75
Coordinates from ORCA-job orca E -13784.817629129149
  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
  H      -1.736255      2.593168      3.283851
  H      -2.871715      3.707863      2.941418
  H      -3.084735      2.161266      2.481271
75
Coordinates from ORCA-job orca E -13784.834063140141
  N      -2.097757      1.059937      5.593106
  Mo     -3.669288      2.327456      5.105632
  N      -4.588378      1.489785      6.864693
  C      -4.341744      2.306575      8.049435
  C      -2.845572      2.519214      8.131811
  N      -2.382990      3.180353      6.875105
  C      -0.957117      2.849232      6.629848
  C      -0.841988      1.371204      6.226039
  C      -2.562589      4.655066      6.984953
  C      -3.112044      5.198655      5.676503
  N      -4.180905      4.300042      5.243220
  H       0.004312      1.228596      5.536306
  H      -0.675521      0.722023      7.099690
  H      -0.597241      3.487226      5.812042
  H      -0.358327      3.058485      7.530180
  H      -3.505996      6.216308      5.804414
  H      -2.323800      5.219320      4.904719
  H      -3.290866      4.867130      7.776571
  H      -1.613382      5.145001      7.245549
  H      -4.697282      1.772999      8.946740
  H      -4.888081      3.261857      7.982972
  H      -2.366855      1.536753      8.221606
  H      -2.567504      3.124895      9.007695
  C      -2.450013     -0.016316      4.949727
  N      -3.642589      0.191242      4.358743
  C      -4.359161     -0.698416      3.610592
  O      -5.190008     -0.295111      2.783746
  C      -4.127627     -2.161868      3.816028
  C      -4.193612     -3.025898      2.717059
  C      -4.002168     -4.392606      2.892597
  C      -3.761097     -4.917005      4.162230
  C      -3.723203     -4.051053      5.251532
  Br     -3.414076     -4.748832      7.001007
  C      -3.901962     -2.680472      5.098514
  C      -5.379037      4.822676      4.991297
  N      -5.755758      6.052531      5.276287
  C      -6.964578      6.445758      4.730977
  O      -7.440653      5.982965      3.682905
  C      -7.690754      7.495554      5.503549
  C      -8.789194      8.140581      4.926312
  C      -9.524867      9.065422      5.659490
  C      -9.180087      9.352047      6.979912
  C      -8.081806      8.705809      7.541683
  Br     -7.605592      9.075893      9.353985
  C      -7.328968      7.786581      6.824415
  C      -5.726097      1.673341      6.185755
  N      -6.638542      2.603571      6.523261
  C      -7.700970      2.822293      5.713357
  O      -7.837297      2.373789      4.548884
  C      -8.717371      3.773015      6.274148
  C      -8.705914      4.158650      7.620607
  C      -9.635657      5.079213      8.095485
  C     -10.578592      5.637722      7.234477
  C     -10.575479      5.251398      5.895985
  Br    -11.847235      6.027124      4.705892
  C      -9.663808      4.327021      5.405523
  H      -1.827837     -0.911940      4.812033
  H      -4.393937     -2.606770      1.732312
  H      -4.045076     -5.061872      2.034284
  H      -3.613205     -5.985803      4.305139
  H      -3.901123     -2.024189      5.967362
  H      -6.120206      4.167916      4.519763
  H      -9.056185      7.894047      3.900199
  H     -10.383888      9.559016      5.206735
  H      -9.758059     10.064988      7.565116
  H      -6.476137      7.278977      7.267859
  H      -6.027891      0.849388      5.515257
  H      -7.958418      3.721309      8.278785
  H      -9.628279      5.372650      9.145076
  H     -11.302436      6.367894      7.592118
  H      -9.640302      4.044542      4.355579
  N      -2.695486      2.747238      3.213570
  H      -1.682784      2.590325      3.236294
  H      -2.823736      3.717409      2.903084
  H      -3.055928      2.156750      2.453194
75
Coordinates from ORCA-job orca E -13784.840113071828
  N      -2.069201      1.067217      5.581339
  Mo     -3.661320      2.321100      5.115996
  N      -4.558906      1.495903      6.887072
  C      -4.305943      2.310627      8.075882
  C      -2.814803      2.529959      8.133371
  N      -2.370177      3.196502      6.863414
  C      -0.940868      2.878675      6.593012
  C      -0.810611      1.401543      6.199221
  C      -2.562173      4.677623      6.968339
  C      -3.099005      5.215571      5.658286
  N      -4.166494      4.311266      5.227584
  H       0.035381      1.264614      5.505749
  H      -0.627734      0.762720      7.079047
  H      -0.607166      3.522570      5.766827
  H      -0.329758      3.107797      7.482677
  H      -3.493781      6.235419      5.777818
  H      -2.302258      5.235069      4.893047
  H      -3.294088      4.876846      7.761778
  H      -1.612890      5.166168      7.241007
  H      -4.641904      1.777591      8.983981
  H      -4.857567      3.265603      8.028411
  H      -2.317996      1.553873      8.208570
  H      -2.515914      3.141549      9.001288
  C      -2.441694     -0.024842      4.959569
  N      -3.644260      0.190794      4.377816
  C      -4.377344     -0.699523      3.629918
  O      -5.208504     -0.304489      2.804156
  C      -4.146994     -2.166856      3.848076
  C      -4.233706     -3.037975      2.752467
  C      -4.051867     -4.408584      2.933861
  C      -3.801134     -4.931617      4.207379
  C      -3.740305     -4.056813      5.292597
  Br     -3.420793     -4.753092      7.043351
  C      -3.906525     -2.681786      5.133071
  C      -5.377668      4.822621      4.956839
  N      -5.751773      6.046689      5.261052
  C      -6.972191      6.455286      4.736069
  O      -7.451072      6.061082      3.662619
  C      -7.691860      7.482445      5.558240
  C      -8.785952      8.162382      5.006538
  C      -9.509282      9.071506      5.777588
  C      -9.160931      9.305472      7.112412
  C      -8.072296      8.616966      7.650211
  Br     -7.598180      8.905799      9.484439
  C      -7.328300      7.716443      6.894315
  C      -5.724354      1.674831      6.212028
  N      -6.635073      2.603350      6.553122
  C      -7.688251      2.807178      5.707627
  O      -7.800954      2.346532      4.550813
  C      -8.719335      3.777126      6.224527
  C      -8.745124      4.201475      7.562756
  C      -9.697017      5.129052      7.989392
  C     -10.630146      5.652983      7.089033
  C     -10.588442      5.227371      5.759603
  Br    -11.852993      5.948361      4.516017
  C      -9.649550      4.302059      5.314874
  H      -1.829139     -0.928888      4.825343
  H      -4.447775     -2.622610      1.765769
  H      -4.111274     -5.085298      2.077964
  H      -3.663279     -6.004077      4.354894
  H      -3.886723     -2.018957      6.000186
  H      -6.102423      4.147110      4.473395
  H      -9.060883      7.954264      3.971361
  H     -10.364294      9.596308      5.344878
  H      -9.728694     10.008059      7.725606
  H      -6.481140      7.178800      7.319932
  H      -6.017349      0.862380      5.524141
  H      -8.005864      3.792725      8.253288
  H      -9.716387      5.456926      9.032165
  H     -11.373831      6.383582      7.411081
  H      -9.591974      3.994068      4.270412
  N      -2.692900      2.752623      3.171842
  H      -1.679660      2.592484      3.168265
  H      -2.827648      3.721897      2.857642
  H      -3.075318      2.157182      2.424297
75
Coordinates from ORCA-job orca E -13784.843329006613
  N      -2.049485      1.068082      5.576155
  Mo     -3.644221      2.326053      5.132230
  N      -4.543204      1.507034      6.893989
  C      -4.287502      2.304874      8.092252
  C      -2.797444      2.520993      8.144637
  N      -2.357670      3.197100      6.874929
  C      -0.928658      2.882655      6.591055
  C      -0.793144      1.407822      6.193826
  C      -2.549954      4.680442      6.988757
  C      -3.059792      5.227753      5.674142
  N      -4.124594      4.333333      5.225745
  H       0.055510      1.275503      5.502776
  H      -0.607307      0.769434      7.073616
  H      -0.607602      3.534224      5.766027
  H      -0.311976      3.116059      7.475862
  H      -3.447653      6.250753      5.789167
  H      -2.249613      5.244317      4.923329
  H      -3.291782      4.866883      7.775942
  H      -1.601954      5.157534      7.286176
  H      -4.618723      1.766228      8.998711
  H      -4.837257      3.261966      8.062715
  H      -2.293718      1.547696      8.203447
  H      -2.484533      3.127661      9.011111
  C      -2.442051     -0.026866      4.966478
  N      -3.644186      0.208496      4.388572
  C      -4.387493     -0.670535      3.632015
  O      -5.205145     -0.266124      2.801917
  C      -4.172726     -2.142179      3.852204
  C      -4.267952     -3.009449      2.753899
  C      -4.106361     -4.382957      2.932313
  C      -3.869372     -4.913811      4.205912
  C      -3.799994     -4.041660      5.293030
  Br     -3.502115     -4.749835      7.043403
  C      -3.944129     -2.663723      5.136408
  C      -5.329592      4.846340      4.914291
  N      -5.699389      6.070916      5.207867
  C      -6.899699      6.489622      4.643695
  O      -7.347164      6.104213      3.556678
  C      -7.664740      7.480918      5.474227
  C      -8.757501      8.151949      4.908758
  C      -9.517714      9.029995      5.680638
  C      -9.210887      9.239915      7.030264
  C      -8.126431      8.555342      7.581309
  Br     -7.714157      8.803329      9.438633
  C      -7.344201      7.687969      6.825495
  C      -5.721337      1.698108      6.226656
  N      -6.620280      2.625188      6.590701
  C      -7.664531      2.853182      5.730404
  O      -7.764225      2.428257      4.562585
  C      -8.714034      3.788015      6.277750
  C      -8.767029      4.144210      7.634705
  C      -9.742046      5.031604      8.092736
  C     -10.672086      5.583980      7.205636
  C     -10.598922      5.229358      5.857116
  Br    -11.852729      6.001764      4.628763
  C      -9.637328      4.345532      5.379575
  H      -1.846839     -0.941870      4.834577
  H      -4.475150     -2.589657      1.768143
  H      -4.171364     -5.057262      2.075451
  H      -3.749281     -5.988118      4.351196
  H      -3.917719     -2.003872      6.005143
  H      -6.027648      4.164224      4.401826
  H      -9.003375      7.960039      3.863605
  H     -10.370025      9.550418      5.238140
  H      -9.805845      9.919401      7.642861
  H      -6.500732      7.154884      7.263041
  H      -6.010189      0.906233      5.516149
  H      -8.030611      3.716014      8.315916
  H      -9.781247      5.309103      9.148968
  H     -11.432827      6.283706      7.552698
  H      -9.552437      4.099422      4.321081
  N      -2.662386      2.774900      3.156608
  H      -1.652154      2.603271      3.138201
  H      -2.793035      3.745144      2.847970
  H      -3.062914      2.185169      2.415747
75
Coordinates from ORCA-job orca E -13784.845750231718
  N      -2.032407      1.071914      5.561656
  Mo     -3.639171      2.322352      5.150844
  N      -4.529569      1.507982      6.900819
  C      -4.269995      2.288527      8.106707
  C      -2.780353      2.509706      8.152057
  N      -2.356850      3.196545      6.882440
  C      -0.928577      2.895709      6.579665
  C      -0.779755      1.424196      6.176631
  C      -2.558821      4.678337      7.008176
  C      -3.053166      5.233196      5.691187
  N      -4.106996      4.340774      5.226352
  H       0.069527      1.303406      5.484590
  H      -0.583225      0.786019      7.054294
  H      -0.627048      3.555615      5.754309
  H      -0.303459      3.135538      7.456575
  H      -3.442809      6.255217      5.807121
  H      -2.234001      5.256574      4.950751
  H      -3.310953      4.846627      7.789144
  H      -1.616553      5.152020      7.327880
  H      -4.593207      1.741438      9.010547
  H      -4.822876      3.243982      8.093957
  H      -2.266942      1.541161      8.194840
  H      -2.456475      3.112509      9.016578
  C      -2.438875     -0.026146      4.966428
  N      -3.644555      0.218524      4.401237
  C      -4.393441     -0.653925      3.641335
  O      -5.206957     -0.241743      2.813259
  C      -4.185995     -2.127697      3.859931
  C      -4.290700     -2.990725      2.759743
  C      -4.140015     -4.365066      2.933384
  C      -3.906171     -4.901616      4.204304
  C      -3.827957     -4.033107      5.292805
  Br     -3.536595     -4.750372      7.040566
  C      -3.959810     -2.654430      5.140960
  C      -5.311011      4.842380      4.890938
  N      -5.697013      6.059065      5.188698
  C      -6.897948      6.469327      4.620453
  O      -7.309874      6.124037      3.508446
  C      -7.671260      7.456916      5.449558
  C      -8.742297      8.148926      4.869305
  C      -9.505907      9.027882      5.634741
  C      -9.227017      9.216664      6.992603
  C      -8.167590      8.506968      7.557902
  Br     -7.800121      8.718814      9.429238
  C      -7.379537      7.640493      6.809386
  C      -5.719359      1.700575      6.247604
  N      -6.613024      2.624162      6.624435
  C      -7.653517      2.856953      5.754952
  O      -7.738452      2.447059      4.582862
  C      -8.699839      3.794804      6.300751
  C      -8.759331      4.142690      7.658246
  C      -9.738081      5.023774      8.116761
  C     -10.666932      5.577019      7.229931
  C     -10.585061      5.231259      5.880851
  Br    -11.840456      6.003769      4.652642
  C      -9.619262      4.355429      5.401045
  H      -1.857240     -0.948889      4.834385
  H      -4.498044     -2.567292      1.776452
  H      -4.211006     -5.036574      2.075896
  H      -3.795816     -5.976524      4.346158
  H      -3.925937     -1.998133      6.011237
  H      -5.986088      4.143829      4.370512
  H      -8.969465      7.972010      3.817986
  H     -10.339958      9.566756      5.181717
  H      -9.823363      9.898361      7.599428
  H      -6.555352      7.089622      7.259568
  H      -5.997875      0.924097      5.518157
  H      -8.024918      3.714646      8.340309
  H      -9.782086      5.296542      9.173069
  H     -11.432988      6.268757      7.578800
  H      -9.530007      4.115349      4.342058
  N      -2.653273      2.796085      3.144373
  H      -1.645342      2.618476      3.109445
  H      -2.787512      3.767379      2.844651
  H      -3.071690      2.210104      2.411937
75
Coordinates from ORCA-job orca E -13784.847785354139
  N      -2.018644      1.078014      5.549887
  Mo     -3.630488      2.325791      5.169184
  N      -4.521399      1.525332      6.903353
  C      -4.255162      2.287332      8.117087
  C      -2.763918      2.506661      8.159906
  N      -2.351368      3.199203      6.891155
  C      -0.925009      2.905375      6.574489
  C      -0.769608      1.435777      6.166540
  C      -2.556997      4.678820      7.026472
  C      -3.033020      5.241528      5.704939
  N      -4.076676      4.353211      5.220407
  H       0.080818      1.322319      5.474842
  H      -0.567541      0.796431      7.042101
  H      -0.635959      3.568877      5.747867
  H      -0.291724      3.147598      7.444685
  H      -3.422362      6.263571      5.821798
  H      -2.203709      5.270087      4.976259
  H      -3.322799      4.836066      7.796028
  H      -1.621233      5.149004      7.368719
  H      -4.577345      1.732509      9.016199
  H      -4.806556      3.243428      8.116097
  H      -2.249608      1.538503      8.192695
  H      -2.432412      3.104274      9.024399
  C      -2.439789     -0.021154      4.969035
  N      -3.647629      0.232252      4.415549
  C      -4.401978     -0.632798      3.654275
  O      -5.212918     -0.209564      2.828651
  C      -4.206561     -2.108080      3.869118
  C      -4.324427     -2.967297      2.767963
  C      -4.186710     -4.342496      2.937621
  C      -3.953600     -4.883522      4.205576
  C      -3.862467     -4.018510      5.294805
  Br     -3.572677     -4.742396      7.039939
  C      -3.980621     -2.639226      5.146944
  C      -5.274023      4.848808      4.861665
  N      -5.671615      6.062469      5.155123
  C      -6.871407      6.470795      4.585660
  O      -7.285081      6.112242      3.479124
  C      -7.661384      7.431526      5.429260
  C      -8.740452      8.117904      4.858884
  C      -9.509223      8.981958      5.633986
  C      -9.229727      9.158669      6.992178
  C      -8.165778      8.450109      7.547950
  Br     -7.801029      8.640285      9.421124
  C      -7.370590      7.600359      6.789950
  C      -5.716001      1.720573      6.262457
  N      -6.603447      2.646553      6.642088
  C      -7.638828      2.882237      5.765584
  O      -7.717973      2.460265      4.597692
  C      -8.692392      3.812528      6.304297
  C      -8.754894      4.169611      7.657993
  C      -9.748281      5.035190      8.111066
  C     -10.690512      5.561372      7.223097
  C     -10.604797      5.206716      5.877744
  Br    -11.884579      5.935442      4.649076
  C      -9.623511      4.347689      5.401967
  H      -1.875032     -0.954204      4.838901
  H      -4.532354     -2.540136      1.787020
  H      -4.266941     -5.011487      2.079829
  H      -3.853757     -5.959219      4.344648
  H      -3.935528     -1.985629      6.018165
  H      -5.935847      4.138725      4.339506
  H      -8.967548      7.950801      3.806450
  H     -10.347372      9.519586      5.188812
  H      -9.828313      9.831117      7.605911
  H      -6.540997      7.053051      7.233244
  H      -5.986471      0.955862      5.518398
  H      -8.011726      3.761752      8.341825
  H      -9.795157      5.315949      9.164421
  H     -11.471797      6.236183      7.569559
  H      -9.535635      4.097200      4.345395
  N      -2.634904      2.813379      3.141301
  H      -1.630033      2.625087      3.095897
  H      -2.767731      3.786462      2.850059
  H      -3.070836      2.231911      2.416657
75
Coordinates from ORCA-job orca E -13784.849665814569
  N      -2.008597      1.082282      5.537160
  Mo     -3.631605      2.321401      5.199105
  N      -4.517653      1.518545      6.913143
  C      -4.243991      2.251319      8.142142
  C      -2.751949      2.475670      8.179993
  N      -2.355212      3.185552      6.917102
  C      -0.929652      2.907452      6.584120
  C      -0.762992      1.443391      6.158320
  C      -2.572401      4.660428      7.072452
  C      -3.035240      5.238292      5.750783
  N      -4.064588      4.350781      5.238504
  H       0.087746      1.346542      5.464395
  H      -0.552521      0.795120      7.025296
  H      -0.654644      3.580420      5.760520
  H      -0.288107      3.145962      7.449272
  H      -3.430772      6.256970      5.876579
  H      -2.196199      5.282443      5.034076
  H      -3.353647      4.800533      7.829695
  H      -1.646743      5.132851      7.437733
  H      -4.561604      1.677409      9.030618
  H      -4.798642      3.205239      8.161187
  H      -2.235461      1.508220      8.196789
  H      -2.417667      3.061622      9.050899
  C      -2.437478     -0.015741      4.961101
  N      -3.650746      0.239328      4.423139
  C      -4.405618     -0.617900      3.655938
  O      -5.219609     -0.182422      2.837413
  C      -4.211429     -2.094597      3.850452
  C      -4.337566     -2.940617      2.740281
  C      -4.201072     -4.317599      2.892862
  C      -3.961083     -4.873167      4.152617
  C      -3.861889     -4.021507      5.251140
  Br     -3.562729     -4.765154      6.986298
  C      -3.978607     -2.640774      5.120285
  C      -5.254431      4.837190      4.854305
  N      -5.673460      6.046930      5.134000
  C      -6.862801      6.441492      4.537179
  O      -7.243478      6.076627      3.420039
  C      -7.672104      7.409212      5.350950
  C      -8.734078      8.093017      4.746918
  C      -9.515497      8.971324      5.492010
  C      -9.266144      9.164033      6.853358
  C      -8.221476      8.455339      7.443533
  Br     -7.901763      8.664227      9.321690
  C      -7.413266      7.591852      6.715815
  C      -5.716294      1.715740      6.288990
  N      -6.598050      2.638922      6.684769
  C      -7.638748      2.894503      5.821414
  O      -7.723425      2.492181      4.645847
  C      -8.679180      3.824745      6.377823
  C      -8.728212      4.164421      7.736090
  C      -9.712323      5.029781      8.207927
  C     -10.656792      5.574145      7.334253
  C     -10.583582      5.237811      5.983768
  Br    -11.863604      5.994645      4.774829
  C      -9.613502      4.376786      5.489603
  H      -1.883600     -0.954364      4.823471
  H      -4.550900     -2.501608      1.765910
  H      -4.287187     -4.976339      2.028000
  H      -3.862093     -5.950454      4.278551
  H      -3.926324     -1.997602      5.998663
  H      -5.899262      4.119930      4.319933
  H      -8.936797      7.914014      3.691485
  H     -10.338831      9.508813      5.020261
  H      -9.872860      9.850343      7.443193
  H      -6.597227      7.046542      7.185398
  H      -5.983574      0.965632      5.529010
  H      -7.982580      3.743113      8.408673
  H      -9.748879      5.297375      9.264906
  H     -11.431678      6.248107      7.695953
  H      -9.537934      4.136888      4.429662
  N      -2.635204      2.835917      3.160482
  H      -1.632529      2.641844      3.104395
  H      -2.770762      3.812624      2.885397
  H      -3.085199      2.262615      2.438686
75
Coordinates from ORCA-job orca E -13784.851455682843
  N      -1.999172      1.090343      5.522666
  Mo     -3.632818      2.319670      5.225561
  N      -4.515946      1.522202      6.923548
  C      -4.233330      2.227411      8.167413
  C      -2.740560      2.454975      8.196640
  N      -2.357078      3.177417      6.937642
  C      -0.932118      2.912206      6.591094
  C      -0.756244      1.452844      6.149662
  C      -2.585095      4.648089      7.106160
  C      -3.035559      5.237787      5.783967
  N      -4.051105      4.347987      5.246953
  H       0.095004      1.370732      5.454211
  H      -0.539782      0.795800      7.008514
  H      -0.668576      3.591927      5.769353
  H      -0.282980      3.147189      7.451697
  H      -3.439548      6.252271      5.916864
  H      -2.188032      5.297407      5.078222
  H      -3.381968      4.775464      7.849391
  H      -1.669948      5.125407      7.491203
  H      -4.545838      1.635248      9.045528
  H      -4.791272      3.178791      8.204851
  H      -2.224445      1.486874      8.201320
  H      -2.404327      3.031022      9.073383
  C      -2.434524     -0.008656      4.952122
  N      -3.655194      0.242595      4.429464
  C      -4.410442     -0.610501      3.659046
  O      -5.230985     -0.167799      2.848669
  C      -4.215645     -2.087894      3.836094
  C      -4.350328     -2.924154      2.719256
  C      -4.213061     -4.302846      2.858552
  C      -3.963714     -4.869636      4.111739
  C      -3.856103     -4.028202      5.217539
  Br     -3.543998     -4.786413      6.944184
  C      -3.973505     -2.645965      5.099751
  C      -5.235581      4.826742      4.845273
  N      -5.671324      6.032481      5.118121
  C      -6.857217      6.415671      4.509484
  O      -7.227829      6.038565      3.391489
  C      -7.673125      7.390742      5.305004
  C      -8.723380      8.075871      4.681943
  C      -9.510409      8.963620      5.410388
  C      -9.278919      9.162591      6.774171
  C      -8.245295      8.453571      7.383851
  Br     -7.951910      8.670100      9.264693
  C      -7.430387      7.582191      6.672182
  C      -5.718363      1.717106      6.311596
  N      -6.595479      2.641290      6.713085
  C      -7.639894      2.907278      5.859287
  O      -7.735973      2.501198      4.684465
  C      -8.672799      3.841075      6.419639
  C      -8.704523      4.194068      7.775565
  C      -9.685820      5.060754      8.252191
  C     -10.645041      5.591627      7.386149
  C     -10.590816      5.241201      6.037717
  Br    -11.895023      5.972442      4.840989
  C      -9.622125      4.379958      5.539044
  H      -1.890436     -0.952383      4.807449
  H      -4.570589     -2.475885      1.750388
  H      -4.305684     -4.953617      1.988016
  H      -3.863959     -5.948345      4.227314
  H      -3.914491     -2.010686      5.983575
  H      -5.874094      4.105866      4.305502
  H      -8.912703      7.890044      3.624941
  H     -10.325055      9.501462      4.923726
  H      -9.891534      9.854861      7.351287
  H      -6.623095      7.036221      7.156139
  H      -5.985777      0.975941      5.542603
  H      -7.948156      3.781581      8.442050
  H      -9.708682      5.338927      9.307091
  H     -11.418376      6.265625      7.752249
  H      -9.562200      4.126953      4.481002
  N      -2.638059      2.849343      3.180587
  H      -1.637483      2.648784      3.115522
  H      -2.774814      3.829231      2.918859
  H      -3.100949      2.282950      2.461671
75
Coordinates from ORCA-job orca E -13784.853167519881
  N      -1.994268      1.098606      5.504351
  Mo     -3.641424      2.315177      5.255528
  N      -4.517379      1.519124      6.940440
  C      -4.224348      2.192401      8.201096
  C      -2.731799      2.426223      8.215654
  N      -2.363802      3.164196      6.961509
  C      -0.939342      2.914062      6.599854
  C      -0.753261      1.461299      6.137551
  C      -2.605878      4.630086      7.143986
  C      -3.046692      5.232988      5.823791
  N      -4.048136      4.339242      5.262456
  H       0.097801      1.397643      5.439702
  H      -0.530168      0.792287      6.985338
  H      -0.688629      3.603588      5.782334
  H      -0.282896      3.143664      7.456543
  H      -3.462467      6.241452      5.965240
  H      -2.192783      5.310964      5.127473
  H      -3.416908      4.742168      7.874420
  H      -1.701762      5.114130      7.546948
  H      -4.526119      1.577168      9.066803
  H      -4.788852      3.138557      8.263340
  H      -2.213965      1.458733      8.204416
  H      -2.392625      2.991090      9.098870
  C      -2.432975     -0.001607      4.935596
  N      -3.663557      0.240831      4.431039
  C      -4.417210     -0.610945      3.656996
  O      -5.249215     -0.166788      2.858203
  C      -4.212157     -2.088433      3.814903
  C      -4.353624     -2.915195      2.691362
  C      -4.206794     -4.294936      2.816211
  C      -3.940638     -4.872533      4.061684
  C      -3.825874     -4.041177      5.174913
  Br     -3.490298     -4.813324      6.891016
  C      -3.952697     -2.657951      5.071205
  C      -5.228525      4.812313      4.844049
  N      -5.675458      6.016242      5.110240
  C      -6.853907      6.392704      4.483241
  O      -7.217277      5.997488      3.367967
  C      -7.677703      7.379250      5.255501
  C      -8.719088      8.058170      4.610252
  C      -9.511583      8.960007      5.316492
  C      -9.294089      9.178823      6.680125
  C      -8.268892      8.476714      7.313013
  Br     -7.994332      8.722266      9.192980
  C      -7.448839      7.591552      6.622989
  C      -5.726864      1.709768      6.340218
  N      -6.598983      2.634000      6.750190
  C      -7.648028      2.909044      5.906717
  O      -7.753655      2.508833      4.729894
  C      -8.667883      3.855111      6.470087
  C      -8.683553      4.219367      7.824263
  C      -9.654380      5.097276      8.304031
  C     -10.618362      5.628542      7.442917
  C     -10.581738      5.266716      6.095966
  Br    -11.893962      5.994647      4.907194
  C      -9.623484      4.393335      5.595339
  H      -1.894835     -0.947262      4.778229
  H      -4.586581     -2.458451      1.729057
  H      -4.305080     -4.937575      1.939765
  H      -3.833277     -5.952097      4.165824
  H      -3.888039     -2.030627      5.960560
  H      -5.862825      4.092208      4.295384
  H      -8.896281      7.856921      3.553620
  H     -10.319082      9.492851      4.811969
  H      -9.911630      9.881773      7.239637
  H      -6.647403      7.051433      7.123576
  H      -5.999552      0.976409      5.565489
  H      -7.923503      3.805427      8.486330
  H      -9.664393      5.383925      9.357231
  H     -11.382887      6.311946      7.811456
  H      -9.578234      4.128018      4.539348
  N      -2.656573      2.859218      3.207029
  H      -1.657702      2.654409      3.130832
  H      -2.795478      3.842405      2.959549
  H      -3.130917      2.300717      2.489224
75
Coordinates from ORCA-job orca E -13784.854770334157
  N      -1.993518      1.106772      5.482357
  Mo     -3.652760      2.311609      5.280982
  N      -4.522272      1.521862      6.957012
  C      -4.218453      2.164197      8.232135
  C      -2.726365      2.403530      8.229698
  N      -2.372383      3.153206      6.979095
  C      -0.948775      2.915117      6.603990
  C      -0.754524      1.468625      6.122558
  C      -2.627929      4.614882      7.170760
  C      -3.059262      5.228464      5.852372
  N      -4.047621      4.330787      5.269587
  H       0.096894      1.421704      5.423730
  H      -0.527224      0.788247      6.959992
  H      -0.709581      3.614006      5.791124
  H      -0.286366      3.139845      7.457439
  H      -3.487346      6.230661      6.000122
  H      -2.200567      5.322958      5.164152
  H      -3.451202      4.712786      7.889523
  H      -1.734110      5.105054      7.589661
  H      -4.506780      1.526369      9.085678
  H      -4.789912      3.104000      8.321100
  H      -2.206565      1.437169      8.203488
  H      -2.381980      2.959508      9.116931
  C      -2.434291      0.004929      4.915463
  N      -3.674759      0.236253      4.429427
  C      -4.425291     -0.618341      3.653795
  O      -5.268559     -0.179507      2.864743
  C      -4.204455     -2.095195      3.799577
  C      -4.347472     -2.917221      2.672499
  C      -4.186655     -4.296572      2.788376
  C      -3.904546     -4.879293      4.028397
  C      -3.787955     -4.053217      5.145742
  Br     -3.430439     -4.831906      6.854352
  C      -3.928565     -2.670308      5.050630
  C      -5.225356      4.801222      4.838013
  N      -5.677433      6.003489      5.106049
  C      -6.853798      6.376515      4.472258
  O      -7.218043      5.974311      3.359573
  C      -7.674532      7.375937      5.231971
  C      -8.711056      8.053367      4.576954
  C      -9.502270      8.965164      5.272631
  C      -9.287554      9.196249      6.635046
  C      -8.265523      8.497815      7.277893
  Br     -7.993487      8.762881      9.155769
  C      -7.447580      7.602257      6.598158
  C      -5.740219      1.707924      6.365525
  N      -6.605347      2.636698      6.778823
  C      -7.655520      2.914427      5.937627
  O      -7.775679      2.497670      4.768011
  C      -8.670273      3.870509      6.496421
  C      -8.670548      4.261469      7.843851
  C      -9.636101      5.149094      8.317865
  C     -10.610779      5.663001      7.457823
  C     -10.591530      5.273748      6.117703
  Br    -11.920632      5.973922      4.931278
  C      -9.637520      4.391219      5.623546
  H      -1.900050     -0.940944      4.744291
  H      -4.592646     -2.456917      1.714743
  H      -4.286611     -4.934636      1.908519
  H      -3.786301     -5.958579      4.125312
  H      -3.862705     -2.047472      5.943132
  H      -5.857824      4.084213      4.282192
  H      -8.885901      7.841850      3.521770
  H     -10.306863      9.495432      4.760433
  H      -9.905760      9.905385      7.186311
  H      -6.649128      7.063970      7.105785
  H      -6.021706      0.978407      5.590831
  H      -7.902372      3.859966      8.504626
  H      -9.633111      5.457091      9.365223
  H     -11.369842      6.355495      7.821429
  H      -9.604828      4.104185      4.572705
  N      -2.680317      2.858741      3.228439
  H      -1.683453      2.648720      3.140833
  H      -2.818667      3.844367      2.990825
  H      -3.165147      2.307463      2.511876
75
Coordinates from ORCA-job orca E -13784.856215112795
  N      -1.997374      1.112927      5.458204
  Mo     -3.669482      2.305733      5.311173
  N      -4.528193      1.516372      6.979382
  C      -4.212620      2.124646      8.267566
  C      -2.721694      2.372273      8.247288
  N      -2.385035      3.135975      7.001071
  C      -0.963039      2.911592      6.610047
  C      -0.760589      1.473413      6.105443
  C      -2.655309      4.593079      7.205143
  C      -3.079697      5.219386      5.890299
  N      -4.055827      4.320742      5.285686
  H       0.090936      1.445633      5.405749
  H      -0.528270      0.780100      6.930652
  H      -0.737034      3.623352      5.804807
  H      -0.294710      3.129993      7.460468
  H      -3.519560      6.215069      6.046183
  H      -2.217586      5.330811      5.209205
  H      -3.487410      4.673524      7.915860
  H      -1.770677      5.086959      7.639356
  H      -4.483058      1.461374      9.107236
  H      -4.791722      3.055947      8.389703
  H      -2.197241      1.409104      8.202593
  H      -2.368935      2.919346      9.136960
  C      -2.438906      0.011743      4.888651
  N      -3.688820      0.232613      4.425473
  C      -4.435171     -0.625040      3.647258
  O      -5.291526     -0.193177      2.870596
  C      -4.193012     -2.100976      3.780444
  C      -4.334751     -2.916771      2.648810
  C      -4.155138     -4.294602      2.753261
  C      -3.855275     -4.883002      3.986295
  C      -3.739924     -4.063428      5.108547
  Br     -3.358188     -4.850235      6.808005
  C      -3.898978     -2.681974      5.024517
  C      -5.229928      4.790159      4.838223
  N      -5.684613      5.991982      5.105342
  C      -6.853508      6.363865      4.455342
  O      -7.213712      5.947895      3.347266
  C      -7.676984      7.376095      5.196897
  C      -8.708751      8.045526      4.526410
  C      -9.500970      8.969745      5.204014
  C      -9.291714      9.222644      6.563265
  C      -8.273689      8.532913      7.221561
  Br     -8.007696      8.830598      9.095675
  C      -7.455673      7.624261      6.560080
  C      -5.756214      1.698847      6.398741
  N      -6.613830      2.630438      6.820943
  C      -7.668221      2.907861      5.983148
  O      -7.796391      2.488307      4.816320
  C      -8.668418      3.883328      6.537603
  C      -8.653204      4.294579      7.878769
  C      -9.605996      5.198265      8.347809
  C     -10.583069      5.709082      7.488656
  C     -10.579370      5.299675      6.154597
  Br    -11.912767      5.994291      4.969196
  C      -9.638498      4.400519      5.665925
  H      -1.905250     -0.930741      4.697164
  H      -4.593779     -2.452916      1.696505
  H      -4.254353     -4.927160      1.869447
  H      -3.722473     -5.961244      4.074167
  H      -3.833851     -2.064963      5.920990
  H      -5.853617      4.075276      4.270822
  H      -8.878602      7.817883      3.473871
  H     -10.301981      9.493383      4.679703
  H      -9.911171      9.941464      7.100183
  H      -6.660448      7.092654      7.079582
  H      -6.047257      0.972568      5.625540
  H      -7.883642      3.894668      8.538811
  H      -9.591003      5.521744      9.390252
  H     -11.331391      6.415164      7.848087
  H      -9.618630      4.095684      4.619717
  N      -2.715719      2.857309      3.250602
  H      -1.721160      2.643053      3.148111
  H      -2.852891      3.845150      3.022157
  H      -3.211355      2.314253      2.535124
75
Coordinates from ORCA-job orca E -13784.857469045122
  N      -2.003830      1.116290      5.434572
  Mo     -3.685557      2.301315      5.338602
  N      -4.537623      1.516085      6.999677
  C      -4.210188      2.091229      8.298281
  C      -2.719880      2.344515      8.263538
  N      -2.397536      3.118355      7.020352
  C      -0.977347      2.903277      6.616241
  C      -0.770516      1.472549      6.091898
  C      -2.679536      4.571855      7.234459
  C      -3.097036      5.210307      5.923910
  N      -4.062391      4.313651      5.297688
  H       0.083494      1.459471      5.394791
  H      -0.538186      0.767731      6.907153
  H      -0.760573      3.626671      5.819062
  H      -0.304462      3.114506      7.464821
  H      -3.546605      6.200233      6.088344
  H      -2.231878      5.336977      5.249694
  H      -3.518324      4.637199      7.938815
  H      -1.802474      5.066643      7.683004
  H      -4.464064      1.404037      9.123786
  H      -4.793315      3.014898      8.453898
  H      -2.192502      1.383774      8.203650
  H      -2.357291      2.885093      9.153207
  C      -2.445819      0.017850      4.861063
  N      -3.704289      0.229648      4.420415
  C      -4.445728     -0.632608      3.640554
  O      -5.312904     -0.209441      2.873415
  C      -4.180747     -2.106945      3.764632
  C      -4.316244     -2.917481      2.628739
  C      -4.116020     -4.292868      2.723346
  C      -3.801726     -4.884861      3.950639
  C      -3.692879     -4.070603      5.077243
  Br     -3.291603     -4.863162      6.769378
  C      -3.872144     -2.691524      5.002816
  C      -5.232198      4.784466      4.836294
  N      -5.689037      5.985023      5.105155
  C      -6.854382      6.353605      4.444662
  O      -7.209922      5.929650      3.339194
  C      -7.676992      7.377739      5.172146
  C      -8.708899      8.037131      4.492199
  C      -9.501120      8.970283      5.156506
  C      -9.291299      9.243949      6.511300
  C      -8.271936      8.565228      7.178365
  Br     -8.003664      8.893852      9.047196
  C      -7.454850      7.646695      6.530684
  C      -5.772954      1.698199      6.427042
  N      -6.620226      2.637750      6.853736
  C      -7.677179      2.914573      6.015715
  O      -7.821559      2.473829      4.859788
  C      -8.667906      3.903073      6.566530
  C      -8.634470      4.339059      7.899024
  C      -9.578911      5.253223      8.363447
  C     -10.565929      5.750629      7.508025
  C     -10.579956      5.316415      6.182442
  Br    -11.927484      5.992407      5.001286
  C      -9.648132      4.406391      5.698333
  H      -1.910647     -0.919209      4.647696
  H      -4.586518     -2.451867      1.680587
  H      -4.210279     -4.920999      1.836051
  H      -3.652882     -5.961383      4.030810
  H      -3.811135     -2.079497      5.902840
  H      -5.845091      4.069984      4.258714
  H      -8.879147      7.793860      3.443367
  H     -10.302890      9.485355      4.625199
  H      -9.911470      9.969327      7.037985
  H      -6.659584      7.122849      7.057694
  H      -6.074430      0.971540      5.659308
  H      -7.857702      3.949429      8.556456
  H      -9.549702      5.596257      9.399103
  H     -11.306801      6.466156      7.863554
  H      -9.642621      4.081523      4.658080
  N      -2.750347      2.845776      3.266368
  H      -1.759037      2.623480      3.149491
  H      -2.880963      3.835347      3.041611
  H      -3.257623      2.310844      2.552877
75
Coordinates from ORCA-job orca E -13784.858487006131
  N      -2.011066      1.118616      5.414217
  Mo     -3.701601      2.296941      5.366669
  N      -4.547378      1.515925      7.021271
  C      -4.208462      2.061402      8.327539
  C      -2.718588      2.320182      8.281355
  N      -2.409999      3.101290      7.039193
  C      -0.991658      2.894229      6.623188
  C      -0.782120      1.469815      6.083131
  C      -2.701846      4.551978      7.262378
  C      -3.115021      5.201370      5.956288
  N      -4.071079      4.308211      5.309961
  H       0.076265      1.467467      5.391147
  H      -0.552752      0.755746      6.891032
