73
Coordinates from ORCA-job orca E -13837.703384693297
  N      -2.147667      1.056993      5.586687
  Mo     -3.711266      2.326173      5.095560
  N      -4.639283      1.478547      6.841454
  C      -4.401971      2.299328      8.013617
  C      -2.899719      2.515478      8.116270
  N      -2.432424      3.169508      6.873879
  C      -1.011307      2.837628      6.642438
  C      -0.897486      1.358224      6.227201
  C      -2.614021      4.630836      6.993600
  C      -3.182745      5.177654      5.687494
  N      -4.238395      4.279281      5.253031
  H      -0.054487      1.218223      5.538888
  H      -0.737005      0.701282      7.091623
  H      -0.641475      3.472936      5.832610
  H      -0.421272      3.034660      7.544967
  H      -3.586177      6.186787      5.826357
  H      -2.409397      5.209037      4.907806
  H      -3.339046      4.840072      7.784399
  H      -1.672486      5.127090      7.246233
  H      -4.769238      1.766982      8.898472
  H      -4.950882      3.248650      7.927527
  H      -2.429618      1.534715      8.217642
  H      -2.640494      3.118968      8.991829
  C      -2.478362     -0.004552      4.932698
  N      -3.661200      0.189142      4.344470
  C      -4.352146     -0.703785      3.606034
  O      -5.194050     -0.301119      2.790686
  C      -4.099526     -2.154621      3.806070
  C      -4.155427     -3.020643      2.715782
  C      -3.935312     -4.375083      2.894639
  C      -3.673913     -4.883141      4.157038
  C      -3.646652     -4.016497      5.238101
  Br     -3.304822     -4.693255      6.985180
  C      -3.855896     -2.658242      5.082155
  C      -5.420889      4.801852      5.036623
  N      -5.796108      6.022470      5.334913
  C      -7.014306      6.378216      4.834595
  O      -7.505363      5.857684      3.827587
  C      -7.703709      7.459260      5.574614
  C      -8.816875      8.082629      5.015896
  C      -9.506879      9.048195      5.726612
  C      -9.098761      9.398542      7.003467
  C      -7.987771      8.773410      7.546309
  Br     -7.420764      9.235123      9.300542
  C      -7.282084      7.811507      6.852703
  C      -5.746528      1.660138      6.170653
  N      -6.651644      2.593686      6.492465
  C      -7.706305      2.788798      5.701190
  O      -7.856469      2.284536      4.559325
  C      -8.691025      3.765180      6.234097
  C      -8.624999      4.220727      7.547915
  C      -9.517612      5.175875      7.998544
  C     -10.474419      5.698207      7.143841
  C     -10.528464      5.238684      5.838127
  Br    -11.826636      5.958232      4.658989
  C      -9.658327      4.274202      5.373650
  H      -1.847598     -0.888005      4.791024
  H      -4.365801     -2.612701      1.739083
  H      -3.969846     -5.041610      2.047650
  H      -3.501919     -5.938036      4.302290
  H      -3.861220     -2.002168      5.941004
  H      -6.179066      4.164456      4.601155
  H      -9.124485      7.793784      4.021699
  H     -10.370615      9.523970      5.289409
  H      -9.634904     10.144915      7.568873
  H      -6.419128      7.324589      7.278521
  H      -6.051835      0.826522      5.520946
  H      -7.867635      3.810737      8.196962
  H      -9.470918      5.520774      9.019759
  H     -11.170960      6.449547      7.480961
  H      -9.692524      3.919589      4.352917
  N      -2.743337      2.743538      3.244663
  N      -2.098051      3.021782      2.010732
73
Coordinates from ORCA-job orca E -13837.776022703260
  N      -2.120363      1.057002      5.591768
  Mo     -3.685441      2.327164      5.096645
  N      -4.612609      1.485096      6.844063
  C      -4.373468      2.307198      8.021995
  C      -2.874283      2.520067      8.119247
  N      -2.403766      3.174825      6.870490
  C      -0.979554      2.840070      6.638270
  C      -0.868393      1.361728      6.230980
  C      -2.582986      4.644009      6.985357
  C      -3.145984      5.188347      5.680821
  N      -4.207253      4.287182      5.248943
  H      -0.023902      1.219337      5.542487
  H      -0.708229      0.707531      7.099834
  H      -0.610071      3.474219      5.825045
  H      -0.388370      3.041580      7.541917
  H      -3.546981      6.200317      5.815868
  H      -2.370299      5.215175      4.901101
  H      -3.308268      4.855349      7.777852
  H      -1.637348      5.137472      7.238926
  H      -4.738948      1.775141      8.911444
  H      -4.921649      3.258429      7.939794
  H      -2.401752      1.537970      8.218589
  H      -2.609982      3.125862      8.994972
  C      -2.460639     -0.010091      4.937450
  N      -3.647671      0.190546      4.348966
  C      -4.355704     -0.702956      3.604596
  O      -5.198321     -0.302179      2.792377
  C      -4.109555     -2.160031      3.805813
  C      -4.175835     -3.024240      2.709961
  C      -3.964012     -4.385255      2.884511
  C      -3.700686     -4.902594      4.149212
  C      -3.663040     -4.036982      5.235812
  Br     -3.320072     -4.724746      6.980552
  C      -3.863568     -2.672046      5.083981
  C      -5.406694      4.802782      5.022034
  N      -5.788158      6.024667      5.316866
  C      -7.017205      6.388896      4.812035
  O      -7.517728      5.882211      3.799448
  C      -7.711606      7.466026      5.564870
  C      -8.828091      8.091511      5.005990
  C      -9.526470      9.051019      5.725721
  C      -9.123936      9.393247      7.012853
  C      -8.008708      8.765844      7.556122
  Br     -7.451016      9.215153      9.321296
  C      -7.294262      7.810237      6.852791
  C      -5.737435      1.666633      6.167469
  N      -6.645975      2.594929      6.491512
  C      -7.715234      2.794646      5.689956
  O      -7.864397      2.301977      4.547862
  C      -8.709228      3.768845      6.229071
  C      -8.652907      4.217818      7.551607
  C      -9.556129      5.169504      8.005704
  C     -10.514485      5.695550      7.146300
  C     -10.558368      5.243217      5.831904
  Br    -11.855870      5.968076      4.647644
  C      -9.677137      4.283123      5.363852
  H      -1.833229     -0.898445      4.797456
  H      -4.388354     -2.609914      1.730811
  H      -4.006602     -5.052453      2.031163
  H      -3.535276     -5.964291      4.290794
  H      -3.861098     -2.016801      5.948770
  H      -6.157519      4.149491      4.579662
  H      -9.133237      7.808396      4.004519
  H     -10.395304      9.529724      5.288085
  H      -9.668416     10.135179      7.585570
  H      -6.427595      7.320745      7.279731
  H      -6.038395      0.834866      5.509350
  H      -7.894127      3.805767      8.205960
  H      -9.516546      5.510052      9.034666
  H     -11.218899      6.445529      7.486949
  H      -9.701046      3.936633      4.336441
  N      -2.728951      2.738766      3.270512
  N      -2.146308      2.976437      2.159756
73
Coordinates from ORCA-job orca E -13837.815489653140
  N      -2.102854      1.056471      5.593017
  Mo     -3.669121      2.329246      5.096709
  N      -4.595704      1.491214      6.844923
  C      -4.355412      2.313627      8.026633
  C      -2.858384      2.524053      8.119307
  N      -2.385097      3.179404      6.866317
  C      -0.958966      2.842023      6.633198
  C      -0.849650      1.364052      6.230907
  C      -2.562076      4.654349      6.979074
  C      -3.121020      5.199009      5.676565
  N      -4.185163      4.296755      5.246697
  H      -0.004179      1.220273      5.542357
  H      -0.689467      0.711746      7.102432
  H      -0.590336      3.476010      5.818176
  H      -0.366893      3.046382      7.537336
  H      -3.520236      6.212934      5.809640
  H      -2.344040      5.223540      4.896943
  H      -3.286882      4.865317      7.773472
  H      -1.613377      5.144489      7.234114
  H      -4.718762      1.782115      8.919401
  H      -4.903468      3.266103      7.947733
  H      -2.383774      1.541522      8.216245
  H      -2.589493      3.131408      8.994541
  C      -2.451829     -0.013586      4.938334
  N      -3.641968      0.194641      4.350777
  C      -4.362708     -0.697821      3.602447
  O      -5.204755     -0.298306      2.793620
  C      -4.119881     -2.158710      3.806023
  C      -4.193516     -3.022073      2.707174
  C      -3.986528     -4.386804      2.879292
  C      -3.720780     -4.909510      4.145176
  C      -3.675768     -4.043995      5.234567
  Br     -3.330391     -4.738394      6.977493
  C      -3.871134     -2.675163      5.085001
  C      -5.395840      4.806111      5.013047
  N      -5.777933      6.026945      5.307233
  C      -7.014064      6.392244      4.799643
  O      -7.519233      5.892613      3.785815
  C      -7.712768      7.466254      5.560191
  C      -8.832842      8.090023      5.001423
  C      -9.537348      9.045119      5.726215
  C      -9.137992      9.384711      7.018799
  C      -8.018632      8.758514      7.561813
  Br     -7.466286      9.203489      9.333018
  C      -7.297694      7.807590      6.853093
  C      -5.733723      1.673705      6.166838
  N      -6.641943      2.596625      6.493964
  C      -7.719224      2.795641      5.682008
  O      -7.864115      2.309668      4.542320
  C      -8.719274      3.767907      6.224076
  C      -8.670495      4.213214      7.551339
  C      -9.581077      5.162349      8.005984
  C     -10.539674      5.689739      7.142531
  C     -10.575252      5.241138      5.823344
  Br    -11.871703      5.968402      4.633948
  C      -9.686446      4.284359      5.354567
  H      -1.828219     -0.905897      4.799115
  H      -4.408322     -2.604544      1.727081
  H      -4.034790     -5.054519      2.022970
  H      -3.559349     -5.974704      4.284595
  H      -3.863002     -2.020415      5.952850
  H      -6.138941      4.140811      4.566423
  H      -9.136782      7.808836      3.996656
  H     -10.410184      9.523396      5.289101
  H      -9.688177     10.123178      7.595311
  H      -6.427836      7.318926      7.280431
  H      -6.030752      0.844371      5.502092
