinates from ORCA-job orca E -13838.837222889553
  N      -1.872224      1.117996      6.683822
  Mo     -2.969532      2.251838      5.240450
  N      -4.594344      2.445899      6.556022
  C      -4.409969      3.520228      7.548464
  C      -2.953164      3.574627      7.950919
  N      -2.064057      3.647524      6.735319
  C      -0.689777      3.150651      7.063269
  C      -0.745807      1.648506      7.418974
  C      -2.059128      5.055535      6.182102
  C      -2.478020      5.078541      4.711653
  N      -3.529392      4.088261      4.492881
  H       0.198716      1.153252      7.147074
  H      -0.903329      1.500706      8.498168
  H      -0.068978      3.309905      6.172967
  H      -0.267018      3.734000      7.895916
  H      -2.840275      6.082481      4.445350
  H      -1.623356      4.823740      4.065032
  H      -2.777235      5.638732      6.772135
  H      -1.065655      5.504259      6.321740
  H      -5.035384      3.340379      8.434910
  H      -4.756653      4.473574      7.116865
  H      -2.702379      2.665769      8.510523
  H      -2.740808      4.440606      8.595834
  C      -2.189698     -0.065467      6.227056
  N      -3.247429      0.137024      5.411951
  C      -3.958127     -0.113682      4.290710
  O      -4.247280      0.994023      3.712575
  C      -4.391549     -1.423133      3.822465
  C      -4.955270     -1.558949      2.543288
  C      -5.366955     -2.815165      2.111406
  C      -5.228865     -3.933515      2.938831
  C      -4.671571     -3.782944      4.212385
  Br     -4.491070     -5.300467      5.342843
  C      -4.251278     -2.539488      4.668585
  C      -4.834196      4.451636      4.366161
  N      -5.278695      5.661739      4.504584
  C      -6.648599      5.820587      4.217629
  O      -7.204342      5.252305      3.280940
  C      -7.388210      6.728089      5.144583
  C      -8.696219      7.113522      4.825469
  C      -9.426108      7.895972      5.714211
  C      -8.876220      8.281964      6.940711
  C      -7.577866      7.879220      7.249995
  Br     -6.830612      8.345944      8.948038
  C      -6.818470      7.123573      6.363975
  C      -5.882443      2.128000      6.292984
  N      -6.881374      2.717250      6.885470
  C      -8.163519      2.367540      6.413392
  O      -8.427408      1.368861      5.746831
  C      -9.203299      3.377588      6.787043
  C      -9.019047      4.255782      7.867048
  C     -10.021786      5.162734      8.205060
  C     -11.197099      5.230939      7.453994
  C     -11.354744      4.368906      6.367521
  Br    -12.940661      4.491361      5.311027
  C     -10.382843      3.435029      6.031708
  H      -1.625211     -0.995727      6.378692
  H      -5.065335     -0.680049      1.908267
  H      -5.805695     -2.934627      1.120171
  H      -5.557224     -4.916287      2.600308
  H      -3.848396     -2.427061      5.674844
  H      -5.518791      3.622369      4.135327
  H      -9.128324      6.779603      3.881581
  H     -10.444087      8.201355      5.467984
  H      -9.455504      8.872551      7.650566
  H      -5.800141      6.826474      6.608712
  H      -6.049708      1.374061      5.507974
  H      -8.092488      4.213517      8.436202
  H      -9.887600      5.839989      9.050117
  H     -11.974778      5.953863      7.698432
  H     -10.499703      2.761844      5.182428
  N      -1.626320      2.087178      4.048429
  N      -0.800700      1.932017      3.075194
  H      -0.876141      2.535844      2.252589
  H      -0.283115      1.055526      2.982893
75
Coordinates from ORCA-job orca E -13838.837603687651
  N      -1.822751      1.129110      6.731203
  Mo     -2.919725      2.236531      5.260212
  N      -4.564321      2.455348      6.565367
  C      -4.383748      3.544852      7.541074
  C      -2.929546      3.604963      7.951622
  N      -2.034765      3.660108      6.742383
  C      -0.659486      3.177243      7.086865
  C      -0.706364      1.681556      7.466181
  C      -2.032145      5.057012      6.162316
  C      -2.436693      5.049732      4.686480
  N      -3.482810      4.053979      4.473681
  H       0.243872      1.188541      7.210370
  H      -0.872339      1.547783      8.545808
  H      -0.035370      3.326241      6.197149
  H      -0.244966      3.778522      7.910844
  H      -2.796642      6.048557      4.397572
  H      -1.575963      4.787058      4.050886
  H      -2.757384      5.649655      6.733109
  H      -1.041639      5.513674      6.298900
  H      -5.017575      3.382837      8.424430
  H      -4.722172      4.492889      7.089592
  H      -2.684463      2.704069      8.525726
  H      -2.723184      4.481173      8.584606
  C      -2.139547     -0.061590      6.295514
  N      -3.197404      0.135057      5.482205
  C      -3.942406     -0.056053      4.380120
  O      -4.199359      1.096413      3.871212
  C      -4.454109     -1.316903      3.873157
  C      -5.137348     -1.355788      2.646844
  C      -5.619799     -2.572789      2.177082
  C      -5.433406     -3.745842      2.913248
  C      -4.755170     -3.691713      4.135552
  Br     -4.507436     -5.283003      5.143973
  C      -4.263693     -2.490050      4.628115
  C      -4.785907      4.410882      4.328316
  N      -5.237394      5.619269      4.457503
  C      -6.603999      5.767581      4.154504
  O      -7.144501      5.203778      3.204529
  C      -7.365864      6.656885      5.079845
  C      -8.680803      7.011969      4.756031
  C      -9.432776      7.774275      5.644047
  C      -8.896343      8.171369      6.872285
  C      -7.590073      7.798331      7.186360
  Br     -6.859725      8.280453      8.886928
  C      -6.809601      7.061514      6.302795
  C      -5.847803      2.131272      6.305755
  N      -6.850769      2.728142      6.890128
  C      -8.125273      2.368138      6.412538
  O      -8.374094      1.374481      5.730775
  C      -9.187015      3.352174      6.797472
  C      -9.027976      4.226409      7.883823
  C     -10.055378      5.103124      8.227236
  C     -11.231949      5.144519      7.475671
  C     -11.363994      4.287762      6.382304
  Br    -12.951343      4.375659      5.323279
  C     -10.366185      3.383598      6.040430
  H      -1.579778     -0.992260      6.464197
  H      -5.283791     -0.435987      2.081220
  H      -6.153270     -2.617783      1.227085
  H      -5.817557     -4.696888      2.544416
  H      -3.761494     -2.451878      5.594485
  H      -5.461938      3.576757      4.086859
  H      -9.099446      6.669302      3.809687
  H     -10.456933      8.054233      5.393544
  H      -9.492947      8.748108      7.578847
  H      -5.786002      6.787623      6.550923
  H      -6.012459      1.368569      5.529550
  H      -8.100693      4.204359      8.453120
  H      -9.941047      5.775771      9.078656
  H     -12.030983      5.842117      7.725744
  H     -10.464150      2.715753      5.184885
  N      -1.560573      2.053223      4.092108
  N      -0.724137      1.880032      3.132423
  H      -0.778838      2.476146      2.302843
  H      -0.195228      1.008281      3.065026
75
Coordinates from ORCA-job orca E -13838.838651794271
  N      -1.852137      1.120607      6.713426
  Mo     -2.961797      2.234711      5.251850
  N      -4.601278      2.463015      6.563596
  C      -4.408937      3.546061      7.541005
  C      -2.950372      3.596805      7.940534
  N      -2.064191      3.650123      6.726763
  C      -0.686528      3.167371      7.064670
  C      -0.732409      1.672017      7.442979
  C      -2.060302      5.048284      6.148111
  C      -2.468251      5.038035      4.675117
  N      -3.526571      4.050584      4.474827
  H       0.216161      1.179206      7.180774
  H      -0.892053      1.536005      8.523286
  H      -0.067763      3.317732      6.171656
  H      -0.269443      3.770049      7.886222
  H      -2.818202      6.039733      4.383855
  H      -1.614700      4.765227      4.035392
  H      -2.784591      5.641459      6.719675
  H      -1.068404      5.501797      6.283532
  H      -5.037537      3.386854      8.428170
  H      -4.740946      4.499499      7.093568
  H      -2.705413      2.693377      8.510513
  H      -2.737215      4.471796      8.572940
  C      -2.177498     -0.066440      6.276146
  N      -3.243326      0.132819      5.474039
  C      -3.954561     -0.098575      4.350085
  O      -4.208257      1.019757      3.779571
  C      -4.408038     -1.391678      3.865513
  C      -5.082079     -1.476465      2.636284
  C      -5.508054     -2.719299      2.178851
  C      -5.274246     -3.873767      2.930017
  C      -4.606255     -3.773929      4.155126
  Br     -4.296492     -5.338699      5.187260
  C      -4.170829     -2.545667      4.634910
  C      -4.822291      4.438551      4.344829
  N      -5.243315      5.655388      4.491560
  C      -6.602799      5.847865      4.191017
  O      -7.147183      5.337203      3.212522
  C      -7.352249      6.716671      5.144528
  C      -8.659528      7.105333      4.827263
  C      -9.399262      7.858340      5.734084
  C      -8.857996      8.212594      6.972734
  C      -7.561124      7.803005      7.281176
  Br     -6.825357      8.226984      8.994244
  C      -6.792688      7.073835      6.380803
  C      -5.883515      2.142265      6.299026
  N      -6.886119      2.740655      6.885252
  C      -8.160373      2.388031      6.410466
  O      -8.418384      1.386149      5.741977
  C      -9.214505      3.385997      6.777567
  C      -9.047196      4.285064      7.841286
  C     -10.066957      5.177548      8.164703
  C     -11.244450      5.209031      7.414125
  C     -11.384383      4.327611      6.341743
  Br    -12.971488      4.403749      5.281107
  C     -10.394125      3.407212      6.020390
  H      -1.635824     -1.008164      6.443650
  H      -5.265659     -0.571401      2.058171
  H      -6.034354     -2.799041      1.227341
  H      -5.614138     -4.844884      2.570923
  H      -3.676103     -2.475267      5.603151
  H      -5.518964      3.622623      4.104647
  H      -9.079552      6.798791      3.869570
  H     -10.416290      8.165127      5.486627
  H      -9.443403      8.786721      7.690386
  H      -5.776033      6.771898      6.625487
  H      -6.046813      1.390689      5.512145
  H      -8.117731      4.270293      8.407803
  H      -9.944856      5.869523      8.999059
  H     -12.038962      5.916808      7.649318
  H     -10.502309      2.719514      5.182492
  N      -1.618225      2.046020      4.064510
  N      -0.797521      1.873516      3.092264
  H      -0.844352      2.484683      2.272793
  H      -0.270987      1.001299      3.008563
75
Coordinates from ORCA-job orca E -13838.839128226322
  N      -1.818221      1.111704      6.688069
  Mo     -2.954290      2.240351      5.258587
  N      -4.581370      2.442222      6.582023
  C      -4.388173      3.506451      7.578423
  C      -2.928002      3.559202      7.969073
  N      -2.049889      3.638348      6.749727
  C      -0.667250      3.159465      7.071684
  C      -0.700048      1.657565      7.422184
  C      -2.055649      5.045260      6.193451
  C      -2.467205      5.052515      4.720718
  N      -3.524304      4.064949      4.516294
  H       0.251202      1.177290      7.146780
  H      -0.853480      1.500372      8.500652
  H      -0.054889      3.329024      6.177551
  H      -0.249643      3.750935      7.901101
  H      -2.822208      6.055221      4.439458
  H      -1.613574      4.788542      4.077624
  H      -2.782964      5.624374      6.775534
  H      -1.065793      5.500755      6.335999
  H      -5.007583      3.323938      8.467933
  H      -4.730695      4.467921      7.156277
  H      -2.671937      2.646239      8.518391
  H      -2.713519      4.422342      8.617294
  C      -2.150881     -0.071384      6.245421
  N      -3.224059      0.130168      5.455485
  C      -3.961525     -0.089816      4.345502
  O      -4.247145      1.031607      3.795076
  C      -4.433434     -1.379031      3.865983
  C      -5.158844     -1.449541      2.664504
  C      -5.605020     -2.686332      2.209876
  C      -5.340395     -3.849789      2.937481
  C      -4.622419     -3.764255      4.134900
  Br     -4.271586     -5.341540      5.134312
  C      -4.166513     -2.541462      4.611229
  C      -4.817363      4.451158      4.378238
  N      -5.241716      5.669646      4.508742
  C      -6.599342      5.856933      4.191147
  O      -7.133640      5.342153      3.209618
  C      -7.357257      6.734731      5.130348
  C      -8.670852      7.102563      4.807816
  C      -9.416774      7.869552      5.698421
  C      -8.875044      8.260059      6.926185
  C      -7.573075      7.871622      7.240000
  Br     -6.836888      8.348778      8.939068
  C      -6.799829      7.127523      6.356102
  C      -5.865354      2.122334      6.316376
  N      -6.870041      2.713540      6.905266
  C      -8.144056      2.346508      6.437277
  O      -8.397536      1.322836      5.799520
  C      -9.200823      3.349395      6.773786
  C      -9.025365      4.295058      7.794428
  C     -10.047033      5.193518      8.094081
  C     -11.235820      5.184086      7.361756
  C     -11.385111      4.255319      6.330021
  Br    -12.988215      4.274106      5.291617
  C     -10.392963      3.328345      6.034461
  H      -1.613431     -1.015729      6.412175
  H      -5.366084     -0.537582      2.105556
  H      -6.170809     -2.754522      1.280453
  H      -5.694821     -4.816828      2.581515
  H      -3.631565     -2.484447      5.558693
  H      -5.513792      3.632215      4.146730
  H      -9.090084      6.769640      3.858712
  H     -10.437897      8.159334      5.447418
  H      -9.462664      8.848028      7.630723
  H      -5.779613      6.841569      6.605128
  H      -6.026902      1.376991      5.523806
  H      -8.087473      4.311486      8.347063
  H      -9.918062      5.921661      8.896053
  H     -12.032629      5.894509      7.580670
  H     -10.512654      2.599587      5.233747
  N      -1.612697      2.072781      4.060479
  N      -0.795825      1.915248      3.085517
  H      -0.833473      2.546381      2.280584
  H      -0.254001      1.052538      2.997677
75
Coordinates from ORCA-job orca E -13838.839592649145
  N      -1.802240      1.103902      6.690590
  Mo     -2.959862      2.230315      5.271250
  N      -4.582312      2.427963      6.596940
  C      -4.386306      3.484434      7.599703
  C      -2.924652      3.540680      7.983870
  N      -2.050646      3.629523      6.759947
  C      -0.664369      3.157676      7.076913
  C      -0.686982      1.655056      7.423319
  C      -2.062943      5.037882      6.205835
  C      -2.472722      5.040416      4.731324
  N      -3.532524      4.053494      4.535732
  H       0.267194      1.181929      7.145433
  H      -0.837487      1.493828      8.501828
  H      -0.055765      3.332659      6.181024
  H      -0.248425      3.750529      7.906163
  H      -2.826932      6.041220      4.442624
  H      -1.617711      4.771007      4.092194
  H      -2.795717      5.611463      6.786579
  H      -1.075252      5.496344      6.353453
  H      -4.999788      3.292219      8.491792
  H      -4.733703      4.450513      7.191615
  H      -2.659985      2.624780      8.524196
  H      -2.709315      4.399679      8.637489
  C      -2.143135     -0.079949      6.256014
  N      -3.220261      0.119785      5.472400
  C      -3.955622     -0.090983      4.360073
  O      -4.234617      1.037207      3.818246
  C      -4.431190     -1.373008      3.864771
  C      -5.189178     -1.418593      2.681279
  C      -5.641430     -2.645895      2.207678
  C      -5.349058     -3.825714      2.898354
  C      -4.599120     -3.765431      4.077401
  Br     -4.212172     -5.365354      5.026239
  C      -4.138016     -2.551638      4.572511
  C      -4.822267      4.445184      4.395031
  N      -5.242156      5.667376      4.507855
  C      -6.597167      5.859489      4.179846
  O      -7.127214      5.348616      3.194232
  C      -7.356383      6.742060      5.114269
  C      -8.674326      7.098366      4.791724
  C      -9.419856      7.878448      5.671487
  C      -8.873195      8.295003      6.888658
  C      -7.568156      7.917909      7.202982
  Br     -6.826472      8.431835      8.889095
  C      -6.796219      7.159574      6.330037
  C      -5.869398      2.107254      6.341056
  N      -6.867396      2.703481      6.934178
  C      -8.144925      2.326270      6.482910
  O      -8.400153      1.281769      5.879163
  C      -9.200017      3.336290      6.794349
  C      -9.012132      4.324860      7.771011
  C     -10.032872      5.231001      8.050113
  C     -11.233386      5.187127      7.339201
  C     -11.396196      4.214275      6.349784
  Br    -13.018518      4.180478      5.342299
  C     -10.405264      3.279046      6.077183
  H      -1.616325     -1.028486      6.432528
  H      -5.417252     -0.494201      2.151546
  H      -6.233166     -2.694261      1.293216
  H      -5.706807     -4.786225      2.527881
  H      -3.576788     -2.517702      5.505832
  H      -5.523358      3.626587      4.174538
  H      -9.095984      6.747600      3.850050
  H     -10.443986      8.158045      5.420884
  H      -9.459087      8.894427      7.585106
  H      -5.773824      6.881583      6.579922
  H      -6.036069      1.362029      5.550835
  H      -8.065180      4.367895      8.306552
  H      -9.893568      5.991903      8.819309
  H     -12.029482      5.902976      7.543264
  H     -10.539058      2.513642      5.313850
  N      -1.621150      2.068575      4.071326
  N      -0.806087      1.919216      3.095203
  H      -0.831587      2.566273      2.302817
  H      -0.255215      1.062710      3.005664
75
Coordinates from ORCA-job orca E -13838.839891416130
  N      -1.781161      1.093037      6.680892
  Mo     -2.965465      2.220643      5.282389
  N      -4.579820      2.405770      6.617784
  C      -4.383103      3.452634      7.629687
  C      -2.919320      3.512826      8.005483
  N      -2.053401      3.617777      6.776822
  C      -0.661933      3.154406      7.082124
  C      -0.670875      1.648788      7.416339
  C      -2.080016      5.030526      6.235790
  C      -2.484630      5.038079      4.761077
  N      -3.541922      4.048106      4.564901
  H       0.287070      1.186448      7.133082
  H      -0.817463      1.477725      8.493954
  H      -0.059022      3.341458      6.184739
  H      -0.246389      3.743215      7.914376
  H      -2.840442      6.038429      4.473514
  H      -1.627057      4.770772      4.124337
  H      -2.824843      5.588824      6.816381
  H      -1.099217      5.500044      6.393724
  H      -4.988714      3.247448      8.524547
  H      -4.739535      4.421464      7.236191
  H      -2.645468      2.592669      8.534236
  H      -2.704290      4.366009      8.666727
  C      -2.127279     -0.090530      6.251953
  N      -3.214854      0.107407      5.480711
  C      -3.957639     -0.094407      4.371441
  O      -4.242775      1.039937      3.843771
  C      -4.434445     -1.370719      3.863435
  C      -5.230247     -1.397868      2.703954
  C      -5.685785     -2.618486      2.217216
  C      -5.357557     -3.810721      2.870159
  C      -4.569086     -3.769164      4.024388
  Br     -4.130612     -5.386746      4.919651
  C      -4.105207     -2.561758      4.532829
  C      -4.829757      4.441628      4.413328
  N      -5.247781      5.665181      4.516829
  C      -6.598654      5.863653      4.179565
  O      -7.124349      5.348945      3.194109
  C      -7.357242      6.760624      5.101366
  C      -8.674361      7.113092      4.771273
  C      -9.417994      7.913980      5.633185
  C      -8.870160      8.356952      6.840730
  C      -7.566477      7.982894      7.163929
  Br     -6.823883      8.532949      8.838350
  C      -6.796729      7.202889      6.308224
  C      -5.866854      2.084596      6.360637
  N      -6.862549      2.682148      6.955186
  C      -8.142275      2.295697      6.519586
  O      -8.399677      1.234476      5.946350
  C      -9.195694      3.313648      6.808566
  C      -8.990925      4.346154      7.735608
  C     -10.007772      5.263515      7.992359
  C     -11.222290      5.185327      7.308864
  C     -11.404042      4.165201      6.371416
  Br    -13.050948      4.074774      5.408564
  C     -10.416212      3.220610      6.121500
  H      -1.608396     -1.041812      6.436887
  H      -5.485417     -0.463825      2.204222
  H      -6.307800     -2.652268      1.322353
  H      -5.716483     -4.766758      2.489058
  H      -3.511504     -2.545238      5.446492
  H      -5.532943      3.624432      4.193361
  H      -9.096126      6.744822      3.836168
  H     -10.441495      8.190376      5.376397
  H      -9.454073      8.973180      7.524212
  H      -5.775317      6.926511      6.564844
  H      -6.036407      1.339047      5.570785
  H      -8.033826      4.414584      8.249956
  H      -9.853905      6.059621      8.722066
  H     -12.015101      5.909668      7.495224
  H     -10.565023      2.418937      5.399189
  N      -1.632342      2.071548      4.072757
  N      -0.820285      1.933848      3.093236
  H      -0.839014      2.595429      2.312770
  H      -0.265294      1.081149      2.993459
75
Coordinates from ORCA-job orca E -13838.840130439381
  N      -1.760212      1.076580      6.659720
  Mo     -2.976706      2.210732      5.293258
  N      -4.579686      2.371249      6.641119
  C      -4.380775      3.403904      7.666989
  C      -2.914040      3.470251      8.030371
  N      -2.058203      3.598818      6.795265
  C      -0.660930      3.143566      7.082428
  C      -0.653552      1.633983      7.398027
  C      -2.100879      5.018382      6.273682
  C      -2.507186      5.037839      4.800180
  N      -3.563403      4.046276      4.604578
  H       0.308042      1.185331      7.105061
  H      -0.792685      1.447765      8.474199
  H      -0.067055      3.346657      6.182430
  H      -0.242721      3.724781      7.918721
  H      -2.866467      6.038482      4.518859
  H      -1.649963      4.773967      4.161143
  H      -2.853547      5.559415      6.860614
  H      -1.126171      5.497915      6.439449
  H      -4.974393      3.178803      8.565430
  H      -4.752801      4.375645      7.295340
  H      -2.627923      2.544725      8.542937
  H      -2.698463      4.315092      8.701965
  C      -2.111471     -0.105932      6.233715
  N      -3.208364      0.091652      5.473902
  C      -3.955139     -0.101339      4.366171
  O      -4.255183      1.037421      3.854677
  C      -4.427419     -1.375005      3.847232
  C      -5.241059     -1.396169      2.700039
  C      -5.694093     -2.614936      2.206994
  C      -5.344538     -3.811803      2.840813
  C      -4.537238     -3.776340      3.981808
  Br     -4.066154     -5.400614      4.848422
  C      -4.076471     -2.570504      4.497198
  C      -4.851732      4.440418      4.452469
  N      -5.265152      5.666307      4.540351
  C      -6.610752      5.871584      4.188452
  O      -7.131294      5.345731      3.206568
  C      -7.367356      6.794664      5.086622
  C      -8.679295      7.150217      4.740552
  C      -9.419899      7.980227      5.576575
  C      -8.874636      8.450136      6.775424
  C      -7.576190      8.072657      7.115545
  Br     -6.836109      8.663161      8.777501
  C      -6.809243      7.263592      6.284406
  C      -5.869441      2.048782      6.391302
  N      -6.861206      2.642800      6.993414
  C      -8.145776      2.247797      6.578206
  O      -8.409945      1.166931      6.047725
  C      -9.190549      3.283294      6.836570
  C      -8.961112      4.360926      7.705609
  C      -9.965995      5.299472      7.931930
  C     -11.194512      5.194786      7.277592
  C     -11.403106      4.126068      6.401785
  Br    -13.072688      3.992297      5.484977
  C     -10.426220      3.162911      6.182082
  H      -1.600887     -1.060151      6.426501
  H      -5.512402     -0.458313      2.216075
  H      -6.330616     -2.644120      1.322169
  H      -5.700788     -4.766885      2.454626
  H      -3.466809     -2.560706      5.400490
  H      -5.558257      3.623703      4.241244
  H      -9.099466      6.762748      3.812321
  H     -10.439122      8.260495      5.306869
  H      -9.455407      9.090456      7.439264
  H      -5.791381      6.985364      6.553281
  H      -6.043248      1.303523      5.601654
  H      -7.994774      4.447418      8.199199
  H      -9.791895      6.132077      8.614806
  H     -11.977626      5.935397      7.439596
  H     -10.594779      2.324090      5.507639
  N      -1.652911      2.085722      4.071012
  N      -0.843878      1.969972      3.085320
  H      -0.860147      2.652928      2.323465
  H      -0.286433      1.121167      2.967643
75
Coordinates from ORCA-job orca E -13838.840324098945
  N      -1.737458      1.057806      6.630257
  Mo     -2.988689      2.201373      5.306722
  N      -4.572595      2.332331      6.676473
  C      -4.368525      3.348226      7.717690
  C      -2.897477      3.419909      8.062099
  N      -2.058824      3.576038      6.818706
  C      -0.654955      3.127446      7.079070
  C      -0.631585      1.613203      7.370770
  C      -2.119953      5.003550      6.323344
  C      -2.532446      5.041494      4.853008
  N      -3.587075      4.049057      4.656484
  H       0.331979      1.178641      7.063329
  H      -0.760174      1.408301      8.444772
  H      -0.074458      3.349099      6.174771
  H      -0.228875      3.697065      7.919459
  H      -2.895870      6.044004      4.584578
  H      -1.678368      4.784488      4.206946
  H      -2.878856      5.524300      6.920506
  H      -1.151648      5.493632      6.495988
  H      -4.945544      3.099816      8.621003
  H      -4.758535      4.321865      7.370272
  H      -2.598282      2.487761      8.554553
  H      -2.678126      4.254402      8.745293
  C      -2.093316     -0.123082      6.205453
  N      -3.202702      0.076867      5.462545
  C      -3.961203     -0.106006      4.361301
  O      -4.277067      1.037016      3.868212
  C      -4.426135     -1.377176      3.829992
  C      -5.246691     -1.394931      2.687987
  C      -5.694118     -2.612974      2.188272
  C      -5.331992     -3.812368      2.810089
  C      -4.516713     -3.780259      3.945318
  Br     -4.027851     -5.407899      4.795769
  C      -4.061192     -2.575330      4.467462
  C      -4.875789      4.441992      4.502933
  N      -5.286648      5.669696      4.580353
  C      -6.625288      5.880632      4.209402
  O      -7.140422      5.334363      3.235505
  C      -7.381305      6.838635      5.070983
  C      -8.684454      7.197953      4.698427
  C      -9.426130      8.059913      5.500276
  C      -8.890601      8.559684      6.691478
  C      -7.599830      8.179533      7.058018
  Br     -6.870812      8.815197      8.708086
  C      -6.831850      7.338108      6.260447
  C      -5.863739      2.010407      6.431042
  N      -6.852948      2.597182      7.042837