  H      -0.782174      3.627419      5.833126
  H      -0.314440      3.098944      7.469939
  H      -3.572218      6.186300      6.130160
  H      -2.247260      5.342390      5.288440
  H      -3.544780      4.604716      7.962874
  H      -1.830709      5.046404      7.722868
  H      -4.447501      1.353090      9.139688
  H      -4.792645      2.978505      8.513827
  H      -2.188551      1.361624      8.210481
  H      -2.346724      2.857479      9.168956
  C      -2.453321      0.024219      4.834702
  N      -3.719896      0.227826      4.417797
  C      -4.457327     -0.639103      3.637734
  O      -5.336963     -0.223874      2.881749
  C      -4.170112     -2.111111      3.751812
  C      -4.300766     -2.915363      2.611087
  C      -4.079051     -4.287983      2.694341
  C      -3.748245     -4.883798      3.915092
  C      -3.644776     -4.075808      5.046570
  Br     -3.220916     -4.874588      6.730285
  C      -3.845041     -2.699415      4.983305
  C      -5.234941      4.781612      4.835049
  N      -5.693118      5.981471      5.103099
  C      -6.854481      6.349603      4.432953
  O      -7.207655      5.915644      3.331260
  C      -7.676519      7.380968      5.150894
  C      -8.713901      8.027575      4.467022
  C      -9.505065      8.967712      5.121872
  C      -9.288320      9.262579      6.470900
  C      -8.262950      8.596824      7.141346
  Br     -7.984276      8.955831      9.003172
  C      -7.447545      7.670432      6.503614
  C      -5.787200      1.697247      6.455252
  N      -6.626895      2.643306      6.883992
  C      -7.690772      2.911510      6.048840
  O      -7.844496      2.455428      4.900952
  C      -8.667509      3.918969      6.590115
  C      -8.616192      4.383298      7.911918
  C      -9.552158      5.309827      8.367998
  C     -10.548246      5.792112      7.514549
  C     -10.578726      5.329988      6.199186
  Br    -11.939308      5.984685      5.020073
  C      -9.656128      4.407307      5.722920
  H      -1.914002     -0.904839      4.597540
  H      -4.583751     -2.447708      1.667787
  H      -4.169012     -4.911236      1.803327
  H      -3.582499     -5.958309      3.986522
  H      -3.786212     -2.092931      5.887116
  H      -5.835913      4.065913      4.247818
  H      -8.889182      7.768857      3.422839
  H     -10.311503      9.472438      4.587933
  H      -9.907746      9.993479      6.990442
  H      -6.648553      7.156227      7.034178
  H      -6.096108      0.965992      5.695556
  H      -7.833383      4.005042      8.568513
  H      -9.509808      5.674665      9.395575
  H     -11.282413      6.517246      7.863818
  H      -9.665174      4.058854      4.690443
  N      -2.789739      2.829358      3.276396
  H      -1.802650      2.596770      3.143931
  H      -2.911498      3.820178      3.051785
  H      -3.311331      2.301636      2.567854
75
Coordinates from ORCA-job orca E -13784.859301177094
  N      -2.015911      1.118684      5.400584
  Mo     -3.712947      2.293096      5.394707
  N      -4.557477      1.515311      7.041187
  C      -4.208770      2.032191      8.355077
  C      -2.718672      2.294862      8.301777
  N      -2.419856      3.082643      7.060517
  C      -1.002634      2.881379      6.636240
  C      -0.792534      1.461818      6.084325
  C      -2.719054      4.531123      7.293271
  C      -3.128258      5.192981      5.992730
  N      -4.075467      4.304571      5.325768
  H       0.073134      1.464924      5.401219
  H      -0.571805      0.739985      6.887663
  H      -0.796696      3.622211      5.852389
  H      -0.322322      3.079164      7.482263
  H      -3.591803      6.172991      6.178077
  H      -2.257614      5.349213      5.332067
  H      -3.565450      4.573200      7.990437
  H      -1.852930      5.023868      7.765047
  H      -4.437382      1.304524      9.153156
  H      -4.791050      2.944137      8.569134
  H      -2.187029      1.337733      8.223177
  H      -2.340224      2.829703      9.187823
  C      -2.458287      0.030005      4.812097
  N      -3.732417      0.227213      4.416569
  C      -4.467328     -0.642571      3.636056
  O      -5.359199     -0.232566      2.891891
  C      -4.161329     -2.112138      3.736738
  C      -4.290276     -2.907776      2.589808
  C      -4.049445     -4.278001      2.658895
  C      -3.701374     -4.879971      3.871752
  C      -3.600125     -4.080625      5.009540
  Br     -3.152771     -4.888614      6.682878
  C      -3.818976     -2.706549      4.960284
  C      -5.232751      4.780189      4.837228
  N      -5.696094      5.978448      5.100950
  C      -6.851848      6.341898      4.416632
  O      -7.191011      5.902646      3.312739
  C      -7.680450      7.378069      5.119140
  C      -8.722902      8.005940      4.425279
  C      -9.520668      8.950868      5.064738
  C      -9.304673      9.270623      6.408256
  C      -8.273925      8.623586      7.088518
  Br     -7.996094      9.016887      8.943652
  C      -7.452828      7.691418      6.466706
  C      -5.797640      1.700324      6.477643
  N      -6.627272      2.655557      6.906414
  C      -7.695977      2.925874      6.076066
  O      -7.868489      2.451781      4.938499
  C      -8.660646      3.943332      6.619037
  C      -8.588515      4.423336      7.934074
  C      -9.514994      5.358149      8.392448
  C     -10.521361      5.834413      7.547626
  C     -10.571234      5.357205      6.238376
  Br    -11.944025      6.005963      5.069546
  C      -9.659999      4.424574      5.759955
  H      -1.912896     -0.889113      4.550706
  H      -4.586514     -2.436040      1.652647
  H      -4.137496     -4.894715      1.763172
  H      -3.520511     -5.952699      3.932309
  H      -3.759447     -2.107170      5.868759
  H      -5.821193      4.061918      4.240603
  H      -8.896925      7.728976      3.385592
  H     -10.331423      9.440491      4.523340
  H      -9.928858     10.005646      6.916039
  H      -6.650813      7.191226      7.005822
  H      -6.113902      0.964469      5.725688
  H      -7.797273      4.051224      8.583931
  H      -9.456798      5.735210      9.414834
  H     -11.247725      6.566361      7.898873
  H      -9.685911      4.062604      4.732488
  N      -2.828249      2.810687      3.282685
  H      -1.846808      2.563779      3.134215
  H      -2.937480      3.802826      3.056717
  H      -3.367706      2.291127      2.581470
75
Coordinates from ORCA-job orca E -13784.859972765607
  N      -2.019195      1.120091      5.392038
  Mo     -3.722354      2.290353      5.416572
  N      -4.565946      1.519124      7.058714
  C      -4.210231      2.017276      8.377269
  C      -2.719895      2.284197      8.317928
  N      -2.428522      3.072819      7.074186
  C      -1.011962      2.875408      6.644145
  C      -0.801571      1.457537      6.088993
  C      -2.733098      4.519983      7.311299
  C      -3.140290      5.189056      6.014757
  N      -4.080323      4.303228      5.333525
  H       0.072287      1.459928      5.416177
  H      -0.591824      0.732823      6.892650
  H      -0.808994      3.618979      5.862093
  H      -0.328922      3.070787      7.488615
  H      -3.609209      6.164933      6.209081
  H      -2.267756      5.358148      5.359792
  H      -3.581501      4.555724      8.006521
  H      -1.870534      5.012433      7.789958
  H      -4.430347      1.275966      9.165115
  H      -4.791020      2.925104      8.611053
  H      -2.185992      1.328467      8.238040
  H      -2.337908      2.821664      9.200610
  C      -2.460452      0.034927      4.797528
  N      -3.741915      0.224331      4.420079
  C      -4.475784     -0.649868      3.642823
  O      -5.379959     -0.245953      2.909991
  C      -4.153327     -2.116550      3.732269
  C      -4.284786     -2.906113      2.581389
  C      -4.027283     -4.273965      2.638932
  C      -3.660180     -4.879515      3.844459
  C      -3.556962     -4.086448      4.986449
  Br     -3.084235     -4.899899      6.650248
  C      -3.791930     -2.714580      4.948541
  C      -5.231238      4.783503      4.835934
  N      -5.691766      5.982908      5.096668
  C      -6.844123      6.352077      4.408726
  O      -7.182728      5.912314      3.304713
  C      -7.670392      7.389372      5.110989
  C      -8.725236      8.003740      4.423482
  C      -9.522881      8.948521      5.063342
  C      -9.293327      9.282737      6.401228
  C      -8.248793      8.650941      7.074576
  Br     -7.950977      9.065361      8.922056
  C      -7.428518      7.717962      6.452600
  C      -5.804609      1.703179      6.493105
  N      -6.631142      2.664149      6.915078
  C      -7.707753      2.920563      6.089981
  O      -7.886433      2.431189      4.959852
  C      -8.664531      3.950473      6.621710
  C      -8.577603      4.458027      7.925455
  C      -9.500934      5.400228      8.375268
  C     -10.518673      5.856618      7.532959
  C     -10.583288      5.351368      6.234924
  Br    -11.973151      5.970631      5.069981
  C      -9.675400      4.411286      5.764682
  H      -1.906115     -0.872930      4.516057
  H      -4.595755     -2.432102      1.650180
  H      -4.116793     -4.886090      1.740214
  H      -3.466194     -5.950435      3.896246
  H      -3.728738     -2.120248      5.860038
  H      -5.814727      4.065559      4.233972
  H      -8.909788      7.715536      3.388672
  H     -10.344543      9.425949      4.527564
  H      -9.917998     10.016439      6.910286
  H      -6.617313      7.228359      6.987485
  H      -6.124232      0.956897      5.752856
  H      -7.777595      4.101824      8.573435
  H      -9.431338      5.798912      9.388717
  H     -11.241978      6.594729      7.877537
  H      -9.713854      4.026389      4.746058
  N      -2.874997      2.786403      3.276433
  H      -1.900479      2.523408      3.110544
  H      -2.971905      3.778589      3.044632
  H      -3.435841      2.271880      2.588474
75
Coordinates from ORCA-job orca E -13784.860589194921
  N      -2.018566      1.121397      5.390528
  Mo     -3.727360      2.286087      5.441064
  N      -4.571058      1.515658      7.076331
  C      -4.211222      1.995471      8.400662
  C      -2.720886      2.267672      8.338664
  N      -2.435323      3.060308      7.094476
  C      -1.018838      2.868735      6.659779
  C      -0.806501      1.453266      6.100151
  C      -2.744984      4.505897      7.338793
  C      -3.150133      5.184611      6.046260
  N      -4.082483      4.301091      5.350540
  H       0.075503      1.455056      5.437892
  H      -0.607816      0.725307      6.903762
  H      -0.819800      3.615348      5.879570
  H      -0.333523      3.062074      7.502984
  H      -3.624690      6.155857      6.250446
  H      -2.275383      5.368105      5.398055
  H      -3.595621      4.534551      8.031776
  H      -1.885780      4.997460      7.824543
  H      -4.425655      1.241061      9.177477
  H      -4.791647      2.898787      8.651721
  H      -2.183375      1.314198      8.257075
  H      -2.339128      2.806441      9.220512
  C      -2.458210      0.039814      4.787085
  N      -3.745313      0.222787      4.425779
  C      -4.480475     -0.651717      3.650096
  O      -5.397920     -0.249481      2.932173
  C      -4.146556     -2.116303      3.723043
  C      -4.288517     -2.897107      2.567328
  C      -4.019653     -4.263523      2.609408
  C      -3.630756     -4.876306      3.804629
  C      -3.517266     -4.092244      4.951879
  Br     -3.015408     -4.915830      6.602221
  C      -3.763017     -2.721703      4.929131
  C      -5.227292      4.782910      4.841341
  N      -5.690952      5.982115      5.094393
  C      -6.834533      6.351596      4.392202
  O      -7.155107      5.915058      3.281150
  C      -7.672144      7.386177      5.084111
  C      -8.730901      7.984735      4.388350
  C      -9.538131      8.929398      5.016532
  C      -9.313640      9.279824      6.351356
  C      -8.265576      8.663476      7.033529
  Br     -7.974674      9.099680      8.877195
  C      -7.436325      7.730249      6.423306
  C      -5.806869      1.702609      6.506668
  N      -6.627387      2.670072      6.924657
  C      -7.707505      2.929596      6.105985
  O      -7.900159      2.430709      4.981974
  C      -8.653684      3.967720      6.639478
  C      -8.549669      4.484841      7.938449
  C      -9.462949      5.435729      8.391062
  C     -10.487085      5.891749      7.556171
  C     -10.568319      5.377386      6.262435
  Br    -11.965357      5.997761      5.106841
  C      -9.671370      4.427604      5.789837
  H      -1.893547     -0.855275      4.485735
  H      -4.616559     -2.417722      1.644689
  H      -4.117125     -4.868928      1.706865
  H      -3.427870     -5.946208      3.844600
  H      -3.690222     -2.134440      5.844516
  H      -5.804285      4.063879      4.233682
  H      -8.910209      7.685087      3.355800
  H     -10.362836      9.394152      4.474202
  H      -9.944987     10.014081      6.851530
  H      -6.622590      7.252913      6.965393
  H      -6.130252      0.950281      5.773878
  H      -7.743884      4.130021      8.580126
  H      -9.380078      5.841654      9.400775
  H     -11.202713      6.636283      7.903272
  H      -9.723924      4.034134      4.775109
  N      -2.927779      2.769672      3.269426
  H      -1.961863      2.489560      3.082464
  H      -3.013292      3.762276      3.034802
  H      -3.514598      2.261370      2.598830
75
Coordinates from ORCA-job orca E -13784.861213625611
  N      -2.017116      1.124748      5.393598
  Mo     -3.730923      2.282232      5.462008
  N      -4.573859      1.513308      7.092697
  C      -4.212899      1.981712      8.421394
  C      -2.722751      2.258959      8.358055
  N      -2.440804      3.053039      7.112901
  C      -1.024268      2.866704      6.674669
  C      -0.809503      1.453099      6.112691
  C      -2.753545      4.497302      7.361925
  C      -3.156949      5.182704      6.072455
  N      -4.083085      4.299860      5.367311
  H       0.079377      1.452874      5.459728
  H      -0.621032      0.723386      6.917276
  H      -0.830138      3.614492      5.894346
  H      -0.336779      3.060186      7.516042
  H      -3.636691      6.149903      6.283929
  H      -2.280828      5.378304      5.429686
  H      -3.605981      4.521775      8.052912
  H      -1.896518      4.988609      7.851799
  H      -4.423430      1.217885      9.189806
  H      -4.794977      2.880864      8.683141
  H      -2.181412      1.307733      8.277647
  H      -2.344247      2.800633      9.239447
  C      -2.453229      0.044236      4.784358
  N      -3.745419      0.219123      4.435496
  C      -4.483097     -0.655016      3.662718
  O      -5.411474     -0.253259      2.957793
  C      -4.139703     -2.117605      3.718482
  C      -4.294489     -2.889886      2.558643
  C      -4.016838     -4.255018      2.585339
  C      -3.606213     -4.875173      3.769583
  C      -3.479955     -4.100019      4.921526
  Br     -2.949065     -4.933664      6.557674
  C      -3.734067     -2.730663      4.913790
  C      -5.221999      4.785101      4.849190
  N      -5.682849      5.986778      5.093529
  C      -6.817864      6.360303      4.381381
  O      -7.126401      5.927237      3.265138
  C      -7.661373      7.394782      5.065646
  C      -8.728223      7.976405      4.367735
  C      -9.542856      8.919402      4.989050
  C      -9.316212      9.286316      6.319182
  C      -8.258441      8.689124      7.003312
  Br     -7.962915      9.149541      8.840273
  C      -7.423120      7.756513      6.400054
  C      -5.806429      1.700108      6.515209
  N      -6.624617      2.672343      6.926139
  C      -7.707901      2.929502      6.113451
  O      -7.908792      2.423593      4.993453
  C      -8.649909      3.971503      6.646595
  C      -8.534523      4.498474      7.940955
  C      -9.443042      5.453848      8.394101
  C     -10.473331      5.905047      7.564154
  C     -10.567186      5.380047      6.275372
  Br    -11.973282      5.992376      5.127134
  C      -9.675277      4.425033      5.802914
  H      -1.875545     -0.836917      4.466939
  H      -4.639498     -2.404801      1.645198
  H      -4.124359     -4.853603      1.679358
  H      -3.396457     -5.944192      3.797741
  H      -3.650574     -2.150472      5.832736
  H      -5.799423      4.068171      4.239183
  H      -8.908453      7.663890      3.339129
  H     -10.375065      9.369012      4.445440
  H      -9.953796     10.018232      6.814883
  H      -6.602784      7.293016      6.944187
  H      -6.132710      0.939317      5.792214
  H      -7.722949      4.148254      8.577910
  H      -9.350568      5.867737      9.399773
  H     -11.183981      6.654655      7.910952
  H      -9.738119      4.022567      4.792297
  N      -2.993969      2.751495      3.255589
  H      -2.038524      2.453217      3.044719
  H      -3.070078      3.743536      3.016036
  H      -3.610302      2.246751      2.609432
75
Coordinates from ORCA-job orca E -13784.861896305803
  N      -2.014476      1.131347      5.399538
  Mo     -3.733166      2.277372      5.481723
  N      -4.570888      1.507335      7.109183
  C      -4.211392      1.968401      8.441609
  C      -2.722465      2.251496      8.377502
  N      -2.444607      3.048153      7.132769
  C      -1.028280      2.869290      6.689831
  C      -0.809181      1.458982      6.123417
  C      -2.759877      4.490909      7.386699
  C      -3.161989      5.181924      6.099494
  N      -4.082376      4.298000      5.388410
  H       0.083709      1.459257      5.476169
  H      -0.626535      0.727038      6.927523
  H      -0.842297      3.618840      5.909180
  H      -0.338222      3.064432      7.528573
  H      -3.647408      6.145181      6.316104
  H      -2.285198      5.388465      5.461141
  H      -3.613673      4.511800      8.076086
  H      -1.904061      4.982064      7.878858
  H      -4.418794      1.197425      9.203518
  H      -4.797727      2.862967      8.709546
  H      -2.176106      1.303304      8.297238
  H      -2.349180      2.795270      9.259888
  C      -2.445121      0.048878      4.786652
  N      -3.741303      0.213874      4.449160
  C      -4.483769     -0.657426      3.679537
  O      -5.422538     -0.253566      2.988926
  C      -4.134401     -2.118768      3.717164
  C      -4.307159     -2.882622      2.554261
  C      -4.024189     -4.246865      2.565079
  C      -3.590006     -4.875006      3.736735
  C      -3.445568     -4.108666      4.892438
  Br     -2.882507     -4.952932      6.512244
  C      -3.704747     -2.740165      4.900081
  C      -5.216473      4.785701      4.862251
  N      -5.674099      5.990237      5.097892
  C      -6.798497      6.368560      4.374110
  O      -7.091968      5.941959      3.250899
  C      -7.652795      7.398607      5.052077
  C      -8.721158      7.969923      4.348011
  C      -9.545323      8.909262      4.962460
  C      -9.326200      9.283081      6.291927
  C      -8.266643      8.696741      6.982722
  Br     -7.980717      9.167305      8.818511
  C      -7.422464      7.767677      6.386073
  C      -5.801880      1.693519      6.521734
  N      -6.617868      2.670652      6.925702
  C      -7.701287      2.928283      6.116941
  O      -7.907436      2.419850      4.998423
  C      -8.637833      3.977419      6.647303
  C      -8.512190      4.515270      7.936589
  C      -9.414593      5.477394      8.387882
  C     -10.449734      5.923792      7.561445
  C     -10.554868      5.387991      6.277825
  Br    -11.968701      5.991713      5.135371
  C      -9.667809      4.427010      5.807560
  H      -1.852117     -0.816923      4.455485
  H      -4.670425     -2.391119      1.651344
  H      -4.146023     -4.838440      1.656248
  H      -3.376053     -5.943510      3.752591
  H      -3.606980     -2.167097      5.822082
  H      -5.797445      4.072302      4.251549
  H      -8.894205      7.652507      3.319614
  H     -10.378932      9.350076      4.413790
  H      -9.971144     10.012108      6.782530
  H      -6.600605      7.312529      6.935110
  H      -6.132174      0.924954      5.808774
  H      -7.696969      4.167642      8.570424
  H      -9.313724      5.899301      9.389476
  H     -11.155968      6.678343      7.906784
  H      -9.739410      4.015795      4.800996
  N      -3.077434      2.735137      3.237247
  H      -2.134393      2.419469      2.998254
  H      -3.149014      3.725707      2.991646
  H      -3.726551      2.229893      2.624621
75
Coordinates from ORCA-job orca E -13784.862645438274
  N      -2.013299      1.143198      5.405835
  Mo     -3.735471      2.273782      5.502155
  N      -4.564210      1.499634      7.126177
  C      -4.208418      1.954723      8.461829
  C      -2.721008      2.243003      8.398168
  N      -2.447139      3.044519      7.156771
  C      -1.031646      2.874520      6.707340
  C      -0.807807      1.470070      6.130971
  C      -2.763333      4.485557      7.416632
  C      -3.161294      5.181914      6.130069
  N      -4.076681      4.297213      5.414014
  H       0.085548      1.475390      5.484768
  H      -0.625975      0.732896      6.930665
  H      -0.855619      3.627863      5.927961
  H      -0.338710      3.070397      7.543236
  H      -3.651756      6.142207      6.348424
  H      -2.283174      5.395898      5.496234
  H      -3.619203      4.504013      8.103353
  H      -1.908135      4.975132      7.911321
  H      -4.413871      1.177927      9.218238
  H      -4.800683      2.844518      8.732691
  H      -2.170094      1.297769      8.315315
  H      -2.353196      2.785738      9.283596
  C      -2.437122      0.056190      4.790846
  N      -3.735231      0.209650      4.465544
  C      -4.483983     -0.655731      3.697972
  O      -5.431765     -0.246887      3.022110
  C      -4.130946     -2.116339      3.717044
  C      -4.324844     -2.871954      2.552159
  C      -4.038058     -4.235242      2.546828
  C      -3.578399     -4.871231      3.704303
  C      -3.412290     -4.113337      4.862664
  Br     -2.813184     -4.967966      6.463856
  C      -3.675306     -2.745887      4.885888
  C      -5.204759      4.788161      4.878335
  N      -5.657255      5.997061      5.103087
  C      -6.771793      6.376965      4.367987
  O      -7.052613      5.951118      3.240954
  C      -7.634981      7.406810      5.035843
  C      -8.708491      7.961581      4.326613
  C      -9.542514      8.897306      4.933060
  C      -9.326940      9.285182      6.258855
  C      -8.260326      8.717661      6.954426
  Br     -7.977638      9.209769      8.784711
  C      -7.407756      7.791281      6.365870
  C      -5.794766      1.684816      6.527200
  N      -6.608676      2.667122      6.925314
  C      -7.688895      2.927100      6.116876
  O      -7.895143      2.420845      4.996773
  C      -8.627123      3.976107      6.647202
  C      -8.500032      4.517056      7.935239
  C      -9.401580      5.480175      8.385698
  C     -10.437817      5.924531      7.559721
  C     -10.546368      5.384807      6.278082
  Br    -11.963065      5.983101      5.137309
  C      -9.659289      4.422932      5.809400
  H      -1.828596     -0.793883      4.447252
  H      -4.707511     -2.373910      1.660947
  H      -4.176928     -4.819744      1.635896
  H      -3.361243     -5.939166      3.707484
  H      -3.560706     -2.179769      5.810223
  H      -5.791923      4.079283      4.268906
  H      -8.877873      7.632845      3.301177
  H     -10.381224      9.323509      4.380726
  H      -9.980433     10.010362      6.743698
  H      -6.580985      7.349417      6.918523
  H      -6.131030      0.908721      5.825677
  H      -7.683406      4.170522      8.567904
  H      -9.298388      5.904900      9.385784
  H     -11.142206      6.681695      7.903305
  H      -9.733312      4.008816      4.804127
  N      -3.181885      2.719199      3.219435
  H      -2.253717      2.387057      2.947766
  H      -3.254378      3.707152      2.965707
  H      -3.865735      2.208966      2.650481
75
Coordinates from ORCA-job orca E -13784.863497888597
  N      -2.014537      1.159830      5.405864
  Mo     -3.739622      2.271633      5.519790
  N      -4.555656      1.489411      7.141306
  C      -4.202360      1.937845      8.479184
  C      -2.715840      2.230851      8.414477
  N      -2.447839      3.040667      7.179291
  C      -1.034137      2.881312      6.719793
  C      -0.806351      1.485120      6.128606
  C      -2.765383      4.478829      7.448727
  C      -3.159780      5.181775      6.165222
  N      -4.070235      4.297120      5.443619
  H       0.083624      1.500005      5.478273
  H      -0.619809      0.740130      6.920017
  H      -0.869316      3.641228      5.944233
  H      -0.337594      3.076171      7.552548
  H      -3.655622      6.138833      6.385397
  H      -2.281104      5.402272      5.534864
  H      -3.622378      4.492597      8.133938
  H      -1.910306      4.965416      7.946384
  H      -4.404166      1.155298      9.230736
  H      -4.800191      2.822660      8.754295
  H      -2.161266      1.288401      8.324231
  H      -2.349978      2.768833      9.303742
  C      -2.429415      0.066401      4.791767
  N      -3.730526      0.205085      4.481214
  C      -4.485424     -0.654889      3.715602
  O      -5.438871     -0.241331      3.050739
  C      -4.127649     -2.114796      3.720226
  C      -4.339039     -2.864252      2.554504
  C      -4.047093     -4.226067      2.535906
  C      -3.564282     -4.867248      3.680701
  C      -3.380438     -4.115484      4.840433
  Br     -2.748217     -4.977319      6.424776
  C      -3.648855     -2.749714      4.876480
  C      -5.192769      4.791938      4.899736
  N      -5.641141      6.004069      5.118843
  C      -6.744504      6.386176      4.369347
  O      -7.008290      5.964541      3.236708
  C      -7.619595      7.413001      5.027661
  C      -8.688126      7.962238      4.306988
  C      -9.532872      8.893610      4.904783
  C      -9.333168      9.282835      6.232330
  C      -8.270948      8.721034      6.939209
  Br     -8.009886      9.215980      8.771628
  C      -7.408197      7.798899      6.359490
  C      -5.786406      1.674094      6.531888
  N      -6.596131      2.663672      6.926110
  C      -7.671919      2.925774      6.114650
  O      -7.876028      2.421584      4.992973
  C      -8.609578      3.978818      6.641091
  C      -8.479531      4.528851      7.924869
  C      -9.379122      5.495584      8.370558
  C     -10.417859      5.933566      7.544483
  C     -10.530294      5.384486      6.267404
  Br    -11.951814      5.971670      5.127187
  C      -9.643617      4.420225      5.803413
  H      -1.806120     -0.768149      4.436793
  H      -4.739109     -2.361811      1.673540
  H      -4.200128     -4.805145      1.623870
  H      -3.342798     -5.934153      3.673322
  H      -3.520592     -2.188995      5.802258
  H      -5.783005      4.088556      4.288096
  H      -8.844367      7.632693      3.279806
  H     -10.367831      9.315294      4.343506
  H      -9.995570     10.004491      6.710121
  H      -6.584891      7.360832      6.920355
  H      -6.132455      0.890493      5.844504
  H      -7.661565      4.185624      8.557575
  H      -9.273108      5.927464      9.367175
  H     -11.121190      6.693294      7.884217
  H      -9.720514      3.999059      4.801245
  N      -3.308795      2.699613      3.204006
  H      -2.397171      2.355278      2.894916
  H      -3.389872      3.683497      2.938940
  H      -4.025069      2.179405      2.686072
75
Coordinates from ORCA-job orca E -13784.864530809025
  N      -2.018538      1.185461      5.399995
  Mo     -3.743888      2.275142      5.534767
  N      -4.541888      1.476183      7.152065
  C      -4.191522      1.915603      8.491801
  C      -2.706715      2.214638      8.426986
  N      -2.445223      3.038227      7.202769
  C      -1.034223      2.890480      6.730708
  C      -0.804532      1.505808      6.117441
  C      -2.762598      4.473149      7.484475
  C      -3.149861      5.183848      6.203514
  N      -4.055679      4.301415      5.474437
  H       0.077418      1.536151      5.457119
  H      -0.607464      0.748684      6.894566
  H      -0.880105      3.660570      5.962870
  H      -0.334016      3.081320      7.560869
  H      -3.649783      6.138972      6.422368
  H      -2.269273      5.406105      5.577110
  H      -3.620882      4.481892      8.167857
  H      -1.907067      4.953539      7.987091
  H      -4.388311      1.126901      9.238636
  H      -4.795360      2.794628      8.772678
  H      -2.149355      1.274996      8.323207
  H      -2.339549      2.742185      9.322096
  C      -2.422950      0.083530      4.787545
  N      -3.724800      0.206097      4.495423
  C      -4.487045     -0.646464      3.730420
  O      -5.442357     -0.225301      3.073733
  C      -4.127617     -2.106766      3.726750
  C      -4.355491     -2.853120      2.562270
  C      -4.060585     -4.213800      2.535076
  C      -3.557921     -4.857132      3.669489
  C      -3.357511     -4.107897      4.828248
  Br     -2.696185     -4.973447      6.398469
  C      -3.629343     -2.743701      4.872611
  C      -5.172686      4.799942      4.922560
  N      -5.619081      6.014175      5.139928
  C      -6.713635      6.394468      4.375512
  O      -6.960692      5.973639      3.239360
  C      -7.601138      7.418026      5.023754
  C      -8.664015      7.961802      4.291025
  C      -9.518803      8.889032      4.880036
  C      -9.335526      9.279597      6.209072
  C      -8.278667      8.722294      6.927495
  Br     -8.040502      9.219966      8.761914
  C      -7.406044      7.804302      6.357180
  C      -5.774781      1.662789      6.532860
  N      -6.579400      2.660848      6.926679
  C      -7.648079      2.925398      6.106294
  O      -7.842939      2.426583      4.980735
  C      -8.589740      3.978329      6.628751
  C      -8.464524      4.532896      7.910497
  C      -9.367208      5.498548      8.350548
  C     -10.405931      5.930128      7.521237
  C     -10.513629      5.376197      6.246392
  Br    -11.936197      5.953030      5.101672
  C      -9.622859      4.414039      5.787482
  H      -1.789594     -0.738928      4.422493
  H      -4.770218     -2.348605      1.689451
  H      -4.226932     -4.790044      1.623746
  H      -3.333741     -5.923176      3.655041
  H      -3.488149     -2.185701      5.798075
  H      -5.762264      4.100530      4.307305
  H      -8.806980      7.631832      3.262213
  H     -10.349163      9.307282      4.309611
  H     -10.006158      9.998614      6.678942
  H      -6.586693      7.369386      6.926176
  H      -6.133254      0.873330      5.860197
  H      -7.647545      4.193160      8.546208
  H      -9.264883      5.934337      9.345669
  H     -11.112525      6.688290      7.856802
  H      -9.696773      3.988876      4.786775
  N      -3.455781      2.676245      3.195641
  H      -2.562597      2.324723      2.844470
  H      -3.555570      3.653845      2.915287
  H      -4.200485      2.138686      2.738007
75
Coordinates from ORCA-job orca E -13784.865718482881
  N      -2.023174      1.213411      5.388537
  Mo     -3.748126      2.282042      5.542999
  N      -4.531677      1.463114      7.154435
  C      -4.183925      1.892709      8.495544
  C      -2.699193      2.197532      8.432619
  N      -2.442166      3.035724      7.220424
  C      -1.033488      2.898934      6.737005
  C      -0.803452      1.526147      6.101572
  C      -2.759733      4.466869      7.515768
  C      -3.138644      5.186620      6.238739
  N      -4.039293      4.308394      5.499179
  H       0.070475      1.571691      5.431679
  H      -0.596876      0.756838      6.863827
  H      -0.887007      3.680067      5.978787
  H      -0.330616      3.084060      7.565849
  H      -3.642003      6.139894      6.457215
  H      -2.255411      5.410064      5.617177
  H      -3.619429      4.469220      8.197297
  H      -1.904352      4.939835      8.025423
  H      -4.375251      1.097599      9.237499
  H      -4.792009      2.766473      8.784309
  H      -2.139864      1.260355      8.315288
  H      -2.329291      2.713736      9.333274
  C      -2.415893      0.102969      4.778382
  N      -3.719719      0.208434      4.505446
  C      -4.488432     -0.640076      3.742767
  O      -5.444117     -0.213611      3.090658
  C      -4.126047     -2.100365      3.737222
  C      -4.366441     -2.847344      2.575723
  C      -4.067076     -4.206714      2.544916
  C      -3.547274     -4.847848      3.672260
  C      -3.334569     -4.097179      4.828082
  Br     -2.648482     -4.961167      6.388443
  C      -3.611148     -2.734706      4.875975
  C      -5.151837      4.811710      4.942333
  N      -5.597620      6.026209      5.164333
  C      -6.684915      6.406952      4.386421
  O      -6.914886      5.991139      3.245649
  C      -7.583426      7.424941      5.029046
  C      -8.639589      7.968057      4.286369
  C      -9.502746      8.890183      4.870278
  C      -9.335559      9.276203      6.202374
  C      -8.285483      8.717948      6.929998
  Br     -8.070244      9.209528      8.768641
  C      -7.404253      7.805100      6.365719
  C      -5.763974      1.653526      6.525569
  N      -6.562401      2.661166      6.919548
  C      -7.624470      2.927150      6.088628
  O      -7.809422      2.431460      4.960448
  C      -8.570057      3.979292      6.606942
  C      -8.449549      4.538431      7.886413
  C      -9.356151      5.502085      8.321064
  C     -10.395577      5.926438      7.488935
  C     -10.497844      5.367520      6.216415
  Br    -11.921923      5.934078      5.067142
  C      -9.602911      4.408080      5.761857
  H      -1.775400     -0.710363      4.405754
  H      -4.793741     -2.344326      1.708271
  H      -4.243325     -4.783422      1.635912
  H      -3.319282     -5.912813      3.654707
  H      -3.459978     -2.176243      5.799496
  H      -5.736944      4.115495      4.320602
  H      -8.769952      7.642593      3.254641
  H     -10.327577      9.309189      4.292567
  H     -10.012848      9.992222      6.666899
  H      -6.589942      7.369425      6.941135
  H      -6.135151      0.859016      5.867346
  H      -7.633144      4.203478      8.525174
  H      -9.257919      5.941950      9.314657
  H     -11.106294      6.681841      7.820910
  H      -9.673928      3.978440      4.762923
  N      -3.608479      2.647798      3.194405
  H      -2.735949      2.291647      2.799059
  H      -3.731229      3.617773      2.897228
  H      -4.375979      2.091991      2.798428
75
Coordinates from ORCA-job orca E -13784.866873219835
  N      -2.028317      1.242564      5.375241
  Mo     -3.752494      2.289789      5.548881
  N      -4.522576      1.450493      7.154025
  C      -4.177349      1.870392      8.496069
  C      -2.691822      2.180112      8.435559
  N      -2.438748      3.032901      7.235998
  C      -1.032540      2.907282      6.741248
  C      -0.802645      1.547094      6.083367
  C      -2.756522      4.459995      7.545545
  C      -3.126962      5.189077      6.272834
  N      -4.022570      4.315649      5.522278
  H       0.062657      1.608458      5.403732
  H      -0.586171      0.765569      6.829942
  H      -0.893240      3.699745      5.993412
  H      -0.327119      3.086243      7.568935
  H      -3.633463      6.140637      6.490920
  H      -2.240982      5.413203      5.656144
  H      -3.617551      4.455665      8.225275
  H      -1.901314      4.925017      8.062543
  H      -4.363391      1.069194      9.233361
  H      -4.789070      2.739199      8.792803
  H      -2.131034      1.245288      8.304596
  H      -2.318620      2.684453      9.341618
  C      -2.408845      0.123474      4.767550
  N      -3.714876      0.211336      4.513921
  C      -4.489860     -0.633853      3.753999
  O      -5.445511     -0.202614      3.105627
  C      -4.124131     -2.094055      3.748295
  C      -4.376056     -2.842738      2.590393
  C      -4.071846     -4.200726      2.557287
  C      -3.535570     -4.838424      3.678258
  C      -3.311637     -4.085176      4.830476
  Br     -2.601772     -4.946066      6.381836
  C      -3.593327     -2.724502      4.880634
  C      -5.130924      4.824030      4.961325
  N      -5.576408      6.038357      5.189623
  C      -6.656771      6.420055      4.398655
  O      -6.869776      6.010096      3.253359
  C      -7.565837      7.432044      5.036593
  C      -8.614849      7.975862      4.284514
  C      -9.485855      8.892686      4.864172
  C      -9.334740      9.272577      6.199568
  C      -8.291942      8.711832      6.935750
  Br     -8.099737      9.194996      8.778943
  C      -7.402534      7.804334      6.376748
  C      -5.753380      1.644974      6.515681
  N      -6.545103      2.662506      6.910307
  C      -7.600478      2.929753      6.068329
  O      -7.775124      2.436888      4.937779
  C      -8.550134      3.980826      6.582455
  C      -8.434589      4.544415      7.859625
  C      -9.345434      5.505695      8.288860
  C     -10.385613      5.922578      7.453908
  C     -10.482004      5.358769      6.183713
  Br    -11.907574      5.914952      5.029732
  C      -9.582745      4.402363      5.733397
  H      -1.762003     -0.681427      4.388021
  H      -4.815418     -2.342213      1.727692
  H      -4.257163     -4.778818      1.651145
  H      -3.303474     -5.902236      3.658626
  H      -3.432930     -2.164674      5.801681
  H      -5.710726      4.130919      4.332568
  H      -8.732735      7.656208      3.249672
  H     -10.304797      9.313651      4.279676
  H     -10.018218      9.985556      6.659321
  H      -6.593621      7.366782      6.958092
  H      -6.137490      0.845982      5.871973
  H      -7.618771      4.214550      8.501542
  H      -9.251613      5.949588      9.280939
  H     -11.100760      6.674810      7.782372
  H      -9.650669      3.968225      4.736280
  N      -3.763436      2.616940      3.201926
  H      -2.913725      2.257193      2.762770
  H      -3.912887      3.578154      2.888788
  H      -4.548343      2.042152      2.869829
75
Coordinates from ORCA-job orca E -13784.867611438169
  N      -2.030924      1.262369      5.365829
  Mo     -3.754606      2.295099      5.551339
  N      -4.518322      1.442493      7.151298
  C      -4.174741      1.856308      8.493936
  C      -2.687849      2.168515      8.436117
  N      -2.436474      3.031018      7.245258
  C      -1.031696      2.913281      6.743589
  C      -0.801569      1.561711      6.070839
  C      -2.754488      4.455188      7.564460
  C      -3.118775      5.190590      6.294587
  N      -4.010828      4.320444      5.536596
  H       0.058052      1.633839      5.385146
  H      -0.578580      0.772306      6.806891
  H      -0.896925      3.713406      6.003062
  H      -0.324895      3.088025      7.570783
  H      -3.627306      6.141044      6.512370
  H      -2.230823      5.415139      5.681356
  H      -3.616618      4.446323      8.242687
  H      -1.899628      4.914803      8.086716
  H      -4.358096      1.051336      9.228155
  H      -4.788340      2.722288      8.795540
  H      -2.126327      1.235156      8.296555
  H      -2.312855      2.664791      9.345921
  C      -2.403054      0.137430      4.759700
  N      -3.710612      0.213274      4.518670
  C      -4.489799     -0.630084      3.761023
  O      -5.445710     -0.196043      3.115303
  C      -4.121915     -2.090221      3.755928
  C      -4.381805     -2.840692      2.600974
  C      -4.074494     -4.197805      2.567008
  C      -3.527108     -4.832582      3.683877
  C      -3.295431     -4.076962      4.833142
  Br     -2.569585     -4.934927      6.378690