  H      -7.911718      3.800964      8.209770
  H      -9.547308      5.500701      9.038882
  H     -11.249236      6.438153      7.484080
  H      -9.702265      3.942608      4.323541
  N      -2.720501      2.738748      3.286948
  N      -2.206394      2.936797      2.306045
73
Coordinates from ORCA-job orca E -13837.821408730033
  N      -2.079030      1.056606      5.595258
  Mo     -3.644698      2.337023      5.105803
  N      -4.582089      1.512699      6.849276
  C      -4.333975      2.325469      8.040162
  C      -2.837418      2.527003      8.122339
  N      -2.361655      3.189140      6.866169
  C      -0.933366      2.849752      6.621189
  C      -0.822859      1.370213      6.226624
  C      -2.536286      4.670478      6.976746
  C      -3.071741      5.215748      5.668471
  N      -4.140789      4.318345      5.234993
  H       0.023923      1.223594      5.538231
  H      -0.660645      0.724018      7.103836
  H      -0.574970      3.485235      5.801159
  H      -0.335424      3.063630      7.521492
  H      -3.463041      6.235490      5.789902
  H      -2.283138      5.228439      4.898660
  H      -3.266709      4.878489      7.768372
  H      -1.584215      5.150301      7.246703
  H      -4.692555      1.791857      8.936353
  H      -4.876893      3.283340      7.978505
  H      -2.359303      1.543685      8.208182
  H      -2.552010      3.132366      8.996302
  C      -2.450471     -0.018331      4.952843
  N      -3.641257      0.206683      4.365905
  C      -4.378292     -0.677789      3.614283
  O      -5.220060     -0.273439      2.809937
  C      -4.142412     -2.143978      3.816485
  C      -4.228346     -3.002308      2.712826
  C      -4.038837     -4.371801      2.879087
  C      -3.780519     -4.905492      4.144269
  C      -3.721766     -4.043865      5.237859
  Br     -3.390556     -4.754194      6.978932
  C      -3.896754     -2.670000      5.093846
  C      -5.345496      4.832401      4.956336
  N      -5.719790      6.057888      5.237679
  C      -6.940308      6.442680      4.693497
  O      -7.416453      5.979768      3.649341
  C      -7.673794      7.482575      5.476363
  C      -8.784102      8.115818      4.905755
  C      -9.527139      9.030073      5.647606
  C      -9.179977      9.316302      6.970113
  C      -8.070671      8.679304      7.525032
  Br     -7.593263      9.046861      9.339982
  C      -7.308309      7.772899      6.798383
  C      -5.736545      1.696307      6.177306
  N      -6.641523      2.610986      6.526175
  C      -7.721549      2.822553      5.707347
  O      -7.852259      2.376027      4.553084
  C      -8.737210      3.769560      6.275782
  C      -8.725327      4.148288      7.626061
  C      -9.662505      5.060383      8.107456
  C     -10.612238      5.616611      7.249204
  C     -10.606185      5.239001      5.905821
  Br    -11.885050      6.015816      4.720606
  C      -9.686231      4.325402      5.407784
  H      -1.841137     -0.922653      4.818983
  H      -4.443435     -2.577571      1.732716
  H      -4.096814     -5.037739      2.017810
  H      -3.635228     -5.976476      4.279285
  H      -3.879674     -2.018397      5.967020
  H      -6.065986      4.164911      4.467526
  H      -9.055488      7.868068      3.880389
  H     -10.395190      9.516289      5.201825
  H      -9.763896     10.021043      7.561051
  H      -6.446442      7.274287      7.236951
  H      -6.024761      0.888198      5.481212
  H      -7.973179      3.714373      8.282843
  H      -9.655617      5.350440      9.158828
  H     -11.340729      6.340118      7.612661
  H      -9.655711      4.055179      4.353979
  N      -2.678485      2.756297      3.318102
  N      -2.155096      2.943814      2.343847
73
Coordinates from ORCA-job orca E -13837.826168120024
  N      -2.048094      1.058453      5.591265
  Mo     -3.621137      2.337903      5.108631
  N      -4.569340      1.549028      6.848852
  C      -4.312887      2.364143      8.039562
  C      -2.816572      2.559534      8.106400
  N      -2.340206      3.216092      6.838606
  C      -0.909298      2.876829      6.580243
  C      -0.790217      1.393785      6.208575
  C      -2.515705      4.705113      6.935353
  C      -3.040354      5.239323      5.623392
  N      -4.108771      4.333733      5.205458
  H       0.056939      1.243612      5.519825
  H      -0.618448      0.764409      7.097567
  H      -0.568756      3.508793      5.748764
  H      -0.304608      3.113575      7.472309
  H      -3.431483      6.261642      5.731240
  H      -2.248728      5.242985      4.855195
  H      -3.246217      4.908137      7.729478
  H      -1.559730      5.176357      7.214243
  H      -4.663270      1.839809      8.946723
  H      -4.852104      3.325734      7.987305
  H      -2.329466      1.579356      8.188463
  H      -2.510412      3.174064      8.969317
  C      -2.445907     -0.026626      4.972232
  N      -3.642539      0.211342      4.394876
  C      -4.402196     -0.671146      3.651196
  O      -5.251614     -0.269310      2.858133
  C      -4.166908     -2.141650      3.860065
  C      -4.271566     -3.000194      2.756193
  C      -4.092855     -4.372758      2.921118
  C      -3.828914     -4.911033      4.185786
  C      -3.750831     -4.047979      5.278871
  Br     -3.415468     -4.765883      7.018189
  C      -3.912116     -2.670637      5.135822
  C      -5.325811      4.827323      4.911223
  N      -5.704504      6.046258      5.207102
  C      -6.949286      6.432532      4.705634
  O      -7.444228      6.020235      3.651893
  C      -7.667651      7.446916      5.545594
  C      -8.792707      8.098037      5.021886
  C      -9.515022      8.991558      5.811182
  C      -9.136895      9.236793      7.135983
  C      -8.018106      8.575505      7.645057
  Br     -7.503731      8.878979      9.467306
  C      -7.272340      7.693353      6.870070
  C      -5.748751      1.719801      6.189383
  N      -6.651903      2.629851      6.536733
  C      -7.725271      2.817833      5.683324
  O      -7.831542      2.344118      4.542535
  C      -8.758115      3.777963      6.207550
  C      -8.779190      4.199452      7.546331
  C      -9.741663      5.112194      7.979535
  C     -10.686588      5.624028      7.084887
  C     -10.645747      5.203869      5.753376
  Br    -11.924706      5.915557      4.518334
  C      -9.697379      4.293610      5.301078
  H      -1.854313     -0.945231      4.850514
  H      -4.496091     -2.573811      1.776244
  H      -4.164636     -5.041040      2.059089
  H      -3.694331     -5.985924      4.319824
  H      -3.880420     -2.018900      6.011117
  H      -6.027541      4.131185      4.419432
  H      -9.092973      7.879600      3.995626
  H     -10.394146      9.496083      5.402429
  H      -9.704357      9.927681      7.763133
  H      -6.400098      7.179273      7.274537
  H      -6.011429      0.931960      5.460332
  H      -8.030514      3.802151      8.233697
  H      -9.759488      5.440183      9.022466
  H     -11.437248      6.344832      7.413233
  H      -9.637240      3.993787      4.254020
  N      -2.644796      2.767861      3.350287
  N      -2.110412      2.934100      2.371518
73
Coordinates from ORCA-job orca E -13837.829390104052
  N      -2.023415      1.053378      5.593491
  Mo     -3.593774      2.341409      5.122020
  N      -4.569727      1.573641      6.842291
  C      -4.305099      2.372738      8.040401
  C      -2.807221      2.556599      8.106647
  N      -2.325250      3.218564      6.840632
  C      -0.893972      2.879455      6.578011
  C      -0.769355      1.396625      6.211350
  C      -2.499391      4.709822      6.944493
  C      -3.005467      5.250795      5.629316
  N      -4.068215      4.348186      5.200637
  H       0.081075      1.247683      5.526846
  H      -0.597095      0.772317      7.103797
  H      -0.562068      3.513359      5.745063
  H      -0.288089      3.123840      7.466898
  H      -3.394607      6.273863      5.734113
  H      -2.206053      5.253844      4.869709
  H      -3.237964      4.901116      7.733577
  H      -1.544592      5.169462      7.245334
  H      -4.656482      1.847589      8.946201
  H      -4.836785      3.339280      8.001324
  H      -2.319664      1.576376      8.178608
  H      -2.488956      3.166298      8.968242
  C      -2.442041     -0.031176      4.985123
  N      -3.637605      0.225432      4.413728
  C      -4.411290     -0.646196      3.667670
  O      -5.261159     -0.232892      2.884140
  C      -4.183206     -2.120925      3.866272
  C      -4.295768     -2.967457      2.753724
  C      -4.129405     -4.342933      2.904653
  C      -3.871868     -4.896847      4.164035
  C      -3.786231     -4.044918      5.265106
  Br     -3.461824     -4.785183      6.997544
  C      -3.933444     -2.664776      5.136001
  C      -5.284257      4.831194      4.872500
  N      -5.671468      6.048009      5.157367
  C      -6.911868      6.430015      4.638754
  O      -7.389854      6.020154      3.578783
  C      -7.656350      7.420411      5.488747
  C      -8.788231      8.059161      4.964191
  C      -9.524381      8.939423      5.755491
  C      -9.156072      9.182060      7.083778
  C      -8.035019      8.526617      7.594413
  Br     -7.538259      8.819305      9.424742
  C      -7.273821      7.659780      6.817788
  C      -5.763429      1.747881      6.202831
  N      -6.659701      2.650594      6.571216
  C      -7.733576      2.849113      5.707610
  O      -7.834625      2.387454      4.564341
  C      -8.772154      3.793908      6.246619
  C      -8.801869      4.185773      7.593470
  C      -9.776432      5.077182      8.042616
  C     -10.724268      5.597246      7.155906
  C     -10.670827      5.209387      5.815551
  Br    -11.948294      5.944034      4.589534
  C      -9.712166      4.320159      5.346229
  H      -1.870700     -0.962671      4.870528
  H      -4.517973     -2.530297      1.778805
  H      -4.205840     -5.002254      2.037028
  H      -3.748505     -5.973578      4.287259