  C      -8.141169      2.194120      6.647735
  O      -8.410749      1.095120      6.160559
  C      -9.178698      3.245643      6.872365
  C      -8.927112      4.368762      7.675923
  C      -9.920461      5.327883      7.863023
  C     -11.161220      5.195288      7.237251
  C     -11.394462      4.077585      6.432102
  Br    -13.083274      3.900265      5.559478
  C     -10.427495      3.096695      6.250199
  H      -1.587985     -1.080123      6.398010
  H      -5.527443     -0.454684      2.214160
  H      -6.336355     -2.639732      1.307552
  H      -5.684777     -4.766782      2.419277
  H      -3.445575     -2.568780      5.366630
  H      -5.583315      3.625428      4.295096
  H      -9.098287      6.787770      3.777184
  H     -10.438403      8.344493      5.209664
  H      -9.471231      9.226514      7.328770
  H      -5.819643      7.059124      6.548820
  H      -6.041797      1.268026      5.639156
  H      -7.953143      4.474456      8.150002
  H      -9.728249      6.197445      8.492793
  H     -11.935137      5.951511      7.367847
  H     -10.612268      2.221248      5.628317
  N      -1.681309      2.105107      4.062424
  N      -0.880610      2.013752      3.066932
  H      -0.905751      2.713573      2.320782
  H      -0.328829      1.165563      2.921237
75
Coordinates from ORCA-job orca E -13838.840455166939
  N      -1.741835      1.041727      6.618248
  Mo     -3.009983      2.187474      5.315582
  N      -4.583280      2.307971      6.694769
  C      -4.373215      3.315898      7.742908
  C      -2.899213      3.390023      8.074968
  N      -2.070905      3.558059      6.826643
  C      -0.663762      3.111766      7.071719
  C      -0.634325      1.596689      7.357106
  C      -2.139567      4.988794      6.342632
  C      -2.557334      5.034099      4.874696
  N      -3.614875      4.044497      4.682919
  H       0.329022      1.166631      7.042722
  H      -0.756963      1.386171      8.430578
  H      -0.091893      3.339136      6.163406
  H      -0.230342      3.677217      7.911327
  H      -2.919359      6.038583      4.611924
  H      -1.707597      4.776105      4.223445
  H      -2.899683      5.501648      6.944938
  H      -1.173585      5.482953      6.517157
  H      -4.940045      3.055767      8.649434
  H      -4.772007      4.289953      7.407326
  H      -2.594043      2.455593      8.558791
  H      -2.677010      4.220585      8.762155
  C      -2.098782     -0.139559      6.196747
  N      -3.217695      0.062067      5.466244
  C      -3.968861     -0.120497      4.359316
  O      -4.311612      1.022071      3.883415
  C      -4.406746     -1.394139      3.811705
  C      -5.215245     -1.417313      2.661674
  C      -5.635375     -2.639406      2.148050
  C      -5.259093     -3.836947      2.764347
  C      -4.456045     -3.799363      3.908236
  Br     -3.949007     -5.424224      4.753132
  C      -4.026991     -2.590838      4.443989
  C      -4.903324      4.441772      4.539394
  N      -5.306002      5.672812      4.614517
  C      -6.638535      5.895934      4.234300
  O      -7.156415      5.339088      3.266721
  C      -7.386580      6.881930      5.070497
  C      -8.677870      7.258664      4.676533
  C      -9.414918      8.143156      5.458207
  C      -8.886232      8.649125      6.649699
  C      -7.605551      8.253589      7.036300
  Br     -6.882740      8.902478      8.683713
  C      -6.842302      7.388745      6.259349
  C      -5.877684      1.985184      6.462022
  N      -6.860643      2.567524      7.086231
  C      -8.155019      2.159375      6.720188
  O      -8.435652      1.042963      6.283148
  C      -9.181892      3.228459      6.913819
  C      -8.902596      4.394538      7.644003
  C      -9.882247      5.373709      7.794048
  C     -11.138145      5.216028      7.205005
  C     -11.400506      4.053861      6.475970
  Br    -13.110991      3.840579      5.654914
  C     -10.445660      3.054914      6.330068
  H      -1.597625     -1.099459      6.385200
  H      -5.506747     -0.478124      2.192253
  H      -6.267465     -2.670780      1.260174
  H      -5.592074     -4.794074      2.363142
  H      -3.422557     -2.579823      5.350500
  H      -5.615541      3.628123      4.337124
  H      -9.087938      6.842704      3.756323
  H     -10.418059      8.442293      5.150902
  H      -9.462845      9.334094      7.271106
  H      -5.837859      7.098731      6.563123
  H      -6.061209      1.244535      5.670300
  H      -7.917957      4.518407      8.090874
  H      -9.667990      6.277852      8.365194
  H     -11.901683      5.987249      7.305285
  H     -10.650288      2.146116      5.764505
  N      -1.715782      2.107148      4.057603
  N      -0.921597      2.035594      3.054409
  H      -0.959920      2.744360      2.317185
  H      -0.375990      1.187664      2.885471
75
Coordinates from ORCA-job orca E -13838.840518698820
  N      -1.710495      1.028107      6.578287
  Mo     -3.013158      2.186147      5.333606
  N      -4.557970      2.263010      6.745731
  C      -4.340812      3.249522      7.812854
  C      -2.862061      3.330655      8.118944
  N      -2.058866      3.534699      6.860344
  C      -0.644349      3.094146      7.067768
  C      -0.598963      1.574175      7.318912
  C      -2.147718      4.974465      6.411242
  C      -2.582398      5.048555      4.949169
  N      -3.636468      4.058161      4.751918
  H       0.364021      1.159630      6.983426
  H      -0.707649      1.336705      8.388158
  H      -0.092335      3.344176      6.153085
  H      -0.196533      3.643553      7.910567
  H      -2.952430      6.055851      4.709170
  H      -1.738916      4.806757      4.283673
  H      -2.906455      5.465165      7.033239
  H      -1.185697      5.475949      6.587134
  H      -4.885492      2.958729      8.723875
  H      -4.760930      4.224788      7.507748
  H      -2.541152      2.387121      8.573220
  H      -2.632716      4.145795      8.822167
  C      -2.071335     -0.151801      6.155131
  N      -3.198755      0.055934      5.439908
  C      -3.978294     -0.109039      4.351078
  O      -4.322412      1.040679      3.893331
  C      -4.425467     -1.375484      3.793430
  C      -5.212676     -1.390316      2.629138
  C      -5.639117     -2.608354      2.110337
  C      -5.291937     -3.809160      2.736551
  C      -4.510541     -3.779721      3.895775
  Br     -4.045290     -5.408563      4.756613
  C      -4.073789     -2.576037      4.435706
  C      -4.925682      4.441985      4.601885
  N      -5.338351      5.672060      4.663655
  C      -6.666788      5.879327      4.261765
  O      -7.183139      5.279821      3.317554
  C      -7.416519      6.907006      5.043852
  C      -8.698241      7.281032      4.617689
  C      -9.438960      8.198557      5.357654
  C      -8.922703      8.741606      6.538128
  C      -7.649599      8.351223      6.955071
  Br     -6.940369      9.057415      8.584490
  C      -6.883889      7.451847      6.220860
  C      -5.853555      1.943666      6.518416
  N      -6.833941      2.514061      7.155651
  C      -8.130157      2.102792      6.802485
  O      -8.415678      0.970439      6.412850
  C      -9.149290      3.186224      6.953155
  C      -8.850332      4.394710      7.601659
  C      -9.820668      5.388753      7.704835
  C     -11.088537      5.201341      7.151374
  C     -11.371147      3.996684      6.503300
  Br    -13.096909      3.743829      5.726359
  C     -10.423885      2.984812      6.402519
  H      -1.567363     -1.111554      6.335644
  H      -5.481357     -0.448406      2.151666
  H      -6.253543     -2.633658      1.210003
  H      -5.631309     -4.762426      2.331717
  H      -3.488055     -2.568869      5.354295
  H      -5.630182      3.620033      4.407070
  H      -9.100079      6.835381      3.707985
  H     -10.434797      8.496127      5.025974
  H      -9.501531      9.453216      7.126497
  H      -5.886441      7.164339      6.548941
  H      -6.040669      1.210468      5.719980
  H      -7.857939      4.539932      8.024562
  H      -9.591668      6.326690      8.211884
  H     -11.845950      5.982242      7.216950
  H     -10.640952      2.044039      5.897241
  N      -1.742780      2.145485      4.047882
  N      -0.959962      2.102377      3.034265
  H      -1.011362      2.828665      2.314927
  H      -0.416448      1.258962      2.837648
75
Coordinates from ORCA-job orca E -13838.840635961062
  N      -1.732348      1.032923      6.600023
  Mo     -3.016122      2.183573      5.328835
  N      -4.570542      2.287176      6.728714
  C      -4.354339      3.285321      7.785284
  C      -2.877361      3.360794      8.101200
  N      -2.065156      3.543154      6.846308
  C      -0.653627      3.097195      7.068373
  C      -0.618460      1.580447      7.337440
  C      -2.141304      4.977378      6.377268
  C      -2.574187      5.037392      4.913678
  N      -3.633854      4.051602      4.721621
  H       0.342401      1.155085      7.009759
  H      -0.733206      1.355776      8.408734
  H      -0.095381      3.333158      6.153788
  H      -0.207909      3.655168      7.906563
  H      -2.937464      6.045086      4.664692
  H      -1.731282      4.787046      4.250841
  H      -2.894558      5.484072      6.993165
  H      -1.174406      5.472037      6.545272
  H      -4.909462      3.011646      8.694896
  H      -4.760249      4.259884      7.460595
  H      -2.566880      2.421484      8.571348
  H      -2.649597      4.184264      8.795188
  C      -2.090475     -0.149213      6.180298
  N      -3.215423      0.057174      5.460586
  C      -3.979368     -0.115561      4.360764
  O      -4.316290      1.031491      3.891600
  C      -4.417066     -1.384458      3.801814
  C      -5.185838     -1.402144      2.625164
  C      -5.600662     -2.621776      2.100370
  C      -5.260105     -3.821054      2.732586
  C      -4.497986     -3.788845      3.904855
  Br     -4.042432     -5.415795      4.773936
  C      -4.073358     -2.583775      4.450829
  C      -4.920184      4.445051      4.579691
  N      -5.324018      5.678141      4.651319
  C      -6.655306      5.895069      4.267467
  O      -7.186219      5.305219      3.324995
  C      -7.392407      6.918937      5.066520
  C      -8.677279      7.302678      4.658592
  C      -9.404470      8.217894      5.415103
  C      -8.870991      8.749182      6.592970
  C      -7.595277      8.348994      6.991857
  Br     -6.863754      9.037446      8.618831
  C      -6.843479      7.450768      6.242164
  C      -5.865960      1.963632      6.502732
  N      -6.849540      2.530132      7.138836
  C      -8.142910      2.108903      6.791923
  O      -8.420601      0.972588      6.406480
  C      -9.172942      3.181715      6.941863
  C      -8.886308      4.395978      7.583825
  C      -9.869184      5.377016      7.690279
  C     -11.137749      5.170714      7.145424
  C     -11.408245      3.960097      6.503195
  Br    -13.137666      3.678644      5.743678
  C     -10.448706      2.959849      6.400710
  H      -1.584819     -1.109055      6.354561
  H      -5.449364     -0.461747      2.142025
  H      -6.200262     -2.649252      1.190206
  H      -5.589609     -4.775332      2.322157
  H      -3.503653     -2.573063      5.379378
  H      -5.631079      3.627785      4.389446
  H      -9.091307      6.866554      3.749827
  H     -10.402722      8.522178      5.097488
  H      -9.440382      9.457811      7.193980
  H      -5.843772      7.155889      6.556334
  H      -6.049522      1.230865      5.703223
  H      -7.892992      4.556305      7.999327
  H      -9.649256      6.319854      8.191722
  H     -11.905973      5.940568      7.215562
  H     -10.659164      2.012591      5.904744
  N      -1.740737      2.125832      4.048067
  N      -0.958970      2.077105      3.034708
  H      -1.014732      2.796266      2.308417
  H      -0.424075      1.228724      2.835556
75
Coordinates from ORCA-job orca E -13838.840745141926
  N      -1.734912      1.028981      6.600774
  Mo     -3.021513      2.178653      5.331748
  N      -4.575933      2.282568      6.729904
  C      -4.359724      3.278757      7.788278
  C      -2.882466      3.353723      8.104944
  N      -2.070003      3.537671      6.850330
  C      -0.657622      3.092651      7.072271
  C      -0.621472      1.576211      7.339337
  C      -2.145363      4.972596      6.382249
  C      -2.578765      5.033543      4.919379
  N      -3.641041      4.049854      4.729272
  H       0.339491      1.151140      7.011627
  H      -0.737640      1.349554      8.410164
  H      -0.100210      3.330110      6.157486
  H      -0.213047      3.651672      7.910234
  H      -2.939887      6.042162      4.670822
  H      -1.736260      4.782825      4.256151
  H      -2.897766      5.479578      6.999199
  H      -1.177443      5.465275      6.549874
  H      -4.915814      3.004140      8.696997
  H      -4.762311      4.255313      7.465089
  H      -2.571359      2.413476      8.573529
  H      -2.655577      4.176043      8.800525
  C      -2.092838     -0.153422      6.181629
  N      -3.220972      0.052298      5.466182
  C      -3.982877     -0.120804      4.364337
  O      -4.329834      1.025809      3.902410
  C      -4.415208     -1.389524      3.800595
  C      -5.186171     -1.402754      2.625009
  C      -5.595132     -2.620586      2.091551
  C      -5.246306     -3.822715      2.714064
  C      -4.482675     -3.795068      3.885506
  Br     -4.015670     -5.426166      4.740550
  C      -4.064260     -2.591669      4.439965
  C      -4.925208      4.447655      4.592071
  N      -5.325372      5.682842      4.662026
  C      -6.658255      5.901280      4.286465
  O      -7.200556      5.302895      3.356044
  C      -7.384298      6.939183      5.079003
  C      -8.670821      7.323803      4.676688
  C      -9.385205      8.256605      5.423774
  C      -8.837675      8.804775      6.587468
  C      -7.560884      8.403787      6.981682
  Br     -6.808784      9.119958      8.587328
  C      -6.821499      7.488230      6.240361
  C      -5.872414      1.954101      6.508677
  N      -6.852379      2.517490      7.150806
  C      -8.146677      2.087242      6.821836
  O      -8.422345      0.938902      6.470872
  C      -9.179398      3.159586      6.947634
  C      -8.888535      4.399880      7.535218
  C      -9.874222      5.380614      7.618032
  C     -11.151313      5.145906      7.105887
  C     -11.427003      3.907708      6.520082
  Br    -13.171037      3.583747      5.812755
  C     -10.464042      2.908890      6.440125
  H      -1.586232     -1.113124      6.353371
  H      -5.456642     -0.460520      2.149202
  H      -6.196472     -2.644472      1.182344
  H      -5.570186     -4.775865      2.296309
  H      -3.493703     -2.584551      5.368258
  H      -5.640214      3.632341      4.407673
  H      -9.094898      6.875676      3.778270
  H     -10.384521      8.561115      5.109550
  H      -9.397735      9.527122      7.181055
  H      -5.820407      7.192988      6.550228
  H      -6.056571      1.224418      5.706960
  H      -7.889186      4.581279      7.927047
  H      -9.649590      6.345018      8.074423
  H     -11.922626      5.914108      7.159667
  H     -10.680335      1.940748      5.989317
  N      -1.749461      2.128491      4.049561
  N      -0.970287      2.094300      3.033804
  H      -1.032226      2.819464      2.314025
  H      -0.432090      1.250720      2.823689
75
Coordinates from ORCA-job orca E -13838.840858413972
  N      -1.728898      1.022284      6.592416
  Mo     -3.026124      2.174831      5.337885
  N      -4.573818      2.267230      6.743889
  C      -4.356406      3.257963      7.806753
  C      -2.877976      3.333778      8.118795
  N      -2.071154      3.527533      6.861664
  C      -0.656509      3.085176      7.075427
  C      -0.615428      1.567507      7.332149
  C      -2.151623      4.965533      6.403132
  C      -2.591935      5.035096      4.943313
  N      -3.654062      4.050718      4.754236
  H       0.345738      1.146809      6.999390
  H      -0.728896      1.332689      8.401585
  H      -0.103552      3.330223      6.159856
  H      -0.210854      3.641038      7.914816
  H      -2.955475      6.044610      4.702108
  H      -1.751970      4.789907      4.274752
  H      -2.902310      5.466732      7.026860
  H      -1.183702      5.458641      6.569380
  H      -4.909263      2.977582      8.715720
  H      -4.760845      4.236305      7.490974
  H      -2.562390      2.390834      8.579058
  H      -2.650112      4.151604      8.819276
  C      -2.087366     -0.158979      6.171014
  N      -3.218483      0.047080      5.460197
  C      -3.984747     -0.122135      4.360980
  O      -4.337655      1.025880      3.907521
  C      -4.418354     -1.388872      3.793698
  C      -5.193947     -1.396577      2.620973
  C      -5.604245     -2.611799      2.082818
  C      -5.252024     -3.816984      2.697897
  C      -4.483859     -3.794861      3.866382
  Br     -4.012262     -5.430156      4.710831
  C      -4.064161     -2.593930      4.425348
  C      -4.938112      4.447974      4.621220
  N      -5.337715      5.684208      4.684773
  C      -6.672628      5.899493      4.314575
  O      -7.226964      5.281954      3.404120
  C      -7.385352      6.962687      5.086488
  C      -8.674419      7.342273      4.687656
  C      -9.375940      8.299594      5.415334
  C      -8.812791      8.878463      6.556770
  C      -7.533045      8.483670      6.947565
  Br     -6.757160      9.247777      8.519492
  C      -6.806486      7.543492      6.224304
  C      -5.870704      1.934469      6.528121
  N      -6.847385      2.492387      7.178659
  C      -8.141829      2.053035      6.865097
  O      -8.414585      0.894925      6.544686
  C      -9.176379      3.126349      6.960404
  C      -8.881676      4.391642      7.489970
  C      -9.867838      5.374588      7.538820
  C     -11.150368      5.115274      7.052865
  C     -11.430562      3.850920      6.527663
  Br    -13.182928      3.491874      5.859473
  C     -10.466338      2.851595      6.479526
  H      -1.577456     -1.117690      6.338511
  H      -5.467410     -0.452337      2.150829
  H      -6.209337     -2.631347      1.175971
  H      -5.576556     -4.768328      2.276411
  H      -3.489909     -2.591157      5.351532
  H      -5.655181      3.632905      4.442850
  H      -9.110551      6.869991      3.807465
  H     -10.377588      8.599097      5.103532
  H      -9.363071      9.620406      7.135149
  H      -5.802967      7.252775      6.530626
  H      -6.056313      1.206848      5.725034
  H      -7.878690      4.591127      7.863401
  H      -9.639502      6.359080      7.948495
  H     -11.922340      5.884229      7.080800
  H     -10.686186      1.864975      6.073017
  N      -1.760402      2.142607      4.050057
  N      -0.985048      2.128087      3.030586
  H      -1.058402      2.859565      2.318314
  H      -0.437104      1.293466      2.810309
75
Coordinates from ORCA-job orca E -13838.840953738956
  N      -1.721683      1.015768      6.587961
  Mo     -3.022463      2.174459      5.342580
  N      -4.568301      2.255062      6.753112
  C      -4.352653      3.240790      7.820214
  C      -2.874391      3.314656      8.133886
  N      -2.068617      3.517739      6.876909
  C      -0.653304      3.076244      7.088125
  C      -0.610243      1.556791      7.332941
  C      -2.151545      4.959321      6.428850
  C      -2.596961      5.040134      4.971573
  N      -3.657309      4.053846      4.778773
  H       0.351779      1.139613      6.998096
  H      -0.724413      1.313003      8.400378
  H      -0.100217      3.329339      6.174749
  H      -0.209875      3.627390      7.931690
  H      -2.963917      6.050314      4.738862
  H      -1.758180      4.802768      4.298697
  H      -2.900270      5.455208      7.059017
  H      -1.183058      5.451363      6.594802
  H      -4.907395      2.957377      8.727103
  H      -4.755921      4.221435      7.509587
  H      -2.557397      2.368321      8.586033
  H      -2.646507      4.127137      8.840457
  C      -2.080476     -0.162406      6.159023
  N      -3.210408      0.045659      5.447442
  C      -3.982766     -0.116804      4.352233
  O      -4.334705      1.034183      3.905523
  C      -4.426101     -1.379933      3.784465
  C      -5.213051     -1.380064      2.619152
  C      -5.634123     -2.591348      2.080864
  C      -5.281000     -3.800412      2.688454
  C      -4.501113     -3.785799      3.849002
  Br     -4.028208     -5.426300      4.682642
  C      -4.070639     -2.588543      4.407979
  C      -4.941410      4.449373      4.641550
  N      -5.341135      5.686160      4.695146
  C      -6.676619      5.897497      4.321566
  O      -7.238643      5.258841      3.431105
  C      -7.382042      6.980088      5.073801
  C      -8.675262      7.348761      4.678181
  C      -9.371226      8.322176      5.389032
  C      -8.798213      8.928856      6.511420
  C      -7.513503      8.546634      6.898387
  Br     -6.721977      9.354650      8.440122
  C      -6.792526      7.590485      6.190271
  C      -5.863936      1.919500      6.536859
  N      -6.840731      2.471748      7.192024
  C      -8.133321      2.026041      6.881587
  O      -8.404083      0.859736      6.589943
  C      -9.173190      3.094583      6.971443
  C      -8.875380      4.375942      7.459336
  C      -9.864640      5.356961      7.494623
  C     -11.154398      5.078113      7.039378
  C     -11.437872      3.796933      6.558173
  Br    -13.199345      3.411381      5.930989
  C     -10.469782      2.801320      6.521272
  H      -1.566321     -1.119785      6.321969
  H      -5.487539     -0.433294      2.154746
  H      -6.248493     -2.604934      1.180182
  H      -5.613722     -4.749018      2.267123
  H      -3.486182     -2.591992      5.327845
  H      -5.659713      3.635010      4.464159
  H      -9.119250      6.853125      3.814848
  H     -10.376718      8.611583      5.079900
  H      -9.344528      9.683512      7.076891
  H      -5.785387      7.308624      6.492735
  H      -6.048460      1.193003      5.732313
  H      -7.867058      4.589805      7.809947
  H      -9.633374      6.354375      7.870876
  H     -11.928762      5.844964      7.056056
  H     -10.691668      1.803990      6.143460
  N      -1.756099      2.160859      4.055322
  N      -0.980408      2.166686      3.035489
  H      -1.061656      2.905322      2.331579
  H      -0.419878      1.342303      2.808749
75
Coordinates from ORCA-job orca E -13838.841044586012
  N      -1.717247      1.012087      6.583651
  Mo     -3.022310      2.174140      5.345878
  N      -4.561968      2.249834      6.765444
  C      -4.344226      3.235378      7.831373
  C      -2.865441      3.307281      8.141788
  N      -2.063961      3.512781      6.882400
  C      -0.648100      3.070727      7.088600
  C      -0.604296      1.550351      7.327920
  C      -2.148270      4.955858      6.438947
  C      -2.605798      5.042566      4.985638
  N      -3.666059      4.055023      4.797199
  H       0.356909      1.134325      6.989204
  H      -0.715354      1.302405      8.394687
  H      -0.096971      3.327033      6.174967
  H      -0.202849      3.619061      7.933046
  H      -2.976363      6.052901      4.759875
  H      -1.772331      4.809427      4.304879
  H      -2.890484      5.451138      7.077071
  H      -1.177603      5.446009      6.597508
  H      -4.898391      2.953511      8.739026
  H      -4.747047      4.216438      7.521410
  H      -2.547895      2.359636      8.590261
  H      -2.634628      4.117911      8.849510
  C      -2.076547     -0.163912      6.149857
  N      -3.207830      0.045536      5.441396
  C      -3.987048     -0.112976      4.350900
  O      -4.335126      1.040080      3.905710
  C      -4.436433     -1.374060      3.783661
  C      -5.231090     -1.371439      2.623618
  C      -5.659309     -2.581279      2.087871
  C      -5.305647     -3.791608      2.692730
  C      -4.517631     -3.779686      3.847686
  Br     -4.044309     -5.421738      4.677932
  C      -4.079626     -2.583866      4.403996
  C      -4.951004      4.449494      4.663287
  N      -5.349619      5.686716      4.715575
  C      -6.687106      5.897132      4.346430
  O      -7.256299      5.253073      3.464488
  C      -7.380759      6.996404      5.085121
  C      -8.674230      7.366558      4.691681
  C      -9.361650      8.352158      5.393858
  C      -8.779384      8.970186      6.505432
  C      -7.493764      8.587528      6.889432
  Br     -6.688822      9.413523      8.414138
  C      -6.781598      7.618593      6.189584
  C      -5.856628      1.908779      6.555026
  N      -6.834671      2.454431      7.214902
  C      -8.125273      1.996601      6.915646
  O      -8.388410      0.826259      6.633669
  C      -9.169275      3.063944      6.974411
  C      -8.872840      4.363476      7.412741
  C      -9.864146      5.343222      7.414317
  C     -11.155389      5.044032      6.976066
  C     -11.437422      3.744960      6.544831
  Br    -13.199843      3.332144      5.938446
  C     -10.466371      2.751593      6.539977
  H      -1.557514     -1.120066      6.305154
  H      -5.505950     -0.423899      2.161123
  H      -6.279743     -2.592764      1.191390
  H      -5.644378     -4.739091      2.273825
  H      -3.488168     -2.589530      5.319239
  H      -5.671690      3.636060      4.492078
  H      -9.125530      6.860711      3.838204
  H     -10.367344      8.642543      5.086353
  H      -9.318742      9.735089      7.063672
  H      -5.773786      7.336155      6.488783
  H      -6.040723      1.178993      5.753111
  H      -7.863642      4.592595      7.751212
  H      -9.633719      6.354773      7.751702
  H     -11.931605      5.809033      6.966258
  H     -10.686395      1.740996      6.197813
  N      -1.758955      2.174752      4.054708
  N      -0.987336      2.199892      3.031695
  H      -1.080761      2.944052      2.335187
  H      -0.418122      1.384260      2.795364
75
Coordinates from ORCA-job orca E -13838.841049199149
  N      -1.726207      1.006621      6.591303
  Mo     -3.024690      2.170197      5.346563
  N      -4.567982      2.251667      6.762307
  C      -4.350725      3.238255      7.826962
  C      -2.872769      3.307114      8.140839
  N      -2.067482      3.508877      6.883442
  C      -0.653172      3.063914      7.094349
  C      -0.613516      1.543796      7.336755
  C      -2.146934      4.951602      6.437806
  C      -2.605029      5.037432      4.984516
  N      -3.667270      4.051700      4.797523
  H       0.347497      1.124936      7.000923
  H      -0.727273      1.298504      8.403820
  H      -0.098581      3.317420      6.182093
  H      -0.209035      3.612324      7.939380
  H      -2.973861      6.048246      4.758091
  H      -1.772520      4.801921      4.303524
  H      -2.886608      5.450935      7.075811