  C      -3.580384     -2.717435      4.884148
  C      -5.116575      4.832393      4.973465
  N      -5.561831      6.046454      5.206580
  C      -6.637783      6.429220      4.407477
  O      -6.839914      6.023608      3.259248
  C      -7.553467      7.437067      5.042913
  C      -8.597922      7.981737      4.285222
  C      -9.473833      8.894907      4.862649
  C      -9.332855      9.270230      6.200204
  C      -8.294690      8.707459      6.941411
  Br     -8.117038      9.184332      8.787560
  C      -7.400166      7.803617      6.385340
  C      -5.746572      1.639399      6.507026
  N      -6.533897      2.663377      6.902137
  C      -7.584748      2.931582      6.052790
  O      -7.752460      2.440709      4.920664
  C      -8.537141      3.981762      6.564307
  C      -8.424866      4.548042      7.840046
  C      -9.338527      5.507632      8.265896
  C     -10.379199      5.919722      7.429182
  C     -10.471700      5.352911      6.160442
  Br    -11.898204      5.902523      5.003452
  C      -9.569627      4.398585      5.712720
  H      -1.752035     -0.662026      4.376082
  H      -4.829325     -2.342327      1.741323
  H      -4.266062     -4.777355      1.663212
  H      -3.292388     -5.895653      3.663392
  H      -3.413618     -2.156162      5.803125
  H      -5.692898      4.141474      4.340019
  H      -8.707965      7.666329      3.248345
  H     -10.289029      9.317469      4.274162
  H     -10.020172      9.981100      6.657256
  H      -6.594681      7.364539      6.970126
  H      -6.138971      0.837775      5.872649
  H      -7.609418      4.221496      8.483970
  H      -9.247613      5.954019      9.257032
  H     -11.097253      6.669782      7.755483
  H      -9.635546      3.961617      4.716769
  N      -3.870523      2.595563      3.211631
  H      -3.037857      2.234264      2.742245
  H      -4.040536      3.550348      2.889287
  H      -4.664180      2.007663      2.924216
75
Coordinates from ORCA-job orca E -13784.868207548277
  N      -2.032359      1.278922      5.357466
  Mo     -3.755715      2.299644      5.552029
  N      -4.516095      1.436184      7.147089
  C      -4.173797      1.845273      8.490208
  C      -2.685228      2.158888      8.435362
  N      -2.434563      3.029452      7.251879
  C      -1.030755      2.918519      6.745029
  C      -0.800176      1.574206      6.060032
  C      -2.752828      4.451044      7.579240
  C      -3.111702      5.191801      6.311707
  N      -4.000736      4.324466      5.547507
  H       0.054841      1.655324      5.369651
  H      -0.571874      0.778493      6.787406
  H      -0.899481      3.725087      6.010853
  H      -0.323066      3.089621      7.572060
  H      -3.621826      6.141364      6.529311
  H      -2.222034      5.416721      5.701474
  H      -3.616006      4.438368      8.256025
  H      -1.898420      4.906124      8.106098
  H      -4.355590      1.037402      9.221927
  H      -4.788478      2.709336      8.795510
  H      -2.123308      1.226628      8.289018
  H      -2.309062      2.648352      9.348400
  C      -2.397408      0.149098      4.752636
  N      -3.706310      0.214855      4.521745
  C      -4.488966     -0.627384      3.766377
  O      -5.445351     -0.191473      3.122896
  C      -4.119377     -2.087461      3.762542
  C      -4.386074     -2.840100      2.610568
  C      -4.076309     -4.196543      2.576640
  C      -3.519644     -4.828256      3.690360
  C      -3.281356     -4.069994      4.836643
  Br     -2.542222     -4.924637      6.377713
  C      -3.568881     -2.711351      4.887603
  C      -5.104549      4.839576      4.983186
  N      -5.549512      6.053311      5.220812
  C      -6.622157      6.437307      4.415641
  O      -6.815978      6.035503      3.265114
  C      -7.542851      7.441673      5.049643
  C      -8.583914      7.987245      4.288002
  C      -9.463562      8.897300      4.864190
  C      -9.330232      9.268578      6.203476
  C      -8.295502      8.703988      6.948131
  Br     -8.128861      9.175274      8.796638
  C      -7.397074      7.803232      6.393876
  C      -5.741129      1.634853      6.498296
  N      -6.525034      2.663952      6.893754
  C      -7.572015      2.933008      6.038209
  O      -7.733776      2.443878      4.904741
  C      -8.526787      3.982311      6.547551
  C      -8.417497      4.550495      7.822276
  C      -9.333531      5.508647      8.245332
  C     -10.374334      5.917081      7.406983
  C     -10.463343      5.348096      6.139290
  Br    -11.890184      5.892785      4.979537
  C      -9.558938      4.395487      5.693714
  H      -1.743004     -0.646062      4.366078
  H      -4.840427     -2.344035      1.753252
  H      -4.273208     -4.777856      1.675213
  H      -3.282848     -5.890749      3.669765
  H      -3.396676     -2.148322      5.804457
  H      -5.678185      4.150635      4.345924
  H      -8.688073      7.675526      3.249504
  H     -10.275981      9.321301      4.272959
  H     -10.020468      9.977613      6.658793
  H      -6.594129      7.362768      6.980983
  H      -6.140024      0.831296      5.871239
  H      -7.602526      4.226532      8.467983
  H      -9.245223      5.956870      9.235804
  H     -11.094772      6.665365      7.731480
  H      -9.622970      3.956423      4.698617
  N      -3.961427      2.577422      3.222585
  H      -3.144013      2.215808      2.727414
  H      -4.150621      3.526462      2.893828
  H      -4.760104      1.978054      2.973274
75
Coordinates from ORCA-job orca E -13784.868716982073
  N      -2.033095      1.293885      5.349030
  Mo     -3.756123      2.304264      5.550467
  N      -4.514941      1.431412      7.141036
  C      -4.173783      1.837060      8.484437
  C      -2.683404      2.151362      8.432783
  N      -2.432624      3.028815      7.255768
  C      -1.029449      2.923738      6.744927
  C      -0.798495      1.585746      6.049429
  C      -2.750937      4.448146      7.590011
  C      -3.104623      5.193380      6.324358
  N      -3.991179      4.328605      5.554909
  H       0.052469      1.674615      5.355031
  H      -0.565590      0.784761      6.769327
  H      -0.900761      3.735960      6.016524
  H      -0.321244      3.091508      7.572074
  H      -3.615875      6.142352      6.541589
  H      -2.213350      5.418196      5.716745
  H      -3.615124      4.432380      8.265414
  H      -1.896985      4.899166      8.121029
  H      -4.354708      1.027083      9.214317
  H      -4.788978      2.699917      8.792486
  H      -2.121417      1.219871      8.280853
  H      -2.306305      2.634815      9.348667
  C      -2.391813      0.159444      4.745869
  N      -3.702072      0.216089      4.523877
  C      -4.487960     -0.625965      3.771469
  O      -5.445234     -0.189210      3.130093
  C      -4.116863     -2.085976      3.770172
  C      -4.390083     -2.841751      2.621780
  C      -4.078188     -4.197659      2.589175
  C      -3.512887     -4.825483      3.700505
  C      -3.268282     -4.063665      4.843206
  Br     -2.516877     -4.913776      6.380846
  C      -3.558009     -2.705723      4.892839
  C      -5.093887      4.846990      4.990993
  N      -5.537971      6.060373      5.233937
  C      -6.608863      6.446349      4.425264
  O      -6.797307      6.048681      3.272826
  C      -7.532962      7.447046      5.060342
  C      -8.572410      7.993889      4.297434
  C      -9.454709      8.900370      4.874824
  C      -9.326074      9.266812      6.215766
  C      -8.292925      8.700263      6.961180
  Br     -8.133148      9.164834      8.811930
  C      -7.391683      7.803003      6.406237
  C      -5.736272      1.631240      6.488348
  N      -6.517703      2.664715      6.883400
  C      -7.560488      2.934052      6.021195
  O      -7.715369      2.446441      4.886354
  C      -8.518320      3.982159      6.527596
  C      -8.413525      4.551635      7.801755
  C      -9.332324      5.508332      8.221326
  C     -10.372000      5.913819      7.380131
  C     -10.456077      5.343250      6.113083
  Br    -11.881367      5.884207      4.948860
  C      -9.549017      4.392252      5.670410
  H      -1.734697     -0.632527      4.357570
  H      -4.850825     -2.348653      1.766220
  H      -4.280173     -4.781514      1.690580
  H      -3.274297     -5.887502      3.680833
  H      -3.380602     -2.140154      5.807103
  H      -5.665968      4.160131      4.350802
  H      -8.673087      7.686321      3.257435
  H     -10.265820      9.325936      4.282943
  H     -10.018434      9.973494      6.671378
  H      -6.589926      7.360952      6.993669
  H      -6.140425      0.825865      5.867670
  H      -7.599842      4.229902      8.450103
  H      -9.247723      5.957954      9.211441
  H     -11.094920      6.660547      7.702163
  H      -9.609886      3.951675      4.675838
  N      -4.043379      2.559589      3.233914
  H      -3.240589      2.197900      2.715443
  H      -4.250942      3.502982      2.899759
  H      -4.844874      1.949633      3.019457
75
Coordinates from ORCA-job orca E -13784.869159864820
  N      -2.033819      1.307267      5.340144
  Mo     -3.756530      2.308814      5.547155
  N      -4.515138      1.427533      7.133547
  C      -4.174920      1.830443      8.477117
  C      -2.682689      2.144762      8.428804
  N      -2.431127      3.028289      7.257608
  C      -1.028294      2.928191      6.743789
  C      -0.797162      1.595876      6.038831
  C      -2.749324      4.445602      7.597900
  C      -3.098033      5.194849      6.333876
  N      -3.982667      4.332697      5.559675
  H       0.050293      1.691567      5.341063
  H      -0.560391      0.790221      6.752039
  H      -0.901249      3.745598      6.020917
  H      -0.319891      3.092520      7.571366
  H      -3.609941      6.143468      6.550805
  H      -2.205228      5.419227      5.728625
  H      -3.614493      4.427251      8.271967
  H      -1.895849      4.892875      8.132812
  H      -4.355521      1.018831      9.205497
  H      -4.790054      2.692654      8.787426
  H      -2.121001      1.213729      8.272114
  H      -2.304782      2.622697      9.347272
  C      -2.386911      0.168653      4.738681
  N      -3.698600      0.216851      4.525008
  C      -4.487543     -0.626273      3.776690
  O      -5.447044     -0.190258      3.138282
  C      -4.114092     -2.085928      3.778568
  C      -4.393934     -2.845702      2.634400
  C      -4.079136     -4.200931      2.603748
  C      -3.504349     -4.823870      3.712766
  C      -3.253351     -4.057703      4.851273
  Br     -2.488605     -4.901875      6.385616
  C      -3.545986     -2.700546      4.898927
  C      -5.084807      4.854688      4.997432
  N      -5.527436      6.067707      5.246272
  C      -6.597242      6.456552      4.435499
  O      -6.781666      6.063767      3.281116
  C      -7.523549      7.453721      5.073023
  C      -8.561796      8.002839      4.310116
  C      -9.445871      8.905826      4.889957
  C      -9.320586      9.266521      6.232675
  C      -8.288621      8.697114      6.977603
  Br     -8.133919      9.153543      8.830777
  C      -7.385431      7.803246      6.420679
  C      -5.732437      1.628213      6.477593
  N      -6.512057      2.665474      6.871843
  C      -7.550716      2.934827      6.003109
  O      -7.698585      2.448625      4.866938
  C      -8.511783      3.981497      6.506503
  C      -8.411934      4.551678      7.780421
  C      -9.333454      5.507007      8.196482
  C     -10.371374      5.910312      7.352042
  C     -10.450097      5.338735      6.085333
  Br    -11.872766      5.877283      4.916019
  C      -9.540536      4.389113      5.645660
  H      -1.727660     -0.620990      4.349463
  H      -4.861732     -2.356378      1.780549
  H      -4.286239     -4.788007      1.708472
  H      -3.263365     -5.885302      3.694541
  H      -3.363239     -2.131757      5.810110
  H      -5.656122      4.170176      4.354770
  H      -8.660092      7.700067      3.268553
  H     -10.256009      9.333663      4.298393
  H     -10.014395      9.970826      6.689650
  H      -6.584594      7.358898      7.007533
  H      -6.140939      0.821150      5.862498
  H      -7.599893      4.231771      8.431640
  H      -9.252872      5.957589      9.186461
  H     -11.096610      6.655690      7.671525
  H      -9.597890      3.947456      4.651413
  N      -4.117786      2.542315      3.245684
  H      -3.329033      2.180703      2.706033
  H      -4.342630      3.480267      2.907089
  H      -4.920478      1.922805      3.062775
75
Coordinates from ORCA-job orca E -13784.869602565743
  N      -2.035199      1.320507      5.328840
  Mo     -3.757510      2.314165      5.540680
  N      -4.517583      1.423701      7.122219
  C      -4.178655      1.823506      8.466187
  C      -2.684586      2.137102      8.422383
  N      -2.430759      3.027042      7.257445
  C      -1.027761      2.931142      6.742150
  C      -0.796875      1.604749      6.027081
  C      -2.748487      4.442427      7.603764
  C      -3.091067      5.196179      6.341479
  N      -3.974091      4.337618      5.561656
  H       0.047670      1.707204      5.326727
  H      -0.557279      0.793959      6.733275
  H      -0.900618      3.754220      6.025799
  H      -0.319908      3.090684      7.571087
  H      -3.603020      6.144733      6.558254
  H      -2.196276      5.419593      5.739069
  H      -3.615050      4.421733      8.275982
  H      -1.895741      4.885440      8.143385
  H      -4.359649      1.010175      9.192788
  H      -4.793046      2.685472      8.778958
  H      -2.123798      1.206186      8.260906
  H      -2.305970      2.608845      9.343779
  C      -2.382608      0.177859      4.729066
  N      -3.695958      0.217210      4.523975
  C      -4.487721     -0.629184      3.781746
  O      -5.451522     -0.196674      3.147510
  C      -4.109950     -2.087924      3.788719
  C      -4.396892     -2.853905      2.650417
  C      -4.077289     -4.208073      2.623395
  C      -3.490679     -4.823523      3.730250
  C      -3.232916     -4.050848      4.862952
  Br     -2.451772     -4.885592      6.394230
  C      -3.530264     -2.694785      4.906931
  C      -5.075994      4.864555      5.002715
  N      -5.516173      6.077102      5.259112
  C      -6.585643      6.470154      4.447573
  O      -6.767055      6.083707      3.290964
  C      -7.513590      7.462767      5.089754
  C      -8.552142      8.014169      4.328863
  C      -9.438128      8.912091      4.913378
  C      -9.314722      9.265580      6.258131
  C      -8.282235      8.693603      7.000418
  Br     -8.130539      9.139804      8.856346
  C      -7.377015      7.804548      6.439348
  C      -5.730170      1.625860      6.462858
  N      -6.508181      2.666996      6.856050
  C      -7.542872      2.936380      5.980790
  O      -7.684044      2.451313      4.843507
  C      -8.506744      3.981855      6.481215
  C      -8.411191      4.553047      7.754698
  C      -9.334717      5.507784      8.167123
  C     -10.370649      5.909551      7.319446
  C     -10.444757      5.336402      6.053375
  Br    -11.864386      5.873641      4.878879
  C      -9.533667      4.387145      5.616846
  H      -1.721533     -0.610267      4.340107
  H      -4.873537     -2.370451      1.798152
  H      -4.289804     -4.800124      1.732709
  H      -3.245807     -5.884050      3.714814
  H      -3.341748     -2.121052      5.813803
  H      -5.647321      4.183063      4.357770
  H      -8.649382      7.717185      3.285599
  H     -10.248623      9.342003      4.323799
  H     -10.010220      9.966060      6.718290
  H      -6.575953      7.357940      7.024067
  H      -6.142855      0.817198      5.853083
  H      -7.600763      4.234884      8.408691
  H      -9.257546      5.959759      9.156717
  H     -11.097332      6.654538      7.636141
  H      -9.588187      3.943879      4.623219
  N      -4.191694      2.523826      3.258304
  H      -3.417410      2.162914      2.697571
  H      -4.434621      3.455880      2.915421
  H      -4.993823      1.894421      3.105822
75
Coordinates from ORCA-job orca E -13784.870277239394
  N      -2.040231      1.339733      5.305262
  Mo     -3.762467      2.323258      5.525596
  N      -4.526447      1.414756      7.097175
  C      -4.190624      1.806840      8.442920
  C      -2.694734      2.119265      8.408458
  N      -2.434918      3.020761      7.254665
  C      -1.030571      2.929682      6.740786
  C      -0.800830      1.613655      6.007289
  C      -2.751957      4.433168      7.611248
  C      -3.083723      5.196138      6.352990
  N      -3.965030      4.346078      5.561509
  H       0.041394      1.727260      5.305755
  H      -0.559913      0.792895      6.700997
  H      -0.898961      3.763142      6.037543
  H      -0.325351      3.077675      7.574121
  H      -3.594512      6.144812      6.571375
  H      -2.185112      5.418014      5.756079
  H      -3.621524      4.408390      8.279513
  H      -1.901165      4.868550      8.160197
  H      -4.372855      0.989280      9.164745
  H      -4.803151      2.668119      8.761555
  H      -2.136044      1.188341      8.238564
  H      -2.315348      2.579544      9.335307
  C      -2.379041      0.192670      4.706009
  N      -3.695073      0.217587      4.514810
  C      -4.489353     -0.639621      3.786323
  O      -5.465425     -0.219980      3.162148
  C      -4.098793     -2.095109      3.804588
  C      -4.396898     -2.875535      2.678933
  C      -4.064730     -4.226887      2.660919
  C      -3.454587     -4.824723      3.764544
  C      -3.186454     -4.037351      4.884799
  Br     -2.373211     -4.849358      6.411716
  C      -3.496023     -2.683975      4.919658
  C      -5.066910      4.883538      5.010707
  N      -5.501312      6.095262      5.280532
  C      -6.569471      6.497552      4.467639
  O      -6.744514      6.123870      3.306458
  C      -7.498448      7.484071      5.117031
  C      -8.537571      8.039291      4.359536
  C      -9.425421      8.930632      4.950941
  C      -9.303469      9.274229      6.298394
  C      -8.270256      8.697958      7.036344
  Br     -8.121458      9.129619      8.896046
  C      -7.363140      7.814780      6.469309
  C      -5.731908      1.621029      6.432822
  N      -6.508160      2.667092      6.825662
  C      -7.540059      2.936079      5.943901
  O      -7.676135      2.450887      4.806374
  C      -8.504932      3.980808      6.442828
  C      -8.407586      4.556730      7.713584
  C      -9.330162      5.513328      8.123188
  C     -10.366978      5.912657      7.275321
  C     -10.442433      5.333515      6.012330
  Br    -11.862194      5.869687      4.836010
  C      -9.533849      4.381315      5.578018
  H      -1.715553     -0.594231      4.319153
  H      -4.891419     -2.406102      1.829090
  H      -4.285647     -4.830487      1.780149
  H      -3.199706     -5.882885      3.756181
  H      -3.298517     -2.098945      5.817280
  H      -5.639104      4.208260      4.361907
  H      -8.634240      7.750629      3.313988
  H     -10.236493      9.363957      4.364665
  H     -10.000566      9.969819      6.763304
  H      -6.561772      7.364660      7.050670
  H      -6.149816      0.810641      5.829224
  H      -7.596086      4.242299      8.367873
  H      -9.251559      5.970189      9.110401
  H     -11.092370      6.659591      7.589815
  H      -9.591361      3.932000      4.587402
  N      -4.292139      2.498475      3.277570
  H      -3.538448      2.139628      2.687959
  H      -4.559644      3.422108      2.929159
  H      -5.091134      1.855996      3.161687
75
Coordinates from ORCA-job orca E -13784.870801093226
  N      -2.045332      1.351320      5.283897
  Mo     -3.768119      2.328173      5.514767
  N      -4.539561      1.411924      7.078746
  C      -4.205435      1.796919      8.425683
  C      -2.706154      2.103500      8.397951
  N      -2.439798      3.011625      7.251746
  C      -1.034515      2.922617      6.739360
  C      -0.806331      1.615303      5.991314
  C      -2.755141      4.422420      7.615765
  C      -3.078175      5.193324      6.360529
  N      -3.959785      4.351471      5.559695
  H       0.036074      1.736933      5.291207
  H      -0.566806      0.786018      6.675065
  H      -0.898566      3.764165      6.046790
  H      -0.331130      3.060189      7.576125
  H      -3.586819      6.142558      6.581225
  H      -2.176451      5.413923      5.768006
  H      -3.627217      4.395462      8.280762
  H      -1.905631      4.851088      8.172146
  H      -4.390716      0.976240      9.143400
  H      -4.814441      2.658928      8.749213
  H      -2.150774      1.171315      8.223004
  H      -2.325505      2.555505      9.328369
  C      -2.379209      0.201728      4.684852
  N      -3.696750      0.215143      4.505516
  C      -4.492304     -0.654646      3.792123
  O      -5.480794     -0.250095      3.177773
  C      -4.086090     -2.106181      3.818247
  C      -4.391133     -2.898815      2.702918
  C      -4.045733     -4.247016      2.691638
  C      -3.415540     -4.829549      3.792167
  C      -3.141275     -4.030081      4.902416
  Br     -2.301043     -4.821957      6.425462
  C      -3.463728     -2.679637      4.930353
  C      -5.060083      4.899839      5.014619
  N      -5.486075      6.112411      5.293508
  C      -6.555268      6.523797      4.483622
  O      -6.730272      6.160465      3.319492
  C      -7.486493      7.500054      5.144856
  C      -8.537875      8.047490      4.398498
  C      -9.431771      8.924210      5.002374
  C      -9.303177      9.261895      6.350766
  C      -8.255994      8.695212      7.076333
  Br     -8.097727      9.118585      8.937322
  C      -7.343303      7.825529      6.497526
  C      -5.738414      1.621133      6.410130
  N      -6.511769      2.672527      6.799802
  C      -7.540541      2.940387      5.911801
  O      -7.673413      2.450966      4.775916
  C      -8.503206      3.989978      6.404419
  C      -8.400502      4.578257      7.668855
  C      -9.318172      5.542673      8.070803
  C     -10.355358      5.938084      7.221432
  C     -10.437002      5.344398      5.965743
  Br    -11.857913      5.875017      4.787129
  C      -9.534337      4.383568      5.538617
  H      -1.712252     -0.583004      4.299787
  H      -4.901298     -2.441800      1.855541
  H      -4.271897     -4.860263      1.818869
  H      -3.150243     -5.885181      3.789158
  H      -3.261111     -2.085565      5.820841
  H      -5.635956      4.230244      4.364587
  H      -8.640760      7.762673      3.352499
  H     -10.253636      9.350141      4.425690
  H     -10.006211      9.944573      6.825634
  H      -6.532365      7.381246      7.069973
  H      -6.160363      0.809760      5.810875
  H      -7.587693      4.269086      8.323968
  H      -9.234593      6.010733      9.052388
  H     -11.075152      6.693175      7.529150
  H      -9.597778      3.922351      4.553912
  N      -4.372125      2.484730      3.293918
  H      -3.639770      2.119894      2.681244
  H      -4.648867      3.405157      2.943518
  H      -5.174935      1.842368      3.205203
75
Coordinates from ORCA-job orca E -13784.871318178089
  N      -2.055177      1.367741      5.256127
  Mo     -3.780015      2.333740      5.504481
  N      -4.548091      1.396280      7.057917
  C      -4.214412      1.769646      8.407372
  C      -2.715610      2.078343      8.384771
  N      -2.447700      2.999358      7.249698
  C      -1.042093      2.915943      6.737232
  C      -0.815407      1.620652      5.968192
  C      -2.763932      4.406563      7.626145
  C      -3.082246      5.188414      6.377838
  N      -3.964712      4.356479      5.566741
  H       0.025274      1.755361      5.268244
  H      -0.574244      0.780225      6.637229
  H      -0.902544      3.768549      6.059308
  H      -0.339752      3.039695      7.577116
  H      -3.588912      6.137152      6.604565
  H      -2.178863      5.409593      5.788338
  H      -3.637479      4.373404      8.289032
  H      -1.916041      4.828699      8.190033
  H      -4.397811      0.942259      9.117968
  H      -4.822515      2.628594      8.740801
  H      -2.161238      1.147525      8.198567
  H      -2.332611      2.518434      9.319868
  C      -2.382734      0.216480      4.655555
  N      -3.702038      0.215432      4.491340
  C      -4.497455     -0.669623      3.795348
  O      -5.501756     -0.283502      3.194858
  C      -4.071458     -2.115541      3.829064
  C      -4.382920     -2.921831      2.725295
  C      -4.020364     -4.265632      2.720654
  C      -3.366731     -4.830046      3.816833
  C      -3.086999     -4.017132      4.915908
  Br     -2.215028     -4.785173      6.433482
  C      -3.426200     -2.670807      4.937030
  C      -5.064943      4.915135      5.030457
  N      -5.483758      6.128178      5.316790
  C      -6.547656      6.548709      4.501232
  O      -6.712267      6.194660      3.333125
  C      -7.475908      7.529180      5.159461
  C      -8.521014      8.082460      4.408466
  C      -9.409620      8.967711      5.007445
  C      -9.282268      9.308358      6.355240
  C      -8.243046      8.733388      7.085607
  Br     -8.088704      9.158701      8.946573
  C      -7.335366      7.854904      6.512277
  C      -5.744678      1.609003      6.388963
  N      -6.517663      2.661825      6.781157
  C      -7.543916      2.932234      5.888884
  O      -7.671409      2.447320      4.750526
  C      -8.507139      3.978725      6.384842
  C      -8.398566      4.568711      7.647628
  C      -9.314015      5.533919      8.052073
  C     -10.355103      5.928385      7.207084
  C     -10.441858      5.332434      5.952966
  Br    -11.866098      5.865350      4.778366
  C      -9.542918      4.369745      5.522860
  H      -1.713397     -0.566148      4.270737
  H      -4.911267     -2.479523      1.881376
  H      -4.251261     -4.889663      1.856924
  H      -3.087879     -5.882092      3.819117
  H      -3.218769     -2.066647      5.819455
  H      -5.642097      4.251700      4.376971
  H      -8.622267      7.797684      3.362408
  H     -10.225660      9.399790      4.427176
  H      -9.980288      9.999224      6.825489
  H      -6.529676      7.405829      7.088134
  H      -6.168361      0.797776      5.790821
  H      -7.582566      4.261757      8.299564
  H      -9.226278      6.003612      9.032521
  H     -11.073686      6.683239      7.517566
  H      -9.613216      3.904322      4.540699
  N      -4.445739      2.471292      3.314473
  H      -3.734710      2.098148      2.681742
  H      -4.726964      3.389260      2.960532
  H      -5.253788      1.832738      3.247872
75
Coordinates from ORCA-job orca E -13784.871850553629
  N      -2.064228      1.378552      5.230364
  Mo     -3.790144      2.338970      5.493397
  N      -4.558386      1.390500      7.039699
  C      -4.225207      1.755283      8.391095
  C      -2.726267      2.061333      8.372116
  N      -2.453887      2.989705      7.244141
  C      -1.047823      2.906509      6.733341
  C      -0.824608      1.620256      5.948525
  C      -2.767674      4.395654      7.627676
  C      -3.079657      5.185327      6.383782
  N      -3.965185      4.362831      5.565483
  H       0.016769      1.763107      5.250835
  H      -0.585583      0.770589      6.606345
  H      -0.902580      3.767130      6.067026
  H      -0.346679      3.017577      7.576165
  H      -3.582146      6.135296      6.614373
  H      -2.174135      5.404371      5.796829
  H      -3.642902      4.360791      8.288353
  H      -1.920415      4.811367      8.197472
  H      -4.409452      0.923784      9.096782
  H      -4.830604      2.613531      8.731328
  H      -2.175034      1.129938      8.178653
  H      -2.340539      2.492700      9.310186
  C      -2.388868      0.225268      4.631186
  N      -3.708698      0.213831      4.477770
  C      -4.502953     -0.686728      3.799027
  O      -5.520419     -0.319400      3.209365
  C      -4.059549     -2.127587      3.842941
  C      -4.374254     -2.948198      2.750607
  C      -3.997262     -4.288160      2.755300
  C      -3.326041     -4.834602      3.850035
  C      -3.043773     -4.007677      4.937984
  Br     -2.147985     -4.751486      6.453970
  C      -3.397032     -2.664837      4.949548
  C      -5.063283      4.933851      5.036094
  N      -5.471549      6.148444      5.329588
  C      -6.537083      6.578431      4.518591
  O      -6.702893      6.234539      3.347843
  C      -7.466020      7.549667      5.188746
  C      -8.524539      8.094096      4.449975
  C      -9.417514      8.966429      5.061273
  C      -9.280647      9.303771      6.409096
  C      -8.226721      8.739162      7.126297
  Br     -8.059535      9.158728      8.987639
  C      -7.315017      7.872644      6.541139
  C      -5.752907      1.606329      6.368327
  N      -6.524805      2.662663      6.757273
  C      -7.546215      2.933498      5.857899
  O      -7.667605      2.446872      4.719588
  C      -8.508192      3.983707      6.347521
  C      -8.394906      4.585267      7.604314
  C      -9.305195      5.558632      8.000721
  C     -10.345870      5.950024      7.153682
  C     -10.438322      5.340340      5.906655
  Br    -11.862095      5.869535      4.728820
  C      -9.545368      4.368859      5.484080
  H      -1.716201     -0.555928      4.249420
  H      -4.916470     -2.520513      1.907932
  H      -4.230516     -4.923436      1.900407
  H      -3.035832     -5.883554      3.859724
  H      -3.187208     -2.050055      5.824011
  H      -5.646328      4.276611      4.382880
  H      -8.634021      7.811325      3.404200
  H     -10.245108      9.390309      4.491328
  H      -9.983189      9.983024      6.889317
  H      -6.499100      7.430121      7.107544
  H      -6.178018      0.794260      5.772283
  H      -7.578201      4.282879      8.257421
  H      -9.212959      6.038715      8.975789
  H     -11.058715      6.713132      7.457159
  H      -9.621035      3.892446      4.507647
  N      -4.504520      2.460963      3.327225
  H      -3.816648      2.068411      2.680460
  H      -4.776776      3.379195      2.966257
  H      -5.325274      1.837691      3.280690
75
Coordinates from ORCA-job orca E -13784.872253553314
  N      -2.071913      1.387027      5.211626
  Mo     -3.800066      2.338916      5.489880
  N      -4.571353      1.384792      7.030542
  C      -4.236434      1.741908      8.382642
  C      -2.734188      2.042601      8.365484
  N      -2.460181      2.976838      7.243773
  C      -1.054560      2.898144      6.731202
  C      -0.832132      1.621180      5.932481
  C      -2.773530      4.380283      7.636412
  C      -3.082445      5.178064      6.396499
  N      -3.969790      4.363120      5.571931
  H       0.008771      1.772351      5.235889
  H      -0.592470      0.764166      6.580331
  H      -0.908968      3.765945      6.074467
  H      -0.352735      3.000015      7.574680
  H      -3.582788      6.127934      6.631957
  H      -2.175882      5.397969      5.811552
  H      -3.649532      4.341968      8.295913
  H      -1.926796      4.791215      8.210519
  H      -4.422266      0.906902      9.083774
  H      -4.838601      2.600114      8.728710
  H      -2.185447      1.110775      8.166533
  H      -2.346566      2.466908      9.305985
  C      -2.393017      0.232518      4.612180
  N      -3.712930      0.210569      4.468247
  C      -4.504669     -0.701838      3.801856
  O      -5.532735     -0.349475      3.221929
  C      -4.044374     -2.137663      3.848174
  C      -4.359391     -2.966224      2.761948
  C      -3.968167     -4.302109      2.769035
  C      -3.282317     -4.836832      3.860456
  C      -3.000168     -4.002338      4.942598
  Br     -2.084309     -4.730259      6.454400
  C      -3.367427     -2.663282      4.951539
  C      -5.064263      4.943320      5.044358
  N      -5.465015      6.159725      5.339913
  C      -6.526210      6.597315      4.526177
  O      -6.685888      6.260750      3.352563
  C      -7.456262      7.566692      5.197047
  C      -8.515962      8.109125      4.458465
  C      -9.410935      8.979048      5.070128
  C      -9.274754      9.316296      6.418036
  C      -8.219484      8.753789      7.134846
  Br     -8.054075      9.172016      8.996682
  C      -7.305909      7.889330      6.549559
  C      -5.761511      1.601108      6.358811
  N      -6.531021      2.660310      6.746838
  C      -7.549886      2.933992      5.844956
  O      -7.670102      2.447616      4.706301
  C      -8.508814      3.987212      6.333464
  C      -8.387698      4.596059      7.585918
  C      -9.292751      5.574905      7.980477
  C     -10.336323      5.964379      7.136185
  C     -10.437053      5.346454      5.893924
  Br    -11.864819      5.873427      4.719555
  C      -9.549629      4.369327      5.472877
  H      -1.714815     -0.543723      4.230136
  H      -4.913127     -2.548135      1.921998
  H      -4.201638     -4.943479      1.918805
  H      -2.980908     -5.882566      3.872074
  H      -3.157340     -2.042940      5.821946
  H      -5.649961      4.291501      4.388882
  H      -8.624944      7.826719      3.412575
  H     -10.239695      9.401070      4.500552
  H      -9.979227      9.993240      6.898575
  H      -6.489277      7.448123      7.115900
  H      -6.188484      0.789071      5.764118
  H      -7.568471      4.295915      8.236779
  H      -9.194092      6.061108      8.951885
  H     -11.044646      6.732187      7.438206
  H      -9.632724      3.885885      4.500543
  N      -4.573132      2.454206      3.347687
  H      -3.909904      2.046937      2.684391
  H      -4.841652      3.373235      2.985715
  H      -5.403823      1.843852      3.325560
75
Coordinates from ORCA-job orca E -13784.872748105206
  N      -2.082060      1.397058      5.188358
  Mo     -3.811926      2.341370      5.483496
  N      -4.581121      1.377951      7.018441
  C      -4.244475      1.726638      8.371811
  C      -2.741352      2.024546      8.355234
  N      -2.466049      2.965688      7.239993
  C      -1.061046      2.889424      6.726225
  C      -0.841529      1.621985      5.912367
  C      -2.777878      4.367155      7.641030
  C      -3.083789      5.172742      6.405937
  N      -3.974540      4.366284      5.575856
  H      -0.001196      1.781686      5.216859
  H      -0.601828      0.756734      6.548984
  H      -0.913082      3.764611      6.080065
  H      -0.358596      2.980178      7.570561
  H      -3.580571      6.123200      6.646325
  H      -2.176316      5.392040      5.822235
  H      -3.654499      4.326149      8.299607
  H      -1.931255      4.772802      8.219179
  H      -4.430355      0.887611      9.068151
  H      -4.844012      2.583885      8.724873
  H      -2.195294      1.092618      8.148845
  H      -2.350553      2.440833      9.298026
  C      -2.400569      0.240675      4.590257
  N      -3.720531      0.208188      4.456488
  C      -4.509663     -0.718203      3.805324
  O      -5.548844     -0.383284      3.235491
  C      -4.031769     -2.148464      3.857748
  C      -4.346643     -2.987979      2.779888
  C      -3.940595     -4.319460      2.792776
  C      -3.240053     -4.839121      3.882167
  C      -2.958574     -3.994079      4.956249
  Br     -2.022696     -4.701564      6.465632
  C      -3.340353     -2.659064      4.959133
  C      -5.065651      4.957305      5.052331
  N      -5.456968      6.175637      5.351485
  C      -6.516149      6.621821      4.538267
  O      -6.673021      6.293613      3.362045
  C      -7.446491      7.586966      5.214222
  C      -8.511136      8.126169      4.480314
  C      -9.407926      8.990746      5.096835
  C      -9.268482      9.326127      6.444934
  C      -8.207994      8.767137      7.156738
  Br     -8.038878      9.181313      9.019239
  C      -7.292645      7.907671      6.566811
  C      -5.769788      1.596012      6.346074
  N      -6.537923      2.658028      6.732066
  C      -7.551663      2.934756      5.824630
  O      -7.666261      2.449941      4.684519
  C      -8.509886      3.989717      6.309948
  C      -8.385250      4.604905      7.558884
  C      -9.286935      5.588395      7.949427
  C     -10.330909      5.976133      7.104831
  C     -10.435458      5.350986      5.866544
  Br    -11.863213      5.876764      4.691075
  C      -9.551824      4.368926      5.449112
  H      -1.717677     -0.532233      4.209838
  H      -4.911980     -2.582146      1.941674
  H      -4.173854     -4.969307      1.948952
  H      -2.927002     -5.881362      3.898401
  H      -3.130321     -2.030755      5.823781
  H      -5.655881      4.311638      4.395830
  H      -8.622856      7.845309      3.434311
  H     -10.240914      9.409815      4.531247
  H      -9.974862      9.998244      6.929353
  H      -6.472445      7.468597      7.129603
  H      -6.197921      0.783669      5.752555
  H      -7.565446      4.307000      8.209949
  H      -9.185234      6.080051      8.917813
  H     -11.035944      6.748183      7.403624
  H      -9.638904      3.879330      4.480229
  N      -4.632910      2.445229      3.364965
  H      -3.996544      2.014279      2.690290
  H      -4.888506      3.365141      2.995451
  H      -5.478337      1.856022      3.366741
75
Coordinates from ORCA-job orca E -13784.873283750412
  N      -2.092797      1.405953      5.164848
  Mo     -3.824409      2.343128      5.478549
  N      -4.591352      1.371268      7.008191
  C      -4.251989      1.711146      8.362685
  C      -2.747796      2.005579      8.345515
  N      -2.471677      2.953236      7.236251
  C      -1.067585      2.879198      6.720696
  C      -0.851402      1.621374      5.891719
  C      -2.781779      4.352699      7.646036
  C      -3.085806      5.166469      6.416054
  N      -3.980493      4.368798      5.580795
  H      -0.011483      1.789221      5.197502
  H      -0.611874      0.747995      6.517045
  H      -0.917487      3.761534      6.084996
  H      -0.363956      2.958598      7.565310
  H      -3.578785      6.117385      6.662252
  H      -2.177793      5.385713      5.833188
  H      -3.658640      4.308971      8.304173
  H      -1.934969      4.753177      8.227626
  H      -4.437971      0.868061      9.054054
  H      -4.848326      2.567572      8.723161
  H      -2.204813      1.073399      8.131789
  H      -2.353449      2.414064      9.290251
  C      -2.409692      0.248378      4.567592
  N      -3.729259      0.205862      4.443835
  C      -4.514816     -0.734733      3.807756
  O      -5.565236     -0.417958      3.248786
  C      -4.019040     -2.159007      3.865930
  C      -4.332979     -3.009437      2.796366
  C      -3.911756     -4.336198      2.814953
  C      -3.196958     -4.840541      3.902330
  C      -2.916870     -3.985057      4.968432
  Br     -1.961609     -4.671670      6.475447
  C      -3.313491     -2.654347      4.965321
  C      -5.067305      4.970791      5.060106
  N      -5.449124      6.191194      5.361768
  C      -6.504547      6.646631      4.547715
  O      -6.656414      6.327705      3.368362
  C      -7.435953      7.607694      5.227309
  C      -8.503191      8.145337      4.495948
  C      -9.402605      9.004750      5.115854
  C      -9.263048      9.336667      6.464860
  C      -8.199740      8.779534      7.173868
  Br     -8.031197      9.187468      9.037872
  C      -7.281826      7.924959      6.580714
  C      -5.778665      1.591114      6.335968
  N      -6.545372      2.655683      6.720015
  C      -7.554057      2.936237      5.807853
  O      -7.663365      2.453812      4.665855
  C      -8.511636      3.992368      6.290873
  C      -8.383170      4.613018      7.536693
  C      -9.281920      5.600258      7.924454
  C     -10.326961      5.986238      7.080400