  H      -3.895628     -2.023306      6.017886
  H      -5.957867      4.120550      4.362353
  H      -9.081900      7.843075      3.936089
  H     -10.405686      9.438526      5.346203
  H      -9.730749      9.866116      7.710634
  H      -6.397826      7.155006      7.224029
  H      -6.005453      0.992715      5.434953
  H      -8.051169      3.784608      8.275287
  H      -9.800877      5.384515      9.090888
  H     -11.484892      6.299751      7.497584
  H      -9.642834      4.046999      4.293061
  N      -2.594674      2.792860      3.402570
  N      -2.045446      2.946246      2.428107
73
Coordinates from ORCA-job orca E -13837.832039681027
  N      -2.000049      1.047275      5.591777
  Mo     -3.569549      2.339928      5.135898
  N      -4.576565      1.592809      6.835031
  C      -4.300335      2.371957      8.040928
  C      -2.799999      2.544528      8.108465
  N      -2.316016      3.213209      6.846047
  C      -0.884274      2.879094      6.580612
  C      -0.751413      1.397298      6.213541
  C      -2.492964      4.704170      6.961257
  C      -2.988290      5.254498      5.644830
  N      -4.040251      4.352094      5.202123
  H       0.102581      1.253072      5.532930
  H      -0.577859      0.774655      7.106709
  H      -0.559689      3.515459      5.747139
  H      -0.276932      3.127790      7.466753
  H      -3.380568      6.275770      5.753418
  H      -2.183169      5.265601      4.891614
  H      -3.241387      4.882754      7.743425
  H      -1.542637      5.157927      7.282289
  H      -4.654100      1.843289      8.943051
  H      -4.824723      3.342930      8.013876
  H      -2.315963      1.562438      8.171238
  H      -2.474409      3.146226      8.972075
  C      -2.433291     -0.035331      4.991842
  N      -3.628299      0.234427      4.428020
  C      -4.410418     -0.627113      3.679875
  O      -5.264045     -0.200064      2.908204
  C      -4.187334     -2.104338      3.860895
  C      -4.304550     -2.936052      2.738100
  C      -4.146663     -4.313583      2.871668
  C      -3.894351     -4.884381      4.123791
  C      -3.804373     -4.046773      5.234634
  Br     -3.488426     -4.810620      6.958100
  C      -3.941965     -2.664828      5.122929
  C      -5.255750      4.820079      4.851850
  N      -5.662531      6.031276      5.128202
  C      -6.904195      6.394103      4.601345
  O      -7.356590      5.993521      3.527597
  C      -7.659565      7.387655      5.437691
  C      -8.783291      8.024349      4.894826
  C      -9.525493      8.913318      5.668957
  C      -9.172934      9.165848      6.998864
  C      -8.062653      8.508703      7.528302
  Br     -7.592493      8.808002      9.363887
  C      -7.293783      7.634804      6.768869
  C      -5.781518      1.766746      6.222735
  N      -6.676490      2.656264      6.614479
  C      -7.756235      2.862085      5.752252
  O      -7.855053      2.413372      4.605004
  C      -8.785644      3.807598      6.300574
  C      -8.808954      4.186114      7.650177
  C      -9.781796      5.071789      8.111846
  C     -10.734003      5.598412      7.235039
  C     -10.685230      5.224152      5.891435
  Br    -11.968541      5.970474      4.679416
  C      -9.728780      4.341595      5.408493
  H      -1.879929     -0.977569      4.882214
  H      -4.524593     -2.486390      1.769478
  H      -4.225589     -4.961475      1.997071
  H      -3.778648     -5.962374      4.233714
  H      -3.900223     -2.035655      6.012432
  H      -5.906850      4.094256      4.335900
  H      -9.066564      7.799451      3.866586
  H     -10.399097      9.412064      5.245720
  H      -9.750402      9.858246      7.611666
  H      -6.425576      7.131137      7.190329
  H      -6.001381      1.046052      5.416479
  H      -8.055320      3.780932      8.324524
  H      -9.801252      5.370239      9.161623
  H     -11.494701      6.294266      7.587260
  H      -9.664573      4.078632      4.353232
  N      -2.547217      2.816168      3.454019
  N      -1.985232      2.961737      2.485573
73
Coordinates from ORCA-job orca E -13837.834342619703
  N      -1.977430      1.041126      5.593146
  Mo     -3.538275      2.342383      5.145735
  N      -4.588852      1.629184      6.824294
  C      -4.297408      2.388095      8.037108
  C      -2.793367      2.539963      8.110384
  N      -2.300953      3.208284      6.852078
  C      -0.869411      2.872673      6.591639
  C      -0.734799      1.390419      6.224996
  C      -2.475354      4.698666      6.974462
  C      -2.959634      5.257946      5.655359
  N      -4.002448      4.357498      5.197585
  H       0.124433      1.245888      5.551370
  H      -0.566802      0.768055      7.119231
  H      -0.543000      3.506891      5.757542
  H      -0.262208      3.121633      7.477315
  H      -3.353192      6.278189      5.768687
  H      -2.148423      5.276486      4.908832
  H      -3.235844      4.872647      7.745568
  H      -1.529916      5.147697      7.313675
  H      -4.660814      1.858953      8.934506
  H      -4.808666      3.366246      8.016242
  H      -2.322854      1.551427      8.170130
  H      -2.463769      3.132334      8.978074
  C      -2.423631     -0.038781      5.001015
  N      -3.615974      0.243581      4.440237
  C      -4.404831     -0.606584      3.690414
  O      -5.259680     -0.162521      2.927548
  C      -4.193463     -2.085631      3.852639
  C      -4.313847     -2.903151      2.720359
  C      -4.168562     -4.282763      2.838473
  C      -3.926552     -4.869265      4.084369
  C      -3.833519     -4.045688      5.204495
  Br     -3.531994     -4.830779      6.920418
  C      -3.957978     -2.662012      5.108365
  C      -5.213927      4.815215      4.831081
  N      -5.635208      6.025160      5.091591
  C      -6.874539      6.374156      4.555332
  O      -7.325916      5.939512      3.493916
  C      -7.649744      7.353644      5.387226
  C      -8.783406      7.967586      4.840554
  C      -9.537553      8.852378      5.606227
  C      -9.188163      9.120982      6.932786
  C      -8.070212      8.482878      7.467489
  Br     -7.607347      8.798382      9.300454
  C      -7.288221      7.615095      6.715830
  C      -5.799646      1.804932      6.239565
  N      -6.693508      2.683148      6.650274
  C      -7.773576      2.900799      5.789406
  O      -7.878158      2.446339      4.644821
  C      -8.803768      3.835462      6.346481
  C      -8.819765      4.207862      7.696953
  C      -9.799552      5.078539      8.170292
  C     -10.766695      5.594103      7.304785
  C     -10.725059      5.225846      5.959895
  Br    -12.032670      5.952827      4.765340
  C      -9.761201      4.359331      5.464624
  H      -1.890447     -0.993121      4.899014
  H      -4.526802     -2.441135      1.756787
  H      -4.249238     -4.919540      1.957005
  H      -3.821201     -5.948732      4.182439
  H      -3.913272     -2.044051      6.004727
  H      -5.855402      4.078570      4.318864
  H      -9.063517      7.730041      3.814972
  H     -10.417269      9.334900      5.179262
  H      -9.773525      9.811424      7.538745
  H      -6.413085      7.128420      7.141091
  H      -6.000792      1.118739      5.398120
  H      -8.055572      3.810525      8.362542
  H      -9.813559      5.372615      9.220487
  H     -11.535514      6.274747      7.667059
  H      -9.704979      4.099173      4.408598
  N      -2.484006      2.831376      3.497350
  N      -1.905916      2.968878      2.534473
73
Coordinates from ORCA-job orca E -13837.836440569527
  N      -1.957423      1.034497      5.588476
  Mo     -3.520008      2.333254      5.159386
  N      -4.605453      1.642892      6.821739
  C      -4.297580      2.375092      8.046034
  C      -2.790885      2.513991      8.118520
  N      -2.298497      3.190991      6.866615
  C      -0.864978      2.865077      6.607734
  C      -0.720851      1.384954      6.231449
  C      -2.481924      4.678527      7.002354
  C      -2.965695      5.249212      5.685510
  N      -3.995394      4.344334      5.210133
  H       0.143122      1.249295      5.562102
  H      -0.553919      0.756996      7.121864
  H      -0.540089      3.502990      5.775983
  H      -0.257817      3.111431      7.493948
  H      -3.368665      6.264327      5.811450
  H      -2.150977      5.286729      4.943358
  H      -3.253531      4.841790      7.764659
  H      -1.544287      5.132077      7.355375
  H      -4.664694      1.836500      8.935884
  H      -4.802167      3.357118      8.038935
  H      -2.330441      1.520115      8.169303
  H      -2.460294      3.093263      8.994258
  C      -2.406812     -0.044439      4.998477
  N      -3.601536      0.240346      4.444305
  C      -4.391669     -0.601460      3.691480
  O      -5.254786     -0.144575      2.942247
  C      -4.179704     -2.080754      3.825477
  C      -4.299277     -2.880068      2.680495
  C      -4.153713     -4.261133      2.776663
  C      -3.912370     -4.866775      4.012999
  C      -3.820072     -4.061758      5.146154
  Br     -3.519470     -4.872549      6.849791
  C      -3.944641     -2.676894      5.071996
  C      -5.205564      4.787632      4.835672
  N      -5.647522      5.993976      5.082594
  C      -6.882170      6.323649      4.529530
  O      -7.310234      5.878843      3.461044
  C      -7.664518      7.326139      5.322756
  C      -8.779071      7.939816      4.738303
  C      -9.538556      8.851127      5.466052
  C      -9.214180      9.145450      6.792929
  C      -8.116512      8.506568      7.366803
  Br     -7.691669      8.854020      9.201539
  C      -7.328105      7.613635      6.652315
  C      -5.824614      1.814911      6.271404
  N      -6.722582      2.670798      6.713086
  C      -7.810892      2.901920      5.868638
  O      -7.927430      2.459539      4.719553
  C      -8.819667      3.850186      6.435415
  C      -8.815616      4.221007      7.786219
  C      -9.777445      5.105082      8.270841
  C     -10.745645      5.635530      7.416380
  C     -10.724319      5.268667      6.070557