  H      -1.174334      5.438405      6.594675
  H      -4.908421      2.959495      8.733408
  H      -4.749909      4.219885      7.514094
  H      -2.558937      2.359448      8.592092
  H      -2.641903      4.118565      8.847620
  C      -2.085073     -0.168450      6.154844
  N      -3.215240      0.042783      5.444971
  C      -3.987452     -0.115564      4.348950
  O      -4.337492      1.037614      3.905413
  C      -4.431061     -1.376441      3.777059
  C      -5.227174     -1.372924      2.618027
  C      -5.649968     -2.582662      2.077689
  C      -5.289704     -3.793693      2.676986
  C      -4.500393     -3.782703      3.831150
  Br     -4.017786     -5.425750      4.653968
  C      -4.067793     -2.587105      4.392124
  C      -4.950659      4.450782      4.661286
  N      -5.342901      5.690184      4.712280
  C      -6.675794      5.910916      4.333792
  O      -7.240839      5.274160      3.443845
  C      -7.365479      7.019028      5.062931
  C      -8.646786      7.408560      4.648770
  C      -9.329870      8.405627      5.339162
  C      -8.756060      9.015183      6.459659
  C      -7.483254      8.612184      6.865101
  Br     -6.690884      9.425128      8.403205
  C      -6.774865      7.631951      6.177222
  C      -5.862650      1.906777      6.554205
  N      -6.841446      2.447747      7.216626
  C      -8.130995      1.984484      6.922347
  O      -8.387130      0.816692      6.624359
  C      -9.181723      3.044596      6.997021
  C      -8.891307      4.341916      7.445817
  C      -9.890094      5.313563      7.466791
  C     -11.183018      5.008617      7.037192
  C     -11.459038      3.711995      6.595181
  Br    -13.224802      3.290329      6.004296
  C     -10.480335      2.726230      6.571745
  H      -1.566636     -1.125422      6.306998
  H      -5.507093     -0.424728      2.159878
  H      -6.271311     -2.593490      1.181802
  H      -5.624394     -4.741030      2.254502
  H      -3.475390     -2.593972      5.306697
  H      -5.674131      3.640527      4.487388
  H      -9.091303      6.910272      3.787322
  H     -10.325241      8.712520      5.014594
  H      -9.292003      9.789258      7.008608
  H      -5.776062      7.334896      6.492217
  H      -6.045923      1.177229      5.752224
  H      -7.881153      4.575324      7.778396
  H      -9.664241      6.323203      7.812261
  H     -11.965715      5.767049      7.043294
  H     -10.696082      1.716593      6.223771
  N      -1.757112      2.174028      4.059738
  N      -0.984308      2.211430      3.037989
  H      -1.083420      2.958383      2.345297
  H      -0.409634      1.401146      2.796681
75
Coordinates from ORCA-job orca E -13838.841163048095
  N      -1.739411      1.008006      6.602227
  Mo     -3.024483      2.169788      5.341576
  N      -4.572401      2.269826      6.752099
  C      -4.355589      3.265364      7.807776
  C      -2.879184      3.328463      8.127612
  N      -2.066915      3.514830      6.872810
  C      -0.656353      3.062976      7.093775
  C      -0.626633      1.544440      7.348289
  C      -2.135123      4.954290      6.415619
  C      -2.595693      5.032520      4.962181
  N      -3.662322      4.050436      4.782811
  H       0.333505      1.117764      7.019789
  H      -0.746009      1.308372      8.416724
  H      -0.095486      3.305918      6.182584
  H      -0.212413      3.614302      7.937113
  H      -2.961100      6.043397      4.730545
  H      -1.765842      4.789246      4.280899
  H      -2.868508      5.465562      7.051458
  H      -1.158235      5.434447      6.566028
  H      -4.919665      2.998375      8.713800
  H      -4.748010      4.245758      7.482803
  H      -2.574058      2.382850      8.589009
  H      -2.646459      4.144846      8.828128
  C      -2.099516     -0.167618      6.168161
  N      -3.225333      0.045170      5.452084
  C      -3.989319     -0.116353      4.350318
  O      -4.329157      1.036098      3.896465
  C      -4.431419     -1.378487      3.780593
  C      -5.220279     -1.379265      2.616758
  C      -5.641405     -2.591088      2.079557
  C      -5.287192     -3.799649      2.686822
  C      -4.505157     -3.784380      3.846058
  Br     -4.030763     -5.423928      4.680351
  C      -4.074161     -2.586912      4.404089
  C      -4.943673      4.455723      4.646804
  N      -5.327808      5.697796      4.700482
  C      -6.659603      5.929615      4.326408
  O      -7.233750      5.293217      3.441744
  C      -7.347978      7.023209      5.077791
  C      -8.631795      7.418360      4.676708
  C      -9.312457      8.402771      5.388020
  C      -8.733576      8.993075      6.515970
  C      -7.459127      8.582850      6.909133
  Br     -6.660902      9.366597      8.459046
  C      -6.753444      7.614984      6.201385
  C      -5.866614      1.920939      6.546003
  N      -6.849702      2.464559      7.199985
  C      -8.136599      1.990339      6.913113
  O      -8.388035      0.814994      6.642816
  C      -9.194421      3.044720      6.979115
  C      -8.906370      4.355827      7.387641
  C      -9.912423      5.319659      7.401939
  C     -11.210989      4.992767      7.006255
  C     -11.484621      3.683163      6.603354
  Br    -13.258495      3.231195      6.060265
  C     -10.497988      2.704791      6.586969
  H      -1.583460     -1.125614      6.321757
  H      -5.495188     -0.432685      2.152286
  H      -6.256700     -2.605338      1.179560
  H      -5.621191     -4.748323      2.266901
  H      -3.487770     -2.590402      5.322393
  H      -5.672117      3.648743      4.480083
  H      -9.079186      6.936217      3.807682
  H     -10.308548      8.716599      5.072569
  H      -9.266264      9.758536      7.080068
  H      -5.752780      7.313612      6.506270
  H      -6.046794      1.183392      5.750849
  H      -7.892167      4.606183      7.694627
  H      -9.688365      6.339822      7.715513
  H     -12.000727      5.743857      7.009613
  H     -10.711425      1.683823      6.271295
  N      -1.749685      2.170058      4.061075
  N      -0.974001      2.219583      3.042064
  H      -1.081216      2.966358      2.350370
  H      -0.391838      1.415295      2.798735
75
Coordinates from ORCA-job orca E -13838.841175120868
  N      -1.738336      1.009268      6.601919
  Mo     -3.020954      2.171258      5.339456
  N      -4.568049      2.273649      6.751631
  C      -4.352659      3.273462      7.803306
  C      -2.876685      3.334766      8.125260
  N      -2.062746      3.517104      6.870836
  C      -0.653320      3.063137      7.093757
  C      -0.625899      1.544643      7.349064
  C      -2.128124      4.955995      6.411870
  C      -2.595253      5.034533      4.960279
  N      -3.661787      4.051617      4.784912
  H       0.334266      1.116744      7.022232
  H      -0.747009      1.309440      8.417517
  H      -0.090917      3.304361      6.183053
  H      -0.209276      3.614072      7.937285
  H      -2.963176      6.044962      4.730743
  H      -1.767821      4.792825      4.275683
  H      -2.856449      5.470762      7.050735
  H      -1.148942      5.433055      6.556897
  H      -4.918862      3.010485      8.709215
  H      -4.743391      4.253287      7.474258
  H      -2.574178      2.389225      8.588601
  H      -2.642593      4.151870      8.824472
  C      -2.098915     -0.166030      6.166909
  N      -3.223400      0.047369      5.449362
  C      -3.991953     -0.113263      4.350715
  O      -4.328421      1.039862      3.896254
  C      -4.442042     -1.374521      3.785336
  C      -5.235535     -1.374599      2.624663
  C      -5.664320     -2.585820      2.092175
  C      -5.312974     -3.794484      2.700903
  C      -4.526142     -3.779932      3.856924
  Br     -4.055304     -5.419571      4.693067
  C      -4.087557     -2.583081      4.410311
  C      -4.943525      4.455404      4.651800
  N      -5.329223      5.696817      4.710007
  C      -6.664883      5.926240      4.348962
  O      -7.239001      5.307952      3.451477
  C      -7.341786      7.027959      5.098701
  C      -8.622424      7.434903      4.698970
  C      -9.293375      8.425275      5.411388
  C      -8.707657      9.010320      6.538592
  C      -7.436575      8.588491      6.930233
  Br     -6.629277      9.364932      8.479099
  C      -6.740569      7.614392      6.221541
  C      -5.860183      1.919277      6.547196
  N      -6.846545      2.463766      7.195150
  C      -8.130006      1.977335      6.913455
  O      -8.376220      0.792699      6.680949
  C      -9.195155      3.025106      6.962487
  C      -8.911243      4.351814      7.320357
  C      -9.924300      5.308497      7.315316
  C     -11.226357      4.958057      6.952427
  C     -11.495771      3.633089      6.599845
  Br    -13.273515      3.149629      6.098161
  C     -10.501679      2.662209      6.601827
  H      -1.582183     -1.123607      6.320898
  H      -5.508124     -0.427867      2.159150
  H      -6.283396     -2.599506      1.194772
  H      -5.652806     -4.742680      2.284584
  H      -3.497125     -2.587212      5.326036
  H      -5.672001      3.647206      4.491420
  H      -9.075689      6.956310      3.830999
  H     -10.287105      8.748116      5.097607
  H      -9.232065      9.781120      7.103131
  H      -5.742709      7.303142      6.525731
  H      -6.037157      1.175236      5.756918
  H      -7.894232      4.620523      7.601616
  H      -9.703353      6.341064      7.588454
  H     -12.022300      5.702527      6.942486
  H     -10.711148      1.629519      6.323937
  N      -1.743837      2.178948      4.060916
  N      -0.967698      2.245837      3.043203
  H      -1.083883      2.996238      2.356909
  H      -0.375078      1.450703      2.795259
75
Coordinates from ORCA-job orca E -13838.841251767963
  N      -1.737347      1.005351      6.601342
  Mo     -3.017853      2.172271      5.341219
  N      -4.562866      2.274384      6.756636
  C      -4.346534      3.274352      7.807741
  C      -2.870502      3.331714      8.130119
  N      -2.056380      3.513758      6.875525
  C      -0.648238      3.056055      7.097669
  C      -0.624306      1.536892      7.349987
  C      -2.118758      4.953713      6.419449
  C      -2.591235      5.036849      4.969800
  N      -3.658936      4.054790      4.795604
  H       0.335222      1.107636      7.023029
  H      -0.746461      1.300101      8.418004
  H      -0.085005      3.297657      6.187570
  H      -0.202956      3.604067      7.942438
  H      -2.959718      6.047948      4.744278
  H      -1.766084      4.796767      4.282040
  H      -2.842696      5.469812      7.062220
  H      -1.137412      5.427185      6.561426
  H      -4.913786      3.012531      8.713376
  H      -4.735349      4.255154      7.479064
  H      -2.570388      2.384565      8.591805
  H      -2.633752      4.147048      8.830471
  C      -2.100731     -0.168058      6.163468
  N      -3.224082      0.048920      5.445383
  C      -3.996043     -0.107686      4.348651
  O      -4.330696      1.047233      3.897513
  C      -4.453191     -1.366628      3.783824
  C      -5.252563     -1.362782      2.627206
  C      -5.688608     -2.571912      2.095956
  C      -5.338480     -3.782433      2.701809
  C      -4.545502     -3.771798      3.853626
  Br     -4.076005     -5.413933      4.685679
  C      -4.099678     -2.577038      4.405792
  C      -4.939929      4.460175      4.659581
  N      -5.322234      5.702931      4.709975
  C      -6.654360      5.936381      4.338425
  O      -7.229279      5.307882      3.448641
  C      -7.333966      7.038957      5.084564
  C      -8.613050      7.445630      4.679699
  C      -9.285837      8.437919      5.387645
  C      -8.703916      9.024622      6.516056
  C      -7.434223      8.603251      6.912725
  Br     -6.631275      9.383378      8.461962
  C      -6.736124      7.627743      6.208001
  C      -5.853986      1.916470      6.555249
  N      -6.840766      2.458198      7.204792
  C      -8.122383      1.963529      6.929083
  O      -8.360139      0.778649      6.689031
  C      -9.193290      3.005675      6.971710
  C      -8.916187      4.336958      7.317645
  C      -9.934908      5.287719      7.307318
  C     -11.236018      4.926433      6.951544
  C     -11.498545      3.596924      6.610969
  Br    -13.274519      3.098696      6.117771
  C     -10.498557      2.632265      6.617653
  H      -1.585421     -1.126633      6.316234
  H      -5.524165     -0.414569      2.164127
  H      -6.312529     -2.582531      1.201869
  H      -5.683933     -4.729045      2.286484
  H      -3.504167     -2.584497      5.318220
  H      -5.669396      3.653397      4.496827
  H      -9.063809      6.965315      3.811341
  H     -10.278416      8.760627      5.070046
  H      -9.229616      9.796845      7.077384
  H      -5.739371      7.316700      6.516010
  H      -6.030478      1.169359      5.767513
  H      -7.900070      4.613941      7.594118
  H      -9.719257      6.323891      7.571281
  H     -12.036644      5.665824      6.937914
  H     -10.702181      1.596196      6.348563
  N      -1.739371      2.188550      4.064055
  N      -0.962751      2.273071      3.047777
  H      -1.086428      3.028443      2.368312
  H      -0.361467      1.486475      2.793735
75
Coordinates from ORCA-job orca E -13838.841280247099
  N      -1.744812      1.001818      6.604468
  Mo     -3.020460      2.170380      5.340856
  N      -4.564749      2.278914      6.756345
  C      -4.347671      3.281995      7.804269
  C      -2.871721      3.335707      8.127901
  N      -2.055796      3.512432      6.873688
  C      -0.649633      3.050124      7.098062
  C      -0.631486      1.531456      7.354068
  C      -2.113021      4.951865      6.415084
  C      -2.588605      5.034565      4.966522
  N      -3.659029      4.054711      4.795959
  H       0.327284      1.098219      7.030206
  H      -0.756965      1.297948      8.422444
  H      -0.084709      3.287589      6.187917
  H      -0.202901      3.598123      7.942082
  H      -2.955470      6.046299      4.741188
  H      -1.765164      4.792458      4.277558
  H      -2.833068      5.472488      7.058645
  H      -1.129268      5.421193      6.554068
  H      -4.916437      3.023661      8.709957
  H      -4.733274      4.262931      7.472534
  H      -2.575320      2.388513      8.592161
  H      -2.632803      4.151764      8.826635
  C      -2.111428     -0.171446      6.168500
  N      -3.232663      0.048447      5.447713
  C      -3.999658     -0.108243      4.347170
  O      -4.330400      1.046653      3.893318
  C      -4.455329     -1.366943      3.780888
  C      -5.249342     -1.362329      2.620599
  C      -5.684266     -2.571010      2.087447
  C      -5.338263     -3.781851      2.694990
  C      -4.550558     -3.772006      3.850480
  Br     -4.086559     -5.414627      4.684668
  C      -4.106051     -2.577707      4.404621
  C      -4.938775      4.464830      4.662126
  N      -5.315312      5.709408      4.710313
  C      -6.644955      5.951150      4.338020
  O      -7.222450      5.324778      3.448373
  C      -7.320336      7.056740      5.083947
  C      -8.595148      7.472359      4.675180
  C      -9.262984      8.469600      5.380874
  C      -8.680678      9.052287      6.511118
  C      -7.415339      8.621853      6.912006
  Br     -6.610805      9.397427      8.462811
  C      -6.721911      7.641480      6.209414
  C      -5.855732      1.915692      6.560437
  N      -6.842421      2.457834      7.209492
  C      -8.122374      1.951633      6.947304
  O      -8.352357      0.762009      6.723371
  C      -9.200490      2.986443      6.980220
  C      -8.929892      4.326708      7.294902
  C      -9.956029      5.269388      7.275971
  C     -11.258343      4.890602      6.943626
  C     -11.514560      3.552016      6.635091
  Br    -13.292959      3.028876      6.177538
  C     -10.507035      2.595398      6.649947
  H      -1.601605     -1.132463      6.324004
  H      -5.517780     -0.413676      2.156508
  H      -6.304198     -2.581020      1.190554
  H      -5.682791     -4.728099      2.278014
  H      -3.515234     -2.585843      5.320130
  H      -5.671138      3.660247      4.501131
  H      -9.046577      6.995950      3.804972
  H     -10.252076      8.799770      5.060009
  H      -9.202311      9.828465      7.070827
  H      -5.728239      7.323806      6.520684
  H      -6.031747      1.163555      5.777743
  H      -7.913028      4.617391      7.553957
  H      -9.745244      6.312599      7.514799
  H     -12.065118      5.623187      6.924362
  H     -10.705601      1.551968      6.406655
  N      -1.739745      2.191049      4.066715
  N      -0.960855      2.295320      3.053686
  H      -1.094076      3.054235      2.379995
  H      -0.352039      1.517191      2.791731
75
Coordinates from ORCA-job orca E -13838.841301629593
  N      -1.746495      1.004883      6.608453
  Mo     -3.010391      2.176336      5.336409
  N      -4.556970      2.293096      6.750112
  C      -4.341147      3.303431      7.791711
  C      -2.865770      3.351738      8.121182
  N      -2.044363      3.518902      6.868946
  C      -0.641994      3.049099      7.099204
  C      -0.633272      1.531013      7.360434
  C      -2.093034      4.957020      6.405511
  C      -2.571181      5.039406      4.957267
  N      -3.641965      4.060266      4.787407
  H       0.324661      1.091801      7.042323
  H      -0.764612      1.302605      8.429230
  H      -0.072889      3.279862      6.189931
  H      -0.194015      3.596534      7.942954
  H      -2.938336      6.051102      4.732246
  H      -1.748143      4.797533      4.267943
  H      -2.807512      5.484804      7.049450
  H      -1.105836      5.420193      6.540548
  H      -4.914474      3.052134      8.696516
  H      -4.721798      4.283676      7.452551
  H      -2.576682      2.404861      8.590785
  H      -2.624305      4.169377      8.817133
  C      -2.117991     -0.167636      6.174527
  N      -3.233100      0.056597      5.445564
  C      -4.003474     -0.098242      4.347332
  O      -4.324409      1.057673      3.889039
  C      -4.473194     -1.355189      3.788797
  C      -5.267741     -1.349215      2.628912
  C      -5.716684     -2.556354      2.103997
  C      -5.384237     -3.766980      2.719487
  C      -4.595851     -3.758461      3.874538
  Br     -4.150065     -5.400788      4.719258
  C      -4.137368     -2.565701      4.420475
  C      -4.921578      4.470625      4.648450
  N      -5.297888      5.714696      4.695076
  C      -6.625812      5.959802      4.319882
  O      -7.198757      5.343361      3.420405
  C      -7.305910      7.053257      5.079076
  C      -8.578678      7.475181      4.670490
  C      -9.249978      8.461541      5.388306
  C      -8.673413      9.026568      6.530396
  C      -7.410449      8.589309      6.931147
  Br     -6.614078      9.338941      8.498974
  C      -6.713601      7.619952      6.217013
  C      -5.844937      1.925697      6.555432
  N      -6.836191      2.471281      7.195394
  C      -8.111088      1.952015      6.931907
  O      -8.328168      0.760697      6.703086
  C      -9.200834      2.974083      6.966562
  C      -8.946697      4.317031      7.282896
  C      -9.985501      5.246079      7.269431
  C     -11.283795      4.850811      6.940438
  C     -11.523003      3.509950      6.628301
  Br    -13.295502      2.964160      6.174123
  C     -10.502977      2.566902      6.638077
  H      -1.615964     -1.131320      6.338551
  H      -5.525433     -0.400410      2.159068
  H      -6.337193     -2.565280      1.207500
  H      -5.739758     -4.711969      2.308939
  H      -3.546174     -2.574672      5.335731
  H      -5.652455      3.664917      4.486079
  H      -9.026185      7.013368      3.790442
  H     -10.237448      8.797164      5.068109
  H      -9.197118      9.794219      7.099878
  H      -5.722053      7.296577      6.529350
  H      -6.017330      1.163523      5.781507
  H      -7.933097      4.620762      7.539693
  H      -9.787953      6.291217      7.510954
  H     -12.100730      5.572138      6.926321
  H     -10.687329      1.521480      6.393050
  N      -1.724113      2.196873      4.067579
  N      -0.940684      2.319705      3.059700
  H      -1.084864      3.079166      2.388868
  H      -0.320528      1.551458      2.795214
75
Coordinates from ORCA-job orca E -13838.841316323844
  N      -1.748068      1.003332      6.606896
  Mo     -3.011888      2.175595      5.336828
  N      -4.557068      2.292047      6.751343
  C      -4.341654      3.303106      7.792512
  C      -2.866316      3.350840      8.122280
  N      -2.044820      3.517458      6.870204
  C      -0.642728      3.046370      7.100000
  C      -0.635416      1.528416      7.360823
  C      -2.092538      4.955842      6.407478
  C      -2.570458      5.039523      4.959355
  N      -3.642026      4.061379      4.788683
  H       0.322459      1.088430      7.043770
  H      -0.768790      1.299623      8.429288
  H      -0.074021      3.276777      6.190362
  H      -0.193834      3.593521      7.943429
  H      -2.936674      6.051766      4.735194
  H      -1.747128      4.798318      4.270137
  H      -2.806875      5.483574      7.051607
  H      -1.105009      5.418129      6.543229
  H      -4.915000      3.051815      8.697243
  H      -4.721184      4.283402      7.452641
  H      -2.577963      2.403882      8.592135
  H      -2.624796      4.168394      8.818286
  C      -2.122081     -0.169626      6.175997
  N      -3.236517      0.056254      5.446326
  C      -4.006980     -0.097642      4.348066
  O      -4.328346      1.058654      3.891216
  C      -4.475340     -1.354100      3.787183
  C      -5.263121     -1.346491      2.622629
  C      -5.710649     -2.552744      2.094485
  C      -5.383480     -3.764096      2.711417
  C      -4.601977     -3.757197      3.871154
  Br     -4.163586     -5.400585      4.717624
  C      -4.144950     -2.565318      4.420195
  C      -4.921284      4.473209      4.652596
  N      -5.296512      5.717636      4.699102
  C      -6.624547      5.964036      4.326883
  O      -7.200681      5.346729      3.429995
  C      -7.300484      7.062936      5.082208
  C      -8.574244      7.483787      4.675913
  C      -9.241884      8.475082      5.390263
  C      -8.660287      9.047089      6.526291
  C      -7.395847      8.611598      6.924478
  Br     -6.591043      9.372875      8.482429
  C      -6.703058      7.636600      6.213999
  C      -5.845129      1.921628      6.559713
  N      -6.835884      2.467620      7.200265
  C      -8.110294      1.942175      6.946529
  O      -8.324515      0.746715      6.736430
  C      -9.202896      2.960993      6.971661
  C      -8.950396      4.310126      7.261376
  C      -9.991728      5.236222      7.237368
  C     -11.291216      4.831454      6.925606
  C     -11.529136      3.484009      6.641383
  Br    -13.303820      2.924874      6.212831
  C     -10.506544      2.543995      6.660653
  H      -1.625386     -1.135175      6.344828
  H      -5.516699     -0.397157      2.151629
  H      -6.325819     -2.560407      1.194305
  H      -5.737727     -4.708406      2.298208
  H      -3.559587     -2.575139      5.339217
  H      -5.652950      3.667715      4.492248
  H      -9.025857      7.017122      3.800534
  H     -10.230471      8.809232      5.071944
  H      -9.181121      9.818794      7.092883
  H      -5.710508      7.314526      6.524553
  H      -6.017343      1.156910      5.788325
  H      -7.935937      4.621472      7.505445
  H      -9.795119      6.286335      7.457218
  H     -12.109979      5.550522      6.903445
  H     -10.690027      1.493624      6.436644
  N      -1.726810      2.199388      4.067802
  N      -0.942180      2.331301      3.061699
  H      -1.092477      3.091256      2.392695
  H      -0.323633      1.564282      2.789959
75
Coordinates from ORCA-job orca E -13838.841325655199
  N      -1.752900      1.004751      6.611002
  Mo     -3.010193      2.176497      5.333405
  N      -4.559515      2.298628      6.743513
  C      -4.345491      3.312947      7.781874
  C      -2.871212      3.358614      8.116518
  N      -2.045640      3.520046      6.866558
  C      -0.645086      3.046917      7.102178
  C      -0.641874      1.529799      7.367477
  C      -2.089430      4.957599      6.400027
  C      -2.562970      5.039268      4.950410
  N      -3.634608      4.061697      4.776844
  H       0.316053      1.086719      7.055001
  H      -0.779625      1.304339      8.436088
  H      -0.073189      3.273732      6.193638
  H      -0.197986      3.595995      7.945291
  H      -2.927419      6.051637      4.723921
  H      -1.737519      4.797274      4.263967
  H      -2.804472      5.488040      7.041073
  H      -1.101298      5.418155      6.537287
  H      -4.922965      3.066621      8.685229
  H      -4.720292      4.293131      7.436721
  H      -2.586229      2.412755      8.590673
  H      -2.630915      4.178123      8.810624
  C      -2.128877     -0.168467      6.183304
  N      -3.239445      0.058243      5.447585
  C      -4.005847     -0.097439      4.346884
  O      -4.322416      1.058100      3.884395
  C      -4.473438     -1.354647      3.787195
  C      -5.255647     -1.348096      2.618768
  C      -5.702876     -2.554602      2.091067
  C      -5.380902     -3.765221      2.712305
  C      -4.604968     -3.757226      3.875706
  Br     -4.173644     -5.399637      4.727645
  C      -4.148370     -2.564961      4.424352
  C      -4.913924      4.474997      4.640856
  N      -5.288984      5.718986      4.690521
  C      -6.616884      5.966756      4.318467
  O      -7.189569      5.358455      3.413450
  C      -7.295280      7.058907      5.081411
  C      -8.571207      7.477181      4.679293
  C      -9.242280      8.460703      5.400957
  C      -8.661854      9.027747      6.540108
  C      -7.394935      8.595319      6.933741
  Br     -6.591503      9.350138      8.495489
  C      -6.698905      7.627876      6.216067
  C      -5.847524      1.926926      6.552654
  N      -6.838385      2.475068      7.191989
  C      -8.112622      1.948435      6.939576
  O      -8.326504      0.753047      6.728151
  C      -9.206519      2.965570      6.971804
  C      -8.954640      4.313757      7.266469
  C      -9.996944      5.239048      7.248383
  C     -11.296696      4.834427      6.937618
  C     -11.533952      3.487776      6.649000
  Br    -13.309083      2.929078      6.221975
  C     -10.510556      2.548648      6.662335
  H      -1.637961     -1.135663      6.359464
  H      -5.505225     -0.399433      2.144311
  H      -6.313670     -2.563079      1.187926
  H      -5.734874     -4.709804      2.299490
  H      -3.567298     -2.573752      5.346117
  H      -5.645841      3.670309      4.477308
  H      -9.021904      7.014363      3.801403
  H     -10.232827      8.792159      5.085925
  H      -9.185648      9.793218      7.112402
  H      -5.704568      7.308196      6.523302