  C     -10.435518      5.355048      5.845529
  Br    -11.863913      5.879861      4.670046
  C      -9.555238      4.368911      5.430589
  H      -1.721965     -0.520965      4.188630
  H      -4.909604     -2.616046      1.959937
  H      -4.144185     -4.994476      1.977471
  H      -2.872020     -5.879050      3.923129
  H      -3.103970     -2.018043      5.824194
  H      -5.661753      4.331493      4.401986
  H      -8.615165      7.867188      3.449260
  H     -10.237938      9.422165      4.552513
  H      -9.971903     10.004114      6.952028
  H      -6.459909      7.486766      7.141642
  H      -6.207622      0.778637      5.743056
  H      -7.562340      4.317204      8.187313
  H      -9.176988      6.096543      8.890155
  H     -11.029130      6.761726      7.376990
  H      -9.646477      3.874012      4.464803
  N      -4.689611      2.439661      3.382417
  H      -4.083040      1.980776      2.698739
  H      -4.925960      3.361310      3.004068
  H      -5.552916      1.878487      3.408129
75
Coordinates from ORCA-job orca E -13784.873834832108
  N      -2.103320      1.413870      5.142266
  Mo     -3.836693      2.344568      5.473673
  N      -4.601014      1.365027      6.998629
  C      -4.258704      1.696684      8.354165
  C      -2.753774      1.988064      8.335747
  N      -2.477242      2.941649      7.231751
  C      -1.074102      2.869533      6.714507
  C      -0.861133      1.620613      5.871741
  C      -2.785760      4.339260      7.649486
  C      -3.088458      5.160514      6.424418
  N      -3.987019      4.370967      5.584736
  H      -0.021502      1.795866      5.178883
  H      -0.621820      0.739906      6.486652
  H      -0.921973      3.758284      6.088430
  H      -0.369241      2.938338      7.559137
  H      -3.577792      6.111808      6.676269
  H      -2.180122      5.379866      5.842076
  H      -3.662776      4.293027      8.307304
  H      -1.938745      4.735156      8.234030
  H      -4.444607      0.849859      9.040932
  H      -4.851988      2.552275      8.721681
  H      -2.213737      1.055689      8.115076
  H      -2.355878      2.389398      9.282080
  C      -2.419070      0.255057      4.546450
  N      -3.738134      0.203306      4.431366
  C      -4.519383     -0.751043      3.809426
  O      -5.579035     -0.451678      3.258928
  C      -4.006834     -2.169426      3.873714
  C      -4.317651     -3.030088      2.811423
  C      -3.882294     -4.352257      2.836129
  C      -3.156480     -4.842103      3.922916
  C      -2.879941     -3.976887      4.982019
  Br     -1.909863     -4.643724      6.488590
  C      -3.290382     -2.650347      4.972521
  C      -5.069615      4.983227      5.066567
  N      -5.442309      6.205574      5.370495
  C      -6.494765      6.669817      4.556745
  O      -6.643390      6.359220      3.374792
  C      -7.426547      7.627034      5.240611
  C      -8.497527      8.162409      4.512977
  C      -9.398955      9.016747      5.137016
  C      -9.257412      9.346095      6.486523
  C      -8.190071      8.791696      7.191575
  Br     -8.019153      9.195022      9.056445
  C      -7.270286      7.941821      6.594420
  C      -5.787567      1.586553      6.326871
  N      -6.553101      2.653347      6.708881
  C      -7.556696      2.937641      5.792236
  O      -7.660785      2.457458      4.648380
  C      -8.513785      3.994934      6.272642
  C      -8.382211      4.620620      7.515634
  C      -9.278220      5.611532      7.900377
  C     -10.323687      5.996202      7.056270
  C     -10.435577      5.359464      5.824519
  Br    -11.863829      5.883740      4.648350
  C      -9.558442      4.369287      5.412393
  H      -1.726886     -0.511464      4.169800
  H      -4.903086     -2.648469      1.975663
  H      -4.112184     -5.018423      2.004191
  H      -2.820507     -5.876997      3.948612
  H      -3.083160     -2.006558      5.826346
  H      -5.668300      4.349950      4.407057
  H      -8.611150      7.886268      3.465931
  H     -10.237540      9.431903      4.576827
  H      -9.968203     10.008978      6.977049
  H      -6.445655      7.505213      7.152586
  H      -6.216990      0.773930      5.734282
  H      -7.560784      4.326544      8.166217
  H      -9.170617      6.112051      8.863629
  H     -11.023095      6.775126      7.350421
  H      -9.653175      3.869587      4.449423
  N      -4.738842      2.435734      3.397317
  H      -4.162404      1.947241      2.708084
  H      -4.951791      3.358891      3.008426
  H      -5.620838      1.906627      3.444823
75
Coordinates from ORCA-job orca E -13784.874389366953
  N      -2.113750      1.421229      5.120428
  Mo     -3.848806      2.345755      5.469008
  N      -4.610733      1.358989      6.989510
  C      -4.265336      1.682600      8.345976
  C      -2.759581      1.970686      8.326093
  N      -2.482728      2.929923      7.227147
  C      -1.080580      2.859686      6.708241
  C      -0.870804      1.619507      5.852305
  C      -2.789707      4.325664      7.652760
  C      -3.091282      5.154330      6.432577
  N      -3.993604      4.372812      5.588525
  H      -0.031385      1.801753      5.160884
  H      -0.631807      0.731857      6.457154
  H      -0.926473      3.754508      6.091494
  H      -0.374473      2.918177      7.552717
  H      -3.577075      6.105889      6.690137
  H      -2.182649      5.373990      5.850784
  H      -3.666843      4.276958      8.310294
  H      -1.942474      4.717099      8.240099
  H      -4.451294      0.832191      9.028232
  H      -4.855434      2.537445      8.720366
  H      -2.222571      1.038089      8.098707
  H      -2.358195      2.365068      9.273892
  C      -2.428577      0.261306      4.526014
  N      -3.747057      0.200793      4.418955
  C      -4.523482     -0.766728      3.810329
  O      -5.591690     -0.484300      3.268006
  C      -3.994879     -2.179179      3.880728
  C      -4.302239     -3.049849      2.825591
  C      -3.853107     -4.367349      2.856419
  C      -3.116948     -4.842819      3.942717
  C      -2.844216     -3.968081      4.994911
  Br     -1.860166     -4.615263      6.501130
  C      -3.268134     -2.645784      4.979029
  C      -5.071817      4.995030      5.072492
  N      -5.435756      6.219166      5.378536
  C      -6.484722      6.692192      4.564670
  O      -6.629450      6.389990      3.380076
  C      -7.417114      7.645766      5.252154
  C      -8.490812      8.179622      4.527330
  C      -9.394474      9.029088      5.154836
  C      -9.252191      9.355303      6.505103
  C      -8.181856      8.802895      7.207145
  Br     -8.010272      9.200856      9.073173
  C      -7.259981      7.957545      6.606636
  C      -5.796511      1.582256      6.318396
  N      -6.560819      2.651122      6.698666
  C      -7.559723      2.939321      5.778259
  O      -7.659230      2.461543      4.632536
  C      -8.516207      3.997565      6.256687
  C      -8.381459      4.627482      7.497231
  C      -9.274818      5.621682      7.879689
  C     -10.320832      6.005461      7.035880
  C     -10.436079      5.364079      5.806809
  Br    -11.864295      5.888429      4.630425
  C      -9.561986      4.370255      5.396812
  H      -1.732130     -0.502682      4.151978
  H      -4.895904     -2.679864      1.990411
  H      -4.080187     -5.041230      2.029934
  H      -2.770208     -5.874033      3.973299
  H      -3.063336     -1.994595      5.827806
  H      -5.674419      4.367763      4.411334
  H      -8.605108      7.905900      3.479718
  H     -10.235494      9.442568      4.597052
  H      -9.965066     10.013799      6.998464
  H      -6.433423      7.521976      7.162752
  H      -6.226418      0.769560      5.726020
  H      -7.559364      4.334747      8.147500
  H      -9.164525      6.125746      8.840811
  H     -11.017592      6.787471      7.328175
  H      -9.660184      3.866486      4.436318
  N      -4.785268      2.432281      3.411709
  H      -4.240080      1.913361      2.719304
  H      -4.972885      3.355923      3.010687
  H      -5.685528      1.937831      3.480580
75
Coordinates from ORCA-job orca E -13784.874942423008
  N      -2.125033      1.428858      5.097917
  Mo     -3.861588      2.346932      5.464044
  N      -4.620956      1.353023      6.980219
  C      -4.272099      1.668546      8.337395
  C      -2.765290      1.952876      8.315673
  N      -2.488224      2.917760      7.221907
  C      -1.087275      2.849443      6.700961
  C      -0.881093      1.618406      5.831722
  C      -2.793452      4.311568      7.655641
  C      -3.094033      5.147756      6.440473
  N      -4.000476      4.374574      5.592183
  H      -0.042147      1.807771      5.141524
  H      -0.642233      0.723788      6.426139
  H      -0.931258      3.750348      6.093752
  H      -0.379709      2.897429      7.544985
  H      -3.576052      6.099625      6.703830
  H      -2.185173      5.367510      5.859047
  H      -3.670576      4.260415      8.313060
  H      -1.945827      4.698323      8.245623
  H      -4.458145      0.814657      9.015223
  H      -4.858709      2.522740      8.718777
  H      -2.231557      1.020020      8.081351
  H      -2.360079      2.340074      9.264827
  C      -2.438939      0.267591      4.505287
  N      -3.756827      0.198019      4.406607
  C      -4.527905     -0.782990      3.811716
  O      -5.604608     -0.518152      3.277982
  C      -3.982594     -2.189042      3.888381
  C      -4.286160     -3.070033      2.840721
  C      -3.822715     -4.382479      2.877829
  C      -3.075998     -4.842884      3.963489
  C      -2.807406     -3.958321      5.008460
  Br     -1.809079     -4.584928      6.514123
  C      -3.245342     -2.640637      4.986021
  C      -5.074223      5.006985      5.078619
  N      -5.429023      6.232904      5.387001
  C      -6.474540      6.714997      4.573291
  O      -6.615500      6.421496      3.386083
  C      -7.407435      7.664755      5.264747
  C      -8.483770      8.197484      4.542929
  C      -9.389547      9.041912      5.174231
  C      -9.246524      9.364400      6.525389
  C      -8.173295      8.813562      7.224216
  Br     -8.001095      9.205258      9.091584
  C      -7.249411      7.972934      6.620020
  C      -5.805879      1.578151      6.309815
  N      -6.568654      2.649401      6.688169
  C      -7.561947      2.942112      5.763214
  O      -7.655590      2.467600      4.615195
  C      -8.518246      4.001040      6.239442
  C      -8.381260      4.634650      7.477883
  C      -9.272358      5.631833      7.857865
  C     -10.318447      6.014895      7.013850
  C     -10.436104      5.369414      5.787119
  Br    -11.863623      5.894093      4.609805
  C      -9.564605      4.372315      5.379385
  H      -1.738017     -0.493895      4.134414
  H      -4.888231     -2.712237      2.006254
  H      -4.046735     -5.064315      2.057044
  H      -2.718074     -5.870120      3.999085
  H      -3.043207     -1.981808      5.829520
  H      -5.680990      4.385902      4.415966
  H      -8.598769      7.926625      3.494645
  H     -10.232936      9.454033      4.619008
  H      -9.961406     10.018364      7.021825
  H      -6.421007      7.538057      7.173918
  H      -6.236509      0.765415      5.717798
  H      -7.558914      4.343072      8.128280
  H      -9.160104      6.139033      8.817138
  H     -11.012897      6.799708      7.304171
  H      -9.665548      3.864905      4.421101
  N      -4.833861      2.427221      3.427353
  H      -4.320675      1.879283      2.732849
  H      -4.998254      3.349636      3.013110
  H      -5.749833      1.966949      3.518330
75
Coordinates from ORCA-job orca E -13784.875456522284
  N      -2.136599      1.434902      5.077371
  Mo     -3.874566      2.347489      5.461596
  N      -4.630190      1.345529      6.972832
  C      -4.278663      1.652522      8.331185
  C      -2.772066      1.935090      8.307857
  N      -2.494639      2.905567      7.218852
  C      -1.094755      2.837757      6.697024
  C      -0.892382      1.615229      5.814869
  C      -2.798274      4.297843      7.659656
  C      -3.098081      5.140984      6.449489
  N      -4.008578      4.375830      5.597256
  H      -0.052898      1.811263      5.127071
  H      -0.654904      0.713580      6.398983
  H      -0.935544      3.744205      6.099128
  H      -0.386303      2.874924      7.540969
  H      -3.576226      6.093214      6.718457
  H      -2.189005      5.360722      5.868359
  H      -3.675514      4.244543      8.316808
  H      -1.950436      4.680354      8.252198
  H      -4.464181      0.794728      9.004117
  H      -4.862680      2.505263      8.719769
  H      -2.241065      1.002330      8.066734
  H      -2.363401      2.315566      9.258243
  C      -2.450526      0.273322      4.484988
  N      -3.767207      0.195799      4.394105
  C      -4.532936     -0.797964      3.812490
  O      -5.618864     -0.550600      3.289741
  C      -3.971080     -2.197489      3.893349
  C      -4.272189     -3.087829      2.852902
  C      -3.794911     -4.395237      2.894675
  C      -3.036752     -4.841545      3.978365
  C      -2.770913     -3.948137      5.016411
  Br     -1.757081     -4.555429      6.519756
  C      -3.222392     -2.635057      4.989005
  C      -5.077449      5.017920      5.085072
  N      -5.423476      6.245822      5.393998
  C      -6.464038      6.736277      4.578346
  O      -6.598409      6.451182      3.388346
  C      -7.398351      7.683205      5.270980
  C      -8.475512      8.214779      4.549480
  C      -9.384158      9.055344      5.181855
  C      -9.242947      9.375239      6.533892
  C      -8.168702      8.825895      7.232263
  Br     -7.999588      9.212630      9.101008
  C      -7.242068      7.988907      6.627090
  C      -5.815656      1.573128      6.303362
  N      -6.577130      2.646108      6.680769
  C      -7.566883      2.943118      5.753546
  O      -7.657740      2.471103      4.603811
  C      -8.521457      4.003123      6.229541
  C      -8.377671      4.642191      7.464432
  C      -9.265081      5.642932      7.843730
  C     -10.314342      6.024043      7.002827
  C     -10.438974      5.372672      5.779861
  Br    -11.869977      5.896113      4.606074
  C      -9.571625      4.371653      5.372680
  H      -1.745832     -0.486315      4.117394
  H      -4.883409     -2.741527      2.020269
  H      -4.016965     -5.084288      2.079420
  H      -2.668026     -5.864810      4.017744
  H      -3.021862     -1.969363      5.827457
  H      -5.687725      4.402358      4.421027
  H      -8.589194      7.945934      3.500545
  H     -10.228474      9.466105      4.627064
  H      -9.960399     10.025556      7.031310
  H      -6.413280      7.554721      7.180916
  H      -6.246564      0.760573      5.711016
  H      -7.552639      4.352792      8.112287
  H      -9.147275      6.154657      8.799941
  H     -11.005369      6.812101      7.292559
  H      -9.679048      3.859007      4.417892
  N      -4.869616      2.426395      3.439946
  H      -4.382125      1.855733      2.745172
  H      -5.012238      3.347632      3.014730
  H      -5.798525      1.996695      3.544286
75
Coordinates from ORCA-job orca E -13784.875972040063
  N      -2.148271      1.441633      5.054882
  Mo     -3.888361      2.347900      5.454521
  N      -4.643752      1.338232      6.959591
  C      -4.290513      1.636306      8.319441
  C      -2.783254      1.915472      8.296467
  N      -2.503928      2.892024      7.213497
  C      -1.104395      2.825801      6.692015
  C      -0.904360      1.612949      5.796486
  C      -2.806150      4.282120      7.662126
  C      -3.103098      5.132989      6.456734
  N      -4.017234      4.376543      5.599938
  H      -0.064096      1.816249      5.111625
  H      -0.668042      0.704344      6.370077
  H      -0.941693      3.738306      6.104412
  H      -0.395814      2.851558      7.536381
  H      -3.577023      6.085757      6.731179
  H      -2.193154      5.352343      5.876722
  H      -3.684485      4.226439      8.317688
  H      -1.958832      4.659931      8.258516
  H      -4.477358      0.774847      8.987242
  H      -4.871788      2.488103      8.714299
  H      -2.255147      0.982721      8.048629
  H      -2.372282      2.288131      9.248993
  C      -2.460783      0.278599      4.464803
  N      -3.776558      0.192306      4.378737
  C      -4.533882     -0.815927      3.810110
  O      -5.626410     -0.587448      3.293339
  C      -3.954685     -2.208192      3.898936
  C      -4.246931     -3.108896      2.864896
  C      -3.755291     -4.410751      2.915023
  C      -2.991527     -4.841516      4.001169
  C      -2.734825     -3.938319      5.032951
  Br     -1.713553     -4.524181      6.539907
  C      -3.200521     -2.630338      4.997007
  C      -5.080938      5.028668      5.089501
  N      -5.417651      6.258550      5.399723
  C      -6.455637      6.757164      4.585390
  O      -6.588740      6.478325      3.393747
  C      -7.389083      7.701645      5.281877
  C      -8.471721      8.228698      4.565210
  C      -9.381210      9.065378      5.201611
  C      -9.234954      9.386223      6.552960
  C      -8.154944      8.841963      7.246384
  Br     -7.978936      9.229207      9.114437
  C      -7.227683      8.008430      6.637229
  C      -5.828162      1.568384      6.290325
  N      -6.588341      2.642925      6.667236
  C      -7.575398      2.945061      5.739156
  O      -7.666385      2.474988      4.588049
  C      -8.526505      4.007433      6.215690
  C      -8.373040      4.652997      7.446103
  C      -9.255048      5.658547      7.825346
  C     -10.308489      6.038130      6.989033
  C     -10.443092      5.379858      5.770751
  Br    -11.879282      5.902242      4.602741
  C      -9.581584      4.373646      5.363625
  H      -1.751086     -0.479737      4.103961
  H      -4.862883     -2.775231      2.030574
  H      -3.970442     -5.107770      2.104680
  H      -2.611641     -5.860438      4.047179
  H      -3.006911     -1.957094      5.831066
  H      -5.695764      4.418967      4.424383
  H      -8.589286      7.959125      3.516866
  H     -10.230104      9.472095      4.650805
  H      -9.953327     10.032984      7.053663
  H      -6.394739      7.577656      7.187506
  H      -6.258727      0.756688      5.696338
  H      -7.544542      4.365326      8.090239
  H      -9.129494      6.175427      8.777821
  H     -10.994653      6.830562      7.278564
  H      -9.697547      3.855320      4.412909
  N      -4.909388      2.425132      3.449778
  H      -4.445775      1.837173      2.752985
  H      -5.036219      3.345067      3.016345
  H      -5.848254      2.020861      3.568428
75
Coordinates from ORCA-job orca E -13784.876481509282
  N      -2.157715      1.447394      5.035572
  Mo     -3.900113      2.348460      5.449967
  N      -4.652638      1.328882      6.947821
  C      -4.299455      1.617614      8.310175
  C      -2.793909      1.897493      8.288211
  N      -2.513201      2.880642      7.210865
  C      -1.113579      2.814767      6.691475
  C      -0.915028      1.610425      5.783347
  C      -2.814738      4.268982      7.665697
  C      -3.108413      5.126505      6.464514
  N      -4.025185      4.377529      5.603558
  H      -0.072901      1.820587      5.102773
  H      -0.680719      0.695251      6.347149
  H      -0.946238      3.732573      6.113561
  H      -0.405886      2.829392      7.536936
  H      -3.578380      6.079896      6.743565
  H      -2.197319      5.345478      5.886061
  H      -3.694760      4.211181      8.318878
  H      -1.968607      4.643063      8.266187
  H      -4.486655      0.751929      8.972270
  H      -4.880193      2.467026      8.711023
  H      -2.267071      0.965810      8.033460
  H      -2.381664      2.263007      9.242975
  C      -2.470120      0.283608      4.446487
  N      -3.784153      0.191008      4.362837
  C      -4.534780     -0.828886      3.805450
  O      -5.633070     -0.615729      3.295056
  C      -3.942463     -2.215341      3.901188
  C      -4.227678     -3.124767      2.872868
  C      -3.725350     -4.422262      2.930713
  C      -2.957847     -4.840247      4.019314
  C      -2.708283     -3.928787      5.045459
  Br     -1.682024     -4.496794      6.555995
  C      -3.184525     -2.624772      5.001608
  C      -5.083730      5.037737      5.092889
  N      -5.412763      6.269682      5.401954
  C      -6.446243      6.774981      4.586184
  O      -6.574533      6.502003      3.392609
  C      -7.380644      7.717771      5.283018
  C      -8.465593      8.241231      4.567204
  C      -9.377418      9.075011      5.204158
  C      -9.230851      9.396626      6.555342
  C      -8.148361      8.856318      7.247938
  Br     -7.972309      9.243388      9.116038
  C      -7.218924      8.025543      6.638189
  C      -5.838541      1.562877      6.279179
  N      -6.597736      2.637533      6.658166
  C      -7.584046      2.945787      5.732254
  O      -7.677671      2.479439      4.579182
  C      -8.531394      4.009133      6.212857
  C      -8.365732      4.659980      7.438994
  C      -9.242776      5.668552      7.821812
  C     -10.303398      6.045819      6.993644
  C     -10.450383      5.382087      5.779670
  Br    -11.895813      5.902469      4.622305
  C      -9.594187      4.372611      5.369063
  H      -1.757552     -0.475463      4.092626
  H      -4.846900     -2.801490      2.036874
  H      -3.935047     -5.126008      2.124760
  H      -2.569688     -5.855764      4.071449
  H      -2.996257     -1.945029      5.831644
  H      -5.701899      4.432516      4.426674
  H      -8.583323      7.970992      3.519035
  H     -10.228378      9.478469      4.654150
  H      -9.951286     10.040601      7.056634
  H      -6.384327      7.597424      7.188061
  H      -6.267996      0.752956      5.681707
  H      -7.531601      4.374369      8.076674
  H      -9.107649      6.189462      8.770781
  H     -10.985313      6.840972      7.285913
  H      -9.720573      3.849641      4.422192
  N      -4.927819      2.431944      3.451649
  H      -4.478054      1.833952      2.754324
  H      -5.039256      3.352498      3.014889
  H      -5.874973      2.047065      3.572854
75
Coordinates from ORCA-job orca E -13784.877008391975
  N      -2.167540      1.453777      5.013258
  Mo     -3.912715      2.349004      5.439435
  N      -4.665743      1.320285      6.929836
  C      -4.312995      1.599927      8.294550
  C      -2.807644      1.877736      8.274861
  N      -2.524523      2.867612      7.204260
  C      -1.124290      2.803524      6.687213
  C      -0.926018      1.608968      5.766185
  C      -2.825194      4.253393      7.666612
  C      -3.113796      5.118625      6.469403
  N      -4.033039      4.378061      5.603678
  H      -0.082395      1.826242      5.089656
  H      -0.692952      0.687566      6.320228
  H      -0.952734      3.727165      6.119903
  H      -0.417768      2.806630      7.533829
  H      -3.579429      6.072734      6.753266
  H      -2.201015      5.337047      5.893289
  H      -3.707580      4.193294      8.316459
  H      -1.980662      4.623081      8.272131
  H      -4.502574      0.730629      8.951111
  H      -4.892556      2.447939      8.700201
  H      -2.282443      0.946888      8.013447
  H      -2.395020      2.235216      9.232556
  C      -2.478388      0.287916      4.427759
  N      -3.791063      0.188536      4.343335
  C      -4.531612     -0.844519      3.796233
  O      -5.632838     -0.647917      3.286202
  C      -3.926029     -2.224417      3.904841
  C      -4.197700     -3.144923      2.882774
  C      -3.683845     -4.437275      2.953924
  C      -2.918218     -4.839368      4.049937
  C      -2.682174     -3.917281      5.069678
  Br     -1.658587     -4.462979      6.590351
  C      -3.169922     -2.617964      5.012444
  C      -5.086801      5.046733      5.094355
  N      -5.407656      6.280414      5.404318
  C      -6.438778      6.793176      4.590769
  O      -6.567131      6.525916      3.395823
  C      -7.371807      7.734122      5.291558
  C      -8.461862      8.253756      4.580723
  C      -9.373837      9.084349      5.221752
  C      -9.221896      9.406802      6.572183
  C      -8.134099      8.870857      7.259852
  Br     -7.950559      9.258499      9.127107
  C      -7.204712      8.042975      6.645916
  C      -5.850987      1.557989      6.261244
  N      -6.608954      2.632722      6.642598
  C      -7.594255      2.947918      5.719346
  O      -7.691456      2.485535      4.564210
  C      -8.537180      4.013027      6.203855
  C      -8.359336      4.668711      7.425839
  C      -9.230747      5.680882      7.812132
  C     -10.297803      6.056943      6.991793
  C     -10.457251      5.388301      5.781973
  Br    -11.910945      5.908061      4.634916
  C      -9.606817      4.375129      5.368060
  H      -1.761594     -0.472170      4.084324
  H      -4.815799     -2.834371      2.041091
  H      -3.883017     -5.149568      2.152777
  H      -2.521171     -5.850892      4.112493
  H      -2.992006     -1.929711      5.837829
  H      -5.709654      4.447009      4.427201
  H      -8.583597      7.982780      3.533159
  H     -10.229034      9.484326      4.675735
  H      -9.942611     10.047920      7.076788
  H      -6.366147      7.617854      7.192157
  H      -6.279095      0.750418      5.659453
  H      -7.520114      4.384112      8.057265
  H      -9.086026      6.205388      8.757721
  H     -10.974959      6.855299      7.286637
  H      -9.743106      3.848607      4.424519
  N      -4.955645      2.436425      3.451419
  H      -4.519912      1.831124      2.751476
  H      -5.057524      3.357537      3.013162
  H      -5.908720      2.066548      3.580174
75
Coordinates from ORCA-job orca E -13784.877628934226
  N      -2.176275      1.461380      4.988940
  Mo     -3.924951      2.350409      5.427580
  N      -4.676140      1.309304      6.908968
  C      -4.325324      1.578959      8.276961
  C      -2.821768      1.857598      8.260318
  N      -2.536643      2.855437      7.197013
  C      -1.135374      2.792945      6.683601
  C      -0.936458      1.608846      5.748498
  C      -2.837035      4.238524      7.666730
  C      -3.119456      5.111582      6.473520
  N      -4.040636      4.379415      5.602823
  H      -0.090793      1.834108      5.077142
  H      -0.704732      0.680902      6.292072
  H      -0.958635      3.722737      6.128029
  H      -0.430883      2.783337      7.531899
  H      -3.580521      6.066517      6.762095
  H      -2.204554      5.329461      5.900458
  H      -3.722611      4.175960      8.312066
  H      -1.994918      4.604068      8.278189
  H      -4.516800      0.705361      8.927093
  H      -4.905446      2.424355      8.687400
  H      -2.296881      0.928641      7.991358
  H      -2.409632      2.206743      9.221357
  C      -2.486111      0.292947      4.407563
  N      -3.796704      0.187517      4.319898
  C      -4.527647     -0.858393      3.783776
  O      -5.630445     -0.677323      3.272005
  C      -3.911364     -2.232255      3.908315
  C      -4.167639     -3.164634      2.893133
  C      -3.644312     -4.452197      2.980850
  C      -2.884563     -4.837977      4.086916
  C      -2.663901     -3.904463      5.099576
  Br     -1.648735     -4.427054      6.634079
  C      -3.161092     -2.609479      5.025713
  C      -5.089948      5.055873      5.094814
  N      -5.402938      6.291300      5.405087
  C      -6.431738      6.811273      4.594226
  O      -6.560530      6.549876      3.397912
  C      -7.363568      7.750107      5.299204
  C      -8.459157      8.265387      4.593743
  C      -9.371358      9.092520      5.239083
  C      -9.213661      9.416011      6.588641
  C      -8.120159      8.884976      7.271073
  Br     -7.928576      9.273380      9.137335
  C      -7.190767      8.060323      6.652626
  C      -5.862318      1.551938      6.240551
  N      -6.619287      2.625739      6.626015
  C      -7.603540      2.949436      5.706675
  O      -7.704740      2.493149      4.548544
  C      -8.542217      4.015427      6.196651
  C      -8.351727      4.674856      7.414880
  C      -9.217931      5.689600      7.806319
  C     -10.292321      6.064389      6.995109
  C     -10.464726      5.392057      5.788964
  Br    -11.927983      5.911039      4.654141
  C      -9.619429      4.376400      5.370125
  H      -1.766439     -0.470225      4.076663
  H      -4.781508     -2.867091      2.043615
  H      -3.831452     -5.173645      2.184954
  H      -2.480307     -5.845802      4.162421
  H      -2.995087     -1.911959      5.845895
  H      -5.717782      4.461453      4.427063
  H      -8.585088      7.993479      3.546866
  H     -10.231127      9.488552      4.697324
  H      -9.934666     10.054076      7.096776
  H      -6.347866      7.638668      7.194998
  H      -6.288277      0.747685      5.632618
  H      -7.506741      4.391117      8.039003
  H      -9.063282      6.216739      8.748886
  H     -10.965217      6.865000      7.293873
  H      -9.765776      3.847541      4.429346
  N      -4.973402      2.446537      3.444605
  H      -4.547174      1.836713      2.742750
  H      -5.064485      3.369530      3.007644
  H      -5.932325      2.089902      3.575601
75
Coordinates from ORCA-job orca E -13784.878266804395
  N      -2.185537      1.469255      4.961491
  Mo     -3.937952      2.351973      5.411841
  N      -4.688588      1.297630      6.883691
  C      -4.339853      1.556988      8.254853
  C      -2.837215      1.834817      8.241933
  N      -2.549785      2.841034      7.186866
  C      -1.147261      2.780951      6.677084
  C      -0.947323      1.608658      5.727060
  C      -2.849760      4.220711      7.665606
  C      -3.125227      5.103037      6.476947
  N      -4.048329      4.380617      5.600322
  H      -0.099798      1.842148      5.060911
  H      -0.716633      0.674119      6.259674
  H      -0.965389      3.717418      6.134536
  H      -0.444979      2.757567      7.526966
  H      -3.581424      6.058592      6.771228
  H      -2.207896      5.320769      5.907629
  H      -3.738826      4.155253      8.305905
  H      -2.010273      4.581319      8.283664
  H      -4.534275      0.679140      8.898177
  H      -4.920074      2.400142      8.669859
  H      -2.312735      0.907819      7.965331
  H      -2.426109      2.174989      9.206679
  C      -2.493971      0.298026      4.385132
  N      -3.802588      0.186566      4.292290
  C      -4.521623     -0.873283      3.767061
  O      -5.624973     -0.709381      3.251183
  C      -3.894589     -2.240149      3.912262
  C      -4.132740     -3.187157      2.906347
  C      -3.599324     -4.468979      3.015280
  C      -2.847529     -4.834720      4.133667
  C      -2.644860     -3.887001      5.136747
  Br     -1.641114     -4.381219      6.688171
  C      -3.152141     -2.597231      5.041626
  C      -5.093419      5.065346      5.094880
  N      -5.398466      6.302061      5.406998
  C      -6.424394      6.830516      4.599341
  O      -6.553489      6.576526      3.401326
  C      -7.354538      7.767279      5.309140
  C      -8.453954      8.281152      4.608655
  C      -9.365884      9.105073      5.258636
  C      -9.203657      9.426890      6.608078
  C      -8.106196      8.897821      7.285713
  Br     -7.908243      9.283379      9.151855
  C      -7.177271      8.076181      6.662371
  C      -5.874418      1.545818      6.215452
  N      -6.629998      2.618516      6.605896
  C      -7.612974      2.952135      5.691174
  O      -7.718532      2.503481      4.529509
  C      -8.547213      4.018556      6.188003
  C      -8.344819      4.678882      7.404016
  C      -9.206040      5.695224      7.802493
  C     -10.287237      6.070554      7.000747
  C     -10.471734      5.397614      5.796559
  Br    -11.943708      5.918453      4.674410
  C      -9.631204      4.380594      5.370934
  H      -1.771218     -0.468748      4.068968
  H      -4.740725     -2.905515      2.047151
  H      -3.772299     -5.201746      2.226501
  H      -2.435625     -5.838107      4.225735
  H      -3.000034     -1.888070      5.854607
  H      -5.726588      4.477319      4.426023
  H      -8.583122      8.010384      3.561827
  H     -10.228872      9.499448      4.720746
  H      -9.924498     10.062214      7.119960
  H      -6.331352      7.655805      7.201161
  H      -6.298257      0.745608      5.600535
  H      -7.494559      4.394350      8.020626
  H      -9.042057      6.222675      8.743314
  H     -10.956204      6.872511      7.304967
  H      -9.786728      3.852030      4.431423
  N      -4.996393      2.456807      3.436075
  H      -4.579995      1.843578      2.731298
  H      -5.079037      3.381754      3.001424
  H      -5.959955      2.111841      3.572008
75
Coordinates from ORCA-job orca E -13784.878923761027
  N      -2.193093      1.478141      4.933114
  Mo     -3.949857      2.354213      5.395171
  N      -4.697501      1.285132      6.857421
  C      -4.351665      1.535077      8.231940
  C      -2.850877      1.814496      8.222639
  N      -2.562165      2.829079      7.175224
  C      -1.158324      2.771578      6.669335
  C      -0.956580      1.610873      5.704806
  C      -2.862538      4.205481      7.662050
  C      -3.131254      5.096218      6.477729
  N      -4.055796      4.382494      5.595785
  H      -0.107307      1.852882      5.044004
  H      -0.726265      0.670239      6.226792
  H      -0.971526      3.714451      6.139702
  H      -0.458538      2.734811      7.520813
  H      -3.583049      6.052256      6.777302
  H      -2.211562      5.314078      5.912186
  H      -3.755315      4.137057      8.296924
  H      -2.026105      4.561958      8.286708
  H      -4.548054      0.652987      8.868666
  H      -4.933369      2.375285      8.650928
  H      -2.325576      0.890160      7.938619
  H      -2.441265      2.146704      9.190855
  C      -2.500451      0.303459      4.362561
  N      -3.806763      0.186347      4.263158
  C      -4.515422     -0.886790      3.750229
  O      -5.617981     -0.738723      3.228337
  C      -3.880459     -2.247308      3.918127
  C      -4.100283     -3.209098      2.922210
  C      -3.559528     -4.485685      3.054403
  C      -2.818754     -4.831775      4.186461
  C      -2.634405     -3.869708      5.179289
  Br     -1.646666     -4.335962      6.749599
  C      -3.149027     -2.584665      5.060884
  C      -5.097953      5.074227      5.093791
  N      -5.395836      6.311868      5.408327
  C      -6.421310      6.848115      4.606802
  O      -6.554403      6.601192      3.407592
  C      -7.348390      7.782123      5.324261
  C      -8.454268      8.293701      4.632336
  C      -9.364358      9.113829      5.289871
  C      -9.193363      9.434320      6.638588
  C      -8.089301      8.908236      7.307823
  Br     -7.878826      9.291758      9.172979
  C      -7.162447      8.090109      6.676633
  C      -5.884064      1.538802      6.189243
  N      -6.638929      2.609927      6.584436
  C      -7.619958      2.952570      5.673545
  O      -7.728784      2.510770      4.508598
  C      -8.550442      4.019896      6.175032
  C      -8.338416      4.681964      7.388671
  C      -9.195073      5.700566      7.791559
  C     -10.281217      6.076211      6.996745
  C     -10.475690      5.401715      5.794829
  Br    -11.953880      5.923840      4.682036
  C      -9.639330      4.382795      5.365022
  H      -1.776076     -0.468390      4.062138
  H      -4.700020     -2.943069      2.052203
  H      -3.718102     -5.229866      2.273245
  H      -2.401390     -5.831129      4.296690
  H      -3.011442     -1.863767      5.866207
  H      -5.736755      4.492059      4.424590
  H      -8.589882      8.023817      3.586033
  H     -10.232592      9.505819      4.758638
  H      -9.912753     10.066443      7.156578
  H      -6.311406      7.671799      7.209102
  H      -6.305211      0.742668      5.567027
  H      -7.484150      4.396878      7.999564
  H      -9.023318      6.229182      8.730364
  H     -10.946509      6.880103      7.304230
  H      -9.801999      3.854206      4.426668
  N      -5.012119      2.469507      3.423183
  H      -4.602685      1.853747      2.716551
  H      -5.085274      3.396783      2.991679
  H      -5.980358      2.135541      3.561167
75
Coordinates from ORCA-job orca E -13784.879587519936
  N      -2.201256      1.486928      4.902379
  Mo     -3.962458      2.356768      5.375609
  N      -4.708530      1.271209      6.826847
  C      -4.365808      1.510572      8.204798
  C      -2.866173      1.789892      8.200181
  N      -2.575680      2.813794      7.161941
  C      -1.170253      2.759546      6.660277
  C      -0.966494      1.612056      5.679984
  C      -2.876359      4.186025      7.659072
  C      -3.137237      5.087277      6.480134
  N      -4.062940      4.384313      5.591066
  H      -0.115480      1.862932      5.024848
  H      -0.736563      0.665004      6.190456
  H      -0.978218      3.709422      6.145279
  H      -0.473336      2.707778      7.513315
  H      -3.584307      6.043460      6.786359
  H      -2.214654      5.305790      5.919495
  H      -3.773272      4.114009      8.287740
  H      -2.043330      4.537110      8.291355
  H      -4.565327      0.623929      8.833961
  H      -4.948353      2.348057      8.628093
  H      -2.340305      0.868370      7.908163
  H      -2.458638      2.112904      9.172413
  C      -2.507488      0.309234      4.337656
  N      -3.811632      0.186759      4.229939
  C      -4.507742     -0.900690      3.729725
  O      -5.609130     -0.770437      3.200965
  C      -3.864275     -2.253537      3.923479
  C      -4.064727     -3.232276      2.940190
  C      -3.515880     -4.502407      3.098710
  C      -2.786303     -4.825397      4.244894
  C      -2.621137     -3.846797      5.224777
  Br     -1.649475     -4.280228      6.814417
  C      -3.143909     -2.567636      5.080026
  C      -5.101302      5.084054      5.092388
  N      -5.392159      6.322251      5.410047
  C      -6.413866      6.867716      4.611780
  O      -6.546451      6.629566      3.410572
  C      -7.339455      7.799418      5.334050
  C      -8.446292      8.313559      4.645629
  C      -9.356191      9.130479      5.307563
  C      -9.183649      9.445251      6.657438
  C      -8.078517      8.917179      7.323395
  Br     -7.865783      9.292363      9.189922
  C      -7.152027      8.102165      6.687471
  C      -5.894487      1.532152      6.158965
  N      -6.647513      2.601715      6.560978
  C      -7.626735      2.956981      5.655862
  O      -7.739738      2.526496      4.486092
  C      -8.553424      4.022760      6.167126
  C      -8.332667      4.679222      7.382468
  C      -9.186044      5.696394      7.796146
  C     -10.277439      6.075972      7.010571
  C     -10.480644      5.407682      5.806440
  Br    -11.965660      5.935978      4.706425
  C      -9.647183      4.390600      5.366177
  H      -1.781936     -0.468401      4.054731
  H      -4.656035     -2.984541      2.059013
  H      -3.659269     -5.259717      2.327259
  H      -2.362845     -5.819733      4.375675
  H      -3.021549     -1.833112      5.875533
  H      -5.745133      4.509052      4.421321
  H      -8.582830      8.047861      3.598334
  H     -10.225371      9.523906      4.778917
  H      -9.902839     10.074749      7.178963
  H      -6.300218      7.682128      7.217492
  H      -6.313607      0.741383      5.528373
  H      -7.474539      4.390294      7.986169
  H      -9.007545      6.220017      8.736477
  H     -10.940388      6.878590      7.326598
  H      -9.816373      3.867576      4.425822
  N      -5.031571      2.483609      3.409237