  Br    -12.032733      6.014463      4.892050
  C      -9.778780      4.388049      5.564612
  H      -1.884507     -1.004840      4.896534
  H      -4.511924     -2.402939      1.724432
  H      -4.233552     -4.883348      1.885091
  H      -3.806987     -5.947541      4.093975
  H      -3.899775     -2.073340      5.977824
  H      -5.840828      4.043403      4.325161
  H      -9.039917      7.681290      3.712758
  H     -10.402675      9.333282      5.008708
  H      -9.803816      9.856676      7.369722
  H      -6.468173      7.127181      7.107244
  H      -6.013405      1.166897      5.395463
  H      -8.050133      3.811517      8.442462
  H      -9.775539      5.397862      9.321257
  H     -11.501145      6.326100      7.787577
  H      -9.739282      4.126038      4.508229
  N      -2.441207      2.844064      3.534278
  N      -1.853762      2.987389      2.578582
73
Coordinates from ORCA-job orca E -13837.838366519487
  N      -1.939374      1.030868      5.584493
  Mo     -3.501320      2.324962      5.159802
  N      -4.626184      1.672954      6.810946
  C      -4.304549      2.384396      8.045188
  C      -2.795868      2.506099      8.117164
  N      -2.297160      3.183199      6.869287
  C      -0.860739      2.861924      6.619974
  C      -0.709788      1.381572      6.242366
  C      -2.487944      4.669531      7.005243
  C      -2.968889      5.243231      5.687338
  N      -3.987879      4.331345      5.198981
  H       0.161368      1.249215      5.581524
  H      -0.550464      0.751216      7.132477
  H      -0.531638      3.498709      5.788908
  H      -0.257587      3.108698      7.508925
  H      -3.381520      6.253706      5.819834
  H      -2.150337      5.295291      4.950098
  H      -3.269818      4.829714      7.757839
  H      -1.557318      5.130162      7.367335
  H      -4.678543      1.840769      8.928956
  H      -4.800664      3.370965      8.046831
  H      -2.348412      1.505817      8.165029
  H      -2.464479      3.076345      8.998805
  C      -2.389336     -0.051754      4.999522
  N      -3.586280      0.230956      4.446581
  C      -4.377569     -0.607145      3.693942
  O      -5.249114     -0.145092      2.955171
  C      -4.163337     -2.086211      3.810146
  C      -4.281146     -2.875346      2.657865
  C      -4.133102     -4.257278      2.741573
  C      -3.890681     -4.873826      3.972511
  C      -3.799688     -4.079474      5.113455
  Br     -3.497290     -4.904526      6.809795
  C      -3.926796     -2.693822      5.051704
  C      -5.198413      4.764784      4.824889
  N      -5.650000      5.969504      5.068320
  C      -6.886337      6.292879      4.519209
  O      -7.324947      5.830866      3.460866
  C      -7.662991      7.305339      5.303495
  C      -8.770744      7.925499      4.712555
  C      -9.522736      8.850106      5.431999
  C      -9.198915      9.148893      6.758143
  C      -8.108705      8.503525      7.339727
  Br     -7.687027      8.855255      9.173890
  C      -7.326090      7.599357      6.632103
  C      -5.854286      1.838027      6.287922
  N      -6.759089      2.673363      6.751343
  C      -7.852222      2.905820      5.916416
  O      -7.989721      2.442604      4.777082
  C      -8.849879      3.869127      6.477099
  C      -8.825262      4.271636      7.819180
  C      -9.779087      5.168538      8.297157
  C     -10.760753      5.678659      7.445284
  C     -10.761984      5.279218      6.108028
  Br    -12.093992      5.987696      4.934721
  C      -9.822265      4.387255      5.609057
  H      -1.875435     -1.017502      4.903044
  H      -4.494429     -2.389676      1.705831
  H      -4.211869     -4.871067      1.843613
  H      -3.783395     -5.955527      4.043558
  H      -3.882370     -2.098121      5.963000
  H      -5.839486      4.017163      4.323345
  H      -9.031201      7.662040      3.687827
  H     -10.381227      9.337132      4.968641
  H      -9.784321      9.868989      7.329105
  H      -6.471547      7.107598      7.092272
  H      -6.036055      1.221885      5.385624
  H      -8.050157      3.875344      8.472912
  H      -9.760899      5.485620      9.340748
  H     -11.511383      6.377536      7.811980
  H      -9.800237      4.098066      4.558943
  N      -2.393148      2.841423      3.550115
  N      -1.794897      2.990073      2.604090
73
Coordinates from ORCA-job orca E -13837.840112289448
  N      -1.926025      1.025572      5.581849
  Mo     -3.492143      2.309879      5.163472
  N      -4.651448      1.690152      6.803818
  C      -4.320907      2.374654      8.053015
  C      -2.811443      2.483259      8.122897
  N      -2.306832      3.167050      6.881798
  C      -0.866077      2.854213      6.642701
  C      -0.704597      1.375771      6.257799
  C      -2.509912      4.652010      7.019066
  C      -2.988617      5.229256      5.701397
  N      -3.996682      4.308885      5.198218
  H       0.174878      1.251777      5.606184
  H      -0.554031      0.738822      7.144699
  H      -0.533283      3.495169      5.816164
  H      -0.270201      3.099328      7.537256
  H      -3.413891      6.233522      5.840886
  H      -2.166523      5.297935      4.969487
  H      -3.299682      4.805735      7.764916
  H      -1.586481      5.122109      7.388043
  H      -4.699843      1.818687      8.926829
  H      -4.812066      3.363615      8.070996
  H      -2.373159      1.478234      8.162169
  H      -2.479104      3.041939      9.012279
  C      -2.370626     -0.061726      4.996544
  N      -3.570851      0.214928      4.444411
  C      -4.360530     -0.620541      3.688056
  O      -5.242018     -0.157815      2.960758
  C      -4.133996     -2.099421      3.782646
  C      -4.245222     -2.874837      2.620200
  C      -4.085342     -4.256952      2.686254
  C      -3.836974     -4.887817      3.909272
  C      -3.752049     -4.107656      5.060963
  Br     -3.441366     -4.952031      6.746363
  C      -3.891152     -2.721902      5.016780
  C      -5.209412      4.733007      4.823012
  N      -5.669203      5.937173      5.060405
  C      -6.902417      6.254041      4.501650
  O      -7.343773      5.773169      3.452077
  C      -7.677852      7.286470      5.261935
  C      -8.773950      7.908282      4.650295
  C      -9.519010      8.857903      5.345388
  C      -9.200251      9.179993      6.667879
  C      -8.124020      8.531038      7.272256
  Br     -7.711797      8.914006      9.102860
  C      -7.348316      7.602016      6.588284
  C      -5.891578      1.847976      6.306945
  N      -6.802379      2.657594      6.801708
  C      -7.904348      2.898818      5.983095
  O      -8.072519      2.428903      4.850284
  C      -8.875805      3.887940      6.548675
  C      -8.821824      4.307893      7.885375
  C      -9.749935      5.230588      8.366135
  C     -10.733413      5.751128      7.521897
  C     -10.763814      5.335659      6.189211
  Br    -12.095477      6.059549      5.024931
  C      -9.851184      4.415237      5.689360
  H      -1.857394     -1.028078      4.900349
  H      -4.462821     -2.378495      1.674044
  H      -4.159616     -4.859337      1.779483
  H      -3.720465     -5.969966      3.966165
  H      -3.851217     -2.137162      5.935820
  H      -5.852643      3.984021      4.323216
  H      -9.028320      7.628413      3.627870
  H     -10.366838      9.347781      4.864301
  H      -9.779251      9.921733      7.218743
  H      -6.502920      7.108738      7.064662
  H      -6.075656      1.266754      5.380618
  H      -8.044855      3.902123      8.532155
  H      -9.709134      5.560134      9.405851
  H     -11.464280      6.470157      7.891010
  H      -9.852782      4.109149      4.643402
  N      -2.356632      2.836344      3.564994
  N      -1.745652      3.003597      2.628220
73
Coordinates from ORCA-job orca E -13837.841593020932
  N      -1.916877      1.020412      5.580898
  Mo     -3.486561      2.294506      5.160147
  N      -4.678501      1.713561      6.789036
  C      -4.345295      2.375793      8.050750
  C      -2.835578      2.471617      8.122081
  N      -2.321167      3.156814      6.886328
  C      -0.876457      2.848786      6.661763
  C      -0.705557      1.371303      6.276179
  C      -2.533659      4.641595      7.016755
  C      -3.007282      5.216072      5.696333
  N      -4.006345      4.288082      5.183662
  H       0.183617      1.252306      5.636910
  H      -0.567498      0.731165      7.162641
  H      -0.538329      3.492062      5.839220
  H      -0.291144      3.095342      7.562933
  H      -3.443559      6.215524      5.835901
  H      -2.181931      5.294318      4.969400
  H      -3.327921      4.792638      7.758271
  H      -1.615106      5.118889      7.389232
  H      -4.730548      1.809897      8.915036
  H      -4.831497      3.366788      8.082368
  H      -2.405072      1.463011      8.155804
  H      -2.500554      3.022779      9.015633
  C      -2.355030     -0.072783      4.996929
  N      -3.556776      0.197106      4.443390
  C      -4.344797     -0.638530      3.684660
  O      -5.234876     -0.179310      2.966942
  C      -4.103061     -2.117092      3.765387
  C      -4.206475     -2.882283      2.595363
  C      -4.032154     -4.263498      2.647839
  C      -3.776554     -4.904389      3.864421
  C      -3.699115     -4.134561      5.023949
  Br     -3.378641     -4.992980      6.700481
  C      -3.852767     -2.749773      4.993279
  C      -5.223780      4.705702      4.812772
  N      -5.685335      5.909105      5.053457
  C      -6.922362      6.222591      4.500605
  O      -7.378440      5.730936      3.462726
  C      -7.683160      7.275678      5.250076
  C      -8.766323      7.911693      4.629788
  C      -9.495264      8.881505      5.314710
  C      -9.174516      9.209454      6.635575
  C      -8.111880      8.546234      7.248894
  Br     -7.698694      8.937519      9.078427
  C      -7.351277      7.597770      6.574545
  C      -5.930516      1.861712      6.312692
  N      -6.846631      2.647780      6.833384