  H      -6.019757      1.159730      5.783946
  H      -7.939892      4.625174      7.509228
  H      -9.800541      6.288430      7.472061
  H     -12.115882      5.553095      6.918918
  H     -10.693861      1.499154      6.434028
  N      -1.722150      2.195808      4.068152
  N      -0.933730      2.327599      3.064473
  H      -1.086468      3.084009      2.391914
  H      -0.317829      1.558542      2.792359
75
Coordinates from ORCA-job orca E -13838.841331444048
  N      -1.754381      1.006423      6.611895
  Mo     -3.007847      2.178051      5.331028
  N      -4.559569      2.302453      6.738939
  C      -4.347205      3.318673      7.775801
  C      -2.873819      3.363354      8.113780
  N      -2.045651      3.521995      6.865430
  C      -0.645995      3.047675      7.104573
  C      -0.645059      1.530972      7.371444
  C      -2.086715      4.959122      6.397150
  C      -2.557342      5.040185      4.946456
  N      -3.629098      4.063384      4.770410
  H       0.313171      1.086518      7.061907
  H      -0.786064      1.306347      8.439779
  H      -0.071977      3.272857      6.196969
  H      -0.200147      3.597448      7.947887
  H      -2.920521      6.052785      4.718833
  H      -1.730666      4.797796      4.261586
  H      -2.802122      5.491133      7.036418
  H      -1.098200      5.418501      6.535601
  H      -4.927568      3.075263      8.678018
  H      -4.719392      4.298592      7.427028
  H      -2.590985      2.418090      8.590367
  H      -2.634533      4.183922      8.807010
  C      -2.131899     -0.167118      6.186698
  N      -3.239603      0.060405      5.446934
  C      -4.006416     -0.095028      4.346787
  O      -4.321640      1.060742      3.883642
  C      -4.475688     -1.352045      3.787994
  C      -5.254508     -1.345679      2.617280
  C      -5.703046     -2.552077      2.090395
  C      -5.385972     -3.762322      2.714847
  C      -4.613563     -3.754104      3.880580
  Br     -4.189054     -5.395937      4.736971
  C      -4.155554     -2.561963      4.428339
  C      -4.908317      4.476902      4.634229
  N      -5.283635      5.720718      4.686657
  C      -6.611799      5.968799      4.315123
  O      -7.184456      5.362614      3.408678
  C      -7.290529      7.058310      5.081440
  C      -8.568765      7.473955      4.683661
  C      -9.240444      8.454354      5.409074
  C      -8.658124      9.021061      6.547424
  C      -7.388851      8.591394      6.936536
  Br     -6.582933      9.345748      8.497098
  C      -6.692516      7.626717      6.215416
  C      -5.847091      1.929024      6.548094
  N      -6.838933      2.476698      7.186521
  C      -8.112184      1.947531      6.934871
  O      -8.324069      0.751848      6.722975
  C      -9.208212      2.962413      6.969304
  C      -8.958410      4.311181      7.263102
  C     -10.002709      5.234244      7.247984
  C     -11.302479      4.826898      6.940922
  C     -11.537599      3.479790      6.652622
  Br    -13.312797      2.917625      6.230354
  C     -10.512153      2.542824      6.663113
  H      -1.645099     -1.135297      6.368693
  H      -5.500291     -0.397405      2.140106
  H      -6.310980     -2.560741      1.185342
  H      -5.741094     -4.706782      2.302766
  H      -3.577196     -2.570218      5.351791
  H      -5.640229      3.672444      4.469594
  H      -9.020606      7.011559      3.806173
  H     -10.232742      8.783607      5.097297
  H      -9.182485      9.784117      7.122391
  H      -5.696429      7.309184      6.519181
  H      -6.018477      1.160164      5.780792
  H      -7.943721      4.624766      7.503290
  H      -9.807835      6.283919      7.471368
  H     -12.123213      5.543845      6.924862
  H     -10.694056      1.492973      6.435185
  N      -1.718027      2.196124      4.067964
  N      -0.927113      2.327805      3.065970
  H      -1.081320      3.082027      2.391197
  H      -0.313332      1.557077      2.793631
75
Coordinates from ORCA-job orca E -13838.841337245092
  N      -1.757627      1.008719      6.614056
  Mo     -3.005126      2.180025      5.327011
  N      -4.561050      2.308916      6.731091
  C      -4.350915      3.328156      7.765415
  C      -2.878836      3.371230      8.108567
  N      -2.046459      3.525065      6.862624
  C      -0.648364      3.048973      7.107966
  C      -0.651063      1.532905      7.377957
  C      -2.083051      4.961367      6.390993
  C      -2.549703      5.040677      4.938864
  N      -3.622176      4.065184      4.760484
  H       0.307693      1.086269      7.073191
  H      -0.796882      1.310158      8.446016
  H      -0.070472      3.271338      6.202146
  H      -0.204988      3.600003      7.951750
  H      -2.910751      6.053558      4.708963
  H      -1.721699      4.796418      4.256253
  H      -2.798792      5.496387      7.027318
  H      -1.093837      5.418804      6.530801
  H      -4.935981      3.089819      8.665878
  H      -4.719149      4.307669      7.411139
  H      -2.599267      2.426995      8.589182
  H      -2.640831      4.193600      8.800133
  C      -2.137200     -0.165200      6.191907
  N      -3.240227      0.063209      5.445601
  C      -4.006157     -0.092599      4.345238
  O      -4.318098      1.063129      3.879293
  C      -4.477456     -1.349656      3.788210
  C      -5.253648     -1.344268      2.615774
  C      -5.703921     -2.550908      2.090882
  C      -5.391315     -3.760359      2.719080
  C      -4.621518     -3.751136      3.886520
  Br     -4.203003     -5.391767      4.748122
  C      -4.161719     -2.558759      4.432294
  C      -4.901145      4.479868      4.624927
  N      -5.275617      5.723819      4.681643
  C      -6.603814      5.973734      4.310352
  O      -7.176106      5.371316      3.401271
  C      -7.282923      7.058919      5.082372
  C      -8.563195      7.473032      4.689210
  C      -9.235318      8.449270      5.419833
  C      -8.651397      9.013173      6.558770
  C      -7.380212      8.585012      6.943230
  Br     -6.572539      9.335204      8.504743
  C      -6.683471      7.624482      6.216959
  C      -5.847713      1.932643      6.540504
  N      -6.840876      2.479076      7.177968
  C      -8.112740      1.946271      6.927545
  O      -8.321702      0.750585      6.713092
  C      -9.211925      2.957959      6.966052
  C      -8.965163      4.307442      7.259484
  C     -10.012445      5.227121      7.249615
  C     -11.312331      4.815794      6.948155
  C     -11.544300      3.468236      6.659591
  Br    -13.319537      2.900918      6.244332
  C     -10.515696      2.534600      6.664970
  H      -1.655505     -1.134456      6.381600
  H      -5.496104     -0.396717      2.135478
  H      -6.309732     -2.560362      1.184418
  H      -5.747914     -4.704978      2.308651
  H      -3.585220     -2.566016      5.356898
  H      -5.633764      3.676714      4.457270
  H      -9.015834      7.012703      3.811060
  H     -10.229089      8.777268      5.111468
  H      -9.176322      9.772927      7.137568
  H      -5.685853      7.308186      6.516925
  H      -6.017929      1.161806      5.774903
  H      -7.950442      4.624096      7.495427
  H      -9.819776      6.277190      7.472962
  H     -12.135491      5.530040      6.936815
  H     -10.695522      1.484359      6.437123
  N      -1.711738      2.195440      4.068074
  N      -0.916799      2.325236      3.068760
  H      -1.069761      3.077273      2.391235
  H      -0.303329      1.553123      2.799593
75
Coordinates from ORCA-job orca E -13838.841342924792
  N      -1.761290      1.011629      6.616115
  Mo     -3.002823      2.182298      5.322421
  N      -4.563487      2.316335      6.721876
  C      -4.355664      3.338658      7.753680
  C      -2.884898      3.380255      8.102305
  N      -2.047920      3.528936      6.858957
  C      -0.651563      3.051120      7.111264
  C      -0.658078      1.535751      7.384866
  C      -2.079850      4.964220      6.383545
  C      -2.542086      5.041106      4.929871
  N      -3.615794      4.067270      4.749669
  H       0.301443      1.086978      7.085606
  H      -0.809274      1.315227      8.452621
  H      -0.069324      3.270377      6.207494
  H      -0.211068      3.603556      7.955629
  H      -2.900507      6.054287      4.697071
  H      -1.712839      4.793850      4.249910
  H      -2.796319      5.502480      7.016299
  H      -1.090067      5.419852      6.525122
  H      -4.945615      3.105470      8.652248
  H      -4.720017      4.317671      7.393899
  H      -2.608695      2.437182      8.587267
  H      -2.648162      4.204551      8.792020
  C      -2.143239     -0.162926      6.197738
  N      -3.240921      0.066200      5.444101
  C      -4.005733     -0.090375      4.343377
  O      -4.314199      1.065117      3.874152
  C      -4.478968     -1.347581      3.788278
  C      -5.253484     -1.343453      2.614820
  C      -5.705285     -2.550509      2.092135
  C      -5.395904     -3.759079      2.723543
  C      -4.627703     -3.748591      3.892036
  Br     -4.213352     -5.387900      4.758179
  C      -4.166374     -2.555820      4.435646
  C      -4.894353      4.483817      4.616071
  N      -5.267240      5.728131      4.678304
  C      -6.595705      5.980593      4.308703
  O      -7.168955      5.381659      3.398010
  C      -7.273746      7.062337      5.086398
  C      -8.555567      7.476384      4.697991
  C      -9.226487      8.449889      5.433362
  C      -8.639788      9.010968      6.572270
  C      -7.367202      8.582853      6.952000
  Br     -6.556068      9.328971      8.513591
  C      -6.671617      7.625079      6.220996
  C      -5.848962      1.936506      6.531898
  N      -6.843730      2.480837      7.168521
  C      -8.113855      1.943104      6.920479
  O      -8.318861      0.746913      6.705461
  C      -9.217072      2.950664      6.961806
  C      -8.974410      4.301826      7.251219
  C     -10.025605      5.216953      7.245551
  C     -11.325520      4.799476      6.952424
  C     -11.553303      3.450537      6.667300
  Br    -13.328386      2.874949      6.262884
  C     -10.520534      2.521363      6.668539
  H      -1.666919     -1.133126      6.395977
  H      -5.493583     -0.396661      2.131843
  H      -6.309802     -2.560944      1.184815
  H      -5.753730     -4.703990      2.314853
  H      -3.590956     -2.562006      5.360913
  H      -5.628191      3.682553      4.444920
  H      -9.009900      7.018038      3.819675
  H     -10.221392      8.777834      5.128624
  H      -9.163933      9.768633      7.154503
  H      -5.672821      7.308809      6.517019
  H      -6.017554      1.163838      5.767774
  H      -7.959710      4.623180      7.480791
  H      -9.835973      6.268232      7.465742
  H     -12.151882      5.510076      6.945214
  H     -10.697436      1.469966      6.443728
  N      -1.705646      2.193750      4.067885
  N      -0.906468      2.318235      3.071204
  H      -1.055626      3.067480      2.389813
  H      -0.292331      1.544385      2.808735
75
Coordinates from ORCA-job orca E -13838.841348336626
  N      -1.766025      1.015440      6.618868
  Mo     -3.000451      2.185313      5.317076
  N      -4.566563      2.326438      6.710552
  C      -4.361090      3.352356      7.739376
  C      -2.891792      3.391964      8.094283
  N      -2.049222      3.534232      6.853980
  C      -0.655169      3.054056      7.114604
  C      -0.666612      1.539559      7.392913
  C      -2.075606      4.968114      6.373793
  C      -2.533046      5.041695      4.918430
  N      -3.608681      4.070007      4.737056
  H       0.293758      1.088053      7.100469
  H      -0.824284      1.322337      8.460402
  H      -0.067848      3.269197      6.213151
  H      -0.217784      3.608130      7.959507
  H      -2.888169      6.055193      4.681933
  H      -1.702560      4.790150      4.241642
  H      -2.792811      5.510427      7.002258
  H      -1.085116      5.421579      6.517301
  H      -4.956330      3.124764      8.635842
  H      -4.720954      4.330830      7.373670
  H      -2.619860      2.450214      8.584347
  H      -2.656118      4.218410      8.781764
  C      -2.151009     -0.159895      6.205157
  N      -3.242413      0.070038      5.443068
  C      -4.005686     -0.087845      4.341703
  O      -4.309688      1.067141      3.868073
  C      -4.481244     -1.345275      3.789065
  C      -5.255023     -1.342371      2.615224
  C      -5.708798     -2.549791      2.095035
  C      -5.402011     -3.757514      2.729242
  C      -4.634403     -3.745813      3.898145
  Br     -4.223269     -5.383901      4.768185
  C      -4.171201     -2.552690      4.439334
  C      -4.886560      4.489554      4.606265
  N      -5.256927      5.734398      4.674820
  C      -6.585831      5.990384      4.308574
  O      -7.161223      5.396140      3.396219
  C      -7.261477      7.068606      5.093132
  C      -8.544515      7.484163      4.710317
  C      -9.212987      8.454915      5.451526
  C      -8.622552      9.011660      6.590631
  C      -7.348808      8.582155      6.964729
  Br     -6.532560      9.322461      8.526427
  C      -6.655624      7.627107      6.227932
  C      -5.850534      1.942006      6.521722
  N      -6.847421      2.483846      7.157100
  C      -8.115051      1.938767      6.913068
  O      -8.313963      0.741139      6.700402
  C      -9.224125      2.939996      6.955960
  C      -8.987936      4.294192      7.236480
  C     -10.044941      5.202548      7.233650
  C     -11.344388      4.775223      6.952545
  C     -11.565627      3.423493      6.675899
  Br    -13.339852      2.834378      6.287641
  C     -10.526807      2.500991      6.674191
  H      -1.680883     -1.131079      6.413070
  H      -5.493172     -0.396254      2.129951
  H      -6.312867     -2.561124      1.187418
  H      -5.761279     -4.702693      2.322433
  H      -3.596084     -2.557997      5.364787
  H      -5.622202      3.690753      4.431461
  H      -9.001410      7.028941      3.831690
  H     -10.208875      8.784032      5.151272
  H      -9.144814      9.767280      7.177205
  H      -5.655893      7.309587      6.519411
  H      -6.016717      1.166860      5.759578
  H      -7.973613      4.623121      7.456834
  H      -9.860244      6.256182      7.446719
  H     -12.175405      5.480404      6.948380
  H     -10.698793      1.447354      6.456160
  N      -1.698809      2.190730      4.067662
  N      -0.894728      2.307176      3.074047
  H      -1.037586      3.053290      2.387993
  H      -0.279719      1.531006      2.820819
75
Coordinates from ORCA-job orca E -13838.841355241319
  N      -1.773083      1.021375      6.623305
  Mo     -2.997544      2.190038      5.310139
  N      -4.570907      2.341777      6.694691
  C      -4.368342      3.372564      7.719430
  C      -2.901001      3.409294      8.082800
  N      -2.050560      3.542464      6.846754
  C      -0.659916      3.058775      7.118667
  C      -0.678506      1.545585      7.403904
  C      -2.069330      4.974158      6.359648
  C      -2.520428      5.042748      4.902015
  N      -3.598985      4.074113      4.719757
  H       0.282858      1.090065      7.121038
  H      -0.845080      1.333728      8.471122
  H      -0.065931      3.267781      6.220151
  H      -0.226274      3.615134      7.963992
  H      -2.870878      6.056599      4.660123
  H      -1.688308      4.784830      4.229733
  H      -2.787437      5.522185      6.982128
  H      -1.077865      5.424653      6.505697
  H      -4.970159      3.151909      8.613186
  H      -4.722146      4.350312      7.346170
  H      -2.635277      2.469346      8.579845
  H      -2.666478      4.238616      8.767168
  C      -2.162342     -0.154994      6.216159
  N      -3.245350      0.075937      5.442910
  C      -4.006204     -0.084156      4.340454
  O      -4.303919      1.069914      3.860423
  C      -4.484780     -1.341987      3.791287
  C      -5.258228     -1.340422      2.617315
  C      -5.714722     -2.548154      2.100202
  C      -5.410739     -3.754928      2.737481
  C      -4.643273     -3.741911      3.906504
  Br     -4.235555     -5.378724      4.780631
  C      -4.177573     -2.548458      4.444736
  C      -4.875764      4.498422      4.592575
  N      -5.242243      5.743972      4.668885
  C      -6.571911      6.005044      4.308673
  O      -7.151157      5.418130      3.394065
  C      -7.243474      7.078208      5.103531
  C      -8.528361      7.496185      4.729726
  C      -9.192941      8.462370      5.480325
  C      -8.596589      9.012219      6.619693
  C      -7.320865      8.580723      6.984531
  Br     -6.496057      9.312120      8.546000
  C      -6.631612      7.630071      6.238492
  C      -5.852788      1.951008      6.507651
  N      -6.852742      2.489875      7.140852
  C      -8.116504      1.933525      6.903012
  O      -8.305819      0.733283      6.695823
  C      -9.234432      2.924734      6.946764
  C      -9.008597      4.283667      7.212278
  C     -10.074444      5.181638      7.211598
  C     -11.372509      4.739035      6.948064
  C     -11.583319      3.382766      6.686065
  Br    -13.355441      2.772625      6.321662
  C     -10.535466      2.470502      6.681979
  H      -1.700554     -1.127364      6.436730
  H      -5.494121     -0.394992      2.129597
  H      -6.318740     -2.560407      1.192555
  H      -5.771902     -4.700359      2.332935
  H      -3.602339     -2.552950      5.370122
  H      -5.614056      3.702927      4.413902
  H      -8.989654      7.046134      3.850719
  H     -10.190428      8.793335      5.187470
  H      -9.115686      9.764379      7.213485
  H      -5.630395      7.310693      6.522750
  H      -6.015164      1.171975      5.748684
  H      -7.995315      4.624483      7.419018
  H      -9.897776      6.239014      7.412668
  H     -12.210474      5.435971      6.946268
  H     -10.699295      1.413286      6.475329
  N      -1.690041      2.185158      4.067394
  N      -0.879531      2.287970      3.077703
  H      -1.012517      3.029146      2.384481
  H      -0.264598      1.507546      2.837945
75
Coordinates from ORCA-job orca E -13838.841363196980
  N      -1.783608      1.029596      6.630424
  Mo     -2.994124      2.196670      5.301819
  N      -4.576549      2.363169      6.674123
  C      -4.377504      3.400506      7.693171
  C      -2.912800      3.433139      8.067637
  N      -2.051873      3.553816      6.837401
  C      -0.666016      3.065066      7.123835
  C      -0.694572      1.553784      7.418544
  C      -2.060214      4.982326      6.340794
  C      -2.503484      5.044140      4.880308
  N      -3.585932      4.079554      4.697357
  H       0.267608      1.092454      7.148145
  H      -0.872564      1.349827      8.485461
  H      -0.063739      3.265461      6.228884
  H      -0.236528      3.624477      7.969259
  H      -2.847796      6.058351      4.631266
  H      -1.669321      4.777966      4.213864
  H      -2.778820      5.538305      6.955629
  H      -1.067207      5.428487      6.489592
  H      -4.987411      3.188665      8.583506
  H      -4.723048      4.377236      7.310075
  H      -2.655778      2.495617      8.573913
  H      -2.679550      4.266265      8.747772
  C      -2.178201     -0.147797      6.231188
  N      -3.250816      0.084381      5.444289
  C      -4.007750     -0.078939      4.339881
  O      -4.297068      1.073713      3.851145
  C      -4.489721     -1.337433      3.795172
  C      -5.262227     -1.337405      2.620589
  C      -5.721985     -2.545389      2.106985
  C      -5.421873     -3.751023      2.748211
  C      -4.655157     -3.736492      3.917737
  Br     -4.252319     -5.371863      4.796886
  C      -4.186515     -2.542713      4.452620
  C      -4.861087      4.510527      4.573388
  N      -5.222131      5.756952      4.657771
  C      -6.552558      6.025050      4.305613
  O      -7.136555      5.449677      3.386787
  C      -7.219020      7.090021      5.115618
  C      -8.506860      7.510558      4.755229
  C      -9.166910      8.468312      5.520483
  C      -8.562831      9.007394      6.660918
  C      -7.283808      8.574117      7.011807
  Br     -6.447551      9.291586      8.573725
  C      -6.599233      7.631601      6.251378
  C      -5.855912      1.964503      6.489374
  N      -6.859856      2.500564      7.119034
  C      -8.118277      1.929094      6.889394
  O      -8.294480      0.725305      6.689997
  C      -9.248043      2.906373      6.934286
  C      -9.036657      4.271352      7.179396
  C     -10.114367      5.155169      7.181285
  C     -11.409840      4.692135      6.941168
  C     -11.606097      3.329983      6.699132
  Br    -13.374595      2.691874      6.366615
  C     -10.546321      2.431675      6.692227
  H      -1.726877     -1.121544      6.466694
  H      -5.494872     -0.392747      2.129832
  H      -6.325504     -2.558667      1.199018
  H      -5.785291     -4.696690      2.346247
  H      -3.611548     -2.546328      5.378182
  H      -5.602856      3.719058      4.391197
  H      -8.974213      7.068804      3.875208
  H     -10.166946      8.801181      5.238651
  H      -9.078150      9.752947      7.266221
  H      -5.595578      7.310551      6.524938
  H      -6.013080      1.179657      5.735385
  H      -8.025311      4.628274      7.367790
  H      -9.949006      6.217317      7.366236
  H     -12.257008      5.377863      6.941869
  H     -10.698533      1.369839      6.500997
  N      -1.679025      2.176870      4.067677
  N      -0.860355      2.261527      3.083182
  H      -0.980916      2.995754      2.380455
  H      -0.247361      1.474830      2.859681
75
Coordinates from ORCA-job orca E -13838.841370526046
  N      -1.795377      1.038543      6.638976
  Mo     -2.990982      2.203817      5.294178
  N      -4.582210      2.385520      6.653605
  C      -4.386457      3.429649      7.666558
  C      -2.924473      3.458093      8.052236
  N      -2.052980      3.565804      6.828098
  C      -0.672092      3.071801      7.128716
  C      -0.710921      1.562665      7.433297
  C      -2.050437      4.990798      6.321527
  C      -2.485966      5.045524      4.858207
  N      -3.572041      4.084846      4.674622
  H       0.251518      1.095030      7.174985
  H      -0.899704      1.367387      8.499983
  H      -0.062012      3.263139      6.237062
  H      -0.246104      3.634443      7.973765
  H      -2.824236      6.059934      4.601842
  H      -1.649701      4.771439      4.197640
  H      -2.768987      5.555142      6.928774
  H      -1.055687      5.432258      6.472622
  H      -5.004107      3.226688      8.553554
  H      -4.723420      4.405161      7.273325
  H      -2.676490      2.523178      8.567856
  H      -2.692508      4.295181      8.727907
  C      -2.194517     -0.139523      6.246488
  N      -3.257636      0.093656      5.447149
  C      -4.009581     -0.073463      4.340156
  O      -4.290417      1.077478      3.842328
  C      -4.494055     -1.332954      3.799924
  C      -5.264485     -1.334855      2.623897
  C      -5.726841     -2.543223      2.113618
  C      -5.431112     -3.747488      2.759460
  C      -4.666354     -3.731048      3.930232
  Br     -4.269255     -5.364704      4.815200
  C      -4.195420     -2.536755      4.461956
  C      -4.845584      4.522330      4.551613
  N      -5.201529      5.769397      4.641908
  C      -6.532367      6.044352      4.296853
  O      -7.119158      5.483270      3.371155
  C      -7.195836      7.097357      5.124826
  C      -8.487705      7.518171      4.779634
  C      -9.145439      8.462937      5.562840
  C      -8.534837      8.988921      6.705900
  C      -7.251396      8.556149      7.040989
  Br     -6.405318      9.256256      8.605514
  C      -6.569313      7.626410      6.262885
  C      -5.859337      1.980070      6.470584
  N      -6.866951      2.514815      7.096063
  C      -8.120367      1.929907      6.872895
  O      -8.284691      0.723445      6.677912
  C      -9.260690      2.894221      6.921400
  C      -9.062680      4.263598      7.152212
  C     -10.150971      5.134521      7.158782
  C     -11.443445      4.654049      6.937838
  C     -11.626188      3.287602      6.709639
  Br    -13.390725      2.625872      6.403053
  C     -10.555944      2.401996      6.698010
  H      -1.752681     -1.114414      6.494796
  H      -5.493420     -0.391110      2.129668
  H      -6.328911     -2.557841      1.204714
  H      -5.796345     -4.693511      2.360001
  H      -3.621649     -2.539169      5.388269
  H      -5.590357      3.734281      4.366821
  H      -8.960437      7.086651      3.897420
  H     -10.148826      8.795957      5.293331
  H      -9.048092      9.724129      7.325436
  H      -5.562331      7.305775      6.524396
  H      -6.011525      1.189119      5.722072
  H      -8.053576      4.634471      7.325335
  H      -9.996159      6.200117      7.332718
  H     -12.298732      5.329602      6.942245
  H     -10.697137      1.336791      6.517422
  N      -1.668399      2.167187      4.068520
  N      -0.842026      2.232324      3.089056
  H      -0.950382      2.958900      2.376484
  H      -0.233378      1.438166      2.880612
75
Coordinates from ORCA-job orca E -13838.841388229981
  N      -1.817102      1.053769      6.654354
  Mo     -2.986914      2.215253      5.282130
  N      -4.591856      2.421994      6.620511
  C      -4.401252      3.477915      7.622442
  C      -2.943944      3.499719      8.026466
  N      -2.055636      3.585514      6.812653
  C      -0.683024      3.082988      7.135960
  C      -0.738852      1.577822      7.457093
  C      -2.034480      5.004241      6.289353
  C      -2.457679      5.046968      4.821620
  N      -3.549176      4.092446      4.636913
  H       0.223087      1.099323      7.217691
  H      -0.944089      1.397375      8.523339
  H      -0.060845      3.259002      6.249510
  H      -0.262083      3.651336      7.979721
  H      -2.786337      6.061448      4.553273
  H      -1.618030      4.760818      4.170525
  H      -2.751804      5.582975      6.884389
  H      -1.036488      5.437262      6.443347
  H      -5.031422      3.290433      8.503881
  H      -4.723742      4.450825      7.211608
  H      -2.710851      2.569537      8.557447
  H      -2.714136      4.343613      8.694350
  C      -2.222147     -0.125027      6.270900
  N      -3.271237      0.109265      5.453324
  C      -4.013076     -0.064966      4.340902
  O      -4.280322      1.082634      3.827829
  C      -4.499861     -1.326694      3.807944
  C      -5.262985     -1.333342      2.627002
  C      -5.727886     -2.542988      2.122235
  C      -5.441661     -3.744050      2.778317
  C      -4.684133     -3.722886      3.953660
  Br     -4.299860     -5.352347      4.851926
  C      -4.211081     -2.527067      4.480123
  C      -4.820002      4.540163      4.512518
  N      -5.167612      5.788209      4.609989
  C      -6.498035      6.075421      4.274067