  H      -4.629409      1.866129      2.699981
  H      -5.096426      3.413350      2.981731
  H      -6.003826      2.159784      3.550878
75
Coordinates from ORCA-job orca E -13784.880239718683
  N      -2.207826      1.496300      4.871356
  Mo     -3.974451      2.359086      5.355640
  N      -4.716343      1.256950      6.796837
  C      -4.377262      1.487787      8.178051
  C      -2.879445      1.769540      8.177327
  N      -2.588658      2.801948      7.146765
  C      -1.181757      2.751566      6.649128
  C      -0.974880      1.616364      5.654614
  C      -2.890898      4.170391      7.652366
  C      -3.144940      5.080381      6.478206
  N      -4.071300      4.386129      5.583306
  H      -0.122455      1.876223      5.004930
  H      -0.744172      0.663912      6.154678
  H      -0.985623      3.707789      6.147626
  H      -0.487613      2.686517      7.503511
  H      -3.588299      6.036442      6.790293
  H      -2.219860      5.300055      5.922049
  H      -3.791884      4.094728      8.274823
  H      -2.061601      4.517565      8.291774
  H      -4.578403      0.596979      8.800600
  H      -4.962040      2.322022      8.604703
  H      -2.351752      0.851343      7.878203
  H      -2.474167      2.085320      9.152929
  C      -2.512820      0.314724      4.313541
  N      -3.814367      0.186730      4.196470
  C      -4.499630     -0.914509      3.711020
  O      -5.599105     -0.801304      3.174773
  C      -3.850134     -2.260143      3.932241
  C      -4.032514     -3.255967      2.962777
  C      -3.478374     -4.520060      3.148914
  C      -2.761533     -4.820210      4.309388
  C      -2.614285     -3.824932      5.275198
  Br     -1.660650     -4.225888      6.884140
  C      -3.142447     -2.551262      5.102815
  C      -5.107739      5.092313      5.089453
  N      -5.392138      6.330637      5.411499
  C      -6.414960      6.884569      4.622390
  O      -6.554392      6.654942      3.420111
  C      -7.335566      7.812942      5.355445
  C      -8.449093      8.327644      4.678323
  C      -9.355013      9.140606      5.350762
  C      -9.171320      9.451065      6.700228
  C      -8.059385      8.923270      7.355037
  Br     -7.830534      9.292810      9.220754
  C      -7.137122      8.111860      6.708258
  C      -5.902643      1.523788      6.128760
  N      -6.655004      2.591670      6.535590
  C      -7.631781      2.955942      5.634160
  O      -7.747678      2.532167      4.461269
  C      -8.554755      4.023137      6.149027
  C      -8.326908      4.679970      7.363121
  C      -9.175772      5.699857      7.779878
  C     -10.269631      6.081469      6.998761
  C     -10.480372      5.412965      5.795879
  Br    -11.968060      5.944807      4.701913
  C      -9.650829      4.393698      5.352756
  H      -1.787325     -0.469537      4.048444
  H      -4.614261     -3.026269      2.070317
  H      -3.607568     -5.290623      2.388062
  H      -2.334117     -5.809846      4.461743
  H      -3.034638     -1.802972      5.887640
  H      -5.757300      4.523735      4.417864
  H      -8.593882      8.065165      3.631250
  H     -10.229553      9.533871      4.830810
  H      -9.887290     10.077283      7.230241
  H      -6.279991      7.691840      7.229840
  H      -6.319042      0.737481      5.490597
  H      -7.466595      4.389101      7.962906
  H      -8.991202      6.223793      8.718903
  H     -10.928880      6.886443      7.316869
  H      -9.824882      3.872062      4.412461
  N      -5.045524      2.497775      3.391856
  H      -4.648817      1.878077      2.681456
  H      -5.100389      3.429819      2.967948
  H      -6.022164      2.184763      3.534977
75
Coordinates from ORCA-job orca E -13784.880917143832
  N      -2.215506      1.505960      4.837154
  Mo     -3.987903      2.361885      5.331978
  N      -4.726942      1.239896      6.760347
  C      -4.392091      1.460058      8.145232
  C      -2.895709      1.742866      8.150179
  N      -2.604005      2.785706      7.129830
  C      -1.195188      2.740298      6.637143
  C      -0.984571      1.619821      5.626297
  C      -2.908142      4.149080      7.646807
  C      -3.153437      5.070643      6.478970
  N      -4.079747      4.387930      5.575420
  H      -0.130751      1.889818      4.982738
  H      -0.752856      0.661330      6.114304
  H      -0.994499      3.703787      6.151719
  H      -0.504501      2.659694      7.492970
  H      -3.592757      6.026128      6.798558
  H      -2.224956      5.292088      5.929147
  H      -3.814070      4.068760      8.261503
  H      -2.083426      4.490633      8.295173
  H      -4.596149      0.564361      8.759517
  H      -4.978613      2.290945      8.575981
  H      -2.366351      0.828472      7.842546
  H      -2.493499      2.049233      9.130069
  C      -2.519038      0.320893      4.286383
  N      -3.818143      0.187280      4.157711
  C      -4.489791     -0.929490      3.688701
  O      -5.586593     -0.836489      3.143407
  C      -3.832838     -2.265832      3.940875
  C      -3.995181     -3.280858      2.988008
  C      -3.434569     -4.537138      3.205046
  C      -2.731092     -4.810454      4.380344
  C      -2.603559     -3.796427      5.329256
  Br     -1.668300     -4.159442      6.957811
  C      -3.138387     -2.529958      5.125986
  C      -5.112655      5.102126      5.085573
  N      -5.390487      6.340289      5.412451
  C      -6.409915      6.904498      4.628379
  O      -6.550391      6.684885      3.424156
  C      -7.327596      7.830419      5.368116
  C      -8.440978      8.351397      4.695638
  C      -9.345169      9.161317      5.374227
  C      -9.159496      9.462490      6.725551
  C      -8.047603      8.929095      7.375952
  Br     -7.815761      9.285644      9.243757
  C      -7.127229      8.120645      6.722619
  C      -5.912286      1.515636      6.092436
  N      -6.662144      2.581989      6.507299
  C      -7.636565      2.960923      5.612445
  O      -7.756607      2.550796      4.434114
  C      -8.555628      4.025825      6.138688
  C      -8.321542      4.672362      7.357373
  C      -9.167577      5.689546      7.786763
  C     -10.264593      6.078457      7.013815
  C     -10.481573      5.420935      5.805796
  Br    -11.973348      5.963251      4.723480
  C      -9.654361      4.404895      5.350428
  H      -1.794272     -0.470803      4.041215
  H      -4.566866     -3.072213      2.083900
  H      -3.548091     -5.322632      2.457031
  H      -2.298703     -5.793947      4.556829
  H      -3.046611     -1.766123      5.897835
  H      -5.767073      4.541642      4.411409
  H      -8.587034      8.095849      3.646985
  H     -10.219748      9.558933      4.857637
  H      -9.873982     10.086264      7.260507
  H      -6.270208      7.696109      7.240872
  H      -6.327085      0.735813      5.445070
  H      -7.459092      4.374806      7.950862
  H      -8.978146      6.204787      8.729614
  H     -10.921893      6.881122      7.341915
  H      -9.832901      3.892572      4.405832
  N      -5.063049      2.513793      3.372744
  H      -4.672084      1.892370      2.660688
  H      -5.108348      3.448229      2.953064
  H      -6.043752      2.211141      3.518375
75
Coordinates from ORCA-job orca E -13784.881609892185
  N      -2.222695      1.516441      4.799510
  Mo     -4.002123      2.364124      5.305173
  N      -4.736465      1.220461      6.720125
  C      -4.406460      1.430496      8.108731
  C      -2.911840      1.716029      8.119197
  N      -2.620492      2.769835      7.109139
  C      -1.209722      2.731126      6.621418
  C      -0.993838      1.626007      5.594311
  C      -2.928074      4.127669      7.637585
  C      -3.164950      5.060842      6.476544
  N      -4.090429      4.389246      5.564066
  H      -0.139090      1.907309      4.956987
  H      -0.759575      0.661986      6.070186
  H      -1.005868      3.701938      6.152306
  H      -0.522415      2.635615      7.478407
  H      -3.601186      6.015091      6.804085
  H      -2.233124      5.285256      5.933521
  H      -3.839191      4.041775      8.243866
  H      -2.108647      4.464134      8.295344
  H      -4.612486      0.529742      8.714682
  H      -4.995729      2.257385      8.543363
  H      -2.379817      0.806156      7.802822
  H      -2.513014      2.013444      9.103258
  C      -2.524236      0.327378      4.256478
  N      -3.820305      0.187598      4.114190
  C      -4.478102     -0.945346      3.664408
  O      -5.571834     -0.874318      3.109953
  C      -3.815486     -2.271295      3.953282
  C      -3.957612     -3.308473      3.021354
  C      -3.392350     -4.555860      3.274672
  C      -2.704265     -4.798187      4.465944
  C      -2.596525     -3.762440      5.393569
  Br     -1.681920     -4.081732      7.042839
  C      -3.136227     -2.504237      5.154009
  C      -5.120917      5.111014      5.079843
  N      -5.392380      6.348334      5.413830
  C      -6.412139      6.923420      4.640395
  O      -6.559806      6.715168      3.434790
  C      -7.323343      7.845682      5.392764
  C      -8.440849      8.372835      4.732050
  C      -9.339580      9.178819      5.422745
  C      -9.143823      9.470053      6.774903
  C      -8.027710      8.931437      7.413719
  Br     -7.781153      9.274796      9.282078
  C      -7.113028      8.126598      6.747852
  C      -5.921086      1.504869      6.052052
  N      -6.669050      2.569560      6.474021
  C      -7.640786      2.961049      5.584700
  O      -7.764764      2.561166      4.402247
  C      -8.555126      4.026469      6.118018
  C      -8.315161      4.667082      7.339003
  C      -9.156412      5.685528      7.775339
  C     -10.254374      6.081209      7.007215
  C     -10.477614      5.429937      5.796765
  Br    -11.969930      5.982227      4.721221
  C      -9.654467      4.413324      5.334734
  H      -1.800754     -0.471821      4.031659
  H      -4.517707     -3.123892      2.104780
  H      -3.490054     -5.358684      2.542908
  H      -2.268287     -5.774666      4.670749
  H      -3.060594     -1.722259      5.909389
  H      -5.780694      4.559059      4.403280
  H      -8.594375      8.124814      3.682582
  H     -10.217485      9.580660      4.915059
  H      -9.853832     10.090638      7.319612
  H      -6.252711      7.697845      7.257295
  H      -6.333825      0.731486      5.395389
  H      -7.451882      4.363592      7.928410
  H      -8.961806      6.196075      8.719729
  H     -10.907820      6.885043      7.340453
  H      -9.836809      3.907416      4.387377
  N      -5.078575      2.530873      3.348935
  H      -4.692336      1.907522      2.635956
  H      -5.112827      3.467747      2.933713
  H      -6.063636      2.239386      3.495670
75
Coordinates from ORCA-job orca E -13784.882349665519
  N      -2.229860      1.528586      4.756159
  Mo     -4.016998      2.367239      5.272587
  N      -4.745729      1.196710      6.670545
  C      -4.421398      1.394494      8.063430
  C      -2.928923      1.683286      8.080941
  N      -2.638444      2.750782      7.084083
  C      -1.225407      2.720933      6.602107
  C      -1.002966      1.634011      5.556420
  C      -2.950702      4.101443      7.626985
  C      -3.177825      5.048996      6.474782
  N      -4.101307      4.390922      5.550651
  H      -0.147969      1.928909      4.925785
  H      -0.764590      0.664058      6.018125
  H      -1.018982      3.700011      6.151905
  H      -0.541854      2.608798      7.460040
  H      -3.611319      6.001110      6.812143
  H      -2.241970      5.277711      5.940470
  H      -3.867804      4.008371      8.223142
  H      -2.137683      4.431432      8.295960
  H      -4.629674      0.487709      8.659260
  H      -5.013847      2.216579      8.502757
  H      -2.393657      0.779167      7.753650
  H      -2.534212      1.969401      9.070021
  C      -2.529028      0.335574      4.220965
  N      -3.821826      0.189383      4.062167
  C      -4.464406     -0.960926      3.634949
  O      -5.552663     -0.914630      3.067328
  C      -3.797608     -2.274169      3.968122
  C      -3.915227     -3.336676      3.061769
  C      -3.346685     -4.572868      3.358964
  C      -2.679728     -4.778593      4.569197
  C      -2.596133     -3.718030      5.470795
  Br     -1.709745     -3.985762      7.144478
  C      -3.139403     -2.470378      5.187410
  C      -5.128445      5.121457      5.072108
  N      -5.393725      6.357248      5.414932
  C      -6.411734      6.944967      4.651266
  O      -6.564500      6.749986      3.443837
  C      -7.317014      7.863164      5.415686
  C      -8.434823      8.401225      4.764399
  C      -9.328810      9.202888      5.466440
  C      -9.127553      9.478924      6.821046
  C      -8.011029      8.930346      7.450666
  Br     -7.756260      9.253051      9.321547
  C      -7.101261      8.129665      6.772955
  C      -5.929253      1.492758      6.002974
  N      -6.674125      2.555490      6.435068
  C      -7.643015      2.963763      5.553509
  O      -7.771422      2.579507      4.365282
  C      -8.552809      4.026738      6.099240
  C      -8.309151      4.652625      7.327451
  C      -9.147004      5.668366      7.777047
  C     -10.244990      6.075675      7.015109
  C     -10.472042      5.439821      5.796981
  Br    -11.963826      6.008573      4.730451
  C      -9.651607      4.426604      5.322125
  H      -1.807027     -0.470946      4.017438
  H      -4.459248     -3.180272      2.130362
  H      -3.425141     -5.395559      2.647151
  H      -2.241225     -5.746215      4.808171
  H      -3.083605     -1.667649      5.922594
  H      -5.792977      4.579838      4.391273
  H      -8.592376      8.164676      3.712819
  H     -10.207052      9.612689      4.965705
  H      -9.833607     10.096077      7.374844
  H      -6.240676      7.692989      7.275354
  H      -6.340709      0.727927      5.335236
  H      -7.446142      4.338968      7.912030
  H      -8.949234      6.166925      8.727177
  H     -10.895873      6.877382      7.358661
  H      -9.836129      3.933841      4.368259
  N      -5.093718      2.551379      3.319930
  H      -4.710647      1.927558      2.605653
  H      -5.117435      3.491169      2.910728
  H      -6.082806      2.269404      3.466953
75
Coordinates from ORCA-job orca E -13784.885129167054
  N      -2.211251      1.545311      4.717869
  Mo     -4.019962      2.372131      5.229676
  N      -4.732345      1.168665      6.614220
  C      -4.421044      1.369950      8.014230
  C      -2.931921      1.667978      8.039444
  N      -2.652154      2.745832      7.046658
  C      -1.235829      2.741905      6.577970
  C      -0.989779      1.669106      5.524039
  C      -2.984697      4.087550      7.602129
  C      -3.203172      5.053372      6.459646
  N      -4.112389      4.403170      5.512770
  H      -0.131940      1.974992      4.903002
  H      -0.742784      0.700307      5.984593
  H      -1.041220      3.728156      6.139278
  H      -0.555579      2.626064      7.438362
  H      -3.645652      5.995983      6.811698
  H      -2.259327      5.303747      5.948575
  H      -3.912339      3.981831      8.179886
  H      -2.186041      4.419836      8.287795
  H      -4.630237      0.459716      8.603053
  H      -5.021979      2.187839      8.449702
  H      -2.386082      0.771028      7.711673
  H      -2.552827      1.954526      9.034665
  C      -2.503703      0.348126      4.191394
  N      -3.793903      0.191982      3.993068
  C      -4.415176     -0.967079      3.562693
  O      -5.474711     -0.934995      2.937921
  C      -3.789635     -2.276362      3.968956
  C      -3.868154     -3.368567      3.093812
  C      -3.328308     -4.598834      3.463895
  C      -2.730008     -4.767956      4.716590
  C      -2.684168     -3.678558      5.585740
  Br     -1.891896     -3.892376      7.313904
  C      -3.198886     -2.435925      5.230156
  C      -5.134128      5.145435      5.035122
  N      -5.394787      6.376560      5.389113
  C      -6.410319      6.986472      4.648905
  O      -6.583088      6.805792      3.440426
  C      -7.304619      7.895266      5.436284
  C      -8.438487      8.432837      4.812150
  C      -9.329692      9.216348      5.539852
  C      -9.104898      9.478030      6.894717
  C      -7.968264      8.940185      7.496858
  Br     -7.673308      9.251865      9.364096
  C      -7.064890      8.153422      6.792948
  C      -5.911800      1.466696      5.939514
  N      -6.663639      2.521171      6.372281
  C      -7.640650      2.940856      5.514268
  O      -7.781382      2.575218      4.319615
  C      -8.552342      3.991298      6.081743
  C      -8.322402      4.572236      7.336683
  C      -9.158852      5.580431      7.809696
  C     -10.236745      6.029429      7.041951
  C     -10.453172      5.438941      5.797968
  Br    -11.912180      6.068392      4.723861
  C      -9.636295      4.429469      5.304297
  H      -1.764477     -0.448107      4.009677
  H      -4.358002     -3.238321      2.128512
  H      -3.374837     -5.445135      2.776560
  H      -2.314018     -5.730658      5.012120
  H      -3.173679     -1.606640      5.937637
  H      -5.806234      4.625444      4.343395
  H      -8.614011      8.204219      3.761122
  H     -10.222814      9.619965      5.060102
  H      -9.808799     10.076997      7.471371
  H      -6.190290      7.721454      7.275606
  H      -6.314672      0.701929      5.263589
  H      -7.470857      4.229126      7.922408
  H      -8.968615      6.044244      8.779205
  H     -10.879877      6.833152      7.398712
  H      -9.808958      3.975291      4.329137
  N      -5.094457      2.562909      3.270512
  H      -4.713293      1.924973      2.567031
  H      -5.102938      3.500810      2.856745
  H      -6.089731      2.300155      3.423695
75
Coordinates from ORCA-job orca E -13784.887004216584
  N      -2.207331      1.552125      4.680602
  Mo     -4.042421      2.361756      5.202714
  N      -4.710310      1.121591      6.585559
  C      -4.399504      1.337492      7.988863
  C      -2.915893      1.657581      8.004265
  N      -2.668164      2.741016      7.004454
  C      -1.254292      2.772143      6.535500
  C      -0.987137      1.707090      5.479744
  C      -3.025887      4.073634      7.570426
  C      -3.256660      5.054228      6.438162
  N      -4.156107      4.404575      5.478425
  H      -0.133116      2.022087      4.858730
  H      -0.722805      0.744509      5.945399
  H      -1.084879      3.763456      6.098365
  H      -0.566937      2.663724      7.391187
  H      -3.712418      5.982530      6.810390
  H      -2.312744      5.335762      5.942900
  H      -3.956782      3.951649      8.139434
  H      -2.236907      4.417546      8.261841
  H      -4.597580      0.424651      8.575980
  H      -5.010948      2.148411      8.420984
  H      -2.354349      0.770955      7.678072
  H      -2.547827      1.955851      9.000119
  C      -2.494619      0.352085      4.165289
  N      -3.781362      0.177528      3.940125
  C      -4.374179     -0.990947      3.507350
  O      -5.402448     -0.979493      2.825790
  C      -3.779075     -2.289682      3.970372
  C      -3.825584     -3.412376      3.132248
  C      -3.304440     -4.629675      3.568225
  C      -2.757048     -4.754189      4.850461
  C      -2.740619     -3.635078      5.681620
  Br     -2.020762     -3.783468      7.448167
  C      -3.235856     -2.403869      5.260119
  C      -5.181116      5.151065      5.010725
  N      -5.447413      6.371965      5.384699
  C      -6.454159      7.013354      4.672519
  O      -6.609627      6.905305      3.450852
  C      -7.329479      7.914451      5.488016
  C      -8.438132      8.517156      4.877647
  C      -9.312253      9.300158      5.628139
  C      -9.092608      9.495985      6.995875
  C      -7.983198      8.894074      7.587907
  Br     -7.690611      9.121314      9.467785
  C      -7.098556      8.107174      6.858878
  C      -5.891298      1.414747      5.911379
  N      -6.644260      2.468038      6.330248
  C      -7.614814      2.898927      5.483272
  O      -7.757947      2.535939      4.285407
  C      -8.513299      3.965265      6.041451
  C      -8.288771      4.535280      7.304982
  C      -9.109947      5.560743      7.771800
  C     -10.166315      6.036029      6.989910
  C     -10.379650      5.459108      5.737761
  Br    -11.804608      6.125695      4.646355
  C      -9.575594      4.433158      5.252618
  H      -1.732772     -0.427795      4.003944
  H      -4.275481     -3.314700      2.143675
  H      -3.325191     -5.500378      2.910389
  H      -2.356330     -5.706696      5.197358
  H      -3.234264     -1.546331      5.934220
  H      -5.861675      4.653958      4.307918
  H      -8.607353      8.340641      3.815234
  H     -10.184529      9.754596      5.155553
  H      -9.779581     10.096879      7.591882
  H      -6.243682      7.628139      7.333034
  H      -6.287975      0.645704      5.233793
  H      -7.452905      4.169086      7.899861
  H      -8.921904      6.014393      8.746835
  H     -10.798290      6.851408      7.340872
  H      -9.744060      3.989145      4.271898
  N      -5.147582      2.545331      3.249337
  H      -4.767960      1.896011      2.555959
  H      -5.161679      3.480557      2.830496
  H      -6.141742      2.286531      3.426182
75
Coordinates from ORCA-job orca E -13784.888117110218
  N      -2.185410      1.555573      4.669894
  Mo     -4.037237      2.368692      5.179430
  N      -4.697777      1.100525      6.546140
  C      -4.403182      1.318146      7.954590
  C      -2.922737      1.651312      7.984359
  N      -2.678434      2.738508      6.986218
  C      -1.261117      2.784294      6.531626
  C      -0.976167      1.720351      5.478722
  C      -3.050796      4.065810      7.556813
  C      -3.267263      5.058344      6.431287
  N      -4.149669      4.419379      5.449274
  H      -0.116050      2.036374      4.866955
  H      -0.711769      0.759890      5.949995
  H      -1.097526      3.777259      6.095521
  H      -0.579336      2.678746      7.391727
  H      -3.732204      5.978465      6.812609
  H      -2.316461      5.355013      5.958807
  H      -3.991514      3.938043      8.107470
  H      -2.274812      4.408836      8.262857
  H      -4.603291      0.401426      8.534720
  H      -5.025318      2.123936      8.379360
  H      -2.348595      0.771009      7.664537
  H      -2.572499      1.955374      8.984645
  C      -2.472854      0.358469      4.153200
  N      -3.750584      0.188115      3.889252
  C      -4.328660     -0.978595      3.440535
  O      -5.320263     -0.967181      2.704157
  C      -3.776104     -2.275164      3.953778
  C      -3.807298     -3.420481      3.146695
  C      -3.322992     -4.631859      3.637359
  C      -2.828746     -4.727444      4.943284
  C      -2.826369     -3.585503      5.742518
  Br     -2.182973     -3.691390      7.541257
  C      -3.283644     -2.359560      5.266449
  C      -5.162359      5.174749      4.972130
  N      -5.424011      6.396120      5.346307
  C      -6.416766      7.057863      4.640424
  O      -6.599788      6.931374      3.423321
  C      -7.305877      7.933117      5.468708
  C      -8.431255      8.518177      4.872459
  C      -9.316591      9.276243      5.635289
  C      -9.090538      9.464498      7.002921
  C      -7.964345      8.881867      7.581986
  Br     -7.658704      9.100943      9.460340
  C      -7.069554      8.119344      6.839527
  C      -5.871907      1.405926      5.863841
  N      -6.620125      2.459945      6.288322
  C      -7.601393      2.904453      5.464442
  O      -7.785325      2.534903      4.272308
  C      -8.503297      3.949901      6.053337
  C      -8.286553      4.474809      7.338007
  C      -9.115368      5.477871      7.838408
  C     -10.170866      5.974903      7.069546
  C     -10.375455      5.446203      5.794831
  Br    -11.796310      6.144514      4.721939
  C      -9.562649      4.442765      5.277537
  H      -1.700561     -0.415839      4.011428
  H      -4.216058     -3.344391      2.138599
  H      -3.331039     -5.520633      3.004265
  H      -2.457867     -5.675437      5.332758
  H      -3.294902     -1.481380      5.913345
  H      -5.838549      4.692948      4.253537
  H      -8.603911      8.347426      3.809710
  H     -10.201150      9.715961      5.172338
  H      -9.785170     10.044919      7.610385
  H      -6.201706      7.654663      7.304182
  H      -6.268882      0.641378      5.181266
  H      -7.452406      4.089106      7.922777
  H      -8.933895      5.894956      8.830653
  H     -10.808765      6.773761      7.446197
  H      -9.722545      4.036566      4.279182
  N      -5.130170      2.566760      3.214841
  H      -4.758845      1.896764      2.537752
  H      -5.118255      3.497722      2.787823
  H      -6.132241      2.336156      3.395543
75
Coordinates from ORCA-job orca E -13784.889220335899
  N      -2.183761      1.568628      4.652194
  Mo     -4.047770      2.365866      5.169279
  N      -4.684080      1.065127      6.520090
  C      -4.395732      1.278858      7.930092
  C      -2.921423      1.636067      7.966229
  N      -2.692612      2.732440      6.975029
  C      -1.275876      2.800500      6.520148
  C      -0.978317      1.743979      5.462114
  C      -3.081760      4.049357      7.556570
  C      -3.298991      5.050736      6.440695
  N      -4.168009      4.417842      5.444600
  H      -0.121636      2.073265      4.852216
  H      -0.701310      0.784818      5.929323
  H      -1.125686      3.797386      6.087876
  H      -0.592203      2.699716      7.379097
  H      -3.775808      5.961008      6.831525
  H      -2.348643      5.364138      5.978548
  H      -4.025549      3.906933      8.098226
  H      -2.314275      4.392360      8.271641
  H      -4.584594      0.355343      8.503420
  H      -5.031763      2.073086      8.356084
  H      -2.331491      0.767206      7.643422
  H      -2.579147      1.942664      8.968380
  C      -2.462258      0.370531      4.133527
  N      -3.730746      0.195826      3.846262
  C      -4.291782     -0.976247      3.388459
  O      -5.255123     -0.970820      2.616008
  C      -3.761293     -2.267131      3.941950
  C      -3.776469     -3.427580      3.156842
  C      -3.314053     -4.631597      3.684121
  C      -2.859000     -4.705295      5.004957
  C      -2.873903     -3.548386      5.782269
  Br     -2.286738     -3.623757      7.601503
  C      -3.309061     -2.329606      5.269968
  C      -5.177478      5.172453      4.964672
  N      -5.443149      6.393045      5.341020
  C      -6.433253      7.055632      4.634288
  O      -6.600985      6.947998      3.413150
  C      -7.313514      7.942918      5.460192
  C      -8.434807      8.534731      4.863585
  C      -9.314809      9.298988      5.625668
  C      -9.086293      9.489164      6.992096
  C      -7.961720      8.902954      7.570512
  Br     -7.652309      9.124693      9.447483
  C      -7.073556      8.132266      6.829213
  C      -5.861546      1.374914      5.842238
  N      -6.609666      2.425866      6.281067
  C      -7.602627      2.872250      5.470240
  O      -7.781715      2.531718      4.268133
  C      -8.488229      3.924581      6.069773
  C      -8.282176      4.410433      7.370819
  C      -9.098004      5.416801      7.883848
  C     -10.127564      5.958385      7.110438
  C     -10.322184      5.467983      5.819277
  Br    -11.709058      6.224072      4.742043
  C      -9.523403      4.459847      5.290112
  H      -1.680253     -0.395599      3.997837
  H      -4.154701     -3.368811      2.135796
  H      -3.308334     -5.532016      3.067908
  H      -2.505653     -5.647700      5.422836
  H      -3.337372     -1.439499      5.899468
  H      -5.846873      4.692233      4.238956
  H      -8.610352      8.361328      3.801827
  H     -10.197769      9.741808      5.162821
  H      -9.777551     10.073182      7.599477
  H      -6.208718      7.662573      7.294208
  H      -6.258869      0.615446      5.155088
  H      -7.467659      3.990098      7.959193
  H      -8.925261      5.802790      8.889904
  H     -10.753479      6.762233      7.496893
  H      -9.675985      4.082158      4.279460
  N      -5.144812      2.572443      3.207317
  H      -4.792549      1.881823      2.540766
  H      -5.108231      3.497141      2.769193
  H      -6.152276      2.370029      3.397070
75
Coordinates from ORCA-job orca E -13784.890402228151
  N      -2.183946      1.581010      4.629882
  Mo     -4.052883      2.369247      5.160186
  N      -4.661487      1.037974      6.497567
  C      -4.374026      1.251180      7.906614
  C      -2.905483      1.629863      7.945679
  N      -2.692489      2.732563      6.959388
  C      -1.278264      2.815856      6.496287
  C      -0.978201      1.761918      5.435935
  C      -3.090693      4.041495      7.550066
  C      -3.310087      5.048462      6.442193
  N      -4.170577      4.422138      5.436018
  H      -0.127039      2.101070      4.823041
  H      -0.689192      0.804653      5.899938
  H      -1.139485      3.813627      6.062759
  H      -0.589688      2.722325      7.352107
  H      -3.796619      5.950593      6.840810
  H      -2.362391      5.375161      5.984129
  H      -4.035078      3.887861      8.088116
  H      -2.327160      4.382044      8.270580
  H      -4.550132      0.323688      8.477877
  H      -5.021535      2.036255      8.333210
  H      -2.302286      0.770666      7.620305
  H      -2.565666      1.940770      8.947261
  C      -2.457307      0.381158      4.109893
  N      -3.717821      0.205063      3.803343
  C      -4.267025     -0.974186      3.341374
  O      -5.194103     -0.974531      2.527866
  C      -3.762902     -2.257242      3.942816
  C      -3.766363     -3.434289      3.183014
  C      -3.328829     -4.629847      3.748399
  C      -2.911415     -4.678746      5.082065
  C      -2.939915     -3.504874      5.833831
  Br     -2.404712     -3.547098      7.670073
  C      -3.350719     -2.294780      5.284232
  C      -5.181147      5.174633      4.961056
  N      -5.450647      6.392210      5.348420
  C      -6.448110      7.052598      4.648823
  O      -6.610180      6.966177      3.425775
  C      -7.323164      7.936386      5.485847
  C      -8.442958      8.538619      4.897516
  C      -9.316434      9.299498      5.669566
  C      -9.083785      9.476766      7.036438
  C      -7.960018      8.879599      7.605630
  Br     -7.645467      9.082966      9.483528
  C      -7.077787      8.111971      6.854944
  C      -5.843706      1.358113      5.828865
  N      -6.577388      2.421888      6.273120
  C      -7.568182      2.870377      5.455379
  O      -7.755250      2.511569      4.260272
  C      -8.457419      3.921894      6.050358
  C      -8.268801      4.400527      7.355881
  C      -9.091434      5.403895      7.862241
  C     -10.111309      5.949031      7.078504
  C     -10.290327      5.462883      5.783891
  Br    -11.672805      6.212824      4.695874
  C      -9.484118      4.458494      5.260213
  H      -1.668688     -0.379035      3.977715
  H      -4.114607     -3.395185      2.150417
  H      -3.312593     -5.543269      3.151770
  H      -2.577089     -5.614465      5.529374
  H      -3.394703     -1.391602      5.893963
  H      -5.849476      4.690949      4.237827
  H      -8.622557      8.375810      3.834831
  H     -10.198683      9.750761      5.213479
  H      -9.769804     10.059750      7.650357
  H      -6.213931      7.633576      7.312627
  H      -6.251153      0.605175      5.141571
  H      -7.463106      3.976785      7.953715
  H      -8.933611      5.784616      8.872693
  H     -10.744869      6.748438      7.462086
  H      -9.626252      4.081661      4.247783
  N      -5.164009      2.578589      3.209075
  H      -4.836146      1.864338      2.553946
  H      -5.103532      3.493768      2.754593
  H      -6.174834      2.401982      3.411734
75
Coordinates from ORCA-job orca E -13784.891559286365
  N      -2.189413      1.597221      4.619744
  Mo     -4.069025      2.362722      5.152167
  N      -4.649118      0.985523      6.460104
  C      -4.372927      1.189938      7.871864
  C      -2.914237      1.602146      7.929231
  N      -2.718051      2.719998      6.957818
  C      -1.304266      2.827278      6.496329
  C      -0.990179      1.782151      5.432225
  C      -3.135742      4.016588      7.561082
  C      -3.353968      5.033817      6.464360
  N      -4.194881      4.414035      5.437531
  H      -0.141681      2.138423      4.824668
  H      -0.688725      0.825786      5.890041
  H      -1.179008      3.827758      6.065978
  H      -0.617102      2.742370      7.354282
  H      -3.858998      5.923093      6.869432
  H      -2.407512      5.380695      6.019101
  H      -4.083057      3.844228      8.088896
  H      -2.382599      4.353688      8.294286
  H      -4.530713      0.253383      8.433971
  H      -5.041287      1.956568      8.300713
  H      -2.288746      0.760220      7.600047
  H      -2.585901      1.911732      8.934961
  C      -2.445244      0.398978      4.082333
  N      -3.695339      0.213663      3.746991
  C      -4.222175     -0.973639      3.269645
  O      -5.104392     -0.982716      2.410345
  C      -3.744880     -2.243476      3.922278
  C      -3.731522     -3.437728      3.189915
  C      -3.315817     -4.621167      3.795802
  C      -2.937218     -4.639746      5.141568
  C      -2.982919     -3.447404      5.863996
  Br     -2.499813     -3.450207      7.715452
  C      -3.372770     -2.249768      5.275176
  C      -5.206388      5.162561      4.960632
  N      -5.484199      6.376080      5.359232
  C      -6.481449      7.036092      4.654366
  O      -6.643914      6.946595      3.432507
  C      -7.350974      7.928243      5.490740
  C      -8.456062      8.551340      4.896456
  C      -9.314633      9.332934      5.664216
  C      -9.084579      9.508786      7.031464
  C      -7.978476      8.883984      7.606614
  Br     -7.669679      9.084290      9.485891
  C      -7.108853      8.097796      6.860822
  C      -5.833566      1.318171      5.799480
  N      -6.549696      2.391628      6.265326
  C      -7.563994      2.833900      5.465922
  O      -7.791335      2.451266      4.286848
  C      -8.416750      3.913235      6.063218
  C      -8.196514      4.406864      7.357578
  C      -8.995011      5.429358      7.863586
  C     -10.024327      5.975859      7.092718
  C     -10.233310      5.474284      5.808878
  Br    -11.634061      6.219212      4.739073
  C      -9.449532      4.454230      5.283035
  H      -1.644249     -0.348806      3.953909
  H      -4.048768     -3.422030      2.146756
  H      -3.286109     -5.548689      3.221692
  H      -2.619311     -5.565623      5.620155
  H      -3.434254     -1.331440      5.861502
  H      -5.860119      4.676502      4.227164
  H      -8.633133      8.393718      3.832636
  H     -10.183496      9.805168      5.203361
  H      -9.756951     10.113619      7.639545
  H      -6.256470      7.602452      7.321740
  H      -6.253489      0.574545      5.110693
  H      -7.388046      3.978680      7.948421
  H      -8.815523      5.821790      8.866055
  H     -10.644256      6.783813      7.479538
  H      -9.616629      4.063119      4.280065
  N      -5.177777      2.574680      3.205653
  H      -4.858161      1.845691      2.561331
  H      -5.100953      3.482712      2.739716
  H      -6.191381      2.403844      3.407684
75
Coordinates from ORCA-job orca E -13784.892649128715
  N      -2.193618      1.614701      4.603769
  Mo     -4.077964      2.363866      5.143163
  N      -4.629491      0.942360      6.421918
  C      -4.361003      1.137327      7.836912
  C      -2.910679      1.576885      7.908798
  N      -2.729278      2.709863      6.951754
  C      -1.317491      2.833158      6.488554
  C      -0.997391      1.796354      5.419790
  C      -3.158556      3.997512      7.567004
  C      -3.372620      5.026418      6.480761
  N      -4.199824      4.415252      5.435581
  H      -0.150764      2.164628      4.816432
  H      -0.689034      0.838646      5.870026
  H      -1.202072      3.835803      6.061187
  H      -0.630193      2.753163      7.346970
  H      -3.889906      5.906427      6.890316
  H      -2.425526      5.386675      6.048073
  H      -4.108015      3.812632      8.087140
  H      -2.412180      4.328323      8.310147
  H      -4.501330      0.192392      8.389887
  H      -5.045795      1.886794      8.269890
  H      -2.267692      0.750647      7.574027
  H      -2.590617      1.881314      8.918643
  C      -2.436766      0.421787      4.044952
  N      -3.678522      0.227922      3.685394
  C      -4.188200     -0.964827      3.196901
  O      -5.028146     -0.983986      2.297931
  C      -3.748802     -2.216997      3.905146
  C      -3.724174     -3.433698      3.210614
  C      -3.338000     -4.600537      3.867254
  C      -3.001134     -4.577813      5.224547
  C      -3.058366     -3.361727      5.906163
  Br     -2.633226     -3.309829      7.771768
  C      -3.418918     -2.180848      5.267998
  C      -5.205367      5.169433      4.952280
  N      -5.479924      6.381883      5.358022
  C      -6.466027      7.052363      4.642863
  O      -6.631676      6.953104      3.422837
  C      -7.343481      7.937871      5.478897
  C      -8.444509      8.563983      4.880071
  C      -9.310733      9.337096      5.648282
  C      -9.094195      9.500025      7.019632
  C      -7.991816      8.871320      7.598290
  Br     -7.704044      9.051391      9.483448
  C      -7.113177      8.095100      6.852720
  C      -5.814301      1.290958      5.770291
  N      -6.503021      2.379461      6.253441
  C      -7.524561      2.830785      5.462032
  O      -7.758218      2.455771      4.283866
  C      -8.374320      3.902639      6.076872
  C      -8.160207      4.374073      7.380587
  C      -8.966298      5.383259      7.901986
  C      -9.999608      5.935245      7.139723
  C     -10.200465      5.456153      5.846192
  Br    -11.605234      6.208988      4.785747
  C      -9.407479      4.452984      5.302487
  H      -1.625562     -0.315202      3.918899
  H      -4.008546     -3.448659      2.158038
  H      -3.299421     -5.546716      3.324894
  H      -2.706381     -5.490089      5.742474
  H      -3.493213     -1.241914      5.821194
  H      -5.844821      4.689884      4.202712
  H      -8.612866      8.415454      3.813606
  H     -10.176665      9.812334      5.184705
  H      -9.773845     10.097216      7.627157
  H      -6.264746      7.595341      7.315837
  H      -6.253094      0.557951      5.082772
  H      -7.352233      3.939733      7.967709
  H      -8.792377      5.760759      8.911353
  H     -10.625576      6.731731      7.539694
  H      -9.568683      4.078403      4.292464
  N      -5.190398      2.578899      3.203960
  H      -4.878774      1.836121      2.570566
  H      -5.100688      3.479198      2.725686
  H      -6.203757      2.411692      3.404855
75
Coordinates from ORCA-job orca E -13784.893707769441
  N      -2.196402      1.633544      4.593350
  Mo     -4.091193      2.361419      5.124531
  N      -4.622520      0.895964      6.369411
  C      -4.372631      1.080815      7.791300
  C      -2.932614      1.547921      7.887929
  N      -2.759850      2.697277      6.947635
  C      -1.346462      2.838679      6.496265
  C      -1.008907      1.814051      5.422454
  C      -3.208450      3.974573      7.571309
  C      -3.410900      5.017316      6.494007
  N      -4.214811      4.413290      5.423860
  H      -0.158879      2.194216      4.831463
  H      -0.698302      0.854024      5.866239
  H      -1.238235      3.845289      6.076260
  H      -0.665745      2.760391      7.360088
  H      -3.943757      5.887503      6.903655