  C      -7.960739      2.884507      6.027964
  O      -8.167529      2.382496      4.916390
  C      -8.907185      3.902808      6.589652
  C      -8.814027      4.363090      7.911207
  C      -9.719416      5.310924      8.386915
  C     -10.719168      5.816677      7.552417
  C     -10.788976      5.361028      6.234255
  Br    -12.145424      6.061072      5.082879
  C      -9.898423      4.415929      5.739899
  H      -1.839196     -1.037932      4.903443
  H      -4.429432     -2.379046      1.653935
  H      -4.100869     -4.857288      1.734749
  H      -3.648863     -5.985905      3.910438
  H      -3.818540     -2.173543      5.918056
  H      -5.869084      3.955256      4.317717
  H      -9.022671      7.627028      3.609078
  H     -10.332802      9.382575      4.826794
  H      -9.741668      9.966589      7.178032
  H      -6.516283      7.093111      7.057708
  H      -6.119005      1.309373      5.369504
  H      -8.025281      3.966903      8.549988
  H      -9.648339      5.671470      9.414800
  H     -11.432765      6.554709      7.918253
  H      -9.930080      4.077519      4.704367
  N      -2.324118      2.824068      3.574176
  N      -1.699821      3.009827      2.652555
73
Coordinates from ORCA-job orca E -13837.842763337894
  N      -1.910066      1.014500      5.581193
  Mo     -3.476678      2.284945      5.154110
  N      -4.711265      1.739744      6.765894
  C      -4.376326      2.378014      8.040740
  C      -2.866149      2.459431      8.121206
  N      -2.335434      3.146084      6.893071
  C      -0.887454      2.838185      6.688174
  C      -0.710843      1.361554      6.301562
  C      -2.550364      4.631442      7.018098
  C      -3.009926      5.206284      5.691687
  N      -4.002283      4.276978      5.165242
  H       0.190886      1.244318      5.678173
  H      -0.590719      0.717771      7.188489
  H      -0.538332      3.482674      5.871449
  H      -0.314905      3.083353      7.598144
  H      -3.451289      6.203974      5.828881
  H      -2.176680      5.288596      4.973711
  H      -3.352007      4.783803      7.751473
  H      -1.634992      5.109590      7.399107
  H      -4.771595      1.801918      8.894194
  H      -4.855171      3.372587      8.084803
  H      -2.446123      1.446027      8.151279
  H      -2.531202      3.001842      9.020434
  C      -2.342630     -0.081647      4.996786
  N      -3.542218      0.185899      4.437525
  C      -4.327241     -0.648182      3.674817
  O      -5.220790     -0.189238      2.961926
  C      -4.077349     -2.126083      3.746138
  C      -4.170169     -2.884514      2.571303
  C      -3.986507     -4.264668      2.616293
  C      -3.731835     -4.911391      3.829671
  C      -3.664858     -4.148357      4.993879
  Br     -3.345882     -5.014781      6.666046
  C      -3.828020     -2.764812      4.970741
  C      -5.219628      4.691772      4.793405
  N      -5.683007      5.895203      5.031939
  C      -6.926333      6.196923      4.487701
  O      -7.398457      5.680991      3.469593
  C      -7.688911      7.250030      5.238619
  C      -8.803263      7.849095      4.642785
  C      -9.537145      8.810354      5.335790
  C      -9.186850      9.170971      6.637759
  C      -8.088439      8.551518      7.222964
  Br     -7.624668      9.002804      9.019612
  C      -7.326428      7.606779      6.542915
  C      -5.968991      1.880035      6.305162
  N      -6.890645      2.642441      6.854016
  C      -8.019878      2.874361      6.066355
  O      -8.260754      2.344920      4.973032
  C      -8.934895      3.928384      6.620984
  C      -8.808513      4.420564      7.929946
  C      -9.681419      5.403976      8.395939
  C     -10.676388      5.919307      7.561756
  C     -10.782458      5.428437      6.257336
  Br    -12.137093      6.134846      5.107626
  C      -9.929127      4.442837      5.775431
  H      -1.824671     -1.047398      4.916213
  H      -4.392180     -2.377233      1.631960
  H      -4.047141     -4.853090      1.699266
  H      -3.596855     -5.992211      3.869700
  H      -3.801696     -2.194015      5.898895
  H      -5.866016      3.939546      4.303201
  H      -9.083160      7.538040      3.637465
  H     -10.401897      9.278939      4.869215
  H      -9.758793      9.919985      7.187096
  H      -6.465121      7.133414      7.005576
  H      -6.156484      1.356707      5.342347
  H      -8.020485      4.019310      8.566770
  H      -9.587105      5.786174      9.415461
  H     -11.358923      6.691308      7.917617
  H      -9.991086      4.073764      4.751084
  N      -2.281862      2.816863      3.585730
  N      -1.637769      3.013599      2.678245
73
Coordinates from ORCA-job orca E -13837.844022437363
  N      -1.908691      1.012304      5.574104
  Mo     -3.483764      2.271945      5.155997
  N      -4.734556      1.751826      6.757498
  C      -4.395791      2.364501      8.043660
  C      -2.886074      2.439796      8.121978
  N      -2.353067      3.133313      6.899816
  C      -0.902870      2.831961      6.701883
  C      -0.718025      1.358475      6.309203
  C      -2.575225      4.617862      7.024092
  C      -3.033830      5.191813      5.697638
  N      -4.021613      4.260578      5.165051
  H       0.190063      1.248722      5.694447
  H      -0.605986      0.709077      7.192502
  H      -0.552637      3.482652      5.890488
  H      -0.337385      3.075458      7.616486
  H      -3.481304      6.186490      5.835582
  H      -2.199799      5.279245      4.982437
  H      -3.375274      4.767022      7.758770
  H      -1.661954      5.099086      7.403833
  H      -4.790486      1.773410      8.886533
  H      -4.873199      3.358814      8.108335
  H      -2.469631      1.424683      8.140586
  H      -2.545294      2.972641      9.024922
  C      -2.334071     -0.086555      4.988264
  N      -3.537065      0.172589      4.434308
  C      -4.320919     -0.662436      3.671537
  O      -5.226375     -0.206925      2.971540
  C      -4.051361     -2.138714      3.727960
  C      -4.138655     -2.886304      2.545444
  C      -3.935595     -4.264258      2.575375
  C      -3.666575     -4.919877      3.780897
  C      -3.605537     -4.167700      4.952891
  Br     -3.267148     -5.047038      6.614688
  C      -3.788417     -2.786585      4.944826
  C      -5.242138      4.674030      4.803570
  N      -5.701169      5.878981      5.043094
  C      -6.946024      6.180203      4.501442
  O      -7.431515      5.649279      3.497785
  C      -7.686758      7.265761      5.225868
  C      -8.783786      7.878968      4.607121
  C      -9.501705      8.868774      5.275250
  C      -9.153247      9.244160      6.575830
  C      -8.068178      8.613681      7.182631
  Br     -7.604143      9.090024      8.977523
  C      -7.322687      7.640166      6.526550
  C      -6.003377      1.878249      6.318283
  N      -6.931116      2.610992      6.899403
  C      -8.081504      2.821230      6.134864
  O      -8.363271      2.245393      5.075487
  C      -8.969302      3.905385      6.676371
  C      -8.806943      4.438624      7.964757
  C      -9.653197      5.452118      8.414484
  C     -10.654795      5.959107      7.582381
  C     -10.798337      5.424373      6.299665
  Br    -12.164883      6.116044      5.153372
  C      -9.973785      4.406598      5.835483
  H      -1.804029     -1.045104      4.917036
  H      -4.371441     -2.372837      1.612022
  H      -3.992125     -4.844029      1.652586
  H      -3.516280     -5.998822      3.809096
  H      -3.766606     -2.225048      5.878948
  H      -5.888672      3.922645      4.316056
  H      -9.063236      7.555321      3.604463
  H     -10.355085      9.347266      4.792038
  H      -9.718069     10.009683      7.108932
  H      -6.473738      7.155831      7.006707
  H      -6.195765      1.379614      5.346477
  H      -8.012558      4.045056      8.598691
  H      -9.531896      5.865526      9.418490
  H     -11.311021      6.760034      7.922695
  H     -10.063484      4.003746      4.826693
  N      -2.276137      2.811196      3.597331
  N      -1.620838      3.026002      2.699697
73
Coordinates from ORCA-job orca E -13837.845247408646
  N      -1.911526      1.014277      5.571386
  Mo     -3.495894      2.266880      5.162402
  N      -4.748601      1.766845      6.753426
  C      -4.407899      2.354605      8.047552
  C      -2.898976      2.426221      8.123562
  N      -2.365756      3.127169      6.906502
  C      -0.915133      2.828059      6.710610
  C      -0.727537      1.357622      6.315044
  C      -2.588510      4.612429      7.030525
  C      -3.042015      5.184068      5.702780
  N      -4.032667      4.259635      5.166675
  H       0.183951      1.250871      5.707517
  H      -0.622756      0.705197      7.195875
  H      -0.565507      3.484981      5.903587
  H      -0.354217      3.070081      7.627947
  H      -3.486374      6.180447      5.835437
  H      -2.205007      5.264760      4.991726
  H      -3.381551      4.761617      7.772264
  H      -1.672191      5.089545      7.406055
  H      -4.797967      1.747045      8.879627
  H      -4.883634      3.347584      8.138137
  H      -2.483481      1.410692      8.127747
  H      -2.546736      2.949900      9.027288
  C      -2.334278     -0.086563      4.986191
  N      -3.539664      0.166660      4.439414
  C      -4.327059     -0.668783      3.678148
  O      -5.240855     -0.213234      2.990114
  C      -4.042535     -2.144405      3.721972
  C      -4.129202     -2.878255      2.529506
  C      -3.913741     -4.255194      2.540807
  C      -3.633016     -4.923666      3.737549
  C      -3.573396     -4.184553      4.919280
  Br     -3.220118     -5.083204      6.569729
  C      -3.768809     -2.804607      4.929937
  C      -5.256990      4.679784      4.818654
  N      -5.709469      5.886966      5.063545
  C      -6.966276      6.178050      4.537130
  O      -7.472453      5.621910      3.558324
  C      -7.694048      7.278182      5.250756
  C      -8.813979      7.861342      4.640999
  C      -9.530393      8.854092      5.300718