  O      -7.086234      5.542257      3.333223
  C      -7.159041      7.103828      5.134408
  C      -8.457211      7.524659      4.813911
  C      -9.113300      8.442923      5.629458
  C      -8.494640      8.942343      6.780043
  C      -7.204437      8.510534      7.089581
  Br     -6.346166      9.174665      8.663070
  C      -6.524252      7.607061      6.279643
  C      -5.865898      2.006893      6.439747
  N      -6.878949      2.541335      7.057707
  C      -8.124915      1.937357      6.842892
  O      -8.272213      0.728059      6.649488
  C      -9.280399      2.882348      6.901650
  C      -9.102597      4.256268      7.120985
  C     -10.206131      5.107947      7.139703
  C     -11.493247      4.603592      6.942594
  C     -11.655544      3.232756      6.725209
  Br    -13.413202      2.538725      6.451379
  C     -10.570310      2.366130      6.701502
  H      -1.794315     -1.101464      6.536884
  H      -5.484131     -0.391852      2.125022
  H      -6.324423     -2.561114      1.209763
  H      -5.808709     -4.691144      2.383105
  H      -3.642608     -2.526047      5.409701
  H      -5.569243      3.757162      4.324355
  H      -8.936806      7.113985      3.925500
  H     -10.121792      8.775933      5.379655
  H      -9.006319      9.656357      7.425129
  H      -5.512111      7.287529      6.521806
  H      -6.010803      1.205707      5.700900
  H      -8.097674      4.646344      7.275544
  H     -10.067268      6.177006      7.305478
  H     -12.360224      5.263927      6.956736
  H     -10.694770      1.297443      6.529553
  N      -1.651913      2.151549      4.071006
  N      -0.813419      2.189125      3.100351
  H      -0.905480      2.903306      2.373078
  H      -0.212635      1.383896      2.912496
75
Coordinates from ORCA-job orca E -13838.841401898742
  N      -1.844465      1.074380      6.674180
  Mo     -2.983348      2.230949      5.269839
  N      -4.602776      2.467176      6.582417
  C      -4.416788      3.535866      7.571913
  C      -2.964874      3.550018      7.996213
  N      -2.057683      3.610655      6.794761
  C      -0.694925      3.098118      7.142568
  C      -0.770673      1.598086      7.483110
  C      -2.014761      5.021357      6.252021
  C      -2.423961      5.049683      4.779390
  N      -3.521322      4.102082      4.593929
  H       0.189387      1.106421      7.264099
  H      -0.992683      1.436344      8.548984
  H      -0.060494      3.255850      6.261333
  H      -0.277839      3.672979      7.983847
  H      -2.741572      6.063841      4.496884
  H      -1.580512      4.749793      4.139345
  H      -2.729843      5.616817      6.833101
  H      -1.012952      5.444369      6.408919
  H      -5.059435      3.364693      8.447501
  H      -4.722924      4.505474      7.142032
  H      -2.749150      2.625438      8.544012
  H      -2.737128      4.401487      8.655134
  C      -2.254148     -0.104675      6.298327
  N      -3.289872      0.130452      5.463329
  C      -4.018122     -0.054035      4.343781
  O      -4.270411      1.088649      3.812366
  C      -4.505114     -1.319440      3.819652
  C      -5.259669     -1.332927      2.632905
  C      -5.725488     -2.544691      2.134389
  C      -5.448356     -3.741447      2.802329
  C      -4.699426     -3.713479      3.982912
  Br     -4.327659     -5.337400      4.896316
  C      -4.225968     -2.515140      4.503445
  C      -4.788972      4.561178      4.462380
  N      -5.128186      5.809772      4.563401
  C      -6.457579      6.110107      4.236370
  O      -7.042824      5.616045      3.273102
  C      -7.121084      7.099821      5.139349
  C      -8.428276      7.514889      4.849872
  C      -9.087785      8.390070      5.709048
  C      -8.463554      8.851902      6.872193
  C      -7.163590      8.427226      7.149475
  Br     -6.296043      9.040059      8.738528
  C      -6.480332      7.566755      6.296590
  C      -5.874174      2.044254      6.402397
  N      -6.892598      2.581356      7.010765
  C      -8.131300      1.960380      6.799852
  O      -8.262603      0.750064      6.598107
  C      -9.300690      2.885825      6.877371
  C      -9.142622      4.261057      7.102623
  C     -10.260468      5.093748      7.141089
  C     -11.541227      4.569195      6.957313
  C     -11.683425      3.197065      6.733400
  Br    -13.433341      2.476044      6.478285
  C     -10.584546      2.349138      6.690590
  H      -1.838893     -1.082515      6.578599
  H      -5.473048     -0.394359      2.122224
  H      -6.315468     -2.567909      1.217800
  H      -5.816005     -4.690318      2.412009
  H      -3.663745     -2.509256      5.436801
  H      -5.542007      3.782339      4.272054
  H      -8.913597      7.133729      3.951532
  H     -10.103551      8.718638      5.483991
  H      -8.977497      9.531035      7.552172
  H      -5.460772      7.253627      6.514682
  H      -6.011394      1.232018      5.674480
  H      -8.142686      4.667892      7.246378
  H     -10.137471      6.163659      7.313276
  H     -12.418968      5.214651      6.985951
  H     -10.691663      1.279457      6.513774
  N      -1.634986      2.129141      4.075000
  N      -0.784230      2.125318      3.114315
  H      -0.853270      2.822973      2.368572
  H      -0.200455      1.302419      2.950573
75
Coordinates from ORCA-job orca E -13838.841455923617
  N      -1.890239      1.123875      6.697035
  Mo     -2.980868      2.251893      5.230229
  N      -4.634141      2.533256      6.499288
  C      -4.462912      3.631115      7.460237
  C      -3.021227      3.646817      7.921040
  N      -2.084637      3.663664      6.741209
  C      -0.735414      3.149104      7.140171
  C      -0.834172      1.660373      7.520635
  C      -2.008550      5.057499      6.159147
  C      -2.379881      5.047086      4.676495
  N      -3.482907      4.107184      4.485180
  H       0.126123      1.153596      7.339475
  H      -1.084181      1.527767      8.584281
  H      -0.075401      3.276538      6.272984
  H      -0.337567      3.745456      7.975705
  H      -2.678642      6.057269      4.360400
  H      -1.525735      4.721308      4.064502
  H      -2.729014      5.680224      6.703873
  H      -1.004872      5.470962      6.328270
  H      -5.133518      3.498392      8.321070
  H      -4.747504      4.588681      6.988779
  H      -2.824385      2.738010      8.501502
  H      -2.803536      4.516558      8.559178
  C      -2.302666     -0.061593      6.343110
  N      -3.311546      0.160771      5.473082
  C      -4.015263     -0.048666      4.342582
  O      -4.241542      1.080239      3.771566
  C      -4.504458     -1.324409      3.846099
  C      -5.224033     -1.372336      2.639565
  C      -5.689918     -2.596533      2.171827
  C      -5.447761     -3.771317      2.890093
  C      -4.733392     -3.708985      4.090720
  Br     -4.409654     -5.301511      5.075250
  C      -4.260069     -2.498022      4.580920
  C      -4.746449      4.581245      4.359804
  N      -5.068165      5.831391      4.491750
  C      -6.398856      6.160787      4.197093
  O      -6.994590      5.732950      3.209787
  C      -7.045940      7.078847      5.182655
  C      -8.361319      7.506425      4.954931
  C      -9.002860      8.312212      5.892175
  C      -8.352234      8.689322      7.071378
  C      -7.045067      8.251905      7.286697
  Br     -6.143779      8.744645      8.898806
  C      -6.379563      7.460697      6.356613
  C      -5.898428      2.097043      6.317493
  N      -6.929055      2.635048      6.904489
  C      -8.157773      1.995288      6.688642
  O      -8.271943      0.791647      6.444799
  C      -9.345119      2.896196      6.808747
  C      -9.217100      4.257993      7.121079
  C     -10.352642      5.061752      7.209441
  C     -11.622276      4.522981      6.990517
  C     -11.734476      3.165704      6.679302
  Br    -13.467206      2.423156      6.374613
  C     -10.616440      2.346410      6.585505
  H      -1.910383     -1.035884      6.665647
  H      -5.412049     -0.451153      2.088748
  H      -6.253314     -2.646677      1.239664
  H      -5.815938     -4.729586      2.523811
  H      -3.726160     -2.463876      5.530151
  H      -5.509536      3.816142      4.155301
  H      -8.864677      7.187818      4.042115
  H     -10.025602      8.648772      5.715774
  H      -8.854414      9.313447      7.810208
  H      -5.355198      7.134257      6.527988
  H      -6.025197      1.267331      5.607487
  H      -8.226390      4.674702      7.294817
  H     -10.252762      6.121118      7.449102
  H     -12.513579      5.146335      7.061778
  H     -10.702392      1.288001      6.342453
  N      -1.606197      2.109580      4.073435
  N      -0.732698      2.076015      3.133623
  H      -0.781034      2.754505      2.369176
  H      -0.147604      1.247471      3.008477
75
Coordinates from ORCA-job orca E -13838.841520937081
  N      -1.885455      1.110619      6.693496
  Mo     -2.982604      2.247169      5.240027
  N      -4.625866      2.521112      6.522040
  C      -4.449934      3.610834      7.490638
  C      -3.005912      3.623156      7.941864
  N      -2.077114      3.649902      6.755999
  C      -0.725473      3.131915      7.141858
  C      -0.822802      1.640777      7.513060
  C      -2.005933      5.047938      6.184124
  C      -2.387262      5.047971      4.703775
  N      -3.491313      4.108461      4.513771
  H       0.135634      1.133920      7.322823
  H      -1.066455      1.501931      8.577409
  H      -0.071925      3.264272      6.270457
  H      -0.320457      3.722238      7.978265
  H      -2.688332      6.059633      4.395011
  H      -1.535785      4.727062      4.085678
  H      -2.722302      5.666405      6.738975
  H      -1.000962      5.459972      6.349042
  H      -5.112900      3.467390      8.355732
  H      -4.739889      4.572385      7.031491
  H      -2.804996      2.708855      8.511643
  H      -2.784108      4.486918      8.586727
  C      -2.298723     -0.072583      6.332285
  N      -3.314668      0.155746      5.472308
  C      -4.020680     -0.046732      4.341695
  O      -4.250210      1.086263      3.780523
  C      -4.510647     -1.319372      3.838094
  C      -5.227641     -1.359489      2.629473
  C      -5.695200     -2.580085      2.154277
  C      -5.457626     -3.759001      2.867399
  C      -4.746212     -3.704443      4.070100
  Br     -4.429681     -5.302771      5.047325
  C      -4.271010     -2.497100      4.567532
  C      -4.753855      4.583045      4.379619
  N      -5.072274      5.835600      4.494124
  C      -6.397226      6.170538      4.182809
  O      -6.984173      5.743888      3.189746
  C      -7.048796      7.101824      5.153633
  C      -8.356424      7.541500      4.905718
  C      -9.003539      8.356840      5.830908
  C      -8.366637      8.731562      7.018400
  C      -7.066793      8.282436      7.253578
  Br     -6.183618      8.772495      8.876289
  C      -6.395718      7.481962      6.335427
  C      -5.891688      2.084898      6.343969
  N      -6.919475      2.621596      6.937662
  C      -8.148238      1.977300      6.735103
  O      -8.259987      0.768092      6.517999
  C      -9.337314      2.877324      6.838619
  C      -9.210884      4.249653      7.100833
  C     -10.348186      5.053192      7.169613
  C     -11.617884      4.503368      6.981350
  C     -11.728662      3.135065      6.721122
  Br    -13.461996      2.376970      6.461325
  C     -10.609332      2.315949      6.647101
  H      -1.901648     -1.049285      6.641359
  H      -5.411713     -0.435034      2.082869
  H      -6.256176     -2.624229      1.220387
  H      -5.827322     -4.714457      2.495451
  H      -3.739856     -2.468832      5.518464
  H      -5.517594      3.816898      4.181481
  H      -8.850234      7.225189      3.986979
  H     -10.019980      8.703431      5.638339
  H      -8.873119      9.362714      7.748342
  H      -5.376913      7.147098      6.522492
  H      -6.020669      1.255730      5.633624
  H      -8.220098      4.675593      7.251136
  H     -10.249714      6.120652      7.370536
  H     -12.510420      5.126430      7.036940
  H     -10.693738      1.248895      6.443694
  N      -1.611775      2.121688      4.075972
  N      -0.741645      2.117371      3.131988
  H      -0.810543      2.802908      2.375244
  H      -0.149581      1.297107      2.986409
75
Coordinates from ORCA-job orca E -13838.841562814405
  N      -1.906011      1.126575      6.704701
  Mo     -2.983058      2.257061      5.231159
  N      -4.632385      2.550925      6.500820
  C      -4.456735      3.645438      7.463850
  C      -3.015529      3.654044      7.922649
  N      -2.079345      3.666940      6.742139
  C      -0.732953      3.143248      7.139683
  C      -0.841973      1.656044      7.523131
  C      -1.995964      5.059365      6.159474
  C      -2.366399      5.048159      4.676193
  N      -3.475036      4.113938      4.485383
  H       0.113268      1.140076      7.341609
  H      -1.090787      1.528425      8.587705
  H      -0.074420      3.263576      6.270253
  H      -0.327939      3.738175      7.972843
  H      -2.658114      6.058735      4.355279
  H      -1.511962      4.716117      4.068290
  H      -2.711665      5.687149      6.704637
  H      -0.989228      5.465856      6.327310
  H      -5.123456      3.507839      8.327020
  H      -4.741769      4.605632      6.999103
  H      -2.821531      2.742639      8.498768
  H      -2.793568      4.521321      8.562806
  C      -2.320706     -0.056771      6.346052
  N      -3.333214      0.171459      5.481620
  C      -4.026078     -0.039401      4.343952
  O      -4.244791      1.089301      3.770406
  C      -4.514143     -1.315230      3.846577
  C      -5.210847     -1.365235      2.626404
  C      -5.677099     -2.588549      2.157093
  C      -5.458626     -3.760461      2.887676
  C      -4.767726     -3.696054      4.101738
  Br     -4.478575     -5.284596      5.102937
  C      -4.293875     -2.485740      4.593387
  C      -4.734351      4.598149      4.341698
  N      -5.041770      5.852809      4.450179
  C      -6.359765      6.207884      4.133357
  O      -6.930275      5.833300      3.110841
  C      -7.022110      7.095925      5.137525
  C      -8.324152      7.553654      4.893559
  C      -8.982137      8.322233      5.850758
  C      -8.362211      8.631024      7.065973
  C      -7.067880      8.164003      7.296576
  Br     -6.208593      8.559983      8.957236
  C      -6.385947      7.410580      6.347337
  C      -5.897430      2.111841      6.324939
  N      -6.926278      2.650550      6.916475
  C      -8.152535      1.998885      6.719752
  O      -8.259045      0.790216      6.496118
  C      -9.347046      2.889619      6.839953
  C      -9.229337      4.259971      7.116230
  C     -10.372358      5.054236      7.198525
  C     -11.638932      4.497539      7.009721
  C     -11.741029      3.131051      6.736544
  Br    -13.470064      2.362737      6.477718
  C     -10.616219      2.320978      6.649601
  H      -1.927502     -1.034281      6.657545
  H      -5.379961     -0.446079      2.066223
  H      -6.222069     -2.640415      1.214185
  H      -5.827682     -4.717978      2.520498
  H      -3.779552     -2.449405      5.553200
  H      -5.502524      3.836704      4.142998
  H      -8.805310      7.288536      3.952221
  H      -9.994106      8.683196      5.661152
  H      -8.877945      9.224234      7.820890
  H      -5.371590      7.061401      6.532269
  H      -6.025249      1.276923      5.621122
  H      -8.241093      4.691909      7.266743
  H     -10.280920      6.120000      7.411136
  H     -12.535557      5.113755      7.074495
  H     -10.693435      1.255174      6.436609
  N      -1.603718      2.114386      4.078800
  N      -0.726939      2.103259      3.140568
  H      -0.793580      2.782879      2.378148
  H      -0.139447      1.278864      2.999507
75
Coordinates from ORCA-job orca E -13838.841603740802
  N      -1.915897      1.135805      6.707367
  Mo     -2.983177      2.264098      5.225244
  N      -4.635501      2.568764      6.488572
  C      -4.459476      3.661991      7.452679
  C      -3.019615      3.669154      7.913867
  N      -2.080252      3.676358      6.735434
  C      -0.736357      3.149581      7.137989
  C      -0.850914      1.663858      7.525549
  C      -1.991896      5.066289      6.148628
  C      -2.350090      5.047976      4.662483
  N      -3.463351      4.119494      4.468875
  H       0.102637      1.143688      7.347131
  H      -1.101303      1.539818      8.590219
  H      -0.075612      3.264939      6.269536
  H      -0.331320      3.746083      7.969986
  H      -2.631785      6.058007      4.331207
  H      -1.492652      4.704709      4.065089
  H      -2.712087      5.696185      6.685362
  H      -0.986303      5.472890      6.323205
  H      -5.126669      3.523206      8.315468
  H      -4.744554      4.622929      6.990209
  H      -2.828025      2.758929      8.492363
  H      -2.797558      4.537883      8.552080
  C      -2.334178     -0.047219      6.352101
  N      -3.345175      0.181728      5.485812
  C      -4.030437     -0.032663      4.343735
  O      -4.242068      1.093738      3.763208
  C      -4.517330     -1.309779      3.848527
  C      -5.195615     -1.365351      2.618208
  C      -5.660624     -2.589745      2.150574
  C      -5.459372     -3.757285      2.893025
  C      -4.786994     -3.687330      4.117118
  Br     -4.521938     -5.269779      5.134299
  C      -4.314466     -2.475765      4.607137
  C      -4.719947      4.612672      4.321471
  N      -5.018589      5.869276      4.423004
  C      -6.330004      6.240228      4.097263
  O      -6.882221      5.905860      3.051719
  C      -7.007696      7.095637      5.120537
  C      -8.302844      7.568769      4.869439
  C      -8.976159      8.302991      5.842865
  C      -8.378925      8.561561      7.081053
  C      -7.091323      8.079780      7.318204
  Br     -6.262756      8.405592      9.009386
  C      -6.393847      7.361612      6.353293
  C      -5.899858      2.127252      6.316130
  N      -6.927222      2.662907      6.913637
  C      -8.152733      2.007947      6.724845
  O      -8.258035      0.798881      6.501887
  C      -9.348317      2.895634      6.854241
  C      -9.231712      4.266610      7.128087
  C     -10.375915      5.058524      7.216178
  C     -11.642521      4.499320      7.035023
  C     -11.743556      3.132130      6.764709
  Br    -13.472437      2.360229      6.516287
  C     -10.617696      2.324124      6.672620
  H      -1.944353     -1.025085      6.666753
  H      -5.351228     -0.449623      2.048558
  H      -6.190974     -2.645951      1.199611
  H      -5.827529     -4.715660      2.527208
  H      -3.815290     -2.434788      5.574725
  H      -5.492193      3.855604      4.122098
  H      -8.766647      7.342345      3.909449
  H      -9.982732      8.675870      5.647725
  H      -8.907228      9.127333      7.848292
  H      -5.384120      7.002433      6.543562
  H      -6.028670      1.293224      5.611491
  H      -8.243374      4.701209      7.271428
  H     -10.285465      6.124736      7.426904
  H     -12.539771      5.114357      7.102376
  H     -10.694258      1.257746      6.461838
  N      -1.599845      2.109087      4.079539
  N      -0.719317      2.084787      3.144845
  H      -0.774234      2.763294      2.380414
  H      -0.138386      1.254599      3.010589
75
Coordinates from ORCA-job orca E -13838.841637974845
  N      -1.915776      1.139760      6.701854
  Mo     -2.982938      2.268409      5.221233
  N      -4.635444      2.575295      6.484328
  C      -4.459345      3.664038      7.453021
  C      -3.019225      3.672501      7.912647
  N      -2.080416      3.680185      6.733543
  C      -0.736580      3.153278      7.135368
  C      -0.850585      1.666698      7.520380
  C      -1.993894      5.070209      6.147334
  C      -2.340147      5.047628      4.658759
  N      -3.457701      4.124545      4.462701
  H       0.103109      1.147397      7.340010
  H      -1.099387      1.539724      8.585119
  H      -0.075781      3.269949      6.267113
  H      -0.331878      3.748833      7.968162
  H      -2.612386      6.057378      4.318812
  H      -1.480212      4.693528      4.071339
  H      -2.722782      5.696245      6.676813
  H      -0.992161      5.482665      6.330742
  H      -5.124742      3.519875      8.316531
  H      -4.748739      4.626548      6.996858
  H      -2.826352      2.762637      8.491560
  H      -2.796956      4.541642      8.550205
  C      -2.338360     -0.042910      6.350524
  N      -3.349908      0.186413      5.484846
  C      -4.033747     -0.027310      4.341465
  O      -4.242103      1.098453      3.758598
  C      -4.522284     -1.304000      3.846966
  C      -5.186395     -1.362301      2.609131
  C      -5.652262     -2.586653      2.142175
  C      -5.466005     -3.751414      2.892830
  C      -4.807695     -3.678720      4.124435
  Br     -4.562654     -5.257339      5.152356
  C      -4.334512     -2.467148      4.613846
  C      -4.712410      4.624494      4.317443
  N      -5.005489      5.882413      4.412614
  C      -6.312312      6.263933      4.081142
  O      -6.851897      5.952490      3.022400
  C      -7.001906      7.102281      5.111430
  C      -8.287049      7.594485      4.845675
  C      -8.971925      8.314391      5.821658
  C      -8.396927      8.539055      7.076921
  C      -7.119598      8.038134      7.328733
  Br     -6.320815      8.317611      9.042587
  C      -6.410116      7.335093      6.361566
  C      -5.898518      2.129945      6.315946
  N      -6.923969      2.657342      6.923529
  C      -8.148458      2.000031      6.743159
  O      -8.252526      0.789016      6.529764
  C      -9.343853      2.888081      6.869278
  C      -9.225820      4.262879      7.122768
  C     -10.369571      5.055575      7.207778
  C     -11.637274      4.493458      7.043859
  C     -11.739770      3.122674      6.792915
  Br    -13.469901      2.347080      6.566485
  C     -10.614212      2.313737      6.703639
  H      -1.949740     -1.020149      6.668616
  H      -5.330378     -0.448852      2.032758
  H      -6.171408     -2.644976      1.185154
  H      -5.834676     -4.709776      2.527445
  H      -3.847169     -2.423567      5.587399
  H      -5.487896      3.869805      4.121600
  H      -8.733545      7.394461      3.871655
  H      -9.970463      8.702458      5.615193
  H      -8.934511      9.093927      7.845693
  H      -5.407043      6.963648      6.562850
  H      -6.028318      1.301334      5.605182
  H      -8.236592      4.699933      7.252760
  H     -10.278136      6.124723      7.402642
  H     -12.534148      5.109267      7.109116
  H     -10.692420      1.244665      6.507673
  N      -1.598898      2.107772      4.077565
  N      -0.717159      2.071400      3.144819
  H      -0.757760      2.751893      2.381438
  H      -0.139063      1.238030      3.019118
75
Coordinates from ORCA-job orca E -13838.841648994503
  N      -1.917288      1.145639      6.701746
  Mo     -2.980377      2.273469      5.217890
  N      -4.634879      2.584863      6.477699
  C      -4.458743      3.673709      7.446100
  C      -3.018887      3.681479      7.907888
  N      -2.078634      3.686227      6.730084
  C      -0.736278      3.158706      7.134411
  C      -0.852551      1.672423      7.520754
  C      -1.990989      5.075446      6.141965
  C      -2.329918      5.048962      4.652005
  N      -3.449263      4.128226      4.454573
  H       0.101013      1.152427      7.341561
  H      -1.102285      1.546693      8.585420
  H      -0.073684      3.273989      6.267326
  H      -0.332572      3.754471      7.967539
  H      -2.597129      6.058320      4.306786
  H      -1.468318      4.689185      4.070608
  H      -2.724380      5.700936      6.665854
  H      -0.991312      5.490827      6.330222
  H      -5.125752      3.531271      8.308629
  H      -4.746642      4.636087      6.988638
  H      -2.828052      2.772842      8.489724
  H      -2.796130      4.551850      8.543558
  C      -2.342373     -0.036833      6.353035
  N      -3.352248      0.192080      5.485224
  C      -4.034965     -0.021849      4.341444
  O      -4.238890      1.103171      3.755764
  C      -4.527480     -1.298082      3.849737
  C      -5.189445     -1.357880      2.610878
  C      -5.658908     -2.582036      2.146954
  C      -5.478118     -3.745141      2.901528
  C      -4.821651     -3.670964      4.134035
  Br     -4.583214     -5.247375      5.166937
  C      -4.345220     -2.459531      4.620585
  C      -4.703008      4.630798      4.308294
  N      -4.994645      5.888527      4.403333
  C      -6.299502      6.274838      4.071199
  O      -6.833027      5.977103      3.005441
  C      -6.995213      7.098442      5.108771
  C      -8.275755      7.600393      4.838945
  C      -8.966626      8.307589      5.819919
  C      -8.402879      8.508665      7.084273
  C      -7.130480      7.997474      7.340198
  Br     -6.347408      8.243394      9.066591
  C      -6.414607      7.307767      6.368173
  C      -5.897156      2.137723      6.310432
  N      -6.923109      2.661986      6.919691
  C      -8.146206      2.003017      6.738786
  O      -8.247662      0.792170      6.522921
  C      -9.343573      2.888322      6.867235
  C      -9.228530      4.263067      7.122792
  C     -10.374243      5.052449      7.212521
  C     -11.640894      4.486870      7.052254
  C     -11.740283      3.116405      6.798765
  Br    -13.468938      2.336107      6.577173
  C     -10.612668      2.310926      6.703890
  H      -1.955083     -1.013459      6.674661
  H      -5.329240     -0.445724      2.031429
  H      -6.176642     -2.641447      1.189224
  H      -5.849463     -4.703353      2.538418
  H      -3.859684     -2.414561      5.595024
  H      -5.478863      3.876373      4.112432
  H      -8.713876      7.418284      3.857625
  H      -9.961502      8.703491      5.610676
  H      -8.945221      9.053274      7.857010
  H      -5.414990      6.928873      6.573128
  H      -6.026405      1.310716      5.597710
  H      -8.240347      4.702574      7.251434
  H     -10.285179      6.121496      7.409094
  H     -12.539435      5.099623      7.123132
  H     -10.688497      1.242181      6.505718
  N      -1.594384      2.104615      4.077504
  N      -0.711066      2.057811      3.147205
  H      -0.743803      2.735449      2.381106
  H      -0.134227      1.222375      3.030338
75
Coordinates from ORCA-job orca E -13838.841655107264
  N      -1.912100      1.142730      6.697864
  Mo     -2.979928      2.272975      5.219705
  N      -4.632592      2.579396      6.482899
  C      -4.455993      3.665944      7.453521
  C      -3.015100      3.674199      7.913432
  N      -2.077250      3.683025      6.734016
  C      -0.733667      3.156957      7.134362
  C      -0.847126      1.669196      7.516565