  H      -2.458704      5.391717      6.085508
  H      -4.164482      3.776192      8.074185
  H      -2.476566      4.301660      8.330424
  H      -4.499082      0.126652      8.331784
  H      -5.076790      1.811506      8.224045
  H      -2.269203      0.739243      7.551404
  H      -2.631232      1.843613      8.905995
  C      -2.417915      0.445885      4.013839
  N      -3.647258      0.234415      3.620716
  C      -4.129518     -0.966909      3.124965
  O      -4.916570     -1.006209      2.179711
  C      -3.729414     -2.199477      3.884487
  C      -3.672465     -3.435905      3.227004
  C      -3.317939     -4.582605      3.936311
  C      -3.047036     -4.518447      5.307810
  C      -3.137893     -3.283099      5.949354
  Br     -2.807384     -3.174535      7.832473
  C      -3.466643     -2.121760      5.260304
  C      -5.214995      5.171824      4.931118
  N      -5.496311      6.379366      5.343855
  C      -6.486152      7.046823      4.630390
  O      -6.656916      6.946691      3.411176
  C      -7.348291      7.945638      5.466945
  C      -8.449799      8.576351      4.873703
  C      -9.310041      9.351817      5.647036
  C      -9.085980      9.512625      7.017921
  C      -7.980897      8.882953      7.590075
  Br     -7.684866      9.058120      9.474954
  C      -7.108368      8.104568      6.839568
  C      -5.802650      1.257293      5.717193
  N      -6.468534      2.357734      6.211777
  C      -7.507025      2.819667      5.445644
  O      -7.794607      2.422952      4.288007
  C      -8.336412      3.891795      6.087239
  C      -8.090612      4.354498      7.388979
  C      -8.884578      5.360037      7.936969
  C      -9.936394      5.917274      7.204005
  C     -10.166810      5.448765      5.911343
  Br    -11.593917      6.211204      4.888345
  C      -9.386837      4.449637      5.341234
  H      -1.593284     -0.278470      3.901775
  H      -3.905644     -3.481429      2.162861
  H      -3.253480     -5.544557      3.425212
  H      -2.777836     -5.414488      5.866441
  H      -3.572530     -1.166464      5.780475
  H      -5.842236      4.698891      4.166809
  H      -8.626458      8.425911      3.808909
  H     -10.178023      9.828590      5.188978
  H      -9.762936     10.107940      7.629919
  H      -6.260302      7.600049      7.297912
  H      -6.254607      0.532907      5.029448
  H      -7.269686      3.915960      7.954758
  H      -8.686154      5.731836      8.943890
  H     -10.550415      6.712920      7.623969
  H      -9.568935      4.084894      4.331272
  N      -5.189845      2.574812      3.181568
  H      -4.877319      1.819441      2.563248
  H      -5.084722      3.466549      2.691092
  H      -6.204444      2.415479      3.372465
75
Coordinates from ORCA-job orca E -13784.894891797574
  N      -2.233788      1.652608      4.597545
  Mo     -4.137549      2.346757      5.132443
  N      -4.637022      0.837999      6.346627
  C      -4.399295      1.012985      7.774605
  C      -2.971357      1.511153      7.887416
  N      -2.815389      2.677549      6.964145
  C      -1.403575      2.843609      6.517343
  C      -1.049489      1.836934      5.432612
  C      -3.286256      3.940220      7.599265
  C      -3.484616      4.997507      6.532250
  N      -4.265520      4.398728      5.439713
  H      -0.200747      2.232249      4.850161
  H      -0.731964      0.874072      5.865340
  H      -1.309232      3.856063      6.107642
  H      -0.723152      2.766357      7.381500
  H      -4.033447      5.856824      6.942732
  H      -2.528509      5.387379      6.148207
  H      -4.246262      3.724265      8.086930
  H      -2.567920      4.267140      8.371333
  H      -4.505303      0.048836      8.301449
  H      -5.122542      1.721544      8.211023
  H      -2.286834      0.723161      7.545269
  H      -2.686391      1.795841      8.913320
  C      -2.424789      0.470523      3.997281
  N      -3.639819      0.227191      3.577345
  C      -4.084783     -0.986092      3.078732
  O      -4.831194     -1.050526      2.100808
  C      -3.685130     -2.208426      3.853323
  C      -3.596854     -3.450680      3.209450
  C      -3.237531     -4.584828      3.937245
  C      -2.993372     -4.502401      5.313352
  C      -3.115847     -3.263173      5.939896
  Br     -2.822962     -3.127553      7.828607
  C      -3.449484     -2.113154      5.233724
  C      -5.255969      5.165550      4.935279
  N      -5.532638      6.374048      5.343750
  C      -6.512462      7.047081      4.622472
  O      -6.700134      6.917387      3.408118
  C      -7.358559      7.969996      5.446615
  C      -8.459175      8.599633      4.850453
  C      -9.307686      9.396783      5.615332
  C      -9.070780      9.580409      6.981570
  C      -7.965950      8.954074      7.556911
  Br     -7.651914      9.162180      9.435877
  C      -7.106093      8.153973      6.814641
  C      -5.815947      1.202352      5.696451
  N      -6.461047      2.315396      6.191689
  C      -7.514806      2.786892      5.451769
  O      -7.848383      2.376285      4.312546
  C      -8.298797      3.887258      6.102171
  C      -8.003065      4.358655      7.390770
  C      -8.759964      5.385344      7.953046
  C      -9.822109      5.957256      7.246635
  C     -10.101760      5.481481      5.966035
  Br    -11.545231      6.260683      4.980409
  C      -9.360208      4.460002      5.383328
  H      -1.581620     -0.234133      3.895962
  H      -3.808804     -3.509635      2.141555
  H      -3.148202     -5.550627      3.437545
  H      -2.720159     -5.388445      5.885975
  H      -3.583921     -1.154890      5.741984
  H      -5.873224      4.704513      4.154958
  H      -8.645648      8.430804      3.790076
  H     -10.174821      9.872886      5.155405
  H      -9.738501     10.191560      7.587913
  H      -6.258195      7.651489      7.275335
  H      -6.280139      0.483721      5.010856
  H      -7.175100      3.908476      7.936900
  H      -8.523246      5.762500      8.949458
  H     -10.406497      6.769484      7.677530
  H      -9.580655      4.088390      4.383463
  N      -5.235269      2.548047      3.190868
  H      -4.918040      1.783030      2.586282
  H      -5.124097      3.431001      2.686355
  H      -6.248861      2.395057      3.375629
75
Coordinates from ORCA-job orca E -13784.896190499634
  N      -2.295310      1.677301      4.619307
  Mo     -4.205932      2.324572      5.162791
  N      -4.668648      0.773667      6.345938
  C      -4.441162      0.937035      7.779430
  C      -3.028913      1.473477      7.907500
  N      -2.893853      2.657218      7.003012
  C      -1.485147      2.853846      6.558328
  C      -1.112268      1.870394      5.458642
  C      -3.391385      3.901989      7.648404
  C      -3.588411      4.971986      6.590639
  N      -4.340908      4.375327      5.475675
  H      -0.267971      2.285166      4.883908
  H      -0.783900      0.904546      5.876459
  H      -1.409508      3.872989      6.161388
  H      -0.802080      2.778412      7.420584
  H      -4.156271      5.819796      6.998231
  H      -2.628546      5.378222      6.233768
  H      -4.354330      3.664849      8.119680
  H      -2.688473      4.232839      8.433029
  H      -4.520075     -0.037928      8.290559
  H      -5.186780      1.617819      8.221265
  H      -2.320071      0.710243      7.559019
  H      -2.761993      1.745642      8.941804
  C      -2.442003      0.501317      3.994850
  N      -3.636204      0.213526      3.545852
  C      -4.031518     -1.009760      3.037045
  O      -4.763789     -1.093882      2.047722
  C      -3.615785     -2.232432      3.804701
  C      -3.510223     -3.470687      3.155182
  C      -3.131173     -4.602990      3.875675
  C      -2.882324     -4.524188      5.251253
  C      -3.020399     -3.291006      5.883608
  Br     -2.719037     -3.156305      7.772482
  C      -3.375065     -2.141654      5.185530
  C      -5.316079      5.150270      4.952328
  N      -5.583127      6.365115      5.344634
  C      -6.544088      7.042518      4.602517
  O      -6.734738      6.882366      3.391478
  C      -7.365603      8.009434      5.396876
  C      -8.453374      8.645143      4.784082
  C      -9.288452      9.476995      5.526592
  C      -9.048308      9.689419      6.888150
  C      -7.953284      9.062279      7.479795
  Br     -7.633371      9.313413      9.352578
  C      -7.107905      8.227980      6.759316
  C      -5.848268      1.133902      5.698291
  N      -6.467630      2.262336      6.191772
  C      -7.537803      2.748567      5.485219
  O      -7.929298      2.321179      4.372365
  C      -8.260722      3.885901      6.142285
  C      -7.895813      4.371356      7.407799
  C      -8.597906      5.429197      7.983584
  C      -9.673989      6.018714      7.313592
  C     -10.024242      5.528318      6.055746
  Br    -11.492308      6.324734      5.122974
  C      -9.335970      4.476994      5.460278
  H      -1.575344     -0.176098      3.902216
  H      -3.724804     -3.526964      2.087630
  H      -3.029107     -5.564624      3.370583
  H      -2.592574     -5.409054      5.817756
  H      -3.523840     -1.188949      5.699952
  H      -5.921616      4.699627      4.155988
  H      -8.643750      8.450962      3.728653
  H     -10.147220      9.955951      5.054614
  H      -9.708222     10.322990      7.479595
  H      -6.268675      7.722935      7.232770
  H      -6.326910      0.421396      5.016451
  H      -7.057883      3.907230      7.926373
  H      -8.306361      5.816471      8.961305
  H     -10.214692      6.856259      7.754224
  H      -9.609311      4.094813      4.477391
  N      -5.303209      2.503587      3.221305
  H      -4.967187      1.737133      2.627749
  H      -5.198240      3.380831      2.704920
  H      -6.314919      2.344638      3.393565
75
Coordinates from ORCA-job orca E -13784.897337993521
  N      -2.352128      1.696393      4.626455
  Mo     -4.267767      2.306896      5.185411
  N      -4.693471      0.721604      6.343438
  C      -4.471185      0.878327      7.778922
  C      -3.073420      1.448347      7.917754
  N      -2.958656      2.642406      7.025839
  C      -1.553838      2.864642      6.578889
  C      -1.169539      1.899123      5.466914
  C      -3.476547      3.872436      7.678212
  C      -3.672399      4.950139      6.627589
  N      -4.401454      4.357987      5.495718
  H      -0.331666      2.330778      4.895457
  H      -0.828533      0.932469      5.872836
  H      -1.494309      3.888110      6.191545
  H      -0.865926      2.791257      7.437394
  H      -4.255652      5.787929      7.034273
  H      -2.711662      5.371055      6.290675
  H      -4.441897      3.618627      8.135572
  H      -2.786498      4.206443      8.473006
  H      -4.527538     -0.103327      8.279892
  H      -5.235761      1.536844      8.222822
  H      -2.344410      0.705200      7.566444
  H      -2.819590      1.716012      8.956670
  C      -2.462334      0.523788      3.986742
  N      -3.633563      0.201673      3.510977
  C      -3.983271     -1.031283      2.999384
  O      -4.692044     -1.137322      1.994283
  C      -3.554072     -2.246924      3.775076
  C      -3.416840     -3.482023      3.126297
  C      -3.025593     -4.608003      3.848643
  C      -2.793324     -4.528055      5.226561
  C      -2.961778     -3.298999      5.858755
  Br     -2.683641     -3.160506      7.751425
  C      -3.330959     -2.155354      5.159002
  C      -5.359081      5.140204      4.956235
  N      -5.609495      6.364100      5.334252
  C      -6.563311      7.046528      4.587583
  O      -6.776440      6.862051      3.383359
  C      -7.353056      8.046462      5.372521
  C      -8.446534      8.680591      4.768984
  C      -9.259777      9.533765      5.510984
  C      -8.991063      9.769669      6.862831
  C      -7.886823      9.148805      7.443690
  Br     -7.525500      9.433697      9.303689
  C      -7.063202      8.293809      6.723093
  C      -5.877228      1.080018      5.702442
  N      -6.473279      2.224544      6.194342
  C      -7.559201      2.712680      5.511969
  O      -7.987326      2.267292      4.420753
  C      -8.241214      3.879321      6.160180
  C      -7.837930      4.382761      7.406416
  C      -8.508002      5.463126      7.977246
  C      -9.591515      6.055961      7.322311
  C      -9.982379      5.545623      6.084749
  Br    -11.469460      6.335980      5.178305
  C      -9.323061      4.474249      5.493298
  H      -1.577035     -0.131270      3.903729
  H      -3.617405     -3.540305      2.056108
  H      -2.899858     -5.566437      3.342730
  H      -2.493308     -5.408669      5.794234
  H      -3.507071     -1.208400      5.674496
  H      -5.963566      4.693122      4.157010
  H      -8.661097      8.465299      3.722265
  H     -10.125106     10.009066      5.047527
  H      -9.637530     10.414754      7.456625
  H      -6.217915      7.791809      7.188852
  H      -6.368685      0.372885      5.025222
  H      -6.996273      3.913927      7.914653
  H      -8.186475      5.864283      8.939868
  H     -10.107861      6.911105      7.758925
  H      -9.626302      4.077314      4.525053
  N      -5.370285      2.465137      3.246646
  H      -5.023611      1.693437      2.664695
  H      -5.267273      3.336096      2.718585
  H      -6.382803      2.305527      3.413222
75
Coordinates from ORCA-job orca E -13784.898354008232
  N      -2.418026      1.699178      4.641940
  Mo     -4.330412      2.291469      5.224829
  N      -4.737812      0.690831      6.371202
  C      -4.510624      0.842124      7.804956
  C      -3.121890      1.433195      7.945776
  N      -3.018222      2.629276      7.057815
  C      -1.616450      2.862359      6.603197
  C      -1.233576      1.906625      5.481431
  C      -3.545738      3.853077      7.710594
  C      -3.739393      4.932377      6.662834
  N      -4.448459      4.344498      5.518408
  H      -0.400276      2.345751      4.908978
  H      -0.886142      0.938686      5.879209
  H      -1.564115      3.887718      6.222030
  H      -0.921005      2.787121      7.455355
  H      -4.332834      5.764126      7.067890
  H      -2.778583      5.363966      6.339939
  H      -4.513686      3.591545      8.157796
  H      -2.864730      4.190850      8.511743
  H      -4.553733     -0.142705      8.300784
  H      -5.285920      1.487985      8.251148
  H      -2.381957      0.699625      7.595239
  H      -2.874638      1.703048      8.985934
  C      -2.499658      0.528535      3.989047
  N      -3.650963      0.180416      3.492218
  C      -3.964585     -1.056485      2.977182
  O      -4.676973     -1.177922      1.976178
  C      -3.492932     -2.268789      3.739445
  C      -3.336801     -3.490355      3.071537
  C      -2.907473     -4.616912      3.768104
  C      -2.650865     -4.553903      5.141591
  C      -2.835795     -3.337824      5.795236
  Br     -2.522666     -3.221140      7.683436
  C      -3.246083     -2.194001      5.119669
  C      -5.379230      5.132535      4.951136
  N      -5.610412      6.370642      5.303428
  C      -6.553452      7.052395      4.542632
  O      -6.766706      6.855319      3.340239
  C      -7.326396      8.078570      5.312705
  C      -8.423497      8.705446      4.709032
  C      -9.226831      9.573072      5.444109
  C      -8.945014      9.831750      6.788294
  C      -7.834600      9.219972      7.368140
  Br     -7.451764      9.537003      9.217860
  C      -7.020611      8.351093      6.653827
  C      -5.927933      1.049349      5.739470
  N      -6.497318      2.210505      6.236636
  C      -7.590581      2.710249      5.573097
  O      -8.039503      2.260747      4.492298
  C      -8.246367      3.891150      6.221101
  C      -7.841274      4.380422      7.471649
  C      -8.484674      5.478416      8.036841
  C      -9.545633      6.100934      7.373018
  C      -9.943810      5.599895      6.134435
  Br    -11.406389      6.424615      5.219880
  C      -9.308140      4.512565      5.547925
  H      -1.601183     -0.109968      3.910305
  H      -3.554442     -3.537663      2.004030
  H      -2.768993     -5.564118      3.244202
  H      -2.320000     -5.435981      5.689246
  H      -3.434644     -1.261270      5.655127
  H      -5.986275      4.679606      4.157367
  H      -8.649523      8.471222      3.668665
  H     -10.096213     10.041681      4.980977
  H      -9.586503     10.485111      7.378755
  H      -6.170590      7.856301      7.118867
  H      -6.436749      0.353870      5.064966
  H      -7.019831      3.885426      7.987946
  H      -8.160570      5.869332      9.002998
  H     -10.041241      6.970987      7.804441
  H      -9.613505      4.126163      4.576038
  N      -5.438466      2.427854      3.285583
  H      -5.090507      1.645378      2.717184
  H      -5.328218      3.289990      2.743582
  H      -6.454995      2.281694      3.447848
75
Coordinates from ORCA-job orca E -13784.899293726778
  N      -2.459864      1.705547      4.632780
  Mo     -4.374618      2.273529      5.242453
  N      -4.750298      0.642998      6.360790
  C      -4.517722      0.778888      7.795673
  C      -3.139748      1.392577      7.943002
  N      -3.057445      2.600237      7.067997
  C      -1.661096      2.853581      6.607684
  C      -1.276091      1.914516      5.473327
  C      -3.600117      3.811019      7.734793
  C      -3.801605      4.903780      6.703045
  N      -4.492766      4.326557      5.541239
  H      -0.448548      2.368511      4.903823
  H      -0.917068      0.945937      5.859296
  H      -1.620569      3.883746      6.238531
  H      -0.960168      2.774691      7.454980
  H      -4.410232      5.719179      7.119052
  H      -2.846821      5.358620      6.394389
  H      -4.567772      3.532517      8.172608
  H      -2.927779      4.144819      8.544880
  H      -4.543515     -0.212324      8.279926
  H      -5.302721      1.406455      8.251028
  H      -2.387329      0.675450      7.585632
  H      -2.896234      1.656962      8.985324
  C      -2.519679      0.542902      3.959754
  N      -3.656066      0.177447      3.439094
  C      -3.936339     -1.066527      2.921393
  O      -4.631617     -1.209059      1.912097
  C      -3.456164     -2.258275      3.708668
  C      -3.273194     -3.486576      3.060079
  C      -2.832842     -4.595689      3.778190
  C      -2.591484     -4.507693      5.153523
  C      -2.803280     -3.284231      5.786864
  Br     -2.511112     -3.135136      7.675574
  C      -3.225871     -2.158492      5.089389
  C      -5.410559      5.119305      4.959394
  N      -5.634946      6.360187      5.308472
  C      -6.564873      7.048665      4.537708
  O      -6.779270      6.845465      3.337192
  C      -7.321626      8.096239      5.298502
  C      -8.402260      8.741521      4.684476
  C      -9.188358      9.633719      5.409273
  C      -8.907643      9.898080      6.752714
  C      -7.813952      9.265208      7.343097
  Br     -7.432884      9.589773      9.192003
  C      -7.015865      8.372959      6.639060
  C      -5.948444      1.008380      5.745905
  N      -6.498237      2.179761      6.254274
  C      -7.601722      2.682337      5.606326
  O      -8.086629      2.209399      4.551656
  C      -8.228651      3.882493      6.246002
  C      -7.797584      4.387645      7.481615
  C      -8.417891      5.504202      8.037024
  C      -9.483440      6.126748      7.380431
  C      -9.909047      5.608253      6.157924
  Br    -11.383413      6.427376      5.257448
  C      -9.294213      4.504840      5.578833
  H      -1.608077     -0.077120      3.883905
  H      -3.478399     -3.552935      1.991127
  H      -2.673592     -5.548334      3.270060
  H      -2.252180     -5.375721      5.718166
  H      -3.435643     -1.221052      5.609343
  H      -6.009435      4.668084      4.158665
  H      -8.627977      8.504718      3.644650
  H     -10.044277     10.118736      4.937609
  H      -9.536416     10.571591      7.334295
  H      -6.178359      7.864018      7.111546
  H      -6.469426      0.324268      5.070268
  H      -6.976580      3.889103      7.995448
  H      -8.074424      5.907837      8.991225
  H      -9.962744      7.009000      7.804871
  H      -9.619292      4.106636      4.618338
  N      -5.491774      2.403400      3.309227
  H      -5.144418      1.614183      2.749024
  H      -5.375732      3.260361      2.760840
  H      -6.507574      2.260819      3.473735
75
Coordinates from ORCA-job orca E -13784.900245727511
  N      -2.507450      1.689855      4.632900
  Mo     -4.417349      2.256932      5.276458
  N      -4.786190      0.626708      6.393062
  C      -4.536454      0.753588      7.825426
  C      -3.159772      1.373533      7.962883
  N      -3.089561      2.580448      7.084030
  C      -1.698860      2.838421      6.610541
  C      -1.322945      1.901785      5.471734
  C      -3.635709      3.789883      7.754836
  C      -3.848959      4.886787      6.731721
  N      -4.527645      4.312765      5.561462
  H      -0.499134      2.358374      4.898536
  H      -0.957528      0.934915      5.856296
  H      -1.663088      3.870779      6.246119
  H      -0.989532      2.755622      7.450334
  H      -4.470341      5.688052      7.157861
  H      -2.903080      5.363565      6.427717
  H      -4.601654      3.504151      8.191683
  H      -2.965380      4.123305      8.566442
  H      -4.556260     -0.238734      8.307425
  H      -5.318845      1.377133      8.290971
  H      -2.406307      0.658544      7.603993
  H      -2.910735      1.644198      9.002039
  C      -2.552212      0.532117      3.947209
  N      -3.680111      0.153799      3.407813
  C      -3.935934     -1.095162      2.888018
  O      -4.633081     -1.256031      1.884158
  C      -3.413132     -2.270104      3.673574
  C      -3.184112     -3.485446      3.014775
  C      -2.703045     -4.583779      3.724257
  C      -2.466338     -4.498146      5.100768
  C      -2.725664     -3.287991      5.744802
  Br     -2.441956     -3.147725      7.633854
  C      -3.190805     -2.174463      5.054908
  C      -5.430135      5.107502      4.959587
  N      -5.641020      6.354317      5.297905
  C      -6.565293      7.046474      4.524413
  O      -6.794932      6.831700      3.329672
  C      -7.298220      8.118973      5.279045
  C      -8.369869      8.776976      4.662544
  C      -9.132723      9.694381      5.381309
  C      -8.840980      9.970308      6.720072
  C      -7.755982      9.322632      7.312344
  Br     -7.360517      9.661544      9.155574
  C      -6.978636      8.407164      6.614060
  C      -5.992963      0.991809      5.793647
  N      -6.535677      2.168768      6.309498
  C      -7.643313      2.666991      5.663481
  O      -8.145522      2.169359      4.628155
  C      -8.253393      3.886184      6.280764
  C      -7.814405      4.412689      7.504549
  C      -8.421376      5.548424      8.036413
  C      -9.484702      6.164742      7.370576
  C      -9.920448      5.622890      6.161364
  Br    -11.399249      6.426664      5.254769
  C      -9.314199      4.504519      5.601549
  H      -1.630548     -0.072564      3.872831
  H      -3.385306     -3.550188      1.945065
  H      -2.507912     -5.525491      3.208217
  H      -2.096104     -5.357282      5.659382
  H      -3.437062     -1.252561      5.585823
  H      -6.031357      4.650417      4.164371
  H      -8.606099      8.531455      3.627223
  H      -9.982061     10.189528      4.907875
  H      -9.453903     10.662076      7.296992
  H      -6.148422      7.888209      7.088515
  H      -6.523667      0.319516      5.115123
  H      -6.998864      3.914891      8.027880
  H      -8.071980      5.969330      8.980989
  H      -9.955260      7.060045      7.776344
  H      -9.644092      4.092211      4.649018
  N      -5.543615      2.366541      3.344842
  H      -5.203239      1.564464      2.798548
  H      -5.414052      3.213589      2.784752
  H      -6.559334      2.239733      3.514866
75
Coordinates from ORCA-job orca E -13784.901144796484
  N      -2.548499      1.685186      4.627204
  Mo     -4.460158      2.240190      5.295298
  N      -4.813540      0.597265      6.395580
  C      -4.555397      0.711512      7.829298
  C      -3.185232      1.346652      7.966856
  N      -3.132554      2.559422      7.092553
  C      -1.748000      2.834136      6.613098
  C      -1.367577      1.904945      5.469677
  C      -3.691410      3.759207      7.771981
  C      -3.912388      4.866835      6.761346
  N      -4.570335      4.298110      5.576359
  H      -0.547424      2.370898      4.898584
  H      -0.991923      0.940772      5.851459
  H      -1.724903      3.869783      6.255358
  H      -1.033778      2.752400      7.448870
  H      -4.551757      5.649896      7.195361
  H      -2.973727      5.367543      6.472851
  H      -4.656494      3.459503      8.201226
  H      -3.028039      4.089338      8.590418
  H      -4.562614     -0.285237      8.301995
  H      -5.341059      1.322218      8.305451
  H      -2.423160      0.643288      7.603850
  H      -2.937804      1.616385      9.006406
  C      -2.571390      0.537476      3.925360
  N      -3.680619      0.145779      3.356944
  C      -3.901279     -1.110108      2.833672
  O      -4.568383     -1.288021      1.813101
  C      -3.370145     -2.272525      3.633062
  C      -3.081331     -3.477601      2.977549
  C      -2.588693     -4.563850      3.699098
  C      -2.401589     -4.476650      5.083330
  C      -2.721901     -3.279013      5.723248
  Br     -2.507115     -3.140514      7.621083
  C      -3.199331     -2.177445      5.021924
  C      -5.454499      5.098827      4.952797
  N      -5.659651      6.346935      5.285249
  C      -6.562026      7.046876      4.493436
  O      -6.774843      6.832504      3.295667
  C      -7.298036      8.128093      5.233186
  C      -8.351707      8.794936      4.595283
  C      -9.112259      9.728924      5.295615
  C      -8.836511     10.012168      6.636547
  C      -7.772416      9.351080      7.251440
  Br     -7.400638      9.699449      9.098074
  C      -6.997338      8.419556      6.572078
  C      -6.025763      0.965973      5.811882
  N      -6.554629      2.142888      6.344490
  C      -7.664651      2.660970      5.717385
  O      -8.197479      2.170204      4.694710
  C      -8.238234      3.891231      6.347074
  C      -7.774735      4.397956      7.570434
  C      -8.343009      5.549455      8.112637
  C      -9.390451      6.202244      7.456759
  C      -9.851017      5.680529      6.247523
  Br    -11.305227      6.539407      5.352846
  C      -9.285301      4.544773      5.678680
  H      -1.637425     -0.048790      3.860716
  H      -3.244339     -3.543211      1.901482
  H      -2.345975     -5.496351      3.186728
  H      -2.023023     -5.325819      5.651645
  H      -3.493548     -1.268074      5.550136
  H      -6.042686      4.644955      4.145934
  H      -8.573915      8.546334      3.557658
  H      -9.945377     10.234268      4.804412
  H      -9.444013     10.721717      7.197085
  H      -6.181625      7.893513      7.063405
  H      -6.565752      0.304474      5.130266
  H      -6.970782      3.872995      8.084998
  H      -7.973994      5.955165      9.056366
  H      -9.830477      7.109968      7.869624
  H      -9.634348      4.148222      4.726292
  N      -5.586956      2.334198      3.362620
  H      -5.243120      1.523482      2.830469
  H      -5.446884      3.173435      2.793910
  H      -6.601391      2.213368      3.531563
75
Coordinates from ORCA-job orca E -13784.902067432186
  N      -2.593270      1.677066      4.623998
  Mo     -4.500694      2.223471      5.319151
  N      -4.841879      0.580943      6.417825
  C      -4.571449      0.689855      7.851369
  C      -3.204250      1.335011      7.977468
  N      -3.167927      2.548727      7.101745
  C      -1.791310      2.835787      6.608205
  C      -1.411183      1.907905      5.463592
  C      -3.731063      3.742669      7.786767
  C      -3.963979      4.854605      6.781489
  N      -4.610930      4.283405      5.591560
  H      -0.596517      2.378745      4.888639
  H      -1.025939      0.947381      5.845145
  H      -1.782934      3.872185      6.251164
  H      -1.067875      2.760621      7.436860
  H      -4.616576      5.624618      7.219279
  H      -3.031830      5.371788      6.500512
  H      -4.691855      3.434133      8.218855
  H      -3.065957      4.072801      8.603793
  H      -4.566000     -0.309087      8.318850
  H      -5.356043      1.292116      8.338981
  H      -2.438436      0.638933      7.608407
  H      -2.951965      1.606170      9.015394
  C      -2.594195      0.539920      3.907833
  N      -3.684525      0.132699      3.315994
  C      -3.870291     -1.129333      2.792405
  O      -4.524999     -1.324409      1.766979
  C      -3.326917     -2.283677      3.597056
  C      -2.999744     -3.481243      2.944832
  C      -2.491657     -4.556574      3.672629
  C      -2.327331     -4.466053      5.059354
  C      -2.684126     -3.277965      5.695656
  Br     -2.495536     -3.135282      7.596324
  C      -3.177551     -2.186132      4.988910
  C      -5.481640      5.091850      4.955862
  N      -5.673754      6.342017      5.283637
  C      -6.562330      7.053024      4.485101
  O      -6.777353      6.833403      3.288328
  C      -7.280518      8.151922      5.213720
  C      -8.317847      8.835434      4.566484
  C      -9.063006      9.789310      5.256729
  C      -8.787331     10.075083      6.597187
  C      -7.739741      9.397577      7.221235
  Br     -7.370635      9.748814      9.068123
  C      -6.980152      8.446597      6.551981
  C      -6.058297      0.942084      5.845781
  N      -6.585374      2.117880      6.375520
  C      -7.699178      2.637577      5.756666
  O      -8.248360      2.141958      4.746630
  C      -8.251963      3.881198      6.379433
  C      -7.774479      4.388625      7.597007
  C      -8.321419      5.552691      8.134776
  C      -9.360037      6.218869      7.478926
  C      -9.835739      5.696176      6.275915
  Br    -11.277837      6.575256      5.382185
  C      -9.292698      4.546476      5.712833
  H      -1.648461     -0.028235      3.851005
  H      -3.145787     -3.549183      1.866476
  H      -2.219150     -5.482360      3.163350
  H      -1.936140     -5.306189      5.632750
  H      -3.494182     -1.283003      5.515753
  H      -6.064114      4.644189      4.140855
  H      -8.540546      8.584198      3.529620
  H      -9.883514     10.308018      4.758514
  H      -9.382617     10.800398      7.150442
  H      -6.177806      7.907638      7.051120
  H      -6.601653      0.279988      5.166755
  H      -6.978263      3.853160      8.112134
  H      -7.941658      5.958068      9.074287
  H      -9.782429      7.137272      7.887187
  H      -9.654317      4.148585      4.765443
  N      -5.630530      2.291135      3.387830
  H      -5.281359      1.470303      2.872808
  H      -5.482587      3.119227      2.805131
  H      -6.644068      2.177779      3.556014
75
Coordinates from ORCA-job orca E -13784.902936403776
  N      -2.635667      1.670367      4.618242
  Mo     -4.530797      2.208311      5.350801
  N      -4.855995      0.568679      6.450125
  C      -4.563947      0.670939      7.880195
  C      -3.198353      1.323480      7.986442
  N      -3.183601      2.539055      7.112996
  C      -1.818003      2.838155      6.594762
  C      -1.446607      1.910507      5.447400
  C      -3.745493      3.725710      7.810585
  C      -4.001635      4.840667      6.813113
  N      -4.645403      4.266886      5.622219
  H      -0.641256      2.385952      4.863021
  H      -1.050195      0.953177      5.825484
  H      -1.827033      3.873712      6.236376
  H      -1.079703      2.772356      7.411328
  H      -4.665203      5.596695      7.258623
  H      -3.078803      5.374070      6.532308
  H      -4.696750      3.406877      8.255855
  H      -3.070090      4.055144      8.619612
  H      -4.543145     -0.330899      8.340708
  H      -5.343736      1.265152      8.384975
  H      -2.433170      0.634118      7.603122
  H      -2.931546      1.594010      9.020943
  C      -2.618874      0.545415      3.883377
  N      -3.693556      0.128137      3.270281
  C      -3.847545     -1.138506      2.745716
  O      -4.482315     -1.346276      1.710782
  C      -3.296733     -2.286074      3.557391
  C      -2.931870     -3.474555      2.909183
  C      -2.418119     -4.541912      3.644048
  C      -2.285372     -4.452593      5.033811
  C      -2.678263     -3.274679      5.665696
  Br     -2.531495     -3.134034      7.571023
  C      -3.177992     -2.189386      4.952775
  C      -5.506950      5.080614      4.979799
  N      -5.691111      6.332628      5.304427
  C      -6.562758      7.051523      4.491485
  O      -6.770218      6.822639      3.294922
  C      -7.269507      8.167679      5.201682
  C      -8.283150      8.868390      4.535412
  C      -9.019030      9.840942      5.208826
  C      -8.757145     10.127658      6.551653
  C      -7.732032      9.434325      7.194045
  Br     -7.384211      9.786875      9.045061
  C      -6.981750      8.464931      6.541764
  C      -6.080673      0.922475      5.896494
  N      -6.607833      2.096333      6.422704
  C      -7.724740      2.612008      5.804715
  O      -8.280397      2.108661      4.804044
  C      -8.262901      3.871328      6.410661
  C      -7.782809      4.386705      7.623223
  C      -8.314530      5.564813      8.144766
  C      -9.339074      6.239504      7.475866
  C      -9.817624      5.708500      6.277806
  Br    -11.238581      6.602427      5.364511
  C      -9.291462      4.543167      5.732528
  H      -1.663781     -0.007894      3.827379
  H      -3.054556     -3.541969      1.827831
  H      -2.116706     -5.460447      3.138018
  H      -1.889682     -5.286711      5.612986
  H      -3.517891     -1.293360      5.477324
  H      -6.080019      4.635804      4.156051
  H      -8.496548      8.615246      3.497055
  H      -9.822109     10.372904      4.696491
  H      -9.346771     10.866817      7.092444
  H      -6.198231      7.912467      7.055751
  H      -6.627379      0.257421      5.222288
  H      -6.998131      3.845345      8.149309
  H      -7.933288      5.975378      9.081422
  H      -9.747551      7.170184      7.870634
  H      -9.657217      4.137490      4.789823
  N      -5.670387      2.251396      3.428004
  H      -5.315435      1.422907      2.926263
  H      -5.519102      3.069448      2.832002
  H      -6.684063      2.141398      3.597764
75
Coordinates from ORCA-job orca E -13784.903684979741
  N      -2.677291      1.665032      4.613640
  Mo     -4.559020      2.193946      5.374992
  N      -4.868420      0.552670      6.470986
  C      -4.558398      0.647978      7.897812
  C      -3.195463      1.308294      7.990129
  N      -3.199799      2.527761      7.122667
  C      -1.844065      2.837406      6.583529
  C      -1.481362      1.910464      5.433476
  C      -3.760836      3.707500      7.832462
  C      -4.036666      4.824826      6.842192
  N      -4.676304      4.250369      5.648244
  H      -0.683254      2.388668      4.841519
  H      -1.078062      0.954248      5.807090
  H      -1.867957      3.871683      6.222530
  H      -1.093186      2.780821      7.389334
  H      -4.708979      5.569580      7.293090
  H      -3.120840      5.370912      6.563120
  H      -4.703615      3.380103      8.289507
  H      -3.076657      4.037159      8.634002
  H      -4.523553     -0.357378      8.349750
  H      -5.335504      1.233131      8.416970
  H      -2.431422      0.625286      7.593376
  H      -2.916778      1.575232      9.022479
  C      -2.643936      0.552852      3.858071
  N      -3.701899      0.128325      3.220764
  C      -3.825106     -1.141918      2.697100
  O      -4.432470     -1.363669      1.648691
  C      -3.271126     -2.278399      3.522693
  C      -2.879764     -3.464680      2.887188
  C      -2.363385     -4.520890      3.635543
  C      -2.253554     -4.422408      5.026680
  C      -2.671598     -3.246453      5.645218
  Br     -2.555003     -3.091684      7.552436
  C      -3.174968     -2.171473      4.919345
  C      -5.525835      5.068968      4.997040
  N      -5.706275      6.322436      5.319575
  C      -6.562418      7.046595      4.493163
  O      -6.760541      6.810923      3.296178
  C      -7.256924      8.179111      5.187474
  C      -8.248613      8.896405      4.505782
  C      -8.974019      9.885887      5.165498
  C      -8.723400     10.172789      6.510493
  C      -7.719659      9.463314      7.168373
  Br     -7.386704      9.817984      9.021916
  C      -6.979737      8.477125      6.529662
  C      -6.100331      0.903091      5.932189
  N      -6.622757      2.077568      6.458105
  C      -7.742934      2.591448      5.843019
  O      -8.305458      2.081451      4.850393
  C      -8.271166      3.859237      6.440559
  C      -7.789784      4.377570      7.651043
  C      -8.310545      5.564770      8.162477
  C      -9.324433      6.246926      7.484559
  C      -9.804214      5.712480      6.288562
  Br    -11.209018      6.618243      5.361244
  C      -9.290475      4.536928      5.754761
  H      -1.680703      0.013211      3.804966
  H      -2.984523     -3.539425      1.804372
  H      -2.041398     -5.437764      3.139209
  H      -1.855513     -5.248024      5.616341
  H      -3.531446     -1.276362      5.434168
  H      -6.089546      4.625884      4.165632
  H      -8.453831      8.643282      3.465717
  H      -9.759845     10.431721      4.641195
  H      -9.306023     10.925147      7.040763
  H      -6.212913      7.912113      7.055017
  H      -6.651046      0.235408      5.263683
  H      -7.012843      3.831775      8.184374
  H      -7.928913      5.977256      9.098191
  H      -9.723316      7.184811      7.871690
  H      -9.658887      4.127044      4.814935
  N      -5.702643      2.219001      3.457785
  H      -5.341047      1.385615      2.966582
  H      -5.548952      3.028792      2.850921
  H      -6.716730      2.110578      3.624316
75
Coordinates from ORCA-job orca E -13784.904313718389
  N      -2.709260      1.665415      4.603943
  Mo     -4.575590      2.182631      5.397949
  N      -4.865107      0.541035      6.494038
  C      -4.532393      0.630141      7.915573
  C      -3.171570      1.297693      7.988662
  N      -3.198251      2.520631      7.127508
  C      -1.855007      2.842450      6.564301
  C      -1.504368      1.916803      5.410369
  C      -3.756886      3.692753      7.851995
  C      -4.060326      4.810927      6.871039
  N      -4.701110      4.236043      5.677704
  H      -0.715408      2.397252      4.808276
  H      -1.093670      0.961446      5.778306
  H      -1.895465      3.875275      6.200465
  H      -1.089054      2.795306      7.356319
  H      -4.739104      5.543518      7.331942
  H      -3.154251      5.371172      6.587997
  H      -4.687853      3.355607      8.325874
  H      -3.060665      4.025498      8.641620
  H      -4.483709     -0.378610      8.358477
  H      -5.304965      1.206675      8.451063
  H      -2.411959      0.619460      7.575738
  H      -2.876982      1.561525      9.017379
  C      -2.662269      0.566376      3.828503
  N      -3.704683      0.138104      3.168217
  C      -3.797884     -1.134720      2.645014
  O      -4.380214     -1.368410      1.585023
  C      -3.256463     -2.262631      3.491458
  C      -2.839605     -3.447965      2.871914
  C      -2.335459     -4.497329      3.637320
  C      -2.263198     -4.393606      5.030528
  C      -2.707138     -3.218508      5.632754
  Br     -2.643212     -3.055631      7.542271
  C      -3.199843     -2.150196      4.890186
  C      -5.541524      5.056180      5.020090
  N      -5.721412      6.311253      5.340031