  C      -9.156478      9.264928      6.584433
  C      -8.042049      8.669733      7.179922
  Br     -7.535648      9.204643      8.950731
  C      -7.299929      7.691649      6.531621
  C      -6.025194      1.876701      6.329104
  N      -6.951928      2.581665      6.939484
  C      -8.132236      2.742927      6.204423
  O      -8.460209      2.084525      5.214397
  C      -8.982291      3.876173      6.694825
  C      -8.784609      4.475301      7.943787
  C      -9.594813      5.534060      8.343012
  C     -10.592911      6.022648      7.496520
  C     -10.771368      5.419152      6.254261
  Br    -12.134384      6.084572      5.087602
  C      -9.986062      4.354607      5.841099
  H      -1.782334     -1.032935      4.937213
  H      -4.371690     -2.355746      1.602797
  H      -3.969973     -4.824923      1.611077
  H      -3.473317     -6.002003      3.751596
  H      -3.748961     -2.254837      5.872116
  H      -5.897670      3.926983      4.328525
  H      -9.114262      7.509187      3.653306
  H     -10.405215      9.306829      4.827336
  H      -9.726282     10.025087      7.115558
  H      -6.431305      7.231482      7.003987
  H      -6.229221      1.394659      5.358064
  H      -7.992619      4.097969      8.588921
  H      -9.448587      5.997573      9.317665
  H     -11.212627      6.865968      7.793123
  H     -10.102159      3.900348      4.861127
  N      -2.288676      2.805511      3.611939
  N      -1.629673      3.036606      2.726727
73
Coordinates from ORCA-job orca E -13837.846162696031
  N      -1.910176      1.014977      5.567415
  Mo     -3.496485      2.264424      5.158852
  N      -4.770869      1.781140      6.731941
  C      -4.435785      2.344874      8.036245
  C      -2.927299      2.411731      8.123204
  N      -2.381788      3.118354      6.914269
  C      -0.928787      2.820855      6.731721
  C      -0.735906      1.353173      6.329372
  C      -2.605273      4.603593      7.040677
  C      -3.047140      5.179087      5.709521
  N      -4.035824      4.257981      5.161939
  H       0.184846      1.249818      5.733720
  H      -0.643444      0.695350      7.208049
  H      -0.571041      3.482189      5.932460
  H      -0.377646      3.058220      7.656189
  H      -3.491054      6.176087      5.841570
  H      -2.202400      5.260410      5.005988
  H      -3.403251      4.751745      7.779198
  H      -1.689323      5.079567      7.423779
  H      -4.832645      1.723532      8.855288
  H      -4.908736      3.336755      8.142162
  H      -2.517087      1.394540      8.122837
  H      -2.578426      2.926532      9.032177
  C      -2.327000     -0.086324      4.979164
  N      -3.530422      0.164393      4.429239
  C      -4.314302     -0.670141      3.664719
  O      -5.230714     -0.214427      2.982015
  C      -4.026014     -2.143727      3.704209
  C      -4.106091     -2.874394      2.510985
  C      -3.882003     -4.248914      2.519542
  C      -3.599266     -4.917913      3.714091
  C      -3.546736     -4.181859      4.896146
  Br     -3.190394     -5.080785      6.543969
  C      -3.750748     -2.804450      4.909679
  C      -5.264072      4.677072      4.826482
  N      -5.720592      5.881793      5.079354
  C      -6.996391      6.153582      4.588184
  O      -7.534821      5.568922      3.645196
  C      -7.697447      7.277666      5.290597
  C      -8.848286      7.831669      4.716911
  C      -9.538500      8.846433      5.371802
  C      -9.105394      9.310069      6.613938
  C      -7.960762      8.743678      7.172861
  Br     -7.373835      9.348316      8.888812
  C      -7.244991      7.743738      6.529308
  C      -6.049694      1.879413      6.320388
  N      -6.979843      2.558218      6.951085
  C      -8.188236      2.676476      6.251622
  O      -8.570022      1.935526      5.341113
  C      -9.008908      3.851141      6.693828
  C      -8.753391      4.539777      7.887405
  C      -9.539950      5.633194      8.242081
  C     -10.576199      6.063349      7.406973
  C     -10.811248      5.371037      6.219614
  Br    -12.224963      5.957072      5.066900
  C     -10.046436      4.274303      5.849795
  H      -1.765145     -1.028605      4.944617
  H      -4.349138     -2.351880      1.585930
  H      -3.932504     -4.816365      1.589562
  H      -3.432412     -5.994241      3.726113
  H      -3.735369     -2.257467      5.851894
  H      -5.905824      3.921591      4.340456
  H      -9.193688      7.440036      3.762007
  H     -10.437203      9.275644      4.927698
  H      -9.654069     10.088211      7.142418
  H      -6.352509      7.307677      6.972833
  H      -6.256913      1.417425      5.336404
  H      -7.934755      4.205590      8.524806
  H      -9.345283      6.169394      9.172971
  H     -11.179354      6.931863      7.667535
  H     -10.208532      3.749346      4.910216
  N      -2.268905      2.806308      3.623329
  N      -1.596133      3.042729      2.747372
73
Coordinates from ORCA-job orca E -13837.846876109301
  N      -1.901728      1.009896      5.568251
  Mo     -3.486904      2.264893      5.170859
  N      -4.781039      1.790902      6.722983
  C      -4.442184      2.325236      8.039563
  C      -2.931780      2.384931      8.133599
  N      -2.379131      3.101517      6.933342
  C      -0.925744      2.803688      6.755902
  C      -0.733054      1.338995      6.342435
  C      -2.600156      4.585988      7.072744
  C      -3.032048      5.175009      5.742547
  N      -4.018800      4.261331      5.180047
  H       0.193304      1.237707      5.753879
  H      -0.648915      0.674430      7.217561
  H      -0.562333      3.469772      5.963643
  H      -0.378256      3.032514      7.684511
  H      -3.471529      6.173599      5.879723
  H      -2.180575      5.258553      5.046116
  H      -3.403007      4.729619      7.807660
  H      -1.685004      5.057059      7.466287
  H      -4.844082      1.688711      8.845129
  H      -4.910456      3.317955      8.166279
  H      -2.527550      1.365045      8.124766
  H      -2.584602      2.887543      9.049998
  C      -2.321489     -0.088123      4.976263
  N      -3.524307      0.168472      4.428313
  C      -4.312392     -0.658946      3.661603
  O      -5.233662     -0.193216      2.990138
  C      -4.024047     -2.132259      3.680127
  C      -4.109997     -2.848469      2.478023
  C      -3.881959     -4.222851      2.467646
  C      -3.589416     -4.905950      3.652224
  C      -3.531003     -4.184402      4.843330
  Br     -3.160600     -5.102264      6.478215
  C      -3.738622     -2.807177      4.875855
  C      -5.246667      4.678308      4.843883
  N      -5.715458      5.880033      5.092476
  C      -6.987453      6.134247      4.577940
  O      -7.511353      5.519758      3.642741
  C      -7.704251      7.272417      5.245692
  C      -8.855720      7.799916      4.645783
  C      -9.560963      8.830787      5.264995
  C      -9.142475      9.335674      6.499874
  C      -7.999235      8.793162      7.088353
  Br     -7.437667      9.445446      8.802103
  C      -7.267009      7.779829      6.478222
  C      -6.063301      1.886959      6.331850
  N      -6.991180      2.542305      6.992884
  C      -8.223835      2.645882      6.332304
  O      -8.647881      1.864158      5.475855
  C      -9.017757      3.845507      6.758389
  C      -8.728127      4.556861      7.932342
  C      -9.494797      5.667813      8.284068
  C     -10.545428      6.092286      7.466634
  C     -10.811819      5.380320      6.295399
  Br    -12.236373      5.967437      5.159494
  C     -10.068212      4.265377      5.927939
  H      -1.760338     -1.032706      4.947058
  H      -4.360050     -2.315053      1.560931
  H      -3.936634     -4.779001      1.530806
  H      -3.419162     -5.982201      3.649609
  H      -3.717240     -2.271916      5.824937
  H      -5.882358      3.921448      4.348540
  H      -9.188998      7.377973      3.697246
  H     -10.458229      9.240131      4.798453
  H      -9.701870     10.128452      6.999564
  H      -6.374944      7.364271      6.943151
  H      -6.274914      1.450846      5.329572
  H      -7.901698      4.225258      8.558918
  H      -9.272069      6.221963      9.198522
  H     -11.134996      6.972359      7.725847
  H     -10.260480      3.722034      5.001443
  N      -2.252598      2.816390      3.646217
  N      -1.574339      3.051660      2.773146
73
Coordinates from ORCA-job orca E -13837.847380507425
  N      -1.904050      1.008074      5.574355
  Mo     -3.492142      2.263403      5.186469
  N      -4.792891      1.814491      6.734951
  C      -4.444169      2.336466      8.053690
  C      -2.931807      2.388391      8.143108
  N      -2.378466      3.100667      6.941475
  C      -0.925617      2.799877      6.763621
  C      -0.736275      1.333840      6.351411
  C      -2.595419      4.585804      7.080056
  C      -3.024952      5.174936      5.749759
  N      -4.014199      4.264306      5.189093
  H       0.191291      1.228802      5.765986
  H      -0.655533      0.669779      7.227774
  H      -0.560831      3.463633      5.969575
  H      -0.376113      3.028636      7.691770
  H      -3.458208      6.176485      5.885097
  H      -2.172816      5.252387      5.055173
  H      -3.398176      4.733867      7.812462
  H      -1.680457      5.054513      7.472475
  H      -4.846436      1.695758      8.855128
  H      -4.907420      3.329424      8.192099
  H      -2.533451      1.366388      8.135316
  H      -2.582269      2.889779      9.059427
  C      -2.329628     -0.093008      4.988513
  N      -3.535386      0.163670      4.446227
  C      -4.330415     -0.661051      3.684248
  O      -5.257328     -0.190571      3.022579
  C      -4.030289     -2.132080      3.673963
  C      -4.111352     -2.825134      2.456967
  C      -3.865985     -4.196884      2.417628
  C      -3.561286     -4.900901      3.588366
  C      -3.508458     -4.203182      4.794959
  Br     -3.122028     -5.149800      6.411526
  C      -3.732689     -2.828422      4.856335