  C      -1.993908      5.074205      6.149318
  C      -2.332201      5.049964      4.659429
  N      -3.451033      4.128619      4.461681
  H       0.107235      1.151905      7.333729
  H      -1.094699      1.540089      8.581292
  H      -0.072185      3.276220      6.266967
  H      -0.329905      3.750556      7.969034
  H      -2.599667      6.059723      4.315531
  H      -1.470408      4.691049      4.077766
  H      -2.730906      5.695233      6.673452
  H      -0.996492      5.493959      6.340029
  H      -5.122463      3.522451      8.316209
  H      -4.744096      4.628924      6.997258
  H      -2.822872      2.764959      8.494035
  H      -2.792008      4.543649      8.550246
  C      -2.337744     -0.039292      6.348673
  N      -3.349239      0.189557      5.482769
  C      -4.034647     -0.021370      4.340330
  O      -4.240119      1.104859      3.757446
  C      -4.528646     -1.296552      3.847321
  C      -5.197816     -1.353252      2.612195
  C      -5.668621     -2.576526      2.147266
  C      -5.481671     -3.741854      2.896953
  C      -4.817719     -3.670781      4.125610
  Br     -4.570055     -5.250359      5.151587
  C      -4.340180     -2.460247      4.613250
  C      -4.705373      4.629346      4.316594
  N      -4.999683      5.886363      4.411034
  C      -6.304738      6.269848      4.077935
  O      -6.839015      5.963587      3.014594
  C      -7.000292      7.100825      5.108912
  C      -8.278592      7.604927      4.832221
  C      -8.969770      8.321059      5.806349
  C      -8.408825      8.528696      7.070900
  C      -7.138906      8.014827      7.333925
  Br     -6.361078      8.267197      9.061820
  C      -6.422537      7.316351      6.368401
  C      -5.894905      2.131488      6.316463
  N      -6.920212      2.652754      6.928760
  C      -8.143824      1.995423      6.747697
  O      -8.246130      0.783820      6.536602
  C      -9.340192      2.883174      6.869724
  C      -9.222697      4.259824      7.113863
  C     -10.366985      5.051910      7.198229
  C     -11.634684      4.486680      7.045186
  C     -11.736445      3.114319      6.803336
  Br    -13.466723      2.334600      6.592382
  C     -10.610167      2.306403      6.712734
  H      -1.948410     -1.015447      6.669369
  H      -5.342371     -0.439440      2.036540
  H      -6.192257     -2.633448      1.192595
  H      -5.853955     -4.699396      2.533014
  H      -3.848739     -2.417695      5.584854
  H      -5.479668      3.872927      4.121614
  H      -8.714740      7.417740      3.850994
  H      -9.962793      8.718872      5.591972
  H      -8.951272      9.080105      7.838699
  H      -5.424870      6.935410      6.579229
  H      -6.024333      1.307448      5.600354
  H      -8.233807      4.698833      7.238130
  H     -10.275802      6.122547      7.385141
  H     -12.532346      5.101019      7.113515
  H     -10.687990      1.236359      6.522648
  N      -1.595463      2.105119      4.076917
  N      -0.713255      2.056394      3.145999
  H      -0.744288      2.734273      2.380082
  H      -0.135927      1.221081      3.030503
75
Coordinates from ORCA-job orca E -13838.841659150785
  N      -1.914523      1.145015      6.699114
  Mo     -2.979758      2.274642      5.218768
  N      -4.633324      2.582119      6.480978
  C      -4.457054      3.669636      7.450621
  C      -3.016442      3.677572      7.911828
  N      -2.077892      3.685223      6.733053
  C      -0.734827      3.158694      7.134702
  C      -0.849689      1.671350      7.518090
  C      -1.993029      5.075966      6.147423
  C      -2.329617      5.050699      4.657187
  N      -3.448551      4.129606      4.458817
  H       0.104315      1.153080      7.336103
  H      -1.098080      1.543305      8.582728
  H      -0.072424      3.276911      6.267873
  H      -0.331359      3.752613      7.969312
  H      -2.596232      6.060393      4.312438
  H      -1.467430      4.691346      4.076412
  H      -2.730374      5.697840      6.670056
  H      -0.995694      5.495387      6.339172
  H      -5.124941      3.528250      8.312471
  H      -4.743446      4.632173      6.992171
  H      -2.824902      2.768673      8.493041
  H      -2.793655      4.547288      8.548429
  C      -2.340443     -0.037049      6.350134
  N      -3.351195      0.191476      5.483463
  C      -4.035257     -0.019588      4.340290
  O      -4.239126      1.106347      3.756239
  C      -4.530067     -1.294848      3.848127
  C      -5.199652     -1.352379      2.613321
  C      -5.671200     -2.575899      2.149749
  C      -5.484634     -3.740608      2.900476
  C      -4.820298     -3.668697      4.128866
  Br     -4.573405     -5.247265      5.156636
  C      -4.341980     -2.457938      4.615144
  C      -4.702631      4.630523      4.311845
  N      -4.995905      5.887726      4.406680
  C      -6.299853      6.273990      4.072966
  O      -6.832910      5.972202      3.007653
  C      -6.995240      7.101244      5.106779
  C      -8.272687      7.608358      4.831523
  C      -8.963892      8.320070      5.808889
  C      -8.403926      8.519933      7.075162
  C      -7.134939      8.003014      7.336674
  Br     -6.358674      8.244658      9.066734
  C      -6.418443      7.309101      6.367922
  C      -5.895369      2.133343      6.315060
  N      -6.921170      2.654270      6.926688
  C      -8.144272      1.995736      6.745852
  O      -8.245556      0.784305      6.533768
  C      -9.341966      2.881894      6.869055
  C      -9.226655      4.258666      7.113789
  C     -10.372221      5.048786      7.199209
  C     -11.639116      4.481521      7.046772
  C     -11.738678      3.109090      6.804646
  Br    -13.467749      2.326195      6.595532
  C     -10.611034      2.303159      6.712887
  H      -1.951686     -1.013161      6.671718
  H      -5.344008     -0.439105      2.036761
  H      -6.195229     -2.633486      1.195337
  H      -5.857634     -4.698288      2.537639
  H      -3.850311     -2.414538      5.586573
  H      -5.477004      3.874457      4.115775
  H      -8.708133      7.426790      3.848938
  H      -9.956193      8.720264      5.595622
  H      -8.946534      9.067783      7.845393
  H      -5.421645      6.925535      6.578004
  H      -6.024334      1.308243      5.600054
  H      -8.238475      4.699302      7.237960
  H     -10.282607      6.119507      7.386291
  H     -12.537766      5.094311      7.116065
  H     -10.687297      1.233051      6.522466
  N      -1.594116      2.104891      4.077612
  N      -0.710814      2.056707      3.147583
  H      -0.743019      2.733774      2.380953
  H      -0.134003      1.221075      3.031502
75
Coordinates from ORCA-job orca E -13838.841662521992
  N      -1.916085      1.145858      6.700766
  Mo     -2.979723      2.275851      5.219541
  N      -4.632757      2.583730      6.481769
  C      -4.456106      3.671799      7.450772
  C      -3.015650      3.679050      7.912239
  N      -2.077077      3.686092      6.733594
  C      -0.734235      3.158707      7.134935
  C      -0.850045      1.671502      7.518705
  C      -1.991304      5.076600      6.147657
  C      -2.327538      5.051249      4.657284
  N      -3.446331      4.130153      4.458953
  H       0.103319      1.152333      7.336070
  H      -1.097961      1.544305      8.583529
  H      -0.071916      3.276435      6.267999
  H      -0.329971      3.752256      7.969454
  H      -2.594035      6.061012      4.312709
  H      -1.465355      4.692314      4.076156
  H      -2.728606      5.698871      6.669889
  H      -0.993920      5.495632      6.339921
  H      -5.124529      3.531852      8.312354
  H      -4.740577      4.634165      6.990821
  H      -2.824797      2.770154      8.493560
  H      -2.792890      4.548695      8.548979
  C      -2.341781     -0.035932      6.351087
  N      -3.353346      0.192602      5.485296
  C      -4.036103     -0.018078      4.341179
  O      -4.238997      1.107882      3.756808
  C      -4.530902     -1.293170      3.848404
  C      -5.202972     -1.349381      2.614834
  C      -5.674700     -2.572507      2.150451
  C      -5.485862     -3.738161      2.899137
  C      -4.819131     -3.667572      4.126290
  Br     -4.569393     -5.247440      5.151389
  C      -4.340616     -2.457210      4.613350
  C      -4.700560      4.630788      4.310133
  N      -4.994127      5.887813      4.404378
  C      -6.297300      6.274610      4.068858
  O      -6.827735      5.976086      3.001248
  C      -6.994940      7.099078      5.103401
  C      -8.271967      7.606793      4.827171
  C      -8.965496      8.314961      5.805502
  C      -8.408347      8.510660      7.073668
  C      -7.139801      7.993127      7.336136
  Br     -6.367316      8.229214      9.068523
  C      -6.420976      7.302797      6.366487
  C      -5.895151      2.134790      6.316720
  N      -6.920631      2.656293      6.928398
  C      -8.143858      1.997843      6.747755
  O      -8.245399      0.786494      6.535205
  C      -9.341476      2.883795      6.871902
  C      -9.226051      4.260596      7.116160
  C     -10.371596      5.050889      7.200970
  C     -11.638502      4.483706      7.048222
  C     -11.738101      3.111102      6.807084
  Br    -13.467275      2.328189      6.598515
  C     -10.610565      2.305011      6.716022
  H      -1.952324     -1.012191      6.671438
  H      -5.348992     -0.435376      2.039868
  H      -6.200660     -2.629041      1.197048
  H      -5.859041     -4.695524      2.535683
  H      -3.846907     -2.414838      5.583760
  H      -5.474288      3.874246      4.113466
  H      -8.705457      7.428599      3.843122
  H      -9.957321      8.715851      5.591372
  H      -8.952602      9.055755      7.844705
  H      -5.424575      6.919046      6.577881
  H      -6.024167      1.308984      5.602534
  H      -8.237884      4.701429      7.240384
  H     -10.281745      6.121678      7.387434
  H     -12.537156      5.096638      7.116226
  H     -10.686757      1.234802      6.526127
  N      -1.593557      2.103066      4.079029
  N      -0.709700      2.053419      3.149437
  H      -0.742532      2.729091      2.381487
  H      -0.135156      1.216316      3.032227
75
Coordinates from ORCA-job orca E -13838.841664872849
  N      -1.917253      1.146553      6.701035
  Mo     -2.980458      2.276155      5.219501
  N      -4.633079      2.583261      6.482545
  C      -4.456690      3.671954      7.451009
  C      -3.016344      3.679724      7.912341
  N      -2.078067      3.686716      6.733554
  C      -0.735069      3.159238      7.134747
  C      -0.850838      1.672098      7.518670
  C      -1.991894      5.077019      6.147406
  C      -2.327492      5.051284      4.656881
  N      -3.446209      4.130208      4.458489
  H       0.102285      1.152657      7.335577
  H      -1.098387      1.544897      8.583573
  H      -0.072843      3.276893      6.267745
  H      -0.330642      3.752840      7.969151
  H      -2.593942      6.061015      4.312155
  H      -1.465331      4.692428      4.075678
  H      -2.729451      5.699515      6.669022
  H      -0.994581      5.495893      6.340323
  H      -5.125419      3.532769      8.312446
  H      -4.740860      4.633989      6.990173
  H      -2.824951      2.770850      8.493503
  H      -2.794045      4.549415      8.549192
  C      -2.342678     -0.035383      6.351394
  N      -3.354765      0.192525      5.486151
  C      -4.036583     -0.017671      4.341280
  O      -4.239098      1.108336      3.756911
  C      -4.531511     -1.292553      3.847987
  C      -5.203794     -1.348370      2.614550
  C      -5.675569     -2.571367      2.149841
  C      -5.486641     -3.737255      2.898093
  C      -4.819757     -3.667060      4.125202
  Br     -4.570121     -5.247160      5.149966
  C      -4.341118     -2.456875      4.612540
  C      -4.700620      4.630692      4.309798
  N      -4.993726      5.887912      4.404150
  C      -6.296728      6.275593      4.068643
  O      -6.827616      5.977348      3.001219
  C      -6.993468      7.100975      5.103262
  C      -8.269889      7.610379      4.827308
  C      -8.962371      8.319344      5.805842
  C      -8.404740      8.514224      7.073923
  C      -7.136808      7.995098      7.336136
  Br     -6.363919      8.229740      9.068442
  C      -6.419019      7.303964      6.366266
  C      -5.895309      2.133273      6.318610
  N      -6.920795      2.654375      6.930447
  C      -8.143674      1.994821      6.751567
  O      -8.244670      0.783006      6.541671
  C      -9.341714      2.880474      6.873895
  C      -9.226983      4.258108      7.113665
  C     -10.372874      5.048129      7.195764
  C     -11.639545      4.479880      7.044767
  C     -11.738489      3.106417      6.808363
  Br    -13.467223      2.321888      6.602332
  C     -10.610538      2.300544      6.720011
  H      -1.952815     -1.011478      6.671783
  H      -5.349941     -0.434238      2.039815
  H      -6.201657     -2.627610      1.196489
  H      -5.859873     -4.694493      2.534371
  H      -3.847155     -2.414712      5.582821
  H      -5.474543      3.874410      4.113132
  H      -8.703645      7.432817      3.843252
  H      -9.953676      8.721545      5.591768
  H      -8.948279      9.059936      7.845042
  H      -5.423096      6.919079      6.577698
  H      -6.024103      1.306606      5.605353
  H      -8.239037      4.699883      7.236538
  H     -10.283435      6.119578      7.378601
  H     -12.538461      5.092691      7.110295
  H     -10.686378      1.229652      6.533775
  N      -1.593706      2.102803      4.079753
  N      -0.709048      2.053657      3.150769
  H      -0.742628      2.728794      2.382347
  H      -0.134493      1.216591      3.033254
75
Coordinates from ORCA-job orca E -13838.841668098499
  N      -1.918763      1.147422      6.701326
  Mo     -2.981450      2.276658      5.219438
  N      -4.633141      2.583383      6.483467
  C      -4.456785      3.672760      7.451290
  C      -3.016520      3.681029      7.912201
  N      -2.078632      3.687651      6.733186
  C      -0.735620      3.159786      7.134075
  C      -0.851562      1.672729      7.518241
  C      -1.992051      5.077635      6.146677
  C      -2.327157      5.051406      4.656017
  N      -3.445903      4.130422      4.457801
  H       0.101202      1.152863      7.334550
  H      -1.098439      1.545721      8.583326
  H      -0.073741      3.277152      6.266773
  H      -0.330716      3.753404      7.968228
  H      -2.593585      6.061050      4.310979
  H      -1.465117      4.692276      4.074818
  H      -2.729792      5.700445      6.667677
  H      -0.994757      5.496329      6.340105
  H      -5.125378      3.533921      8.312901
  H      -4.741083      4.634503      6.990008
  H      -2.824648      2.772261      8.493427
  H      -2.794434      4.550910      8.548860
  C      -2.343834     -0.034629      6.351780
  N      -3.356836      0.192464      5.487348
  C      -4.037279     -0.017244      4.341393
  O      -4.239324      1.108699      3.756825
  C      -4.532140     -1.291848      3.847299
  C      -5.204333     -1.346881      2.613776
  C      -5.676062     -2.569574      2.148209
  C      -5.487166     -3.735946      2.895679
  C      -4.820364     -3.666543      4.122903
  Br     -4.570802     -5.247331      5.146600
  C      -4.341765     -2.456694      4.611077
  C      -4.700566      4.630943      4.309910
  N      -4.993523      5.888214      4.404491
  C      -6.296926      6.275562      4.069651
  O      -6.828693      5.976783      3.002927
  C      -6.993249      7.101757      5.104187
  C      -8.269681      7.611227      4.828599
  C      -8.961515      8.321113      5.806961
  C      -8.403191      8.516924      7.074570
  C      -7.135202      7.997780      7.336477
  Br     -6.361340      8.233455      9.068152
  C      -6.418082      7.305750      6.366751
  C      -5.895287      2.132337      6.320934
  N      -6.920661      2.653363      6.932950
  C      -8.143190      1.992702      6.756049
  O      -8.243480      0.780213      6.549675
  C      -9.341477      2.878198      6.875970
  C      -9.227204      4.256691      7.110802
  C     -10.373344      5.046653      7.189828
  C     -11.639820      4.477500      7.040555
  C     -11.738342      3.103142      6.809209
  Br    -13.466773      2.317362      6.605455
  C     -10.610148      2.297247      6.724052
  H      -1.953199     -1.010482      6.671990
  H      -5.350467     -0.432375      2.039633
  H      -6.202061     -2.625193      1.194771
  H      -5.860298     -4.692952      2.531245
  H      -3.847652     -2.415162      5.581314
  H      -5.474728      3.874846      4.113654
  H      -8.703952      7.433034      3.844872
  H      -9.952812      8.723414      5.593023
  H      -8.946215      9.063336      7.845556
  H      -5.422038      6.921134      6.578086
  H      -6.023899      1.304801      5.608647
  H      -8.239433      4.699290      7.232205
  H     -10.284206      6.118765      7.368933
  H     -12.538942      5.090294      7.103291
  H     -10.685662      1.225636      6.541864
  N      -1.593769      2.101337      4.080955
  N      -0.707896      2.049621      3.153263
  H      -0.739333      2.723755      2.383870
  H      -0.133651      1.212031      3.037975
75
Coordinates from ORCA-job orca E -13838.841671175702
  N      -1.921134      1.148683      6.701525
  Mo     -2.982880      2.277131      5.218697
  N      -4.633668      2.583970      6.483644
  C      -4.457548      3.674410      7.450411
  C      -3.017349      3.683440      7.911052
  N      -2.079600      3.689047      6.731914
  C      -0.736828      3.160665      7.133050
  C      -0.853424      1.673880      7.517960
  C      -1.992324      5.078538      6.144640
  C      -2.327029      5.051544      4.653886
  N      -3.445923      4.130689      4.455895
  H       0.099001      1.153362      7.334363
  H      -1.100032      1.547392      8.583180
  H      -0.075116      3.277209      6.265497
  H      -0.331588      3.754622      7.966784
  H      -2.593428      6.060988      4.308217
  H      -1.465102      4.691693      4.073007
  H      -2.729931      5.702067      6.664978
  H      -0.994859      5.496801      6.338142
  H      -5.125885      3.535773      8.312302
  H      -4.742647      4.635709      6.988764
  H      -2.825084      2.775134      8.492929
  H      -2.795334      4.553906      8.546919
  C      -2.345896     -0.033586      6.352471
  N      -3.359467      0.192416      5.488328
  C      -4.038052     -0.016939      4.341097
  O      -4.239198      1.108868      3.756102
  C      -4.532708     -1.291318      3.846217
  C      -5.203014     -1.346075      2.611661
  C      -5.674565     -2.568563      2.145359
  C      -5.487322     -3.735022      2.893097
  C      -4.822333     -3.665904      4.121342
  Br     -4.574925     -5.246861      5.145280
  C      -4.343959     -2.456276      4.610259
  C      -4.700762      4.631465      4.309664
  N      -4.993495      5.888794      4.405146
  C      -6.298048      6.274923      4.072536
  O      -6.832516      5.973777      3.007971
  C      -6.992535      7.102779      5.107199
  C      -8.270317      7.609999      4.834062
  C      -8.960201      8.321533      5.812620
  C      -8.398477      8.521347      7.078077
  C      -7.129006      8.004582      7.337556
  Br     -6.350114      8.245985      9.066198
  C      -6.413908      7.310893      6.367569
  C      -5.895515      2.131557      6.322618
  N      -6.921029      2.652718      6.934252
  C      -8.142987      1.990407      6.759643
  O      -8.241965      0.777078      6.557566
  C      -9.341905      2.875352      6.876509
  C      -9.228764      4.254757      7.106426
  C     -10.375562      5.044049      7.182560
  C     -11.641555      4.473334      7.035243
  C     -11.738989      3.098090      6.808724
  Br    -13.466714      2.310227      6.607258
  C     -10.610145      2.292796      6.726564
  H      -1.954867     -1.009088      6.673300
  H      -5.347898     -0.431484      2.037341
  H      -6.199106     -2.623947      1.191098
  H      -5.860263     -4.691873      2.528060
  H      -3.851173     -2.415005      5.581199
  H      -5.475455      3.875803      4.113907
  H      -8.707176      7.428674      3.852042
  H      -9.952620      8.722038      5.600506
  H      -8.939966      9.069068      7.849211
  H      -5.416646      6.928271      6.576861
  H      -6.023762      1.302743      5.611752
  H      -8.241361      4.698586      7.226227
  H     -10.287352      6.116846      7.358054
  H     -12.541211      5.085582      7.095693
  H     -10.684744      1.220469      6.548307
  N      -1.593579      2.099567      4.082470
  N      -0.705597      2.043717      3.157160
  H      -0.732588      2.716615      2.386580
  H      -0.130861      1.205817      3.046872
75
Coordinates from ORCA-job orca E -13838.841674367415
  N      -1.924240      1.149979      6.701657
  Mo     -2.984477      2.277591      5.217330
  N      -4.634826      2.585233      6.482583
  C      -4.459066      3.676609      7.448357
  C      -3.018907      3.686255      7.909132
  N      -2.080860      3.690443      6.730126
  C      -0.738604      3.161468      7.132075
  C      -0.856404      1.675083      7.518005
  C      -1.992685      5.079452      6.141974
  C      -2.326928      5.051680      4.651129
  N      -3.446111      4.131092      4.453166
  H       0.095737      1.153732      7.335245
  H      -1.103376      1.549414      8.583247
  H      -0.076670      3.276842      6.264520
  H      -0.333255      3.755885      7.965413
  H      -2.592976      6.060913      4.304610
  H      -1.464955      4.690766      4.071016
  H      -2.729945      5.703843      6.661765
  H      -0.994936      5.497190      6.335186
  H      -5.127205      3.538024      8.310461
  H      -4.745064      4.637515      6.986461
  H      -2.826714      2.778680      8.492167
  H      -2.796784      4.557531      8.543837
  C      -2.348854     -0.032422      6.353119
  N      -3.362484      0.192750      5.488660
  C      -4.038878     -0.016769      4.340090
  O      -4.239048      1.108693      3.754170
  C      -4.532754     -1.291317      3.844883
  C      -5.199530     -1.346912      2.608450
  C      -5.670320     -2.569613      2.141937
  C      -5.485752     -3.735476      2.891286
  C      -4.824203     -3.665526      4.121344
  Br     -4.580263     -5.245726      5.147273
  C      -4.346706     -2.455657      4.610527
  C      -4.700875      4.632360      4.308392
  N      -4.993364      5.889720      4.405126
  C      -6.299266      6.274407      4.075485
  O      -6.837021      5.970445      3.013437
  C      -6.991190      7.103616      5.110760
  C      -8.271482      7.606592      4.841750
  C      -8.958948      8.319167      5.821253
  C      -8.392155      8.524406      7.083566
  C      -7.120015      8.012100      7.338849
  Br     -6.333533      8.261821      9.062945
  C      -6.407454      7.317241      6.367887
  C      -5.896341      2.131694      6.322495
  N      -6.922184      2.653170      6.933343
  C      -8.143639      1.989510      6.760231
  O      -8.241398      0.775623      6.560906
  C      -9.343290      2.873667      6.875331
  C      -9.231442      4.253537      7.103131
  C     -10.379031      5.041787      7.178432
  C     -11.644476      4.469572      7.032439
  C     -11.740632      3.093918      6.807818
  Br    -13.467607      2.304052      6.607977
  C     -10.611010      2.289657      6.726507
  H      -1.958004     -1.007674      6.674938
  H      -5.342340     -0.432755      2.032918
  H      -6.192139     -2.625635      1.186220
  H      -5.858086     -4.692501      2.526078
  H      -3.856772     -2.413745      5.582896
  H      -5.476129      3.877156      4.112963
  H      -8.712216      7.421000      3.862260
  H      -9.953439      8.716251      5.612399
  H      -8.931721      9.072991      7.855420
  H      -5.408114      6.938011      6.573536
  H      -6.024185      1.301747      5.612874
  H      -8.244418      4.698441      7.221956
  H     -10.291958      6.114927      7.352420
  H     -12.544757      5.080932      7.092601
  H     -10.684484      1.216996      6.549861
  N      -1.593131      2.097978      4.083953
  N      -0.702471      2.037715      3.161682
  H      -0.723894      2.709638      2.390159
  H      -0.127232      1.199449      3.057173
75
Coordinates from ORCA-job orca E -13838.841676947155
  N      -1.927480      1.151006      6.701889
  Mo     -2.985934      2.277925      5.215767
  N      -4.636322      2.586545      6.480888
  C      -4.461079      3.678607      7.445889
  C      -3.020954      3.688709      7.907135
  N      -2.082317      3.691477      6.728453
  C      -0.740677      3.162006      7.131511
  C      -0.859857      1.676037      7.518483
  C      -1.993256      5.080121      6.139538
  C      -2.326931      5.051701      4.648590
  N      -3.446407      4.131420      4.450446
  H       0.092086      1.153860      7.336982
  H      -1.107671      1.551302      8.583644
  H      -0.078179      3.276212      6.264221
  H      -0.335444      3.756863      7.964587
  H      -2.592364      6.060769      4.301189
  H      -1.464738      4.689718      4.069489
  H      -2.730151      5.705245      6.658942
  H      -0.995228      5.497409      6.332320
  H      -5.129176      3.540069      8.308060
  H      -4.747714      4.639208      6.983705
  H      -2.829161      2.781958      8.491526
  H      -2.798704      4.560820      8.540638
  C      -2.352119     -0.031383      6.353708
  N      -3.365334      0.193409      5.488478
  C      -4.039526     -0.016539      4.338716
  O      -4.238547      1.108648      3.751945
  C      -4.532380     -1.291449      3.843388
  C      -5.194812     -1.348417      2.604674
  C      -5.664582     -2.571525      2.138217
  C      -5.483240     -3.736455      2.889844
  C      -4.825965     -3.665136      4.122092
  Br     -4.586258     -5.244084      5.150952
  C      -4.349633     -2.454798      4.611297
  C      -4.700967      4.633124      4.306486
  N      -4.993306      5.890477      4.404285
  C      -6.300442      6.273811      4.077480
  O      -6.841268      5.967021      3.017775
  C      -6.989590      7.104151      5.113473
  C      -8.273263      7.601220      4.849565
  C      -8.958286      8.314293      5.830395
  C      -8.385480      8.526174      7.088902
  C      -7.109800      8.020118      7.338926
  Br     -6.314344      8.280329      9.057431
  C      -6.399833      7.324509      6.366639
  C      -5.897488      2.132185      6.321067
  N      -6.923762      2.653986      6.930984
  C      -8.144862      1.989517      6.758278
  O      -8.241853      0.775509      6.559310
  C      -9.345160      2.872835      6.873494
  C      -9.234363      4.252660      7.102202
  C     -10.382614      5.039868      7.178647
  C     -11.647627      4.466655      7.033017
  C     -11.742718      3.091100      6.807281
  Br    -13.469123      2.299912      6.607888
  C     -10.612435      2.287931      6.724739