  C      -6.557583      7.040827      4.498256
  O      -6.739500      6.802296      3.299085
  C      -7.249516      8.183955      5.177567
  C      -8.212489      8.919903      4.474899
  C      -8.933116      9.923158      5.118487
  C      -8.707059     10.205144      6.468877
  C      -7.732387      9.476057      7.148825
  Br     -7.431844      9.825179      9.008831
  C      -6.996979      8.476240      6.525947
  C      -6.107261      0.885400      5.971048
  N      -6.632627      2.056471      6.500691
  C      -7.753228      2.567699      5.883987
  O      -8.315012      2.053168      4.892541
  C      -8.277066      3.841433      6.471575
  C      -7.804131      4.360660      7.684860
  C      -8.317692      5.556272      8.183412
  C      -9.314666      6.246910      7.488834
  C      -9.785707      5.711582      6.289748
  Br    -11.164542      6.631299      5.337326
  C      -9.280496      4.526325      5.770144
  H      -1.692527      0.038505      3.776440
  H      -2.914225     -3.527260      1.786924
  H      -1.992959     -5.413159      3.152831
  H      -1.874907     -5.214344      5.633227
  H      -3.576867     -1.256919      5.392900
  H      -6.098065      4.613175      4.183657
  H      -8.398203      8.671961      3.429832
  H      -9.695533     10.485082      4.576909
  H      -9.286326     10.969316      6.985994
  H      -6.252038      7.896990      7.066989
  H      -6.657597      0.213907      5.306278
  H      -7.039521      3.809467      8.230646
  H      -7.943789      5.968651      9.122313
  H      -9.707536      7.190846      7.866802
  H      -9.643392      4.114139      4.829197
  N      -5.726682      2.192749      3.486868
  H      -5.360820      1.357142      3.000307
  H      -5.574481      2.997149      2.872155
  H      -6.741377      2.085668      3.653495
75
Coordinates from ORCA-job orca E -13784.904802290042
  N      -2.763408      1.660194      4.617800
  Mo     -4.615972      2.163481      5.435094
  N      -4.884689      0.517600      6.529319
  C      -4.535466      0.604081      7.947076
  C      -3.178751      1.282350      8.006978
  N      -3.224974      2.508332      7.151059
  C      -1.892843      2.841290      6.569543
  C      -1.551044      1.915826      5.413567
  C      -3.785611      3.674225      7.884744
  C      -4.110627      4.792535      6.910210
  N      -4.747201      4.215778      5.715026
  H      -0.768470      2.396362      4.803584
  H      -1.136579      0.960664      5.777998
  H      -1.947849      3.872166      6.201400
  H      -1.115511      2.804274      7.350839
  H      -4.797079      5.514458      7.376355
  H      -3.212945      5.366122      6.626570
  H      -4.707091      3.327751      8.370288
  H      -3.082627      4.012906      8.665638
  H      -4.472507     -0.406666      8.383359
  H      -5.307009      1.170826      8.494254
  H      -2.420818      0.609719      7.582706
  H      -2.874057      1.543581      9.033344
  C      -2.701478      0.575798      3.820642
  N      -3.727788      0.141178      3.139025
  C      -3.792493     -1.131288      2.610243
  O      -4.340874     -1.370447      1.533177
  C      -3.231648     -2.252312      3.453217
  C      -2.788573     -3.423726      2.825183
  C      -2.262985     -4.468448      3.582588
  C      -2.193005     -4.374290      4.976788
  C      -2.662223     -3.213021      5.587192
  Br     -2.599109     -3.063276      7.498019
  C      -3.178511     -2.149922      4.853141
  C      -5.573185      5.037157      5.042591
  N      -5.747909      6.295887      5.352473
  C      -6.558811      7.028670      4.490274
  O      -6.726128      6.781347      3.290592
  C      -7.236788      8.194615      5.145475
  C      -8.165449      8.949041      4.416711
  C      -8.872803      9.976658      5.036424
  C      -8.668357     10.264542      6.389236
  C      -7.727927      9.515955      7.096063
  Br     -7.456317      9.873880      8.958757
  C      -7.005472      8.492244      6.496840
  C      -6.134033      0.856583      6.017192
  N      -6.651725      2.031509      6.548222
  C      -7.774809      2.545751      5.937288
  O      -8.354517      2.020960      4.961166
  C      -8.279352      3.830431      6.515650
  C      -7.793814      4.354499      7.722222
  C      -8.287797      5.562925      8.210327
  C      -9.275714      6.262309      7.511312
  C      -9.758307      5.723108      6.318422
  Br    -11.120732      6.657873      5.357596
  C      -9.274277      4.523879      5.810152
  H      -1.723584      0.063340      3.770502
  H      -2.859636     -3.495655      1.739466
  H      -1.900660     -5.372808      3.090958
  H      -1.787176     -5.191208      5.573003
  H      -3.574947     -1.269429      5.363769
  H      -6.121116      4.593962      4.200453
  H      -8.334641      8.697408      3.369645
  H      -9.607703     10.554384      4.473780
  H      -9.237814     11.048343      6.887481
  H      -6.286621      7.898846      7.057391
  H      -6.687740      0.181531      5.359423
  H      -7.035082      3.797889      8.270951
  H      -7.905095      5.978666      9.144200
  H      -9.652451      7.216020      7.881049
  H      -9.646054      4.107620      4.874531
  N      -5.768816      2.158670      3.525543
  H      -5.396925      1.323576      3.041399
  H      -5.620928      2.959297      2.904550
  H      -6.782576      2.048230      3.689504
75
Coordinates from ORCA-job orca E -13784.905214118973
  N      -2.794402      1.659997      4.607942
  Mo     -4.635116      2.151676      5.453158
  N      -4.884491      0.504914      6.549086
  C      -4.516771      0.589821      7.962037
  C      -3.161355      1.273129      8.003350
  N      -3.226287      2.500910      7.151311
  C      -1.906241      2.844638      6.551198
  C      -1.574784      1.919689      5.392532
  C      -3.785598      3.660564      7.896134
  C      -4.134548      4.779764      6.930786
  N      -4.773458      4.203296      5.737747
  H      -0.799003      2.400064      4.774048
  H      -1.155913      0.965167      5.753874
  H      -1.975049      3.874351      6.181231
  H      -1.116922      2.814850      7.320603
  H      -4.825359      5.490370      7.408144
  H      -3.247288      5.367175      6.642074
  H      -4.696128      3.305223      8.395612
  H      -3.073098      4.003710      8.666244
  H      -4.443853     -0.422120      8.393778
  H      -5.283117      1.151196      8.521970
  H      -2.409307      0.603109      7.565114
  H      -2.842010      1.532923      9.025505
  C      -2.724008      0.588244      3.795301
  N      -3.736861      0.153411      3.093986
  C      -3.774837     -1.122727      2.568829
  O      -4.303174     -1.374420      1.484995
  C      -3.222191     -2.233756      3.430609
  C      -2.766456     -3.408091      2.816538
  C      -2.244330     -4.444796      3.587424
  C      -2.189102     -4.339678      4.981472
  C      -2.669852     -3.175579      5.577788
  Br     -2.622834     -3.011076      7.487530
  C      -3.184310     -2.120994      4.830372
  C      -5.588422      5.026765      5.056457
  N      -5.758683      6.287287      5.362995
  C      -6.546584      7.027715      4.488555
  O      -6.697832      6.782504      3.286065
  C      -7.223629      8.202154      5.131408
  C      -8.118709      8.976135      4.381414
  C      -8.821181     10.016425      4.985545
  C      -8.647157     10.296577      6.344226
  C      -7.741909      9.526196      7.073404
  Br     -7.511306      9.873946      8.943292
  C      -7.023539      8.490698      6.489605
  C      -6.141620      0.836252      6.048377
  N      -6.665656      2.005958      6.585627
  C      -7.788755      2.519484      5.974730
  O      -8.368107      1.995369      4.997166
  C      -8.289548      3.806397      6.549512
  C      -7.820800      4.318502      7.767988
  C      -8.307448      5.532059      8.251123
  C      -9.268198      6.249798      7.533498
  C      -9.733100      5.723853      6.327706
  Br    -11.052392      6.688841      5.338426
  C      -9.259264      4.517357      5.826368
  H      -1.743982      0.079411      3.748919
  H      -2.824512     -3.488168      1.730696
  H      -1.872569     -5.351052      3.106512
  H      -1.785290     -5.149832      5.588099
  H      -3.588439     -1.238593      5.331830
  H      -6.134347      4.585447      4.212013
  H      -8.263852      8.731486      3.329089
  H      -9.527999     10.611222      4.404976
  H      -9.211505     11.091916      6.829699
  H      -6.330442      7.882351      7.066306
  H      -6.691943      0.156424      5.392905
  H      -7.082199      3.748261      8.329847
  H      -7.939632      5.937131      9.195577
  H      -9.638840      7.207346      7.899446
  H      -9.618302      4.109904      4.881939
  N      -5.791229      2.135771      3.545407
  H      -5.416777      1.302903      3.058518
  H      -5.647453      2.935845      2.922644
  H      -6.804392      2.023608      3.712322
75
Coordinates from ORCA-job orca E -13784.905535676462
  N      -2.826551      1.668328      4.621638
  Mo     -4.658684      2.139889      5.490883
  N      -4.879560      0.489796      6.588706
  C      -4.497091      0.578975      7.997475
  C      -3.148434      1.277026      8.022953
  N      -3.236587      2.504003      7.171768
  C      -1.928990      2.863240      6.554929
  C      -1.601434      1.937877      5.395533
  C      -3.803127      3.656297      7.923084
  C      -4.177125      4.773296      6.963913
  N      -4.811942      4.191885      5.771852
  H      -0.833380      2.419796      4.768871
  H      -1.175071      0.986341      5.756357
  H      -2.015719      3.890540      6.181724
  H      -1.129373      2.846036      7.314053
  H      -4.876995      5.469922      7.449027
  H      -3.302467      5.378209      6.672685
  H      -4.702923      3.288333      8.432520
  H      -3.086542      4.008890      8.685182
  H      -4.407767     -0.432056      8.428230
  H      -5.263186      1.131151      8.566916
  H      -2.395415      0.614676      7.575090
  H      -2.819901      1.539688      9.041444
  C      -2.743667      0.609195      3.793131
  N      -3.745142      0.167845      3.079095
  C      -3.759518     -1.103354      2.538426
  O      -4.272741     -1.347482      1.445891
  C      -3.211009     -2.222161      3.393803
  C      -2.736270     -3.381727      2.765206
  C      -2.213599     -4.427206      3.523775
  C      -2.176784     -4.346723      4.919917
  C      -2.677387     -3.198745      5.530859
  Br     -2.657485     -3.071131      7.443559
  C      -3.193350     -2.136063      4.795946
  C      -5.615907      5.013336      5.076216
  N      -5.781703      6.277371      5.371795
  C      -6.541794      7.020398      4.476763
  O      -6.672446      6.768370      3.272955
  C      -7.215764      8.210574      5.094870
  C      -8.064917      9.004117      4.312522
  C      -8.758637     10.066125      4.888569
  C      -8.623765     10.347310      6.251435
  C      -7.766619      9.554534      7.013999
  Br     -7.589932      9.904376      8.889311
  C      -7.055952      8.498465      6.458340
  C      -6.144061      0.807146      6.098163
  N      -6.670473      1.975905      6.636689
  C      -7.798653      2.486524      6.032499
  O      -8.388193      1.956283      5.064835
  C      -8.286764      3.781377      6.599849
  C      -7.819075      4.290099      7.820298
  C      -8.292179      5.511605      8.297172
  C      -9.235738      6.241675      7.569753
  C      -9.698865      5.720234      6.361222
  Br    -10.991840      6.705123      5.358334
  C      -9.240804      4.504297      5.867662
  H      -1.754179      0.118788      3.745264
  H      -2.779131     -3.442253      1.677450
  H      -1.827152     -5.321039      3.031337
  H      -1.772885     -5.163750      5.517215
  H      -3.615541     -1.270111      5.310341
  H      -6.155230      4.570440      4.228351
  H      -8.179272      8.759712      3.256353
  H      -9.427361     10.678306      4.281479
  H      -9.179971     11.161418      6.714763
  H      -6.397816      7.875525      7.059995
  H      -6.693275      0.121066      5.448405
  H      -7.093501      3.710223      8.389210
  H      -7.927394      5.912475      9.244603
  H      -9.596677      7.204819      7.930759
  H      -9.599779      4.098890      4.922291
  N      -5.817825      2.105118      3.584255
  H      -5.433399      1.279471      3.091932
  H      -5.687444      2.907850      2.961852
  H      -6.828473      1.979828      3.755006
75
Coordinates from ORCA-job orca E -13784.905818699954
  N      -2.864043      1.673227      4.619487
  Mo     -4.690083      2.125314      5.514119
  N      -4.886916      0.468678      6.608739
  C      -4.490923      0.558060      8.013757
  C      -3.146884      1.265003      8.025907
  N      -3.252969      2.494278      7.179799
  C      -1.955705      2.866241      6.550339
  C      -1.633766      1.945642      5.385505
  C      -3.823169      3.638881      7.940292
  C      -4.215904      4.757731      6.990423
  N      -4.851479      4.176802      5.799820
  H      -0.872123      2.431022      4.753926
  H      -1.201956      0.994628      5.741318
  H      -2.054609      3.893880      6.180930
  H      -1.147515      2.852971      7.300477
  H      -4.920261      5.442721      7.486081
  H      -3.351356      5.375955      6.696969
  H      -4.714554      3.260367      8.456366
  H      -3.102545      3.994879      8.697148
  H      -4.390192     -0.452815      8.442543
  H      -5.254345      1.103583      8.593275
  H      -2.395672      0.609587      7.565078
  H      -2.807135      1.525820      9.041212
  C      -2.775966      0.623534      3.780700
  N      -3.769999      0.180731      3.057740
  C      -3.764028     -1.091706      2.516357
  O      -4.261768     -1.340621      1.418405
  C      -3.201411     -2.203434      3.371888
  C      -2.715560     -3.357281      2.740131
  C      -2.177493     -4.397354      3.495362
  C      -2.134463     -4.316792      4.891216
  C      -2.644325     -3.174880      5.505635
  Br     -2.612773     -3.048272      7.417841
  C      -3.176326     -2.117962      4.773658
  C      -5.643031      5.000789      5.093765
  N      -5.799263      6.268079      5.381119
  C      -6.527616      7.017148      4.466306
  O      -6.630912      6.763623      3.259805
  C      -7.200016      8.220161      5.061252
  C      -7.990087      9.040839      4.245638
  C      -8.678317     10.120200      4.795612
  C      -8.598865     10.390255      6.165069
  C      -7.801561      9.568771      6.961079
  Br     -7.703115      9.903164      8.845020
  C      -7.095330      8.496381      6.432016
  C      -6.157471      0.777479      6.129349
  N      -6.684643      1.943465      6.674454
  C      -7.814395      2.459117      6.077822
  O      -8.414859      1.932525      5.115607
  C      -8.286956      3.759282      6.647376
  C      -7.822856      4.252023      7.875783
  C      -8.280019      5.478325      8.356539
  C      -9.200343      6.230762      7.622698
  C      -9.658198      5.726689      6.404687
  Br    -10.913736      6.747566      5.391648
  C      -9.219036      4.504432      5.909231
  H      -1.787782      0.129945      3.732615
  H      -2.763081     -3.417197      1.652575
  H      -1.783801     -5.286622      3.000431
  H      -1.717826     -5.129020      5.486390
  H      -3.603196     -1.257222      5.292875
  H      -6.178918      4.559866      4.242750
  H      -8.062599      8.804591      3.183943
  H      -9.299914     10.754703      4.161849
  H      -9.150627     11.218309      6.608200
  H      -6.482560      7.852855      7.059495
  H      -6.706356      0.089081      5.481626
  H      -7.114352      3.654938      8.448430
  H      -7.920332      5.864938      9.311810
  H      -9.548379      7.198241      7.985518
  H      -9.574967      4.111957      4.957201
  N      -5.852839      2.082455      3.610407
  H      -5.464753      1.265566      3.105727
  H      -5.733413      2.891532      2.994017
  H      -6.861063      1.948195      3.788378
75
Coordinates from ORCA-job orca E -13784.906026773675
  N      -2.887089      1.681765      4.628741
  Mo     -4.709925      2.114554      5.541154
  N      -4.883796      0.451056      6.631392
  C      -4.479176      0.541499      8.033830
  C      -3.141317      1.260058      8.038061
  N      -3.264193      2.490700      7.195807
  C      -1.975331      2.875961      6.556720
  C      -1.654223      1.959097      5.388809
  C      -3.839689      3.628402      7.963252
  C      -4.247895      4.747554      7.019967
  N      -4.882190      4.165173      5.829680
  H      -0.898107      2.448911      4.754067
  H      -1.215953      1.009897      5.741607
  H      -2.087160      3.903199      6.189879
  H      -1.161264      2.869354      7.300638
  H      -4.957906      5.421482      7.522940
  H      -3.392118      5.377609      6.726075
  H      -4.724392      3.240137      8.483393
  H      -3.117272      3.987287      8.717094
  H      -4.366044     -0.468829      8.461052
  H      -5.242781      1.079210      8.620381
  H      -2.387941      0.613404      7.568577
  H      -2.795201      1.520788      9.051241
  C      -2.792928      0.640620      3.779888
  N      -3.784294      0.195739      3.054046
  C      -3.765794     -1.070367      2.496907
  O      -4.259078     -1.310403      1.395188
  C      -3.196410     -2.185437      3.342710
  C      -2.710111     -3.334630      2.702502
  C      -2.165858     -4.377033      3.449979
  C      -2.116529     -4.302848      4.846036
  C      -2.625818     -3.165349      5.468845
  Br     -2.584851     -3.047163      7.381333
  C      -3.163936     -2.106229      4.744324
  C      -5.664765      4.990142      5.115048
  N      -5.816170      6.260088      5.394038
  C      -6.524436      7.007280      4.461655
  O      -6.612006      6.740240      3.256618
  C      -7.190370      8.226421      5.029627
  C      -7.937045      9.058795      4.185258
  C      -8.613552     10.159598      4.706483
  C      -8.566209     10.439449      6.075563
  C      -7.814311      9.604266      6.900639
  Br     -7.759991      9.953952      8.783954
  C      -7.118911      8.510752      6.400707
  C      -6.159076      0.750271      6.161194
  N      -6.689464      1.913927      6.708884
  C      -7.824493      2.426590      6.118795
  O      -8.432835      1.896881      5.164506
  C      -8.289696      3.730107      6.688497
  C      -7.832336      4.212475      7.923399
  C      -8.280781      5.441479      8.405425
  C      -9.183096      6.208340      7.664463
  C      -9.632928      5.715302      6.438871
  Br    -10.857973      6.761340      5.414596
  C      -9.205778      4.488682      5.944152
  H      -1.796746      0.163904      3.725886
  H      -2.763128     -3.388810      1.614908
  H      -1.772395     -5.262881      2.948837
  H      -1.694727     -5.116578      5.435581
  H      -3.588351     -1.248496      5.270796
  H      -6.196852      4.547749      4.262498
  H      -7.983874      8.816205      3.123537
  H      -9.198600     10.805304      4.049655
  H      -9.106172     11.286940      6.496185
  H      -6.537874      7.860080      7.050523
  H      -6.707931      0.059339      5.516038
  H      -7.136924      3.604578      8.500739
  H      -7.928150      5.818766      9.367013
  H      -9.524823      7.177620      8.027938
  H      -9.557947      4.103810      4.987554
  N      -5.876118      2.063991      3.640753
  H      -5.479128      1.258679      3.123973
  H      -5.772380      2.881473      3.032643
  H      -6.880689      1.913387      3.825006
75
Coordinates from ORCA-job orca E -13784.906129862526
  N      -2.920555      1.700527      4.629848
  Mo     -4.740088      2.103520      5.571115
  N      -4.884961      0.428941      6.651839
  C      -4.467771      0.517193      8.050311
  C      -3.138040      1.248898      8.045909
  N      -3.280979      2.483661      7.212877
  C      -2.001713      2.885283      6.563908
  C      -1.684398      1.980994      5.384983
  C      -3.861945      3.611116      7.991252
  C      -4.285993      4.732335      7.057801
  N      -4.919864      4.151315      5.867510
  H      -0.936326      2.481439      4.749042
  H      -1.236933      1.032074      5.726810
  H      -2.125311      3.915069      6.208673
  H      -1.180116      2.878136      7.299509
  H      -5.000677      5.393933      7.570832
  H      -3.439447      5.374901      6.764445
  H      -4.740563      3.211017      8.512630
  H      -3.139089      3.970824      8.744245
  H      -4.341535     -0.493244      8.473570
  H      -5.230993      1.045509      8.646179
  H      -2.383313      0.613900      7.562726
  H      -2.782592      1.506132      9.056785
  C      -2.819172      0.664920      3.773786
  N      -3.806754      0.215497      3.044904
  C      -3.770391     -1.045624      2.477293
  O      -4.263070     -1.283117      1.374926
  C      -3.187617     -2.161146      3.314163
  C      -2.683228     -3.296361      2.663470
  C      -2.129366     -4.340182      3.401225
  C      -2.088115     -4.281820      4.798228
  C      -2.615786     -3.158833      5.431991
  Br     -2.587463     -3.062127      7.345648
  C      -3.164620     -2.098747      4.716458
  C      -5.685236      4.980406      5.141462
  N      -5.823053      6.255484      5.406848
  C      -6.504395      7.000073      4.451816
  O      -6.572752      6.715345      3.249259
  C      -7.167318      8.234168      4.988152
  C      -7.858051      9.080410      4.110617
  C      -8.533972     10.195709      4.600187
  C      -8.543086     10.475958      5.970037
  C      -7.847032      9.626201      6.828434
  Br     -7.872631      9.975892      8.712615
  C      -7.150418      8.518913      6.360600
  C      -6.167196      0.717800      6.196565
  N      -6.695931      1.880879      6.749712
  C      -7.837025      2.393568      6.171573
  O      -8.460152      1.860698      5.229481
  C      -8.285393      3.704444      6.739533
  C      -7.822811      4.180177      7.974706
  C      -8.253147      5.415857      8.455831
  C      -9.141084      6.196649      7.712065
  C      -9.596250      5.709750      6.485755
  Br    -10.799773      6.777653      5.458605
  C      -9.188429      4.476010      5.993102
  H      -1.824206      0.186196      3.715405
  H      -2.730338     -3.337864      1.575022
  H      -1.721790     -5.214755      2.891617
  H      -1.658987     -5.096857      5.380662
  H      -3.603252     -1.254351      5.252271
  H      -6.217945      4.536572      4.290224
  H      -7.862995      8.836731      3.048144
  H      -9.074296     10.853178      3.917201
  H      -9.083534     11.335210      6.365721
  H      -6.610813      7.859086      7.036445
  H      -6.719327      0.027853      5.553466
  H      -7.137467      3.561762      8.553133
  H      -7.897783      5.786682      9.418893
  H      -9.468158      7.171469      8.073950
  H      -9.545941      4.096643      5.036258
  N      -5.918199      2.044689      3.680899
  H      -5.513266      1.254798      3.146503
  H      -5.835316      2.874086      3.085617
  H      -6.918069      1.877503      3.875269
75
Coordinates from ORCA-job orca E -13784.906158393294
  N      -2.918202      1.705095      4.635298
  Mo     -4.739597      2.101170      5.575607
  N      -4.879411      0.426516      6.655843
  C      -4.461831      0.514593      8.054061
  C      -3.133435      1.249665      8.048988
  N      -3.281215      2.485075      7.218269
  C      -2.003669      2.891560      6.568069
  C      -1.683302      1.988158      5.390289
  C      -3.862666      3.610290      8.000041
  C      -4.294605      4.729906      7.068012
  N      -4.930292      4.146040      5.879351
  H      -0.936327      2.491021      4.754828
  H      -1.233391      1.040405      5.732059
  H      -2.132377      3.920328      6.211778
  H      -1.181953      2.889130      7.303553
  H      -5.010888      5.388565      7.582343
  H      -3.450740      5.374666      6.772091
  H      -4.737679      3.207459      8.525632
  H      -3.137340      3.971204      8.749922
  H      -4.332172     -0.496279      8.475195
  H      -5.226018      1.040157      8.651025
  H      -2.377774      0.617148      7.564032
  H      -2.777024      1.506393      9.059617
  C      -2.815768      0.672132      3.776236
  N      -3.806681      0.222207      3.052573
  C      -3.770532     -1.035095      2.477105
  O      -4.259598     -1.264736      1.371141
  C      -3.185274     -2.155544      3.305711
  C      -2.679473     -3.286935      2.650091
  C      -2.125679     -4.333890      3.383439
  C      -2.086626     -4.282756      4.780824
  C      -2.616032     -3.163415      5.419238
  Br     -2.591320     -3.075321      7.333751
  C      -3.164410     -2.099622      4.708787
  C      -5.702080      4.972260      5.156634
  N      -5.848379      6.246814      5.421170
  C      -6.536709      6.982709      4.462634
  O      -6.612853      6.683491      3.263975
  C      -7.184133      8.230621      4.984289
  C      -7.864209      9.073900      4.095488
  C      -8.512969     10.212569      4.566983
  C      -8.505882     10.520412      5.930877
  C      -7.827480      9.669136      6.802357
  Br     -7.831301     10.056971      8.679213
  C      -7.157613      8.537671      6.352100
  C      -6.163518      0.710908      6.201970
  N      -6.701348      1.867068      6.758037
  C      -7.842327      2.377537      6.177877
  O      -8.460761      1.847186      5.230921
  C      -8.293981      3.684825      6.750173
  C      -7.840279      4.150205      7.992439
  C      -8.269725      5.383966      8.478070
  C      -9.147252      6.173796      7.731516
  C      -9.591118      5.698621      6.496499
  Br    -10.774937      6.782564      5.462251
  C      -9.186074      4.465456      6.000080
  H      -1.817705      0.201141      3.711924
  H      -2.725083     -3.323188      1.561351
  H      -1.716409     -5.205497      2.870161
  H      -1.657803     -5.100621      5.359468
  H      -3.604056     -1.257526      5.247221
  H      -6.230913      4.525104      4.304662
  H      -7.877150      8.812889      3.037201
  H      -9.039655     10.870712      3.874166
  H      -9.018272     11.404558      6.310271
  H      -6.626099      7.880499      7.036934
  H      -6.711622      0.018780      5.557514
  H      -7.162375      3.525507      8.572817
  H      -7.922626      5.745951      9.447503
  H      -9.475904      7.144917      8.100027
  H      -9.537272      4.093570      5.037980
  N      -5.918042      2.041212      3.686085
  H      -5.505203      1.257497      3.148599
  H      -5.844713      2.874579      3.095122
  H      -6.916468      1.862548      3.879190
75
Coordinates from ORCA-job orca E -13784.906182566718
  N      -2.921538      1.702955      4.636153
  Mo     -4.742337      2.101092      5.577773
  N      -4.883624      0.425645      6.657124
  C      -4.465962      0.513465      8.055480
  C      -3.136925      1.247164      8.050899
  N      -3.283666      2.482683      7.220014
  C      -2.005752      2.888249      6.569794
  C      -1.686595      1.984757      5.391683
  C      -3.864133      3.608195      8.001980
  C      -4.293765      4.728906      7.070218
  N      -4.927559      4.146604      5.879794
  H      -0.938659      2.486812      4.756635
  H      -1.237775      1.036458      5.733461
  H      -2.133510      3.917250      6.213761
  H      -1.183869      2.884661      7.305094
  H      -5.010636      5.387236      7.584284
  H      -3.449523      5.374065      6.776121
  H      -4.740380      3.206122      8.526102
  H      -3.139498      3.967915      8.753071
  H      -4.338211     -0.497507      8.476917
  H      -5.229911      1.040517      8.651522
  H      -2.381616      0.613633      7.566795
  H      -2.781019      1.503944      9.061695
  C      -2.818399      0.669468      3.777284
  N      -3.808115      0.220568      3.050804
  C      -3.770533     -1.035841      2.474083
  O      -4.262939     -1.266564      1.369838
  C      -3.184483     -2.155331      3.303002
  C      -2.682854     -3.288800      2.647864
  C      -2.127682     -4.334968      3.381375
  C      -2.082387     -4.280552      4.778492
  C      -2.606865     -3.158419      5.416459
  Br     -2.571888     -3.065215      7.330456
  C      -3.156824     -2.095607      4.705806
  C      -5.693462      4.974764      5.153799
  N      -5.835243      6.250213      5.416752
  C      -6.523099      6.985932      4.458003
  O      -6.602519      6.685875      3.259774
  C      -7.173443      8.231373      4.981820
  C      -7.860612      9.071543      4.095631
  C      -8.520683     10.202000      4.571210
  C      -8.517908     10.504466      5.936370
  C      -7.828679      9.658500      6.804596
  Br     -7.839513     10.037277      8.683160
  C      -7.147448      8.535591      6.350240
  C      -6.167568      0.712786      6.204161
  N      -6.700581      1.872646      6.758717
  C      -7.842278      2.383555      6.179950
  O      -8.464093      1.850213      5.236733
  C      -8.291478      3.693003      6.749071
  C      -7.837147      4.160913      7.990239
  C      -8.266115      5.395972      8.473261
  C      -9.143733      6.184544      7.725299
  C      -9.589642      5.706120      6.492244
  Br    -10.777757      6.785303      5.457981
  C      -9.184227      4.472055      5.997922
  H      -1.817925      0.203505      3.714635
  H      -2.733040     -3.327581      1.559414
  H      -1.722011     -5.208494      2.868439
  H      -1.652263     -5.097682      5.357192
  H      -3.591262     -1.250477      5.243870
  H      -6.224352      4.528313      4.302781
  H      -7.873691      8.812131      3.036953
  H      -9.056067     10.855913      3.880987
  H      -9.042890     11.379619      6.318761
  H      -6.610743      7.880393      7.032946
  H      -6.718421      0.022056      5.560688
  H      -7.159211      3.537293      8.571688
  H      -7.918354      5.760003      9.441677
  H      -9.470504      7.157503      8.091490
  H      -9.535979      4.098556      5.036663
  N      -5.922622      2.040144      3.689048
  H      -5.507187      1.257703      3.151532
  H      -5.851819      2.874469      3.099158
  H      -6.920599      1.859036      3.881864
75
Coordinates from ORCA-job orca E -13784.906190767715
  N      -2.915410      1.704633      4.632971
  Mo     -4.738716      2.104276      5.571532
  N      -4.882259      0.427350      6.648752
  C      -4.466921      0.513790      8.048252
  C      -3.137190      1.246123      8.046671
  N      -3.281452      2.482643      7.216712
  C      -2.001731      2.886852      6.569473
  C      -1.681584      1.983987      5.391172
  C      -3.861459      3.608108      7.998931
  C      -4.287613      4.730346      7.067340
  N      -4.920434      4.149804      5.875214
  H      -0.931663      2.485827      4.758249
  H      -1.234590      1.034747      5.732766
  H      -2.127177      3.916281      6.213711
  H      -1.181435      2.881493      7.306522
  H      -5.004124      5.389907      7.580256
  H      -3.441683      5.374010      6.774833
  H      -4.739429      3.207061      8.520975
  H      -3.137830      3.966219      8.751736
  H      -4.341460     -0.497735      8.469014
  H      -5.231589      1.041580      8.642628
  H      -2.381576      0.612004      7.563860
  H      -2.783209      1.501570      9.058483
  C      -2.814291      0.669336      3.776181
  N      -3.804988      0.221513      3.050316
  C      -3.769160     -1.036308      2.476235
  O      -4.259626     -1.268176      1.371315
  C      -3.186798     -2.155801      3.307804
  C      -2.684025     -3.290176      2.655106
  C      -2.131786     -4.336217      3.391248
  C      -2.090988     -4.280954      4.788522
  C      -2.617092     -3.158023      5.423843
  Br     -2.589077     -3.063944      7.338006
  C      -3.163912     -2.095296      4.710831
  C      -5.684780      4.979289      5.148955
  N      -5.826283      6.254421      5.413516
  C      -6.512979      6.991244      4.454763
  O      -6.588369      6.695758      3.255193
  C      -7.169546      8.232141      4.981997
  C      -7.860119      9.071679      4.097820
  C      -8.527506     10.196530      4.576687
  C      -8.529138     10.493620      5.943113
  C      -7.836360      9.648430      6.809294
  Br     -7.853076     10.019268      8.689301
  C      -7.147715      8.531454      6.351663
  C      -6.165669      0.717454      6.195155
  N      -6.696031      1.877909      6.751134
  C      -7.839822      2.388143      6.176029
  O      -8.462684      1.854707      5.233304
  C      -8.290465      3.695816      6.747674
  C      -7.829795      4.165884      7.985880
  C      -8.260283      5.399599      8.471224
  C      -9.146417      6.184316      7.729174
  C      -9.599637      5.703345      6.499852
  Br    -10.801319      6.775504      5.474169
  C      -9.192168      4.470824      6.002844
  H      -1.816946      0.196584      3.715233
  H      -2.730494     -3.329859      1.566517
  H      -1.724956     -5.210389      2.880298
  H      -1.663402     -5.098108      5.369066
  H      -3.601146     -1.249932      5.246230
  H      -6.213903      4.534905      4.295713
  H      -7.870091      8.815994      3.038179
  H      -9.065685     10.849946      3.888126
  H      -9.060402     11.364121      6.327222
  H      -6.608638      7.876447      7.032690
  H      -6.717607      0.027711      5.551597
  H      -7.145262      3.545382      8.562878
  H      -7.906916      5.765650      9.436859
  H      -9.474236      7.156126      8.097792
  H      -9.549352      4.095740      5.044196
  N      -5.920571      2.045646      3.683035
  H      -5.508281      1.258896      3.149320
  H      -5.845863      2.877758      3.090543
  H      -6.919411      1.869822      3.874859
75
Coordinates from ORCA-job orca E -13784.906199606907
  N      -2.917641      1.704967      4.634671
  Mo     -4.740232      2.104036      5.575162
  N      -4.883774      0.428664      6.654145
  C      -4.466143      0.514870      8.052936
  C      -3.135712      1.246025      8.048530
  N      -3.281102      2.482635      7.219112
  C      -2.002373      2.887304      6.570021
  C      -1.683284      1.983957      5.392001
  C      -3.859693      3.607805      8.002921
  C      -4.289093      4.729800      7.072358
  N      -4.922380      4.148686      5.880820
  H      -0.933366      2.485066      4.758499
  H      -1.236698      1.034567      5.733711
  H      -2.129030      3.916351      6.213530
  H      -1.181151      2.883026      7.306038
  H      -5.006128      5.388170      7.586053
  H      -3.444472      5.374579      6.778567
  H      -4.735959      3.206381      8.527462
  H      -3.134164      3.966323      8.753664
  H      -4.341049     -0.496814      8.473329
  H      -5.229449      1.043453      8.648328
  H      -2.381910      0.611035      7.564100
  H      -2.779384      1.501043      9.059633
  C      -2.817359      0.669812      3.777569
  N      -3.809407      0.222415      3.052822
  C      -3.772933     -1.034618      2.476713
  O      -4.266285     -1.265543      1.372900
  C      -3.187545     -2.155120      3.304796
  C      -2.684722     -3.287169      2.648229
  C      -2.129927     -4.334558      3.380523
  C      -2.086219     -4.282898      4.777813
  C      -2.612236     -3.162113      5.416992
  Br     -2.579908     -3.073220      7.331402
  C      -3.161864     -2.098204      4.708065
  C      -5.684563      4.978203      5.152733
  N      -5.825330      6.254001      5.415770
  C      -6.509646      6.989656      4.454188
  O      -6.582969      6.692314      3.254952
  C      -7.167260      8.231424      4.978091
  C      -7.852155      9.071876      4.090336
  C      -8.523287     10.195734      4.566194
  C      -8.534824     10.490699      5.933054
  C      -7.846357      9.645517      6.802592
  Br     -7.876824     10.012989      8.683010
  C      -7.153727      8.529795      6.348045
  C      -6.167966      0.718187      6.201990
  N      -6.698435      1.878228      6.757867
  C      -7.840766      2.389939      6.181166
  O      -8.463943      1.856780      5.238423
  C      -8.289914      3.698348      6.751921
  C      -7.833238      4.165523      7.992768
  C      -8.262129      5.400015      8.477585
  C      -9.142012      6.188688      7.732267
  C      -9.590919      5.710771      6.500269
  Br    -10.782994      6.788411      5.469252
  C      -9.185289      4.477366      6.003732
  H      -1.820762      0.195686      3.715678
  H      -2.733217     -3.324234      1.559652
  H      -1.723247     -5.206999      2.866508
  H      -1.656570     -5.101147      5.355239
  H      -3.598616     -1.254484      5.246396
  H      -6.212668      4.533801      4.298898
  H      -7.855621      8.816938      3.030481
  H      -9.057962     10.849338      3.875088
  H      -9.071268     11.359278      6.314080
  H      -6.618939      7.874043      7.031742
  H      -6.719531      0.028065      5.558529
  H      -7.153377      3.542143      8.572203
  H      -7.912082      5.763676      9.445323
  H      -9.466752      7.161752      8.100461
  H      -9.538779      4.105175      5.042610
  N      -5.924092      2.042466      3.687646
  H      -5.509400      1.257125      3.153635
  H      -5.853139      2.875039      3.095297
  H      -6.922441      1.863767      3.879459
75
Coordinates from ORCA-job orca E -13784.906206868689
  N      -2.921715      1.706052      4.635286
  Mo     -4.745608      2.101697      5.576211
  N      -4.887673      0.424615      6.652465
  C      -4.469558      0.508345      8.051407
  C      -3.140026      1.241348      8.048105
  N      -3.287168      2.479217      7.220930
  C      -2.008982      2.886846      6.572408
  C      -1.688132      1.985414      5.393433
  C      -3.866606      3.602371      8.006883
  C      -4.297522      4.725517      7.078271
  N      -4.928639      4.145441      5.885148
  H      -0.938482      2.488379      4.761049
  H      -1.240340      1.036198      5.734069
  H      -2.137660      3.915981      6.216872
  H      -1.187889      2.883409      7.308553
  H      -5.016389      5.381454      7.592509
  H      -3.454065      5.372465      6.785957
  H      -4.742253      3.199166      8.531012
  H      -3.141212      3.960356      8.757960
  H      -4.343434     -0.504107      8.469557
  H      -5.233467      1.034999      8.647693
  H      -2.385396      0.608083      7.562711
  H      -2.784063      1.495114      9.059645
  C      -2.820237      0.671789      3.777421
  N      -3.812219      0.223279      3.053511
  C      -3.772180     -1.032975      2.476027
  O      -4.266231     -1.264557      1.372703
  C      -3.182526     -2.152358      3.302695
  C      -2.675622     -3.281774      2.644861
  C      -2.117178     -4.328051      3.376022
  C      -2.073807     -4.277937      4.773352
  C      -2.603985     -3.159781      5.413720
  Br     -2.572245     -3.073192      7.328331
  C      -3.157292     -2.097076      4.706092
  C      -5.690179      4.974994      5.156477
  N      -5.830945      6.251213      5.418830
  C      -6.517156      6.984570      4.456459
  O      -6.595499      6.682140      3.258925
  C      -7.169677      8.230979      4.976386
  C      -7.855116      9.068309      4.086033
  C      -8.519845     10.197842      4.557253
  C      -8.524362     10.502142      5.922061
  C      -7.836079      9.659627      6.794397
  Br     -7.855924     10.040588      8.672246
  C      -7.149886      8.538007      6.344359
  C      -6.172528      0.714154      6.202200
  N      -6.702243      1.873435      6.760094
  C      -7.844907      2.386735      6.185340
  O      -8.471467      1.853611      5.244872
  C      -8.289538      3.696606      6.755557
  C      -7.830536      4.162327      7.996092
  C      -8.254786      5.398294      8.480881
  C      -9.132340      6.189847      7.735977
  C      -9.583219      5.713657      6.504129
  Br    -10.771137      6.795473      5.472810