  C      -5.242971      4.679618      4.866394
  N      -5.711864      5.880941      5.113986
  C      -6.988327      6.126532      4.606029
  O      -7.527769      5.488008      3.694774
  C      -7.698142      7.274276      5.263178
  C      -8.871898      7.773350      4.685826
  C      -9.566219      8.817252      5.295836
  C      -9.114011      9.362796      6.500648
  C      -7.951538      8.845631      7.069129
  Br     -7.347628      9.546059      8.747362
  C      -7.229247      7.821200      6.466234
  C      -6.083276      1.892862      6.365000
  N      -7.012214      2.525760      7.041762
  C      -8.267424      2.584351      6.423996
  O      -8.713698      1.746475      5.636465
  C      -9.044539      3.816891      6.782585
  C      -8.729581      4.599872      7.903821
  C      -9.481822      5.737535      8.197840
  C     -10.541291      6.118449      7.373209
  C     -10.831624      5.337125      6.252371
  Br    -12.258560      5.872385      5.097272
  C     -10.106418      4.192268      5.945781
  H      -1.770601     -1.039278      4.964346
  H      -4.369605     -2.275148      1.550612
  H      -3.915882     -4.734482      1.468536
  H      -3.377185     -5.975367      3.563165
  H      -3.714372     -2.312384      5.817088
  H      -5.883858      3.923733      4.378800
  H      -9.230130      7.320970      3.761350
  H     -10.479370      9.205646      4.844815
  H      -9.661608     10.168702      6.991255
  H      -6.320545      7.426793      6.914490
  H      -6.300324      1.463183      5.371417
  H      -7.896338      4.301675      8.537333
  H      -9.237669      6.348383      9.069837
  H     -11.119900      7.016747      7.586632
  H     -10.323896      3.591409      5.061940
  N      -2.268861      2.809236      3.654073
  N      -1.595490      3.034294      2.775973
73
Coordinates from ORCA-job orca E -13837.847907301204
  N      -1.900579      1.009058      5.578236
  Mo     -3.481926      2.271091      5.178312
  N      -4.808458      1.830167      6.706068
  C      -4.465274      2.339272      8.033176
  C      -2.952951      2.386729      8.137410
  N      -2.384867      3.101917      6.943584
  C      -0.930731      2.797870      6.780050
  C      -0.741133      1.330844      6.369873
  C      -2.599022      4.587466      7.087080
  C      -3.003283      5.184043      5.751233
  N      -3.986854      4.279128      5.171667
  H       0.193794      1.221569      5.796616
  H      -0.672753      0.667654      7.248234
  H      -0.556214      3.460584      5.989529
  H      -0.389649      3.025098      7.713781
  H      -3.431151      6.188276      5.882343
  H      -2.138239      5.257966      5.071822
  H      -3.415346      4.734465      7.805178
  H      -1.689147      5.050765      7.498578
  H      -4.875703      1.692401      8.825545
  H      -4.925505      3.332677      8.179763
  H      -2.556506      1.363773      8.132390
  H      -2.614306      2.885419      9.059520
  C      -2.327615     -0.092274      4.992934
  N      -3.527667      0.169820      4.439447
  C      -4.321934     -0.653130      3.674960
  O      -5.249497     -0.182155      3.014517
  C      -4.029395     -2.123312      3.668574
  C      -4.100634     -2.817251      2.454006
  C      -3.855285     -4.187222      2.419185
  C      -3.560913     -4.888684      3.591932
  C      -3.518991     -4.190369      4.795886
  Br     -3.148371     -5.132557      6.415582
  C      -3.743007     -2.817328      4.852865
  C      -5.212892      4.691767      4.838414
  N      -5.689336      5.889473      5.088556
  C      -6.962482      6.132788      4.571418
  O      -7.492012      5.501913      3.646719
  C      -7.679479      7.272667      5.231648
  C      -8.864361      7.755732      4.665776
  C      -9.563622      8.790764      5.282347
  C      -9.105168      9.342884      6.483258
  C      -7.934366      8.838826      7.042364
  Br     -7.325146      9.541049      8.719988
  C      -7.206320      7.824943      6.431557
  C      -6.098240      1.903254      6.335048
  N      -7.022187      2.524756      7.023245
  C      -8.286488      2.579741      6.430193
  O      -8.749538      1.728162      5.671119
  C      -9.061186      3.808466      6.800609
  C      -8.725729      4.587020      7.916545
  C      -9.474413      5.721604      8.230249
  C     -10.548827      6.105689      7.428508
  C     -10.857269      5.331455      6.309118
  Br    -12.293867      5.883108      5.175393
  C     -10.140153      4.185918      5.986950
  H      -1.777367     -1.043595      4.976242
  H      -4.349902     -2.268887      1.546022
  H      -3.896430     -4.725447      1.471849
  H      -3.376543     -5.961701      3.570065
  H      -3.732973     -2.301040      5.811495
  H      -5.848871      3.936776      4.342433
  H      -9.227799      7.297058      3.746367
  H     -10.485004      9.167077      4.838607
  H      -9.653004     10.144629      6.976234
  H      -6.289651      7.441400      6.872267
  H      -6.316557      1.481289      5.339320
  H      -7.879066      4.287797      8.532360
  H      -9.213014      6.329904      9.096525
  H     -11.125893      7.000385      7.657577
  H     -10.378176      3.587893      5.109511
  N      -2.257576      2.818416      3.647258
  N      -1.580929      3.038390      2.769710
73
Coordinates from ORCA-job orca E -13837.848312458469
  N      -1.893687      1.011399      5.588476
  Mo     -3.475819      2.274435      5.189941
  N      -4.815443      1.832203      6.699981
  C      -4.478288      2.326916      8.035998
  C      -2.967828      2.375034      8.148754
  N      -2.391848      3.098443      6.962899
  C      -0.935653      2.797126      6.806108
  C      -0.740714      1.331987      6.390508
  C      -2.609483      4.583549      7.115690
  C      -2.996356      5.189613      5.779105
  N      -3.971546      4.286081      5.183916
  H       0.198913      1.226499      5.824467
  H      -0.677533      0.665691      7.266158
  H      -0.557930      3.464130      6.020312
  H      -0.399955      3.021071      7.743479
  H      -3.424818      6.193592      5.911313
  H      -2.122731      5.267201      5.110514
  H      -3.438012      4.722861      7.821859
  H      -1.706644      5.045101      7.545155
  H      -4.891180      1.670486      8.819531
  H      -4.939965      3.318035      8.193970
  H      -2.568489      1.352965      8.142127
  H      -2.639245      2.870048      9.077015
  C      -2.320429     -0.088527      5.001227
  N      -3.519290      0.175934      4.443903
  C      -4.315036     -0.642752      3.676084
  O      -5.249185     -0.168003      3.025859
  C      -4.022214     -2.113463      3.653942
  C      -4.094859     -2.792726      2.430097
  C      -3.855151     -4.164293      2.378291
  C      -3.564721     -4.882369      3.543139
  C      -3.520965     -4.198808      4.756838
  Br     -3.158552     -5.164446      6.366092
  C      -3.739335     -2.824103      4.830763
  C      -5.198573      4.689493      4.841895
  N      -5.687389      5.884258      5.089900
  C      -6.958396      6.119414      4.564520
  O      -7.479076      5.483783      3.639864
  C      -7.683530      7.263467      5.205993
  C      -8.876455      7.725068      4.635464
  C      -9.579500      8.769234      5.230663
  C      -9.117052      9.352671      6.414653
  C      -7.939669      8.867799      6.979797
  Br     -7.321340      9.616664      8.631029
  C      -7.207911      7.845091      6.390162
  C      -6.111613      1.894473      6.335231
  N      -7.031681      2.499373      7.043990
  C      -8.307349      2.549941      6.482100
  O      -8.794280      1.684530      5.753185
  C      -9.065172      3.792183      6.845093
  C      -8.685974      4.598420      7.926749
  C      -9.410664      5.750469      8.229425
  C     -10.503542      6.125168      7.447495
  C     -10.856646      5.322687      6.361615
  Br    -12.318233      5.862663      5.252509
  C     -10.165003      4.158679      6.054755
  H      -1.778385     -1.042194      4.981326
  H      -4.343442     -2.231596      1.528420
  H      -3.898819     -4.691145      1.423297
  H      -3.385473     -5.957390      3.507784
  H      -3.730077     -2.319880      5.797297
  H      -5.827716      3.931249      4.336709
  H      -9.242217      7.242110      3.729343
  H     -10.507105      9.128848      4.781886
  H      -9.665547     10.165144      6.889465
  H      -6.283627      7.478899      6.833934
  H      -6.332007      1.481725      5.330198
  H      -7.821508      4.308555      8.523821
  H      -9.115722      6.380624      9.069838
  H     -11.063708      7.032062      7.667397
  H     -10.440459      3.537632      5.205591
  N      -2.261745      2.836534      3.652914
  N      -1.590348      3.058479      2.773924
73
Coordinates from ORCA-job orca E -13837.848597248807
  N      -1.891379      1.013068      5.593015
  Mo     -3.466406      2.281757      5.186379
  N      -4.821771      1.852583      6.684429
  C      -4.492899      2.344105      8.021952
  C      -2.983106      2.383398      8.146842
  N      -2.392608      3.101875      6.966318
  C      -0.937288      2.792917      6.821566
  C      -0.745547      1.327854      6.406645
  C      -2.603664      4.587231      7.117756
  C      -2.970790      5.196464      5.777186
  N      -3.942828      4.299175      5.172147
  H       0.198441      1.219213      5.849551
  H      -0.693839      0.660124      7.281566
  H      -0.550594      3.457924      6.039059
  H      -0.408553      3.013693      7.762942
  H      -3.395170      6.202447      5.904194
  H      -2.090514      5.268677      5.117890
  H      -3.441322      4.729088      7.810914
  H      -1.705013      5.042704      7.560602
  H      -4.915115      1.687828      8.799937
  H      -4.951299      3.335887      8.178266
  H      -2.588461      1.359797      8.146069
  H      -2.661678      2.879325      9.077047
  C      -2.320182     -0.086912      5.008384
  N      -3.515377      0.181220      4.444254
  C      -4.313224     -0.635380      3.677872
  O      -5.245125     -0.158923      3.027170
  C      -4.022927     -2.106408      3.652472