  H      -1.961933     -1.006539      6.676642
  H      -5.335083     -0.434973      2.027385
  H      -6.183054     -2.628612      1.180743
  H      -5.854808     -4.693804      2.524696
  H      -3.863400     -2.411770      5.585480
  H      -5.476575      3.878217      4.111074
  H      -8.718587      7.410448      3.873157
  H      -9.955548      8.706569      5.625667
  H      -8.923093      9.075236      7.861769
  H      -5.397818      6.949867      6.567726
  H      -6.024914      1.301378      5.612366
  H      -8.247609      4.698188      7.220862
  H     -10.296504      6.112979      7.353323
  H     -12.548408      5.077141      7.094533
  H     -10.684948      1.215362      6.547178
  N      -1.592368      2.096831      4.085461
  N      -0.698644      2.032866      3.166531
  H      -0.714689      2.704106      2.394346
  H      -0.123257      1.194098      3.067161
75
Coordinates from ORCA-job orca E -13838.841679499763
  N      -1.930721      1.151788      6.702038
  Mo     -2.987447      2.278188      5.214101
  N      -4.638221      2.587532      6.478838
  C      -4.463639      3.679919      7.443464
  C      -3.023570      3.690440      7.905312
  N      -2.084277      3.692164      6.727052
  C      -0.743154      3.162452      7.131191
  C      -0.863428      1.676792      7.518968
  C      -1.994559      5.080578      6.137615
  C      -2.327278      5.051564      4.646477
  N      -3.446978      4.131623      4.447932
  H       0.088407      1.153996      7.338641
  H      -1.112168      1.552882      8.584008
  H      -0.079948      3.275823      6.264329
  H      -0.338181      3.757614      7.964182
  H      -2.591822      6.060533      4.298177
  H      -1.464687      4.688630      4.068565
  H      -2.731446      5.706070      6.656561
  H      -0.996453      5.497747      6.330280
  H      -5.131804      3.541350      8.305571
  H      -4.750549      4.640330      6.980980
  H      -2.832222      2.784424      8.490917
  H      -2.801381      4.563242      8.537883
  C      -2.355420     -0.030482      6.353978
  N      -3.368111      0.194299      5.487903
  C      -4.040111     -0.016520      4.336969
  O      -4.238353      1.108240      3.749117
  C      -4.531445     -1.292090      3.841818
  C      -5.189317     -1.350973      2.600752
  C      -5.657548     -2.574771      2.134587
  C      -5.479130     -3.738508      2.888796
  C      -4.826386     -3.665278      4.123312
  Br     -4.590553     -5.242587      5.155584
  C      -4.351736     -2.454174      4.612311
  C      -4.701310      4.633651      4.304247
  N      -4.993542      5.890970      4.402827
  C      -6.301714      6.273296      4.078713
  O      -6.845374      5.963966      3.021110
  C      -6.987959      7.104729      5.115448
  C      -8.275416      7.595098      4.857203
  C      -8.957845      8.308625      5.839484
  C      -8.378425      8.528010      7.093684
  C      -7.098844      8.029045      7.337867
  Br     -6.293697      8.301033      9.050077
  C      -6.391643      7.332606      6.364169
  C      -5.899111      2.132697      6.318588
  N      -6.925850      2.654613      6.927715
  C      -8.146776      1.990028      6.754194
  O      -8.243595      0.776348      6.553081
  C      -9.347469      2.872641      6.871368
  C      -9.237223      4.251869      7.103991
  C     -10.385825      5.038310      7.183177
  C     -11.650621      4.464921      7.036477
  C     -11.745136      3.089992      6.806669
  Br    -13.471283      2.298584      6.605933
  C     -10.614492      2.287650      6.721298
  H      -1.966021     -1.005671      6.677778
  H      -5.327264     -0.438460      2.021426
  H      -6.172497     -2.633355      1.175305
  H      -5.849523     -4.696401      2.523876
  H      -3.869468     -2.409541      5.588392
  H      -5.477066      3.878835      4.108865
  H      -8.725760      7.398612      3.884249
  H      -9.958185      8.695412      5.639364
  H      -8.913955      9.077545      7.867656
  H      -5.386724      6.963123      6.560286
  H      -6.026097      1.301545      5.610198
  H      -8.250577      4.697372      7.223612
  H     -10.300249      6.110976      7.360814
  H     -12.551635      5.074798      7.100507
  H     -10.686475      1.215588      6.540505
  N      -1.591629      2.095981      4.086874
  N      -0.694524      2.029068      3.171493
  H      -0.705630      2.699886      2.398889
  H      -0.119817      1.189396      3.075950
75
Coordinates from ORCA-job orca E -13838.841682383925
  N      -1.934093      1.152582      6.702275
  Mo     -2.989044      2.278471      5.212250
  N      -4.640463      2.588110      6.476636
  C      -4.466822      3.680710      7.441060
  C      -3.026856      3.691830      7.903598
  N      -2.086907      3.692801      6.725814
  C      -0.746197      3.163127      7.131057
  C      -0.867220      1.677688      7.519557
  C      -1.996755      5.081038      6.135942
  C      -2.327886      5.051234      4.644481
  N      -3.447715      4.131616      4.445383
  H       0.084582      1.154467      7.340284
  H      -1.116862      1.554557      8.584472
  H      -0.082159      3.275930      6.264760
  H      -0.341644      3.758550      7.964077
  H      -2.591272      6.060101      4.295054
  H      -1.464704      4.687347      4.068049
  H      -2.734194      5.706548      6.654055
  H      -0.998858      5.498518      6.329043
  H      -5.135172      3.542112      8.302993
  H      -4.753817      4.640946      6.978147
  H      -2.835801      2.786495      8.490292
  H      -2.805004      4.565245      8.535445
  C      -2.358988     -0.029509      6.354338
  N      -3.370914      0.195523      5.487206
  C      -4.040557     -0.016404      4.335074
  O      -4.237788      1.107982      3.746233
  C      -4.530296     -1.292656      3.840085
  C      -5.183173     -1.353538      2.596474
  C      -5.649793     -2.578042      2.130571
  C      -5.474679     -3.740509      2.887537
  C      -4.826925     -3.665285      4.124530
  Br     -4.595528     -5.240808      5.160531
  C      -4.354015     -2.453403      4.613350
  C      -4.701917      4.633811      4.301671
  N      -4.993977      5.891101      4.400537
  C      -6.303142      6.272629      4.079126
  O      -6.849704      5.960774      3.023683
  C      -6.986153      7.105394      5.116621
  C      -8.278192      7.587398      4.865204
  C      -8.957629      8.301547      5.849071
  C      -8.370312      8.530426      7.097907
  C      -7.086028      8.040314      7.335072
  Br     -6.269460      8.326955      9.039475
  C      -6.382035      7.342757      6.359838
  C      -5.900979      2.132821      6.315495
  N      -6.928319      2.654467      6.923981
  C      -8.149087      1.990118      6.748581
  O      -8.246087      0.777173      6.543054
  C      -9.350043      2.872028      6.869336
  C      -9.239994      4.250200      7.108287
  C     -10.388700      5.036078      7.191372
  C     -11.653440      4.463179      7.042280
  C     -11.747739      3.089322      6.806031
  Br    -13.473832      2.298628      6.601971
  C     -10.616961      2.287600      6.716714
  H      -1.970554     -1.004776      6.679081
  H      -5.318514     -0.442041      2.014932
  H      -6.160874     -2.638198      1.169321
  H      -5.843837     -4.698951      2.522808
  H      -3.876076     -2.407045      5.591472
  H      -5.477705      3.878955      4.106414
  H      -8.734502      7.383748      3.896524
  H      -9.961699      8.681437      5.654496
  H      -8.903422      9.080641      7.873065
  H      -5.373640      6.979734      6.550117
  H      -6.027366      1.301634      5.607018
  H      -8.253330      4.695152      7.229781
  H     -10.303331      6.107954      7.373844
  H     -12.554475      5.072678      7.109503
  H     -10.688762      1.216406      6.530786
  N      -1.590613      2.095135      4.088581
  N      -0.689094      2.025471      3.177694
  H      -0.694963      2.695801      2.404627
  H      -0.115877      1.184398      3.085542
75
Coordinates from ORCA-job orca E -13838.841685906797
  N      -1.937427      1.153546      6.702324
  Mo     -2.990771      2.278924      5.210131
  N      -4.642975      2.588501      6.474277
  C      -4.470394      3.681129      7.438761
  C      -3.030593      3.692980      7.901890
  N      -2.090153      3.693614      6.724556
  C      -0.749651      3.164283      7.130714
  C      -0.870841      1.678913      7.519738
  C      -1.999925      5.081692      6.134329
  C      -2.328678      5.050777      4.642377
  N      -3.448575      4.131488      4.442618
  H       0.080992      1.155582      7.340994
  H      -1.120958      1.556353      8.584599
  H      -0.084869      3.276900      6.264968
  H      -0.345586      3.759889      7.963857
  H      -2.590673      6.059518      4.291544
  H      -1.464757      4.685902      4.067686
  H      -2.738759      5.706764      6.650974
  H      -1.002677      5.500107      6.328772
  H      -5.138983      3.542415      8.300451
  H      -4.757334      4.641238      6.975439
  H      -2.839557      2.788128      8.489315
  H      -2.809351      4.566818      8.533376
  C      -2.362657     -0.028370      6.354641
  N      -3.373828      0.197088      5.486493
  C      -4.041143     -0.016473      4.333149
  O      -4.237683      1.107262      3.742842
  C      -4.529034     -1.293571      3.838611
  C      -5.177202     -1.356681      2.592650
  C      -5.641994     -2.582041      2.127173
  C      -5.469685     -3.743144      2.886867
  C      -4.826654     -3.665697      4.126175
  Br     -4.599053     -5.239299      5.165916
  C      -4.355672     -2.452911      4.614642
  C      -4.702748      4.633890      4.298802
  N      -4.994356      5.891192      4.397544
  C      -6.304341      6.272503      4.078870
  O      -6.853673      5.959082      3.025309
  C      -6.984147      7.106315      5.117446
  C      -8.280628      7.580136      4.873159
  C      -8.956909      8.294883      5.858743
  C      -8.361621      8.533115      7.102043
  C      -7.072795      8.051617      7.331953
  Br     -6.244922      8.352233      9.028433
  C      -6.372193      7.352921      6.355065
  C      -5.903135      2.132877      6.311878
  N      -6.931150      2.653722      6.920096
  C      -8.151767      1.989971      6.741824
  O      -8.249194      0.778091      6.530131
  C      -9.352816      2.871242      6.867280
  C      -9.242640      4.247928      7.114560
  C     -10.391204      5.033466      7.202279
  C     -11.656021      4.461713      7.049373
  C     -11.750448      3.089347      6.804669
  Br    -13.476654      2.300267      6.595185
  C     -10.619769      2.287973      6.710811
  H      -1.975111     -1.003724      6.680176
  H      -5.310351     -0.446278      2.008887
  H      -6.149411     -2.643952      1.164095
  H      -5.837400     -4.702248      2.522419
  H      -3.881725     -2.404625      5.594604
  H      -5.478613      3.878975      4.104083
  H      -8.742930      7.369543      3.908820
  H      -9.964615      8.667978      5.669922
  H      -8.892162      9.084016      7.878479
  H      -5.360463      6.996203      6.539503
  H      -6.028826      1.302207      5.602647
  H      -8.255861      4.691830      7.238894
  H     -10.305727      6.104205      7.391287
  H     -12.556890      5.071054      7.120139
  H     -10.691747      1.217946      6.518351
  N      -1.589595      2.094210      4.090205
  N      -0.682824      2.022031      3.184629
  H      -0.683264      2.691810      2.411055
  H      -0.112134      1.178943      3.095073
75
Coordinates from ORCA-job orca E -13838.841689211709
  N      -1.939264      1.154461      6.702340
  Mo     -2.991623      2.279531      5.208534
  N      -4.644302      2.588962      6.472904
  C      -4.472420      3.681563      7.437502
  C      -3.032786      3.693886      7.900830
  N      -2.092294      3.694524      6.723666
  C      -0.751778      3.165577      7.130185
  C      -0.872653      1.680142      7.519517
  C      -2.002356      5.082454      6.133158
  C      -2.328843      5.050423      4.640742
  N      -3.448769      4.131319      4.440595
  H       0.079216      1.156974      7.340552
  H      -1.122528      1.557852      8.584459
  H      -0.086667      3.278280      6.264707
  H      -0.347992      3.761250      7.963425
  H      -2.589787      6.059008      4.288647
  H      -1.464356      4.684794      4.067401
  H      -2.742985      5.706828      6.648091
  H      -1.006001      5.502138      6.329452
  H      -5.141218      3.542821      8.299004
  H      -4.759212      4.641602      6.973896
  H      -2.841540      2.789137      8.488376
  H      -2.812021      4.567814      8.532368
  C      -2.365190     -0.027339      6.355291
  N      -3.375596      0.198669      5.486280
  C      -4.041670     -0.016187      4.332383
  O      -4.237418      1.107147      3.741082
  C      -4.528876     -1.293635      3.838192
  C      -5.174765     -1.357702      2.591104
  C      -5.638956     -2.583378      2.125841
  C      -5.468301     -3.743835      2.886865
  C      -4.827560     -3.665438      4.127310
  Br     -4.602233     -5.238126      5.168908
  C      -4.357204     -2.452339      4.615586
  C      -4.703052      4.633974      4.296582
  N      -4.993960      5.891358      4.394535
  C      -6.304129      6.273317      4.077098
  O      -6.854421      5.960729      3.023869
  C      -6.982591      7.106837      5.116843
  C      -8.281386      7.576330      4.876569
  C      -8.956208      8.290698      5.863428
  C      -8.356905      8.533222      7.103947
  C      -7.065693      8.056241      7.329841
  Br     -6.232267      8.362809      9.022455
  C      -6.366699      7.357641      6.351709
  C      -5.904173      2.133058      6.309677
  N      -6.932693      2.652783      6.918191
  C      -8.153079      1.989379      6.737483
  O      -8.250695      0.778370      6.520768
  C      -9.354198      2.870100      6.866630
  C      -9.243891      4.245677      7.119851
  C     -10.392295      5.031045      7.210732
  C     -11.657185      4.460222      7.054794
  C     -11.751760      3.088966      6.804055
  Br    -13.478041      2.301242      6.589905
  C     -10.621211      2.287718      6.707248
  H      -1.978377     -1.002743      6.681523
  H      -5.306651     -0.447823      2.006241
  H      -6.144584     -2.646042      1.161872
  H      -5.835516     -4.703173      2.522536
  H      -3.885061     -2.403202      5.596370
  H      -5.479055      3.879077      4.102495
  H      -8.746703      7.362646      3.914356
  H      -9.965847      8.660148      5.677818
  H      -8.886201      9.083972      7.881343
  H      -5.353245      7.004280      6.533134
  H      -6.029318      1.303098      5.599506
  H      -8.257011      4.688783      7.246211
  H     -10.306650      6.100916      7.404564
  H     -12.557917      5.069522      7.127667
  H     -10.693424      1.218543      6.510200
  N      -1.588429      2.093518      4.091371
  N      -0.676977      2.019907      3.190470
  H      -0.673515      2.689032      2.416308
  H      -0.108919      1.174879      3.102176
75
Coordinates from ORCA-job orca E -13838.841692472264
  N      -1.939534      1.155072      6.701926
  Mo     -2.991730      2.280111      5.207368
  N      -4.644385      2.589288      6.472540
  C      -4.472768      3.681749      7.437346
  C      -3.033239      3.694276      7.900352
  N      -2.093163      3.695292      6.723005
  C      -0.752427      3.166657      7.129264
  C      -0.872678      1.681078      7.518653
  C      -2.003821      5.083127      6.132374
  C      -2.328936      5.050413      4.639665
  N      -3.448774      4.131196      4.439423
  H       0.079241      1.158294      7.338881
  H      -1.121738      1.558690      8.583768
  H      -0.087497      3.279615      6.263685
  H      -0.348637      3.762306      7.962521
  H      -2.589661      6.058861      4.286970
  H      -1.464223      4.684663      4.066773
  H      -2.746045      5.706761      6.645945
  H      -1.008315      5.504008      6.330398
  H      -5.141600      3.542864      8.298799
  H      -4.759568      4.641786      6.973782
  H      -2.841554      2.789249      8.487379
  H      -2.812673      4.567966      8.532301
  C      -2.366367     -0.026718      6.355847
  N      -3.376015      0.199859      5.486085
  C      -4.042251     -0.016036      4.332407
  O      -4.237837      1.106931      3.740234
  C      -4.529634     -1.293552      3.838747
  C      -5.176212     -1.357620      2.592022
  C      -5.640732     -2.583286      2.127026
  C      -5.469726     -3.743716      2.887966
  C      -4.828298     -3.665320      4.128089
  Br     -4.602548     -5.237997      5.169592
  C      -4.357575     -2.452276      4.616079
  C      -4.703265      4.634040      4.295401
  N      -4.993545      5.891522      4.392636
  C      -6.303611      6.274341      4.075584
  O      -6.853912      5.963637      3.021948
  C      -6.981997      7.107004      5.116326
  C      -8.281030      7.576170      4.877081
  C      -8.955497      8.290055      5.864562
  C      -8.355500      8.532497      7.104725
  C      -7.064024      8.055739      7.329714
  Br     -6.229781      8.361500      9.022006
  C      -6.365450      7.357601      6.350947
  C      -5.904151      2.133309      6.308900
  N      -6.932951      2.652046      6.917928
  C      -8.153122      1.988718      6.735627
  O      -8.250611      0.778151      6.516272
  C      -9.354303      2.869103      6.866373
  C      -9.244043      4.244164      7.122262
  C     -10.392387      5.029467      7.214181
  C     -11.657247      4.459077      7.056315
  C     -11.751808      3.088334      6.802833
  Br    -13.478027      2.301275      6.585539
  C     -10.621321      2.287061      6.705271
  H      -1.980231     -1.002157      6.682711
  H      -5.308414     -0.447750      2.007223
  H      -6.146875     -2.645945      1.163325
  H      -5.837149     -4.703038      2.523807
  H      -3.884639     -2.403153      5.596481
  H      -5.479438      3.879218      4.101963
  H      -8.746860      7.362701      3.915057
  H      -9.965383      8.659189      5.679696
  H      -8.884398      9.082957      7.882599
  H      -5.351810      7.004562      6.531970
  H      -6.028976      1.304064      5.597836
  H      -8.257148      4.686918      7.249739
  H     -10.306701      6.098902      7.410400
  H     -12.557972      5.068347      7.129586
  H     -10.693646      1.218237      6.506366
  N      -1.587346      2.093484      4.091820
  N      -0.671979      2.019789      3.194754
  H      -0.666134      2.688365      2.420093
  H      -0.106275      1.173141      3.106501
75
Coordinates from ORCA-job orca E -13838.841695777779
  N      -1.938906      1.155530      6.701296
  Mo     -2.991400      2.280531      5.206430
  N      -4.643607      2.589226      6.472914
  C      -4.472148      3.681752      7.437698
  C      -3.032591      3.694642      7.900058
  N      -2.093152      3.695988      6.722273
  C      -0.752154      3.167535      7.128089
  C      -0.871921      1.681924      7.517685
  C      -2.004400      5.083704      6.131443
  C      -2.329333      5.050753      4.638681
  N      -3.448954      4.131085      4.438666
  H       0.080063      1.159476      7.337247
  H      -1.120173      1.559373      8.582968
  H      -0.087652      3.280520      6.262185
  H      -0.348217      3.763318      7.961167
  H      -2.590738      6.059054      4.286047
  H      -1.464734      4.685433      4.065380
  H      -2.747464      5.706942      6.644324
  H      -1.009382      5.505292      6.330392
  H      -5.140818      3.542647      8.299266
  H      -4.759499      4.641678      6.974282
  H      -2.840240      2.789353      8.486499
  H      -2.811991      4.568149      8.532253
  C      -2.366664     -0.026395      6.356530
  N      -3.375280      0.200532      5.485747
  C      -4.042640     -0.015831      4.332931
  O      -4.238136      1.107096      3.740480
  C      -4.531079     -1.293063      3.839680
  C      -5.180164     -1.356290      2.594224
  C      -5.645916     -2.581588      2.129461
  C      -5.473674     -3.742476      2.889391
  C      -4.829725     -3.664919      4.128289
  Br     -4.602355     -5.238274      5.168412
  C      -4.357702     -2.452301      4.616003
  C      -4.703720      4.633866      4.295041
  N      -4.993712      5.891425      4.391960
  C      -6.303909      6.274465      4.075389
  O      -6.854560      5.964630      3.021829
  C      -6.982171      7.106798      5.116761
  C      -8.280737      7.577077      4.877658
  C      -8.954834      8.290976      5.865419
  C      -8.354923      8.532220      7.105827
  C      -7.063880      8.054193      7.330796
  Br     -6.229732      8.357823      9.023502
  C      -6.365685      7.356186      6.351678
  C      -5.903263      2.133052      6.309368
  N      -6.932231      2.651309      6.918570
  C      -8.152167      1.987538      6.735961
  O      -8.249127      0.776874      6.516931
  C      -9.353553      2.867732      6.865857
  C      -9.243739      4.242967      7.120928
  C     -10.392269      5.028134      7.211640
  C     -11.656912      4.457416      7.053242
  C     -11.751067      3.086498      6.800577
  Br    -13.476960      2.299019      6.582156
  C     -10.620407      2.285292      6.704387
  H      -1.981464     -1.001805      6.684499
  H      -5.313379     -0.446035      2.010267
  H      -6.154005     -2.643574      1.166739
  H      -5.842037     -4.701507      2.525414
  H      -3.882472     -2.403942      5.595336
  H      -5.480056      3.879140      4.102065
  H      -8.746511      7.364498      3.915394
  H      -9.964379      8.661029      5.680525
  H      -8.883436      9.082752      7.883908
  H      -5.352319      7.002477      6.532937
  H      -6.027851      1.303948      5.598110
  H      -8.256977      4.685965      7.248570
  H     -10.306883      6.097675      7.407443
  H     -12.557847      5.066526      7.125309
  H     -10.692501      1.216297      6.506318
  N      -1.586190      2.094028      4.092031
  N      -0.667076      2.020876      3.198625
  H      -0.659306      2.688855      2.423444
  H      -0.102888      1.173140      3.110760
75
Coordinates from ORCA-job orca E -13838.841699459066
  N      -1.938293      1.156279      6.700320
  Mo     -2.991033      2.281136      5.205052
  N      -4.642480      2.589478      6.473093
  C      -4.471152      3.682247      7.437616
  C      -3.031473      3.695765      7.899142
  N      -2.092717      3.697014      6.720817
  C      -0.751544      3.168545      7.126271
  C      -0.871238      1.683083      7.516429
  C      -2.004396      5.084479      6.129517
  C      -2.329831      5.051422      4.636847
  N      -3.449292      4.131238      4.437288
  H       0.080762      1.160756      7.335619
  H      -1.118799      1.560536      8.581870
  H      -0.087530      3.281121      6.259937
  H      -0.347338      3.764680      7.958954
  H      -2.592306      6.059560      4.284554
  H      -1.465574      4.686615      4.062739
  H      -2.747723      5.707691      6.642098
  H      -1.009572      5.506412      6.328704
  H      -5.139462      3.542888      8.299455
  H      -4.759497      4.641915      6.974341
  H      -2.838424      2.790509      8.485399
  H      -2.810652      4.569404      8.531075
  C      -2.366960     -0.025861      6.357201
  N      -3.374261      0.201207      5.484981
  C      -4.043260     -0.015589      4.333384
  O      -4.238952      1.107219      3.740425
  C      -4.533015     -1.292584      3.840901
  C      -5.185776     -1.354971      2.597321
  C      -5.653037     -2.579927      2.133156
  C      -5.478650     -3.741311      2.891819
  C      -4.830992     -3.664593      4.128857
  Br     -4.600724     -5.238718      5.167182
  C      -4.357414     -2.452356      4.615936
  C      -4.704239      4.634056      4.294462
  N      -4.994068      5.891656      4.391625
  C      -6.304572      6.274695      4.076122
  O      -6.855921      5.965673      3.022797
  C      -6.982481      7.106371      5.118467
  C      -8.279948      7.579356      4.879169
  C      -8.953569      8.292837      5.867592
  C      -8.354377      8.530737      7.108968
  C      -7.064409      8.049850      7.334206
  Br     -6.231155      8.348457      9.028279
  C      -6.366634      7.352500      6.354351
  C      -5.902102      2.133008      6.309984
  N      -6.931163      2.651274      6.919000
  C      -8.150846      1.986703      6.737147
  O      -8.246965      0.775515      6.520757
  C      -9.352596      2.866685      6.864541
  C      -9.243661      4.242511      7.116737
  C     -10.392664      5.027288      7.205010
  C     -11.656887      4.455570      7.047046
  C     -11.750190      3.084056      6.797302
  Br    -13.475509      2.295145      6.579496
  C     -10.619084      2.283198      6.703585
  H      -1.983052     -1.001223      6.686723
  H      -5.320672     -0.444278      2.014442
  H      -6.164005     -2.641226      1.171915
  H      -5.848169     -4.700083      2.528331
  H      -3.878981     -2.404832      5.593755
  H      -5.480823      3.879493      4.101920
  H      -8.745231      7.369215      3.916122
  H      -9.962231      8.665140      5.682371
  H      -8.882501      9.080875      7.887590
  H      -5.353976      6.996985      6.536058
  H      -6.026500      1.303626      5.599036
  H      -8.257196      4.686273      7.244010
  H     -10.307964      6.097273      7.398659
  H     -12.558272      5.064240      7.117193
  H     -10.690544      1.213713      6.507968
  N      -1.584797      2.094839      4.092163
  N      -0.660923      2.021874      3.203559
  H      -0.650181      2.688935      2.427617
  H      -0.098218      1.172964      3.117194
75
Coordinates from ORCA-job orca E -13838.841702886410
  N      -1.937923      1.157225      6.699339
  Mo     -2.990540      2.281916      5.203389
  N      -4.640989      2.589882      6.473124
  C      -4.469866      3.683125      7.437082
  C      -3.029968      3.697559      7.897789
  N      -2.091780      3.698157      6.718917
  C      -0.750652      3.169405      7.124284
  C      -0.870955      1.684296      7.515391
  C      -2.003573      5.085314      6.126977
  C      -2.330251      5.052370      4.634561
  N      -3.449663      4.131724      4.435625
  H       0.080970      1.161681      7.334860
  H      -1.118330      1.562108      8.580916
  H      -0.086937      3.281075      6.257598
  H      -0.346099      3.766051      7.956421
  H      -2.593904      6.060388      4.282845
  H      -1.466510      4.688036      4.059409
  H      -2.746331      5.708933      6.639915
  H      -1.008497      5.507049      6.325359
  H      -5.137646      3.543609      8.299339
  H      -4.759447      4.642390      6.973786
  H      -2.836333      2.792794      8.484565
  H      -2.808804      4.571772      8.528791
  C      -2.367397     -0.025083      6.357823
  N      -3.372964      0.201966      5.483613
  C      -4.043890     -0.014788      4.333477
  O      -4.239452      1.108137      3.740332