  C      -9.182187      4.478734      6.007525
  H      -1.822405      0.200424      3.714579
  H      -2.723795     -3.317907      1.556255
  H      -1.707351     -5.198453      2.861076
  H      -1.641328     -5.095377      5.349754
  H      -3.597337     -1.255486      5.244947
  H      -6.217409      4.530623      4.302118
  H      -7.863152      8.806919      3.027793
  H      -9.054209     10.849437      3.864031
  H      -9.055426     11.376148      6.298460
  H      -6.614176      7.885023      7.029993
  H      -6.724499      0.025231      5.557921
  H      -7.152915      3.536495      8.575461
  H      -7.903133      5.760782      9.448472
  H      -9.452993      7.163873      8.104793
  H      -9.537270      4.108119      5.046398
  N      -5.931886      2.038797      3.689840
  H      -5.512501      1.255727      3.156095
  H      -5.864984      2.872103      3.098061
  H      -6.929477      1.855121      3.880727
75
Coordinates from ORCA-job orca E -13784.906212305621
  N      -2.921213      1.706803      4.635647
  Mo     -4.745653      2.102269      5.576301
  N      -4.887307      0.424730      6.651868
  C      -4.468370      0.507280      8.050662
  C      -3.138692      1.240061      8.046939
  N      -3.286412      2.478507      7.220920
  C      -2.008631      2.887165      6.572125
  C      -1.687448      1.985909      5.393178
  C      -3.865183      3.600835      8.008460
  C      -4.296762      4.724827      7.081187
  N      -4.927561      4.145764      5.887432
  H      -0.937803      2.488914      4.760810
  H      -1.239580      1.036693      5.733724
  H      -2.138595      3.916002      6.216228
  H      -1.187369      2.884831      7.308094
  H      -5.016069      5.379797      7.596027
  H      -3.453637      5.372441      6.789392
  H      -4.740303      3.197223      8.533135
  H      -3.138926      3.958132      8.759042
  H      -4.342083     -0.505573      8.467747
  H      -5.231883      1.033548      8.647811
  H      -2.384502      0.607108      7.560473
  H      -2.781995      1.492984      9.058436
  C      -2.821359      0.672309      3.778180
  N      -3.815083      0.224131      3.056544
  C      -3.774761     -1.031652      2.477448
  O      -4.268129     -1.261750      1.373562
  C      -3.183650     -2.151394      3.302475
  C      -2.676279     -3.279858      2.643377
  C      -2.116873     -4.326423      3.373413
  C      -2.073096     -4.277562      4.770772
  C      -2.603779     -3.160312      5.412331
  Br     -2.571566     -3.075533      7.327104
  C      -3.157844     -2.097313      4.705900
  C      -5.687835      4.975951      5.158315
  N      -5.828846      6.252152      5.421319
  C      -6.512333      6.985683      4.457126
  O      -6.586536      6.683659      3.259238
  C      -7.167216      8.231765      4.975004
  C      -7.850317      9.068497      4.082243
  C      -8.517081     10.197797      4.551050
  C      -8.525698     10.502731      5.915728
  C      -7.839881      9.660759      6.790446
  Br     -7.864668     10.043122      8.668007
  C      -7.151953      8.539168      6.342895
  C      -6.172506      0.714875      6.202939
  N      -6.702209      1.873681      6.761400
  C      -7.846362      2.385615      6.188148
  O      -8.473327      1.851940      5.248364
  C      -8.291205      3.695523      6.758232
  C      -7.832670      4.160886      7.999112
  C      -8.256786      5.396816      8.483952
  C      -9.133797      6.188778      7.738819
  C      -9.584524      5.712823      6.506882
  Br    -10.772203      6.794725      5.475488
  C      -9.183758      4.477792      6.010309
  H      -1.823005      0.202260      3.713794
  H      -2.724809     -3.315189      1.554750
  H      -1.706650     -5.196103      2.857548
  H      -1.639804     -5.095233      5.346251
  H      -3.598378     -1.256240      5.245249
  H      -6.213791      4.532534      4.302713
  H      -7.854724      8.806847      3.024043
  H      -9.049354     10.849145      3.855981
  H      -9.058214     11.376942      6.289729
  H      -6.617855      7.886701      7.030320
  H      -6.724495      0.025897      5.558686
  H      -7.155487      3.534756      8.578667
  H      -7.905495      5.759022      9.451792
  H      -9.454286      7.162656      8.108104
  H      -9.539278      4.107337      5.049253
  N      -5.934570      2.038802      3.691100
  H      -5.514822      1.254965      3.158564
  H      -5.868438      2.871056      3.097737
  H      -6.932037      1.854823      3.882510
75
Coordinates from ORCA-job orca E -13784.906218552327
  N      -2.921521      1.707328      4.635643
  Mo     -4.746696      2.102878      5.574809
  N      -4.889613      0.424697      6.648977
  C      -4.469958      0.504602      8.047671
  C      -3.140054      1.236963      8.044539
  N      -3.287521      2.476551      7.220403
  C      -2.009675      2.886368      6.572456
  C      -1.687635      1.986151      5.392887
  C      -3.866546      3.597706      8.009493
  C      -4.297707      4.723314      7.083877
  N      -4.926560      4.146175      5.888274
  H      -0.938123      2.489746      4.760857
  H      -1.239511      1.036847      5.732827
  H      -2.140454      3.915227      6.216985
  H      -1.188674      2.884369      7.308726
  H      -5.018087      5.376938      7.598944
  H      -3.454561      5.371930      6.794350
  H      -4.741737      3.193338      8.533436
  H      -3.140238      3.953912      8.760578
  H      -4.343559     -0.508990      8.462915
  H      -5.233033      1.029861      8.646273
  H      -2.386195      0.604622      7.556758
  H      -2.782932      1.488174      9.056314
  C      -2.823414      0.672215      3.778899
  N      -3.818937      0.223395      3.059711
  C      -3.777382     -1.032430      2.480023
  O      -4.272468     -1.263019      1.377093
  C      -3.183364     -2.151199      3.304147
  C      -2.674351     -3.278531      2.644274
  C      -2.112424     -4.324242      3.373615
  C      -2.067845     -4.275698      4.770958
  C      -2.600193     -3.159670      5.413287
  Br     -2.566906     -3.075546      7.328084
  C      -3.156613     -2.097561      4.707463
  C      -5.685110      4.977131      5.158250
  N      -5.826389      6.253188      5.422200
  C      -6.507290      6.987577      4.456995
  O      -6.577829      6.686788      3.258562
  C      -7.164539      8.232758      4.974173
  C      -7.849683      9.067317      4.080893
  C      -8.518805     10.195471      4.549076
  C      -8.527198     10.501697      5.913506
  C      -7.839033      9.662120      6.788558
  Br     -7.862735     10.047004      8.665718
  C      -7.149240      8.541390      6.341690
  C      -6.174665      0.716046      6.200993
  N      -6.703307      1.874871      6.760000
  C      -7.848220      2.386881      6.188145
  O      -8.476672      1.853166      5.249591
  C      -8.291999      3.697081      6.758710
  C      -7.831515      4.162314      7.998934
  C      -8.254760      5.398146      8.484667
  C      -9.132997      6.190208      7.741052
  C      -9.585764      5.714374      6.509836
  Br    -10.775676      6.796082      5.480924
  C      -9.185825      4.479407      6.012478
  H      -1.825696      0.200945      3.713206
  H      -2.723560     -3.313730      1.555672
  H      -1.700928     -5.192979      2.857179
  H      -1.632522     -5.092663      5.345929
  H      -3.598380     -1.257270      5.247119
  H      -6.209363      4.534906      4.301000
  H      -7.853774      8.804810      3.022906
  H      -9.052777     10.845129      3.853725
  H      -9.061626     11.374967      6.287014
  H      -6.613424      7.890613      7.029417
  H      -6.726929      0.027891      5.556062
  H      -7.153482      3.535975      8.577301
  H      -7.901954      5.760258      9.451998
  H      -9.453051      7.163894      8.111189
  H      -9.543436      4.109080      5.052123
  N      -5.937512      2.038890      3.690347
  H      -5.517756      1.253526      3.159938
  H      -5.870707      2.869082      3.094121
  H      -6.934986      1.855842      3.881806
75
Coordinates from ORCA-job orca E -13784.906226065194
  N      -2.924528      1.707001      4.634085
  Mo     -4.749808      2.103067      5.572506
  N      -4.893346      0.424239      6.645499
  C      -4.471837      0.501672      8.043605
  C      -3.141875      1.233902      8.040186
  N      -3.289812      2.474428      7.217791
  C      -2.012512      2.886091      6.570115
  C      -1.689966      1.987302      5.389455
  C      -3.869593      3.594272      8.008317
  C      -4.300238      4.721613      7.084539
  N      -4.926470      4.146796      5.886808
  H      -0.942057      2.492326      4.756719
  H      -1.239985      1.038498      5.728339
  H      -2.144769      3.915044      6.215515
  H      -1.191247      2.884514      7.306091
  H      -5.022059      5.373213      7.600290
  H      -3.457349      5.372014      6.798208
  H      -4.744979      3.188809      8.531034
  H      -3.143587      3.949451      8.760220
  H      -4.344624     -0.512573      8.457067
  H      -5.234051      1.025550      8.644563
  H      -2.388509      0.602338      7.550597
  H      -2.783707      1.483754      9.051933
  C      -2.828195      0.670436      3.779187
  N      -3.825059      0.219753      3.062896
  C      -3.779995     -1.036411      2.483288
  O      -4.275432     -1.268555      1.380983
  C      -3.181547     -2.152888      3.307282
  C      -2.667902     -3.278072      2.647164
  C      -2.102190     -4.321813      3.376337
  C      -2.058507     -4.273577      4.773700
  C      -2.595443     -3.159921      5.416401
  Br     -2.563521     -3.076509      7.331095
  C      -3.155522     -2.099766      4.710451
  C      -5.682740      4.978613      5.155600
  N      -5.824002      6.254438      5.420745
  C      -6.500279      6.991646      4.454925
  O      -6.563978      6.695086      3.254939
  C      -7.160871      8.234763      4.972895
  C      -7.845614      9.069720      4.079661
  C      -8.517287     10.196079      4.548485
  C      -8.528220     10.500235      5.913359
  C      -7.840130      9.660435      6.788209
  Br     -7.867232     10.042928      8.665909
  C      -7.148248      8.541167      6.340840
  C      -6.178447      0.717033      6.199269
  N      -6.705454      1.876262      6.759045
  C      -7.850728      2.389340      6.188920
  O      -8.480984      1.856695      5.251128
  C      -8.292634      3.699887      6.760726
  C      -7.831084      4.163634      8.001072
  C      -8.252780      5.399397      8.488239
  C      -9.130736      6.192887      7.745807
  C      -9.584797      5.718452      6.514454
  Br    -10.774933      6.802084      5.487870
  C      -9.186222      4.483614      6.015807
  H      -1.830417      0.199471      3.711955
  H      -2.716562     -3.313091      1.558521
  H      -1.687110     -5.188714      2.859682
  H      -1.620255     -5.088981      5.348698
  H      -3.600571     -1.261238      5.250234
  H      -6.205229      4.537654      4.296604
  H      -7.847246      8.808970      3.021235
  H      -9.051255     10.845855      3.853237
  H      -9.064606     11.371802      6.288051
  H      -6.613090      7.889855      7.028594
  H      -6.731366      0.030068      5.553597
  H      -7.153463      3.535873      8.578396
  H      -7.899175      5.760323      9.455719
  H      -9.450219      7.166457      8.116761
  H      -9.545189      4.114415      5.055503
  N      -5.942872      2.037308      3.689183
  H      -5.524486      1.249103      3.161726
  H      -5.874330      2.864236      3.088574
  H      -6.940541      1.856847      3.882110
75
Coordinates from ORCA-job orca E -13784.906232821029
  N      -2.928529      1.706029      4.632950
  Mo     -4.752752      2.103071      5.571038
  N      -4.897500      0.424420      6.643837
  C      -4.473937      0.500041      8.041154
  C      -3.143521      1.231507      8.036814
  N      -3.291625      2.472766      7.215775
  C      -2.014832      2.885447      6.567855
  C      -1.692857      1.988249      5.385734
  C      -3.871782      3.591844      8.007342
  C      -4.302191      4.720297      7.084739
  N      -4.926814      4.147081      5.885608
  H      -0.947379      2.495140      4.751662
  H      -1.240438      1.040032      5.722934
  H      -2.147641      3.914819      6.214736
  H      -1.193059      2.883228      7.303257
  H      -5.024927      5.370526      7.601012
  H      -3.459354      5.371815      6.800774
  H      -4.747303      3.185643      8.529245
  H      -3.145945      3.946172      8.759823
  H      -4.346130     -0.514671      8.453395
  H      -5.234892      1.023140      8.644400
  H      -2.391135      0.600064      7.545518
  H      -2.783779      1.480175      9.048296
  C      -2.833391      0.667812      3.779896
  N      -3.831491      0.214586      3.066619
  C      -3.783052     -1.041617      2.486961
  O      -4.280290     -1.275698      1.385925
  C      -3.179400     -2.155793      3.310175
  C      -2.661855     -3.278952      2.649607
  C      -2.091830     -4.320613      3.378312
  C      -2.047675     -4.272370      4.775661
  C      -2.588342     -3.160849      5.418949
  Br     -2.555750     -3.077396      7.333437
  C      -3.152717     -2.102654      4.713235
  C      -5.681508      4.979831      5.153867
  N      -5.822552      6.255329      5.419997
  C      -6.495862      6.995005      4.454338
  O      -6.556525      6.700893      3.253479
  C      -7.157518      8.236865      4.973608
  C      -7.843787      9.071811      4.081574
  C      -8.516479     10.196984      4.551787
  C      -8.526548     10.500036      5.916878
  C      -7.836618      9.660406      6.790503
  Br     -7.862741     10.041573      8.668511
  C      -7.144008      8.542092      6.341833
  C      -6.182587      0.718188      6.198775
  N      -6.708710      1.877637      6.758887
  C      -7.853337      2.391602      6.188457
  O      -8.483899      1.859578      5.250520
  C      -8.294484      3.702521      6.760388
  C      -7.832245      4.166606      8.000284
  C      -8.253510      5.402565      8.487399
  C      -9.131747      6.195933      7.745158
  C      -9.586510      5.721081      6.514126
  Br    -10.776746      6.805167      5.487934
  C      -9.188325      4.486132      6.015627
  H      -1.835682      0.197032      3.710726
  H      -2.711057     -3.313932      1.560982
  H      -1.673757     -5.185830      2.861257
  H      -1.606155     -5.086175      5.350442
  H      -3.599910     -1.265573      5.253544
  H      -6.202652      4.539552      4.293626
  H      -7.845999      8.811905      3.022940
  H      -9.052098     10.846393      3.857469
  H      -9.063372     11.370424      6.293613
  H      -6.608035      7.890656      7.028793
  H      -6.735891      0.032233      5.552338
  H      -7.154225      3.538898      8.577224
  H      -7.899250      5.763817      9.454506
  H      -9.451219      7.169815      8.115369
  H      -9.547682      4.116718      5.055549
  N      -5.946713      2.035826      3.688643
  H      -5.529897      1.245801      3.162697
  H      -5.877211      2.860594      3.085137
  H      -6.944432      1.857329      3.883089
75
Coordinates from ORCA-job orca E -13784.906239879730
  N      -2.933169      1.704397      4.630487
  Mo     -4.756287      2.102868      5.568224
  N      -4.901567      0.424252      6.640975
  C      -4.476138      0.499083      8.037600
  C      -3.145441      1.230237      8.032206
  N      -3.294194      2.471898      7.212003
  C      -2.017956      2.885667      6.563892
  C      -1.696517      1.990018      5.380328
  C      -3.875158      3.590334      8.004136
  C      -4.305460      4.719507      7.082216
  N      -4.928103      4.147420      5.881588
  H      -0.954353      2.499589      4.744503
  H      -1.240388      1.042984      5.715767
  H      -2.150997      3.915592      6.212508
  H      -1.195757      2.882456      7.298813
  H      -5.029468      5.368118      7.598826
  H      -3.462962      5.372484      6.800617
  H      -4.750987      3.183311      8.524884
  H      -3.150042      3.944079      8.757566
  H      -4.347651     -0.515846      8.449228
  H      -5.236058      1.021692      8.642552
  H      -2.393710      0.598818      7.539826
  H      -2.784421      1.478382      9.043365
  C      -2.838635      0.663725      3.780262
  N      -3.837556      0.206790      3.070393
  C      -3.784134     -1.049316      2.490750
  O      -4.281247     -1.285640      1.390139
  C      -3.175718     -2.160921      3.313905
  C      -2.653260     -3.282093      2.653882
  C      -2.079363     -4.321208      3.383159
  C      -2.036279     -4.272458      4.780526
  C      -2.581740     -3.163001      5.423357
  Br     -2.550768     -3.078767      7.337635
  C      -3.149945     -2.107123      4.716981
  C      -5.681568      4.981092      5.149490
  N      -5.822890      6.256037      5.417028
  C      -6.494587      6.998456      4.452533
  O      -6.553479      6.707748      3.250680
  C      -7.156073      8.239076      4.974667
  C      -7.841548      9.076706      4.084625
  C      -8.513318     10.201423      4.557322
  C      -8.523320     10.501225      5.923046
  C      -7.834347      9.658731      6.794857
  Br     -7.861207     10.035014      8.673768
  C      -7.142640      8.540834      6.343787
  C      -6.186794      0.719382      6.197198
  N      -6.711606      1.879078      6.758323
  C      -7.854991      2.395105      6.187531
  O      -8.485471      1.864984      5.248247
  C      -8.295342      3.705713      6.760754
  C      -7.833501      4.168563      8.001194
  C      -8.254501      5.404342      8.489168
  C      -9.131895      6.198743      7.747101
  C      -9.586056      5.725154      6.515263
  Br    -10.774780      6.811288      5.489224
  C      -9.188264      4.490454      6.015931
  H      -1.840393      0.194445      3.709368
  H      -2.701824     -3.317419      1.565237
  H      -1.657420     -5.184796      2.866532
  H      -1.591968     -5.084370      5.355837
  H      -3.600195     -1.271472      5.256949
  H      -6.201176      4.541204      4.288016
  H      -7.843816      8.819400      3.025356
  H      -9.048505     10.852660      3.864389
  H      -9.058729     11.371236      6.302600
  H      -6.607791      7.887176      7.029459
  H      -6.740866      0.034548      5.550252
  H      -7.156066      3.540012      8.577889
  H      -7.900583      5.764600      9.456764
  H      -9.451476      7.172601      8.117320
  H      -9.546916      4.121918      5.055283
  N      -5.950331      2.033506      3.686515
  H      -5.536036      1.240912      3.162578
  H      -5.879659      2.856246      3.080388
  H      -6.948246      1.857720      3.882982
75
Coordinates from ORCA-job orca E -13784.906247465180
  N      -2.937767      1.702704      4.628114
  Mo     -4.759379      2.102612      5.566173
  N      -4.904741      0.424233      6.639348
  C      -4.477753      0.499171      8.035449
  C      -3.146683      1.229875      8.028520
  N      -3.296094      2.471724      7.208780
  C      -2.020333      2.885843      6.560037
  C      -1.700064      1.991526      5.375018
  C      -3.876974      3.589948      8.001322
  C      -4.307820      4.719170      7.079618
  N      -4.930073      4.147349      5.878511
  H      -0.961284      2.503745      4.737340
  H      -1.240276      1.045647      5.708568
  H      -2.152851      3.916476      6.210559
  H      -1.197600      2.880976      7.294349
  H      -5.032353      5.366947      7.596518
  H      -3.465691      5.372825      6.798543
  H      -4.752776      3.182639      8.521911
  H      -3.152002      3.943413      8.754985
  H      -4.349012     -0.515752      8.447056
  H      -5.236726      1.022066      8.641292
  H      -2.395785      0.598089      7.535315
  H      -2.784254      1.477743      9.039261
  C      -2.843361      0.659639      3.780668
  N      -3.843152      0.198723      3.074613
  C      -3.784726     -1.056902      2.494536
  O      -4.281192     -1.295025      1.393968
  C      -3.171858     -2.166408      3.317205
  C      -2.645497     -3.285802      2.657476
  C      -2.068156     -4.322806      3.387051
  C      -2.025453     -4.273669      4.784415
  C      -2.574740     -3.165938      5.426946
  Br     -2.544464     -3.081066      7.341159
  C      -3.146450     -2.111990      4.720407
  C      -5.683272      4.981954      5.146954
  N      -5.824259      6.256508      5.415615
  C      -6.496777      7.000439      4.452712
  O      -6.558640      6.710603      3.250838
  C      -7.155476      8.241344      4.977475
  C      -7.840643      9.081501      4.089681
  C      -8.509681     10.206887      4.564773
  C      -8.517443     10.504708      5.930865
  C      -7.828962      9.659536      6.800636
  Br     -7.853108     10.032771      8.680086
  C      -7.139772      8.541123      6.347154
  C      -6.190233      0.720330      6.196525
  N      -6.714536      1.879885      6.758590
  C      -7.856611      2.397165      6.186434
  O      -8.486023      1.868009      5.245585
  C      -8.297248      3.707545      6.759551
  C      -7.836403      4.170662      8.000223
  C      -8.257988      5.406588      8.487540
  C      -9.134746      6.200784      7.744587
  C      -9.587639      5.726955      6.512353
  Br    -10.774724      6.813378      5.484525
  C      -9.189457      4.492195      6.013568
  H      -1.844544      0.191994      3.707962
  H      -2.693867     -3.321410      1.568831
  H      -1.643132     -5.185045      2.870700
  H      -1.578609     -5.084042      5.359915
  H      -3.599206     -1.277556      5.260080
  H      -6.202279      4.542229      4.284935
  H      -7.844979      8.825687      3.030051
  H      -9.044622     10.859961      3.873385
  H      -9.050188     11.375340      6.312672
  H      -6.605198      7.885641      7.031245
  H      -6.744885      0.036023      5.549560
  H      -7.159330      3.542404      8.577659
  H      -7.904816      5.767044      9.455336
  H      -9.454665      7.174892      8.113895
  H      -9.546693      4.123311      5.052563
  N      -5.953068      2.031819      3.685028
  H      -5.541168      1.237737      3.161763
  H      -5.882281      2.854115      3.078354
  H      -6.951090      1.857865      3.883319
75
Coordinates from ORCA-job orca E -13784.906252689900
  N      -2.939852      1.701326      4.626112
  Mo     -4.760779      2.102641      5.563987
  N      -4.905857      0.424230      6.637474
  C      -4.478607      0.499996      8.033641
  C      -3.147480      1.230738      8.025904
  N      -3.297368      2.472498      7.206061
  C      -2.021666      2.886462      6.557107
  C      -1.701793      1.992445      5.371611
  C      -3.878044      3.590816      7.998503
  C      -4.309500      4.719639      7.076527
  N      -4.931936      4.147348      5.875391
  H      -0.964914      2.506183      4.732900
  H      -1.239718      1.047507      5.704541
  H      -2.153424      3.917496      6.208543
  H      -1.198878      2.880506      7.291357
  H      -5.034240      5.367214      7.593308
  H      -3.467745      5.373464      6.794804
  H      -4.753725      3.183616      8.519414
  H      -3.153079      3.944489      8.752055
  H      -4.349975     -0.514736      8.445695
  H      -5.237435      1.023520      8.639061
  H      -2.396770      0.598726      7.532706
  H      -2.784656      1.478735      9.036489
  C      -2.845241      0.656535      3.780722
  N      -3.845724      0.192443      3.077761
  C      -3.783090     -1.062525      2.496724
  O      -4.277289     -1.301247      1.395217
  C      -3.168766     -2.171045      3.319607
  C      -2.640752     -3.290050      2.660726
  C      -2.062359     -4.325912      3.391189
  C      -2.020226     -4.275907      4.788545
  C      -2.571163     -3.168444      5.430098
  Br     -2.541780     -3.082387      7.344407
  C      -3.143941     -2.115577      4.722957
  C      -5.685762      4.982349      5.144632
  N      -5.826886      6.256593      5.414381
  C      -6.501879      7.000799      4.453047
  O      -6.568006      6.711095      3.251504
  C      -7.157291      8.242574      4.980017
  C      -7.840834      9.085815      4.093937
  C      -8.506373     10.212495      4.571009
  C      -8.512600     10.508376      5.937514
  C      -7.826243      9.659836      6.805722
  Br     -7.848530     10.029992      8.685743
  C      -7.140240      8.540382      6.350190
  C      -6.191485      0.721049      6.194852
  N      -6.715611      1.880268      6.757867
  C      -7.856878      2.398537      6.184869
  O      -8.485230      1.870405      5.242531
  C      -8.298009      3.708352      6.758390
  C      -7.837845      4.171153      7.999460
  C      -8.260011      5.406929      8.486825
  C      -9.136380      6.201264      7.743616
  C      -9.588305      5.727855      6.510918
  Br    -10.774540      6.814410      5.482241
  C      -9.189823      4.493222      6.012015
  H      -1.845735      0.190599      3.707096
  H      -2.688656     -3.326360      1.572085
  H      -1.636011     -5.187968      2.875622
  H      -1.572579     -5.085440      5.364585
  H      -3.598020     -1.281248      5.261613
  H      -6.204734      4.542741      4.282487
  H      -7.846570      8.831573      3.033930
  H      -9.039589     10.868212      3.880795
  H      -9.042408     11.380278      6.320508
  H      -6.606744      7.882641      7.032954
  H      -6.746603      0.036694      5.548358
  H      -7.160994      3.543015      8.577275
  H      -7.907426      5.767071      9.454960
  H      -9.456558      7.175187      8.113188
  H      -9.546188      4.124272      5.050738
  N      -5.953327      2.031418      3.682443
  H      -5.543270      1.236334      3.159564
  H      -5.882092      2.854164      3.076505
  H      -6.951559      1.858929      3.881417
75
Coordinates from ORCA-job orca E -13784.906258111903
  N      -2.940633      1.700362      4.624876
  Mo     -4.761111      2.102927      5.563054
  N      -4.905790      0.424433      6.636851
  C      -4.478743      0.501168      8.033263
  C      -3.147617      1.231887      8.024900
  N      -3.297643      2.473438      7.204696
  C      -2.021892      2.886699      6.555299
  C      -1.702406      1.992233      5.369914
  C      -3.877379      3.592178      7.996929
  C      -4.309461      4.720412      7.074605
  N      -4.933294      4.147373      5.874253
  H      -0.965993      2.506092      4.730742
  H      -1.239771      1.047674      5.703076
  H      -2.152978      3.917842      6.206814
  H      -1.199020      2.880210      7.289459
  H      -5.033616      5.368593      7.591346
  H      -3.467918      5.373688      6.791033
  H      -4.752683      3.185602      8.518962
  H      -3.151758      3.946274      8.749651
  H      -4.350546     -0.513325      8.445920
  H      -5.237684      1.025539      8.637782
  H      -2.397052      0.599662      7.531777
  H      -2.784618      1.480091      9.035387
  C      -2.845984      0.654676      3.780574
  N      -3.847058      0.188662      3.079827
  C      -3.781120     -1.065659      2.497549
  O      -4.272210     -1.304057      1.394598
  C      -3.166828     -2.173887      3.320854
  C      -2.638204     -3.292833      2.662464
  C      -2.059903     -4.328425      3.393457
  C      -2.018355     -4.278095      4.790815
  C      -2.569923     -3.170585      5.431737
  Br     -2.541376     -3.084261      7.346261
  C      -3.142697     -2.118104      4.724313
  C      -5.688214      4.982354      5.144524
  N      -5.828830      6.256689      5.414637
  C      -6.506845      7.000119      4.454488
  O      -6.578265      6.708979      3.253743
  C      -7.159037      8.243331      4.982454
  C      -7.842201      9.088047      4.097468
  C      -8.504961     10.215871      4.575751
  C      -8.509004     10.511366      5.942398
  C      -7.823214      9.661323      6.809470
  Br     -7.842211     10.030868      8.689657
  C      -7.139714      8.540950      6.352599
  C      -6.191435      0.721441      6.194024
  N      -6.715874      1.880401      6.757286
  C      -7.857027      2.398490      6.183634
  O      -8.484592      1.870220      5.240823
  C      -8.298926      3.708142      6.756663
  C      -7.839417      4.171352      7.997872
  C      -8.262224      5.407144      8.484668
  C      -9.138527      6.201048      7.740904
  C      -9.589703      5.727286      6.508159
  Br    -10.775692      6.812915      5.478372
  C      -9.190634      4.492626      6.009764
  H      -1.846173      0.189477      3.706633
  H      -2.685509     -3.329463      1.573811
  H      -1.633130     -5.190560      2.878372
  H      -1.570657     -5.087409      5.367104
  H      -3.597622     -1.283740      5.262159
  H      -6.208416      4.542876      4.283071
  H      -7.849922      8.834051      3.037411
  H      -9.037512     10.873025      3.886391
  H      -9.037008     11.384274      6.325598
  H      -6.606074      7.882225      7.034316
  H      -6.746828      0.036545      5.548341
  H      -7.162674      3.543711      8.576350
  H      -7.910167      5.767564      9.452900
  H      -9.458921      7.174863      8.110556
  H      -9.546384      4.123101      5.048480
  N      -5.952804      2.032415      3.680849
  H      -5.543943      1.237048      3.157702
  H      -5.880761      2.856156      3.076410
  H      -6.951286      1.861004      3.879702
75
Coordinates from ORCA-job orca E -13784.906261440481
  N      -2.939998      1.699612      4.624618
  Mo     -4.760442      2.103437      5.562644
  N      -4.905167      0.424850      6.636621
  C      -4.478913      0.502381      8.033444
  C      -3.147864      1.233094      8.025174
  N      -3.297551      2.474394      7.204416
  C      -2.021550      2.886699      6.554767
  C      -1.701954      1.991049      5.370239
  C      -3.876410      3.593715      7.996224
  C      -4.308738      4.721410      7.073457
  N      -4.934061      4.147582      5.874046
  H      -0.964562      2.503718      4.731248
  H      -1.240364      1.046411      5.704639
  H      -2.152316      3.917562      6.205326
  H      -1.198775      2.880619      7.289051
  H      -5.032058      5.370611      7.590006
  H      -3.467142      5.373814      6.788071
  H      -4.751375      3.187921      8.519434
  H      -3.150052      3.948361      8.748001
  H      -4.351237     -0.511910      8.446656
  H      -5.238266      1.027404      8.636891
  H      -2.397163      0.600780      7.532400
  H      -2.785249      1.481543      9.035742
  C      -2.845471      0.653758      3.780469
  N      -3.846917      0.186948      3.080809
  C      -3.778311     -1.066669      2.496816
  O      -4.265945     -1.303943      1.392164
  C      -3.165776     -2.175273      3.320874
  C      -2.637606     -3.294765      2.663004
  C      -2.060608     -4.330720      3.394557
  C      -2.019784     -4.280124      4.791933
  C      -2.570858     -3.172000      5.432235
  Br     -2.543125     -3.085441      7.346932
  C      -3.142417     -2.119343      4.724362
  C      -5.690253      4.982038      5.145097
  N      -5.830694      6.256568      5.415163
  C      -6.510961      6.998914      4.455611
  O      -6.585594      6.706555      3.255432
  C      -7.161309      8.243197      4.983677
  C      -7.844088      9.088625      4.099001
  C      -8.505084     10.217275      4.577747
  C      -8.507876     10.512869      5.944472
  C      -7.822700      9.662081      6.811111
  Br     -7.839791     10.031700      8.691365
  C      -7.140815      8.540966      6.353676
  C      -6.190579      0.721705      6.193015
  N      -6.715442      1.880540      6.756086
  C      -7.856823      2.398326      6.182405
  O      -8.484083      1.870053      5.239521
  C      -8.299067      3.707861      6.755530
  C      -7.839048      4.171208      7.996560
  C      -8.261924      5.406891      8.483514
  C      -9.138829      6.200598      7.740161
  C      -9.590564      5.726742      6.507728
  Br    -10.777665      6.811563      5.478549
  C      -9.191396      4.492114      6.009248
  H      -1.845512      0.188830      3.706776
  H      -2.684139     -3.331638      1.574325
  H      -1.634286     -5.193361      2.879941
  H      -1.572914     -5.089657      5.368553
  H      -3.597279     -1.284428      5.261414
  H      -6.211907      4.542670      4.284511
  H      -7.852817      8.834591      3.038960
  H      -9.036980     10.875340      3.888750
  H      -9.034949     11.386541      6.327246
  H      -6.607229      7.881641      7.034891
  H      -6.746111      0.036223      5.548036
  H      -7.161813      3.543877      8.574804
  H      -7.909463      5.767416      9.451561
  H      -9.459164      7.174156      8.110539
  H      -9.547732      4.122294      5.048273
  N      -5.951000      2.034413      3.679194
  H      -5.542746      1.238848      3.155969
  H      -5.877111      2.858846      3.075955
  H      -6.949839      1.864133      3.876915
75
Coordinates from ORCA-job orca E -13784.906264284586
  N      -2.939245      1.698946      4.624948
  Mo     -4.759485      2.104052      5.563290
  N      -4.904515      0.425511      6.637498
  C      -4.478927      0.503701      8.034545
  C      -3.147801      1.234095      8.026474
  N      -3.296810      2.475085      7.205005
  C      -2.020659      2.886172      6.554778
  C      -1.701317      1.988974      5.371375
  C      -3.874558      3.595200      7.996347
  C      -4.306770      4.722468      7.073146
  N      -4.933913      4.148028      5.875001
  H      -0.962265      2.499619      4.732708
  H      -1.241761      1.043853      5.707286
  H      -2.151385      3.916546      6.203851
  H      -1.197783      2.880974      7.288956
  H      -5.028885      5.372989      7.589696
  H      -3.464866      5.373753      6.786104
  H      -4.749253      3.190325      8.520697
  H      -3.147328      3.950226      8.747129
  H      -4.351797     -0.510405      8.448359
  H      -5.238523      1.029296      8.637229
  H      -2.397091      0.601524      7.534062
  H      -2.785509      1.482909      9.037056
  C      -2.845204      0.653255      3.780457
  N      -3.846725      0.186712      3.080776
  C      -3.775859     -1.066296      2.495055
  O      -4.259833     -1.302112      1.388610
  C      -3.165420     -2.175486      3.319864
  C      -2.637124     -3.295098      2.662175
  C      -2.061720     -4.331745      3.393971
  C      -2.022469     -4.281703      4.791413
  C      -2.573586     -3.173468      5.431528
  Br     -2.547809     -3.087748      7.346311
  C      -3.143697     -2.120312      4.723343
  C      -5.691200      4.981774      5.146610
  N      -5.831115      6.256685      5.415928
  C      -6.512674      6.998012      4.456601
  O      -6.588964      6.704404      3.256804
  C      -7.162589      8.242828      4.984122
  C      -7.846374      9.087449      4.099384
  C      -8.507287     10.216125      4.578082
  C      -8.508984     10.512584      5.944700
  C      -7.822687      9.662749      6.811231
  Br     -7.838098     10.033593      8.691317
  C      -7.140819      8.541587      6.353784
  C      -6.189614      0.721983      6.193114
  N      -6.714818      1.881072      6.755411
  C      -7.856550      2.398198      6.181805
  O      -8.483852      1.869499      5.239360
  C      -8.299046      3.707855      6.754802
  C      -7.838812      4.171436      7.995689
  C      -8.261759      5.407044      8.482642
  C      -9.139170      6.200458      7.739470
  C      -9.591285      5.726354      6.507298
  Br    -10.779331      6.810491      5.478605
  C      -9.191812      4.491790      6.008875
  H      -1.845514      0.187651      3.707313
  H      -2.682259     -3.331534      1.573423
  H      -1.635432     -5.194480      2.879487
  H      -1.576706     -5.091715      5.368221
  H      -3.598773     -1.285296      5.260086
  H      -6.214764      4.542281      4.287304
  H      -7.856039      8.832669      3.039534
  H      -9.040029     10.873670      3.889241
  H      -9.036465     11.386218      6.327006
  H      -6.606360      7.882779      7.034826
  H      -6.745298      0.036092      5.548672
  H      -7.161280      3.544297      8.573794
  H      -7.909104      5.767802      9.450528
  H      -9.459525      7.173889      8.110153
  H      -9.548513      4.121842      5.048058
  N      -5.949406      2.036742      3.678913
  H      -5.541553      1.240932      3.155712
  H      -5.873229      2.861355      3.076204
  H      -6.948619      1.867605      3.875397
75
Coordinates from ORCA-job orca E -13784.906266394128
  N      -2.938551      1.698376      4.625925
  Mo     -4.758543      2.104496      5.564333
  N      -4.904220      0.426140      6.638757
  C      -4.479337      0.504785      8.035931
  C      -3.148044      1.234773      8.028412
  N      -3.296148      2.475475      7.206215
  C      -2.019815      2.885371      6.555548
  C      -1.700772      1.986679      5.373290
  C      -3.873170      3.596366      7.997039
  C      -4.304902      4.723348      7.073315
  N      -4.933385      4.148462      5.876224
  H      -0.959916      2.495231      4.735057
  H      -1.243469      1.040918      5.710572
  H      -2.150568      3.915215      6.203030
  H      -1.196870      2.881185      7.289655
  H      -5.025945      5.375119      7.589809
  H      -3.462459      5.373567      6.785403
  H      -4.747869      3.192218      8.521942
  H      -3.145459      3.951539      8.747297
  H      -4.352626     -0.509177      8.450285
  H      -5.239105      1.030707      8.638155
  H      -2.397237      0.601836      7.536631
  H      -2.786275      1.483997      9.039061
  C      -2.844988      0.653034      3.780804
  N      -3.846268      0.187325      3.080240
  C      -3.773711     -1.065044      2.492799
  O      -4.255067     -1.299402      1.385004
  C      -3.165293     -2.175040      3.317972
  C      -2.636969     -3.294714      2.660284
  C      -2.063116     -4.332135      3.392147
  C      -2.025328     -4.282799      4.789664
  C      -2.576340     -3.174527      5.429839
  Br     -2.552284     -3.089595      7.344563
  C      -3.145049     -2.120700      4.721435
  C      -5.691472      4.981522      5.148034
  N      -5.831206      6.256684      5.416396
  C      -6.512768      6.997408      4.456840
  O      -6.588219      6.703354      3.256997
  C      -7.163561      8.242058      4.983522
  C      -7.848120      9.085541      4.098269
  C      -8.509809     10.213990      4.576348
  C      -8.511468     10.511368      5.942794
  C      -7.824371      9.662688      6.809787
  Br     -7.839846     10.034748      8.689647
  C      -7.141761      8.541658      6.352974
  C      -6.188991      0.722193      6.193553
  N      -6.714393      1.881600      6.755134
  C      -7.856240      2.398510      6.181762
  O      -8.483724      1.869831      5.239520
  C      -8.298601      3.708224      6.755090
  C      -7.837485      4.171908      7.995610
  C      -8.260133      5.407450      8.482902
  C      -9.138281      6.200734      7.740401
  C      -9.591438      5.726492      6.508638
  Br    -10.780782      6.810407      5.481198
  C      -9.192097      4.491984      6.009936
  H      -1.845582      0.186730      3.708191
  H      -2.680863     -3.330508      1.571457
  H      -1.636890     -5.194876      2.877621
  H      -1.580711     -5.093363      5.366596
  H      -3.599891     -1.285598      5.258250
  H      -6.216284      4.541647      4.289711
  H      -7.857714      8.830055      3.038592
  H      -9.043302     10.870651      3.887241
  H      -9.039594     11.384815      6.324642
  H      -6.606875      7.883562      7.034371
  H      -6.744774      0.036276      5.549201
  H      -7.159328      3.544814      8.573041
  H      -7.906735      5.768379      9.450449
  H      -9.458498      7.174130      8.111306
  H      -9.549635      4.122161      5.049367
  N      -5.947861      2.038624      3.679272
  H      -5.540097      1.242542      3.156296
  H      -5.869742      2.862952      3.076417
  H      -6.947363      1.870236      3.874541