  C      -4.535491     -1.291399      3.841797
  C      -5.192256     -1.352754      2.600257
  C      -5.661546     -2.577213      2.136844
  C      -5.485195     -3.739150      2.894217
  C      -4.833485     -3.663469      4.129192
  Br     -4.600538     -5.238437      5.165669
  C      -4.357859     -2.451729      4.615498
  C      -4.704673      4.634590      4.293616
  N      -4.994539      5.892176      4.391270
  C      -6.305413      6.275017      4.076965
  O      -6.857458      5.966532      3.023873
  C      -6.982835      7.105856      5.120322
  C      -8.279163      7.581783      4.880814
  C      -8.952435      8.294258      5.870211
  C      -8.354221      8.527940      7.112864
  C      -7.065377      8.044092      7.338270
  Br     -6.233246      8.336880      9.033976
  C      -6.367832      7.348025      6.357369
  C      -5.900534      2.132868      6.310824
  N      -6.929643      2.651685      6.919222
  C      -8.149004      1.985892      6.739293
  O      -8.244048      0.773853      6.527340
  C      -9.351351      2.865471      6.863219
  C      -9.243676      4.242291      7.110487
  C     -10.393439      5.026361      7.195585
  C     -11.657097      4.452933      7.039554
  C     -11.749139      3.080411      6.794874
  Br    -13.473702      2.289049      6.580070
  C     -10.617305      2.280276      6.704179
  H      -1.985208     -1.000421      6.689326
  H      -5.328630     -0.441581      2.018480
  H      -6.175676     -2.637664      1.177239
  H      -5.856304     -4.697552      2.531375
  H      -3.876092     -2.405226      5.591735
  H      -5.481457      3.880157      4.101261
  H      -8.743822      7.374657      3.916810
  H      -9.960129      8.669034      5.684676
  H      -8.882160      9.077096      7.892303
  H      -5.355897      6.990603      6.539338
  H      -6.024753      1.302573      5.600939
  H      -8.257643      4.687398      7.236419
  H     -10.309764      6.097139      7.385245
  H     -12.559134      5.060896      7.107384
  H     -10.687718      1.210025      6.512428
  N      -1.582807      2.095866      4.092719
  N      -0.652926      2.022208      3.210332
  H      -0.637802      2.687889      2.433283
  H      -0.091732      1.171954      3.127075
75
Coordinates from ORCA-job orca E -13838.841706311328
  N      -1.938320      1.158256      6.698543
  Mo     -2.990161      2.282867      5.201520
  N      -4.639737      2.590569      6.472494
  C      -4.468837      3.684350      7.435764
  C      -3.028752      3.699719      7.895990
  N      -2.090761      3.699201      6.716822
  C      -0.749962      3.169922      7.122570
  C      -0.871537      1.685283      7.514807
  C      -2.002148      5.086062      6.124237
  C      -2.330346      5.053331      4.632137
  N      -3.449930      4.132597      4.433751
  H       0.080178      1.161913      7.335241
  H      -1.119415      1.563866      8.580303
  H      -0.086116      3.280379      6.255826
  H      -0.345095      3.767067      7.954194
  H      -2.594638      6.061356      4.280969
  H      -1.467142      4.689120      4.056120
  H      -2.743613      5.710481      6.638062
  H      -1.006408      5.507034      6.320953
  H      -5.136122      3.544949      8.298432
  H      -4.759280      4.643194      6.972161
  H      -2.834879      2.795851      8.483988
  H      -2.807342      4.574846      8.525620
  C      -2.368231     -0.024049      6.357936
  N      -3.371998      0.202883      5.481568
  C      -4.044589     -0.013590      4.332638
  O      -4.239973      1.109410      3.739239
  C      -4.537765     -1.289986      3.841888
  C      -5.197709     -1.350840      2.601984
  C      -5.668676     -2.575004      2.139540
  C      -5.490809     -3.737177      2.896229
  C      -4.835880     -3.662001      4.129510
  Br     -4.600791     -5.237330      5.164978
  C      -4.358594     -2.450510      4.614857
  C      -4.704804      4.635697      4.292163
  N      -4.994689      5.893220      4.390488
  C      -6.305574      6.276435      4.076885
  O      -6.857506      5.969372      3.023245
  C      -6.982909      7.105645      5.121402
  C      -8.277979      7.584815      4.881284
  C      -8.951462      8.295352      5.871917
  C      -8.354965      8.523608      7.116433
  C      -7.067428      8.036579      7.342326
  Br     -6.237556      8.321944      9.040462
  C      -6.369507      7.342658      6.360180
  C      -5.899251      2.132932      6.311102
  N      -6.928332      2.652644      6.918701
  C      -8.147410      1.985700      6.741275
  O      -8.241609      0.772842      6.533666
  C      -9.350389      2.864753      6.862520
  C      -9.243885      4.242560      7.104803
  C     -10.394430      5.025779      7.187642
  C     -11.657608      4.450537      7.034597
  C     -11.748443      3.077015      6.795065
  Br    -13.472374      2.283020      6.585074
  C     -10.615846      2.277779      6.706385
  H      -1.987857     -0.999474      6.691218
  H      -5.335156     -0.439452      2.020799
  H      -6.185342     -2.635029      1.181272
  H      -5.863238     -4.695374      2.534201
  H      -3.874309     -2.404576      5.589874
  H      -5.481714      3.881371      4.099672
  H      -8.741460      7.381716      3.915864
  H      -9.958039      8.672857      5.685825
  H      -8.883268      9.070958      7.896894
  H      -5.358445      6.983005      6.542564
  H      -6.023401      1.301430      5.602639
  H      -8.258259      4.689144      7.228746
  H     -10.311731      6.097356      7.373122
  H     -12.560260      5.057743      7.100942
  H     -10.685197      1.206783      6.518438
  N      -1.580478      2.096827      4.093716
  N      -0.644055      2.021337      3.218291
  H      -0.623591      2.685273      2.439888
  H      -0.084745      1.169429      3.139112
75
Coordinates from ORCA-job orca E -13838.841708706965
  N      -1.939073      1.158970      6.698308
  Mo     -2.989716      2.283757      5.200167
  N      -4.638799      2.591008      6.471747
  C      -4.468111      3.685298      7.434374
  C      -3.027955      3.701319      7.894620
  N      -2.089767      3.699754      6.715481
  C      -0.749464      3.169853      7.121907
  C      -0.872515      1.685602      7.515025
  C      -2.000339      5.086478      6.122558
  C      -2.329957      5.054068      4.630739
  N      -3.449791      4.133588      4.432670
  H       0.078903      1.161242      7.336764
  H      -1.121435      1.565121      8.580388
  H      -0.085093      3.279259      6.255427
  H      -0.344394      3.767245      7.953262
  H      -2.594209      6.062245      4.279998
  H      -1.467166      4.689739      4.054173
  H      -2.740176      5.711822      6.637556
  H      -1.003723      5.506293      6.317326
  H      -5.135156      3.546354      8.297285
  H      -4.758639      4.643826      6.970165
  H      -2.834145      2.798351      8.483945
  H      -2.806583      4.577280      8.523089
  C      -2.369053     -0.023133      6.357571
  N      -3.371211      0.203754      5.479331
  C      -4.044962     -0.011918      4.331140
  O      -4.239789      1.111368      3.738002
  C      -4.539514     -1.288023      3.840881
  C      -5.200984     -1.348509      2.601762
  C      -5.673312     -2.572376      2.139965
  C      -5.495275     -3.734636      2.896517
  C      -4.838804     -3.659828      4.128968
  Br     -4.603396     -5.235225      5.164272
  C      -4.360177     -2.448580      4.613685
  C      -4.704499      4.636816      4.290674
  N      -4.994437      5.894248      4.389234
  C      -6.304821      6.278391      4.074997
  O      -6.855362      5.973396      3.019921
  C      -6.983005      7.105645      5.120240
  C      -8.277145      7.586984      4.878951
  C      -8.951713      8.295345      5.870373
  C      -8.357433      8.519119      7.116808
  C      -7.070919      8.030006      7.343752
  Br     -6.244160      8.309217      9.044443
  C      -6.371776      7.338355      6.360855
  C      -5.898218      2.132710      6.311176
  N      -6.927236      2.653237      6.918145
  C      -8.146115      1.985524      6.742898
  O      -8.239983      0.772212      6.537667
  C      -9.349549      2.864084      6.863508
  C      -9.243652      4.242590      7.102161
  C     -10.394685      5.025168      7.184528
  C     -11.657687      4.448636      7.034891
  C     -11.747868      3.074413      6.799141
  Br    -13.471553      2.278543      6.594448
  C     -10.614776      2.275874      6.710694
  H      -1.990229     -0.998762      6.692033
  H      -5.338469     -0.437059      2.020677
  H      -6.191210     -2.632108      1.182347
  H      -5.868793     -4.692616      2.535033
  H      -3.874790     -2.402997      5.588164
  H      -5.481284      3.882434      4.097706
  H      -8.739019      7.387330      3.912052
  H      -9.957441      8.674670      5.683380
  H      -8.886791      9.064561      7.897889
  H      -5.361435      6.977106      6.544000
  H      -6.022407      1.300024      5.604119
  H      -8.258236      4.690297      7.223779
  H     -10.312492      6.097318      7.366894
  H     -12.560659      5.055376      7.101077
  H     -10.683508      1.204369      6.525403
  N      -1.578083      2.097462      4.095160
  N      -0.635875      2.019429      3.226041
  H      -0.610273      2.681655      2.446344
  H      -0.078511      1.165861      3.150899
75
Coordinates from ORCA-job orca E -13838.841710560875
  N      -1.939911      1.159148      6.698445
  Mo     -2.989303      2.284404      5.199439
  N      -4.638289      2.591192      6.471037
  C      -4.467650      3.685845      7.433205
  C      -3.027594      3.701996      7.893824
  N      -2.088963      3.699747      6.714990
  C      -0.749168      3.169221      7.122135
  C      -0.873463      1.685158      7.515646
  C      -1.998509      5.086477      6.122062
  C      -2.329321      5.054454      4.630454
  N      -3.449380      4.134444      4.432494
  H       0.077625      1.159861      7.338486
  H      -1.123471      1.565478      8.580850
  H      -0.084139      3.277990      6.256075
  H      -0.343998      3.766544      7.953499
  H      -2.593094      6.062886      4.280059
  H      -1.466834      4.689958      4.053512
  H      -2.736758      5.712701      6.638218
  H      -1.001016      5.504970      6.315145
  H      -5.134779      3.547622      8.296131
  H      -4.757462      4.644233      6.968256
  H      -2.834070      2.799587      8.484058
  H      -2.806505      4.578409      8.521759
  C      -2.369648     -0.022636      6.356695
  N      -3.370689      0.204373      5.477244
  C      -4.045121     -0.010380      4.329291
  O      -4.239524      1.113159      3.736562
  C      -4.540436     -1.286251      3.839129
  C      -5.202030     -1.346577      2.600078
  C      -5.675034     -2.570269      2.138520
  C      -5.497556     -3.732500      2.895256
  C      -4.840967     -3.657846      4.127636
  Br     -4.606252     -5.233104      5.163299
  C      -4.361660     -2.446749      4.612122
  C      -4.703973      4.637707      4.289530
  N      -4.993931      5.895049      4.387892
  C      -6.303377      6.280550      4.071845
  O      -6.851438      5.978269      3.014620
  C      -6.983443      7.105735      5.117323
  C      -8.276639      7.588748      4.873921
  C      -8.953073      8.295268      5.865359
  C      -8.361704      8.515491      7.113847
  C      -7.076255      8.024672      7.342876
  Br     -6.253782      8.298705      9.046459
  C      -6.375181      7.334854      6.360040
  C      -5.897657      2.132367      6.311107
  N      -6.926534      2.653375      6.917919
  C      -8.145389      1.985521      6.744022
  O      -8.239533      0.772192      6.538810
  C      -9.348893      2.863873      6.866040
  C      -9.242810      4.242634      7.103213
  C     -10.393852      5.025045      7.186897
  C     -11.657048      4.448129      7.040201
  C     -11.747383      3.073661      6.806000
  Br    -13.471306      2.277208      6.605709
  C     -10.614255      2.275315      6.716108
  H      -1.991843     -0.998577      6.691445
  H      -5.339051     -0.435182      2.018790
  H      -6.193038     -2.629899      1.180953
  H      -5.871617     -4.690337      2.533955
  H      -3.876273     -2.401246      5.586596
  H      -5.480467      3.883153      4.096016
  H      -8.736280      7.391979      3.905376
  H      -9.957988      8.675953      5.676789
  H      -8.892652      9.059459      7.894878
  H      -5.365644      6.972185      6.544737
  H      -6.022064      1.298943      5.604957
  H      -8.257327      4.690769      7.222762
  H     -10.311498      6.097398      7.367972
  H     -12.559941      5.054858      7.107517
  H     -10.683076      1.203629      6.531860
  N      -1.576039      2.097786      4.096661
  N      -0.629331      2.017233      3.232561
  H      -0.599498      2.678045      2.451816
  H      -0.073828      1.162166      3.160576
75
Coordinates from ORCA-job orca E -13838.841711876430
  N      -1.940372      1.158822      6.698833
  Mo     -2.988783      2.284757      5.199414
  N      -4.637927      2.591184      6.470785
  C      -4.467158      3.686070      7.432681
  C      -3.027299      3.701843      7.893791
  N      -2.088226      3.699381      6.715332
  C      -0.748823      3.168280      7.122964
  C      -0.873902      1.684204      7.516405
  C      -1.996844      5.086203      6.122625
  C      -2.328577      5.054627      4.631146
  N      -3.448696      4.134968      4.433186
  H       0.076912      1.158271      7.339808
  H      -1.124633      1.564963      8.581495
  H      -0.083302      3.276845      6.257254
  H      -0.343604      3.765299      7.954528
  H      -2.591976      6.063297      4.281100
  H      -1.466305      4.690184      4.053813
  H      -2.733913      5.713092      6.639626
  H      -0.998690      5.503532      6.314731
  H      -5.134641      3.548617      8.295430
  H      -4.755914      4.644466      6.967086
  H      -2.834130      2.799466      8.484196
  H      -2.806495      4.578200      8.521909
  C      -2.369901     -0.022657      6.355847
  N      -3.370254      0.204692      5.475817
  C      -4.045040     -0.009088      4.327834
  O      -4.238959      1.114787      3.735768
  C      -4.540919     -1.284594      3.837291
  C      -5.201877     -1.344497      2.597906
  C      -5.675357     -2.567912      2.136075
  C      -5.499023     -3.730247      2.892902
  C      -4.843083     -3.656004      4.125653
  Br     -4.609903     -5.231315      5.161569
  C      -4.363271     -2.445209      4.610399
  C      -4.703327      4.638048      4.289036
  N      -4.993375      5.895324      4.386696
  C      -6.301881      6.281874      4.068353
  O      -6.847289      5.981833      3.009116
  C      -6.984289      7.105534      5.113518
  C      -8.276751      7.589316      4.867676
  C      -8.955284      8.294823      5.858393
  C      -8.366740      8.513271      7.108538
  C      -7.082103      8.021544      7.340075
  Br     -6.263834      8.292698      9.046101
  C      -6.378948      7.332706      6.358026
  C      -5.897198      2.131938      6.311427
  N      -6.925915      2.652983      6.918535
  C      -8.144835      1.985307      6.745130
  O      -8.239464      0.772228      6.538513
  C      -9.348152      2.863681      6.869389
  C      -9.241443      4.242410      7.106511
  C     -10.392183      5.025017      7.192159
  C     -11.655752      4.448335      7.047513
  C     -11.746709      3.073918      6.813351
  Br    -13.471100      2.277791      6.615827
  C     -10.613851      2.275372      6.721480
  H      -1.992666     -0.998914      6.690373
  H      -5.338052     -0.433060      2.016479
  H      -6.192841     -2.627251      1.178209
  H      -5.873470     -4.687843      2.531362
  H      -3.878404     -2.399926      5.585135
  H      -5.479427      3.883217      4.095113
  H      -8.734149      7.394084      3.897762
  H      -9.959629      8.676090      5.668004
  H      -8.899328      9.056578      7.888917
  H      -5.370067      6.969214      6.544637
  H      -6.021883      1.298211      5.605677
  H      -8.255727      4.690445      7.224510
  H     -10.309286      6.097335      7.373210
  H     -12.558346      5.055339      7.116346
  H     -10.683214      1.203719      6.537211
  N      -1.574445      2.097960      4.097985
  N      -0.624849      2.015577      3.237155
  H      -0.592090      2.675526      2.455791
  H      -0.070703      1.159453      3.167131
75
Coordinates from ORCA-job orca E -13838.841712706240
  N      -1.940670      1.158210      6.699213
  Mo     -2.988309      2.284948      5.199706
  N      -4.637702      2.591390      6.470748
  C      -4.466590      3.686372      7.432531
  C      -3.026952      3.701381      7.894079
  N      -2.087528      3.698913      6.715966
  C      -0.748431      3.167198      7.123845
  C      -0.874032      1.683017      7.516977
  C      -1.995325      5.085811      6.123505
  C      -2.327852      5.054747      4.632116
  N      -3.447924      4.135274      4.434146
  H       0.076554      1.156687      7.340452
  H      -1.125050      1.563912      8.582020
  H      -0.082654      3.275745      6.258331
  H      -0.343137      3.763812      7.955662
  H      -2.591186      6.063605      4.282515
  H      -1.465791      4.690588      4.054255
  H      -2.731538      5.713241      6.641069
  H      -0.996691      5.502141      6.315188
  H      -5.134545      3.549613      8.295008
  H      -4.754262      4.644871      6.966487
  H      -2.834226      2.798669      8.484143
  H      -2.806239      4.577355      8.522773
  C      -2.370104     -0.023018      6.355106
  N      -3.370133      0.204858      5.474963
  C      -4.045001     -0.008178      4.326783
  O      -4.238593      1.115942      3.735225
  C      -4.541139     -1.283349      3.835690
  C      -5.201269     -1.342769      2.595867
  C      -5.674961     -2.565928      2.133526
  C      -5.499693     -3.728438      2.890302
  C      -4.844588     -3.654662      4.123543
  Br     -4.612870     -5.230170      5.159473
  C      -4.364536     -2.444177      4.608776
  C      -4.702646      4.638132      4.288895
  N      -4.992809      5.895373      4.385673
  C      -6.300547      6.282543      4.065195
  O      -6.843608      5.984223      3.004310
  C      -6.985312      7.105074      5.109850
  C      -8.277004      7.589529      4.861464
  C      -8.957549      8.294542      5.851156
  C      -8.371738      8.511817      7.102773
  C      -7.087910      8.019204      7.336977
  Br     -6.273706      8.288229      9.045249
  C      -6.382797      7.330847      6.356003
  C      -5.896906      2.131831      6.312029
  N      -6.925410      2.652647      6.919758
  C      -8.144454      1.985253      6.746480
  O      -8.239534      0.772469      6.538287
  C      -9.347468      2.863787      6.872828
  C      -9.240047      4.242371      7.110461
  C     -10.390392      5.025314      7.197986
  C     -11.654340      4.449080      7.054683
  C     -11.746023      3.074827      6.819945
  Br    -13.470908      2.279333      6.624096
  C     -10.613539      2.275922      6.726242
  H      -1.993156     -0.999579      6.689090
  H      -5.336693     -0.431227      2.014428
  H      -6.191765     -2.624927      1.175272
  H      -5.874310     -4.685803      2.528325
  H      -3.880280     -2.399141      5.583826
  H      -5.478389      3.883021      4.094778
  H      -8.732192      7.395332      3.890301
  H      -9.961330      8.676307      5.658851
  H      -8.905815      9.054919      7.882284
  H      -5.374579      6.966606      6.544708
  H      -6.021918      1.298127      5.606297
  H      -8.254053      4.690074      7.227380
  H     -10.306876      6.097500      7.379535
  H     -12.556609      5.056409      7.124963
  H     -10.683579      1.204375      6.541596
  N      -1.573274      2.098143      4.099059
  N      -0.621820      2.014525      3.240371
  H      -0.586934      2.673979      2.458675
  H      -0.068696      1.157636      3.171497
75
Coordinates from ORCA-job orca E -13838.841713816926
  N      -1.940865      1.157502      6.699519
  Mo     -2.987868      2.285121      5.200160
  N      -4.637510      2.591804      6.470926
  C      -4.465946      3.686806      7.432695
  C      -3.026470      3.700908      7.894582
  N      -2.086819      3.698485      6.716713
  C      -0.747969      3.166100      7.124635
  C      -0.874015      1.681803      7.517378
  C      -1.993916      5.085428      6.124467
  C      -2.327185      5.055000      4.633156
  N      -3.447108      4.135493      4.435174
  H       0.076393      1.155234      7.340650
  H      -1.125028      1.562605      8.582413
  H      -0.082127      3.274662      6.259174
  H      -0.342555      3.762294      7.956692
  H      -2.590865      6.063991      4.284168
  H      -1.465347      4.691380      4.054592
  H      -2.729488      5.713300      6.642422
  H      -0.994934      5.500916      6.316070
  H      -5.134374      3.550591      8.294887
  H      -4.752771      4.645438      6.966396
  H      -2.834227      2.797687      8.484058
  H      -2.805589      4.576365      8.523945
  C      -2.370403     -0.023525      6.354593
  N      -3.370276      0.205016      5.474531
  C      -4.045027     -0.007372      4.326105
  O      -4.238216      1.117021      3.735029
  C      -4.541412     -1.282164      3.834333
  C      -5.200781     -1.340945      2.594096
  C      -5.674705     -2.563790      2.131112
  C      -5.500445     -3.726580      2.887667
  C      -4.846092     -3.653430      4.121363
  Br     -4.615755     -5.229326      5.157008
  C      -4.365801     -2.443318      4.607219
  C      -4.701952      4.638020      4.288952
  N      -4.992382      5.895234      4.384795
  C      -6.299751      6.282270      4.062741
  O      -6.841268      5.984418      3.000992
  C      -6.986351      7.104359      5.106700
  C      -8.277625      7.588780      4.856362
  C      -8.959716      8.293816      5.844990
  C      -8.375802      8.511110      7.097465
  C      -7.092384      8.018336      7.333734
  Br     -6.280984      8.287054      9.043374
  C      -6.385791      7.329971      6.353844
  C      -5.896596      2.131928      6.312982
  N      -6.924892      2.652381      6.921421
  C      -8.144038      1.985122      6.748222
  O      -8.239342      0.772541      6.539008
  C      -9.346817      2.863796      6.875928
  C      -9.238911      4.242272      7.113959
  C     -10.388962      5.025478      7.202756
  C     -11.653162      4.449567      7.060305
  C     -11.745355      3.075441      6.825105
  Br    -13.470577      2.280408      6.630227
  C     -10.613154      2.276248      6.730173
  H      -1.993679     -1.000350      6.688060
  H      -5.335499     -0.429209      2.012799
  H      -6.190894     -2.622311      1.172495
  H      -5.875247     -4.683670      2.525156
  H      -3.882089     -2.398656      5.582561
  H      -5.477354      3.882607      4.094766
  H      -8.731236      7.394600      3.884454
  H      -9.963231      8.675533      5.651206
  H      -8.910960      9.054383      7.876113
  H      -5.377935      6.965572      6.544200
  H      -6.021877      1.298329      5.607163
  H      -8.252702      4.689676      7.230160
  H     -10.305015      6.097564      7.384707
  H     -12.555221      5.057093      7.131586
  H     -10.683721      1.204785      6.545246
  N      -1.572368      2.098389      4.099992
  N      -0.619567      2.013726      3.242906
  H      -0.582714      2.672898      2.461061
  H      -0.067260      1.156222      3.174973
75
Coordinates from ORCA-job orca E -13838.841714500311
  N      -1.941303      1.156825      6.699695
  Mo     -2.987618      2.285341      5.200523
  N      -4.637498      2.592648      6.471012
  C      -4.465396      3.687604      7.432820
  C      -3.026023      3.700739      7.894951
  N      -2.086217      3.698163      6.717250
  C      -0.747622      3.165008      7.125168
  C      -0.874221      1.680654      7.517593
  C      -1.992600      5.085074      6.125083
  C      -2.326572      5.055330      4.633852
  N      -3.446374      4.135709      4.435893
  H       0.076022      1.153871      7.340588
  H      -1.125092      1.561261      8.582639
  H      -0.081791      3.273460      6.259691
  H      -0.342057      3.760849      7.957397
  H      -2.590842      6.064415      4.285580
  H      -1.465001      4.692317      4.054491
  H      -2.727584      5.713416      6.643332
  H      -0.993307      5.499775      6.316700
  H      -5.134228      3.551800      8.294766
  H      -4.751639      4.646374      6.966430
  H      -2.834370      2.797029      8.483887
  H      -2.804707      4.575729      8.524814
  C      -2.371082     -0.024019      6.354189
  N      -3.370990      0.205311      5.474372
  C      -4.045281     -0.006680      4.325560
  O      -4.238045      1.117895      3.734699
  C      -4.541682     -1.281203      3.833159
  C      -5.200148     -1.339537      2.592431
  C      -5.674104     -2.562163      2.128867
  C      -5.500770     -3.725153      2.885315
  C      -4.847296     -3.652440      4.119519
  Br     -4.618224     -5.228647      5.154976
  C      -4.366999     -2.442589      4.605950
  C      -4.701275      4.637969      4.288882
  N      -4.991978      5.895183      4.383887
  C      -6.299315      6.281614      4.060927
  O      -6.840025      5.983412      2.998907
  C      -6.987106      7.103623      5.104275
  C      -8.278194      7.587758      4.852653
  C      -8.961321      8.292928      5.840483
  C      -8.378583      8.510585      7.093417
  C      -7.095322      8.017964      7.331039
  Br     -6.285648      8.287052      9.041442
  C      -6.387739      7.329493      6.351953
  C      -5.896474      2.132419      6.314001
  N      -6.924541      2.652473      6.923193
  C      -8.143740      1.985146      6.750322
  O      -8.239035      0.772625      6.540885
  C      -9.346416      2.863875      6.878633
  C      -9.238345      4.242307      7.116831
  C     -10.388279      5.025598      7.206300
  C     -11.652570      4.449770      7.064347
  C     -11.744947      3.075702      6.828929
  Br    -13.470301      2.280775      6.634652
  C     -10.612860      2.276407      6.733344
  H      -1.994559     -1.001096      6.687122
  H      -5.334201     -0.427662      2.011199
  H      -6.189589     -2.620340      1.169850
  H      -5.875598     -4.682053      2.522332
  H      -3.883991     -2.398167      5.581656
  H      -5.476455      3.882329      4.094755
  H      -8.730783      7.393249      3.880332
  H      -9.964732      8.674412      5.645715
  H      -8.914444      9.054038      7.871457
  H      -5.380046      6.965209      6.543411
  H      -6.021986      1.298920      5.608086
  H      -8.252020      4.689548      7.232623
  H     -10.304176      6.097642      7.388429
  H     -12.554584      5.057299      7.136210
  H     -10.683702      1.204983      6.548316
  N      -1.571701      2.098769      4.100827
  N      -0.617663      2.013151      3.245238
  H      -0.578789      2.672120      2.463326
  H      -0.066185      1.155036      3.178194