  C      -4.095127     -2.782267      2.426977
  C      -3.862034     -4.154441      2.372407
  C      -3.578056     -4.876298      3.535476
  C      -3.533882     -4.195831      4.750622
  Br     -3.180195     -5.166852      6.357302
  C      -3.745948     -2.820699      4.827387
  C      -5.165826      4.704316      4.825439
  N      -5.655497      5.898248      5.076374
  C      -6.923103      6.133705      4.547090
  O      -7.434397      5.502986      3.615309
  C      -7.662189      7.266900      5.195647
  C      -8.868790      7.706021      4.634866
  C      -9.587965      8.734936      5.237716
  C      -9.127629      9.327753      6.418580
  C      -7.934829      8.868142      6.972848
  Br     -7.316137      9.635108      8.617469
  C      -7.188299      7.858486      6.376511
  C      -6.120957      1.900723      6.321159
  N      -7.040697      2.491665      7.039379
  C      -8.324408      2.530537      6.501484
  O      -8.821553      1.656377      5.788506
  C      -9.077094      3.777086      6.860562
  C      -8.678176      4.599498      7.922728
  C      -9.396547      5.756586      8.220773
  C     -10.501130      6.122030      7.450033
  C     -10.874557      5.302551      6.383732
  Br    -12.354795      5.828351      5.291600
  C     -10.190666      4.131393      6.084981
  H      -1.787340     -1.046553      4.990850
  H      -4.339849     -2.218248      1.526917
  H      -3.906341     -4.678545      1.416702
  H      -3.403936     -5.951455      3.497793
  H      -3.737021     -2.318943      5.794823
  H      -5.794571      3.950076      4.317201
  H      -9.232555      7.215586      3.731362
  H     -10.527198      9.073722      4.797840
  H      -9.689359     10.127813      6.900541
  H      -6.253248      7.510902      6.811899
  H      -6.344078      1.486126      5.322246
  H      -7.804365      4.317296      8.508718
  H      -9.089493      6.396681      9.049121
  H     -11.056136      7.034294      7.664339
  H     -10.485254      3.494065      5.252417
  N      -2.252367      2.839358      3.642724
  N      -1.579112      3.056181      2.761870
73
Coordinates from ORCA-job orca E -13837.848752374886
  N      -1.885544      1.017274      5.593555
  Mo     -3.456419      2.290155      5.187780
  N      -4.822540      1.873137      6.674334
  C      -4.498408      2.355611      8.016103
  C      -2.988809      2.384692      8.148673
  N      -2.388600      3.103288      6.973756
  C      -0.934159      2.788918      6.835769
  C      -0.745016      1.325578      6.416557
  C      -2.594431      4.588891      7.126870
  C      -2.947188      5.203092      5.785217
  N      -3.916787      4.311730      5.170035
  H       0.202342      1.217224      5.865570
  H      -0.701949      0.653351      7.288467
  H      -0.541854      3.455697      6.057651
  H      -0.409923      3.004560      7.780718
  H      -3.370119      6.209884      5.910938
  H      -2.061989      5.274386      5.132702
  H      -3.437965      4.730984      7.812061
  H      -1.698769      5.038362      7.580623
  H      -4.927819      1.696399      8.787606
  H      -4.952970      3.348990      8.177265
  H      -2.599417      1.358786      8.145920
  H      -2.667554      2.876222      9.081815
  C      -2.318533     -0.081920      5.011010
  N      -3.512309      0.190245      4.445584
  C      -4.316050     -0.622516      3.681826
  O      -5.251008     -0.142071      3.037830
  C      -4.029502     -2.095213      3.651340
  C      -4.108961     -2.766357      2.423123
  C      -3.883267     -4.139521      2.362702
  C      -3.599765     -4.867073      3.522313
  C      -3.547667     -4.190880      4.740082
  Br     -3.193592     -5.170145      6.341615
  C      -3.752139     -2.814939      4.822633
  C      -5.137227      4.719315      4.819247
  N      -5.627374      5.913467      5.070635
  C      -6.892648      6.147670      4.536266
  O      -7.398032      5.515817      3.601853
  C      -7.640396      7.275550      5.185762
  C      -8.863315      7.687358      4.640031
  C      -9.592334      8.708175      5.244333
  C      -9.124344      9.322316      6.409583
  C      -7.912552      8.892907      6.946440
  Br     -7.280578      9.693293      8.568678
  C      -7.158331      7.888834      6.350529
  C      -6.126843      1.907212      6.318176
  N      -7.048478      2.479696      7.048698
  C      -8.337848      2.504393      6.524535
  O      -8.839186      1.617388      5.830083
  C      -9.093301      3.750748      6.878085
  C      -8.685029      4.592500      7.921598
  C      -9.403508      5.752132      8.207680
  C     -10.517883      6.100954      7.442530
  C     -10.901415      5.261082      6.396300
  Br    -12.395128      5.764092      5.311357
  C     -10.217890      4.086389      6.110688
  H      -1.791648     -1.045463      4.994807
  H      -4.353877     -2.197990      1.525813
  H      -3.933633     -4.659958      1.405265
  H      -3.431966     -5.942804      3.480034
  H      -3.737101     -2.316574      5.791967
  H      -5.762927      3.966553      4.305531
  H      -9.231108      7.181960      3.747254
  H     -10.545384      9.023218      4.818617
  H      -9.695051     10.113866      6.894987
  H      -6.210488      7.563187      6.773249
  H      -6.351927      1.496482      5.318157
  H      -7.803769      4.323405      8.501318
  H      -9.090100      6.406627      9.022225
  H     -11.070315      7.017725      7.644018
  H     -10.521546      3.431760      5.293775
  N      -2.240457      2.845990      3.641493
  N      -1.567325      3.059995      2.761102
73
Coordinates from ORCA-job orca E -13837.848840727651
  N      -1.880206      1.024005      5.588509
  Mo     -3.444795      2.302744      5.180845
  N      -4.817180      1.891908      6.658379
  C      -4.499988      2.370801      8.003306
  C      -2.991000      2.390999      8.144806
  N      -2.381414      3.108849      6.974661
  C      -0.927986      2.787992      6.841923
  C      -0.742749      1.325680      6.418446
  C      -2.580898      4.594942      7.129405
  C      -2.919644      5.213785      5.786898
  N      -3.887401      4.328181      5.160721
  H       0.207246      1.216758      5.871493
  H      -0.706725      0.649243      7.287766
  H      -0.529982      3.456288      6.067826
  H      -0.406877      2.998323      7.790210
  H      -3.341451      6.221522      5.911823
  H      -2.029050      5.285054      5.140955
  H      -3.430147      4.738556      7.807651
  H      -1.687466      5.038143      7.593888
  H      -4.937129      1.711789      8.770939
  H      -4.951021      3.366238      8.164525
  H      -2.607103      1.362984      8.140814
  H      -2.669811      2.878223      9.080250
  C      -2.318654     -0.073923      5.008617
  N      -3.509670      0.203517      4.440088
  C      -4.319195     -0.606245      3.680224
  O      -5.251744     -0.122087      3.035886
  C      -4.044318     -2.081513      3.657791
  C      -4.130620     -2.758111      2.433578
  C      -3.917497     -4.132789      2.380590
  C      -3.640555     -4.856236      3.543664
  C      -3.581445     -4.174142      4.757092
  Br     -3.235317     -5.147878      6.362701
  C      -3.773119     -2.796864      4.832160
  C      -5.105025      4.739752      4.803389
  N      -5.599020      5.930894      5.062007
  C      -6.860785      6.166388      4.519766
  O      -7.349725      5.551708      3.563464
  C      -7.625645      7.272306      5.188157
  C      -8.857076      7.668394      4.649167
  C      -9.605189      8.665287      5.269387
  C      -9.147353      9.270782      6.443833
  C      -7.924411      8.859004      6.973019
  Br     -7.302801      9.651906      8.606163
  C      -7.152564      7.878087      6.361546
  C      -6.122028      1.913789      6.301235
  N      -7.045527      2.474475      7.037789
  C      -8.337824      2.491883      6.518631
  O      -8.839007      1.600196      5.829367
  C      -9.094779      3.738151      6.871597
  C      -8.674309      4.597540      7.896967
  C      -9.389895      5.761107      8.172695
  C     -10.517256      6.093548      7.418200
  C     -10.914543      5.234740      6.392591
  Br    -12.427496      5.714480      5.323028
  C     -10.230507      4.058490      6.113897
  H      -1.797620     -1.040960      4.993358
  H      -4.370376     -2.192825      1.533535
  H      -3.972993     -4.657673      1.426507
  H      -3.483323     -5.933016      3.507258
  H      -3.752477     -2.293631      5.798081
  H      -5.724905      3.988782      4.278944
  H      -9.214645      7.171420      3.747279
  H     -10.565597      8.967695      4.849655
  H      -9.734299     10.040927      6.943311
  H      -6.198066      7.564267      6.779103
  H      -6.346567      1.500816      5.301076
  H      -7.783606      4.340334      8.467761
  H      -9.065420      6.430550      8.971604
  H     -11.066346      7.014204      7.609947
  H     -10.541690      3.390734      5.310394
  N      -2.220772      2.851717      3.634573
  N      -1.544571      3.063104      2.756032
73
Coordinates from ORCA-job orca E -13837.848906903628
  N      -1.875271      1.029568      5.590831
  Mo     -3.432145      2.315285      5.181202
  N      -4.810501      1.912239      6.651190
  C      -4.500436      2.389694      7.998500
  C      -2.992011      2.401221      8.149044
  N      -2.371999      3.115422      6.982192
  C      -0.919994      2.785659      6.854923
  C      -0.740360      1.323432      6.427866
  C      -2.562609      4.602883      7.135418
  C      -2.888179      5.224605      5.791226
  N      -3.855137      4.344358      5.155735
  H       0.212235      1.212408      5.884887
  H      -0.711960      0.643131      7.294965
  H      -0.514721      3.454279      6.084806
  H      -0.401688      2.990328      7.806622
  H      -3.308160      6.233751      5.914109
  H      -1.992684      5.294565      5.151367
  H      -3.415819      4.752081      7.807879
  H      -1.669859      5.038952      7.608144
  H      -4.946518      1.733442      8.763479
  H      -4.947189      3.387099      8.156621
  H      -2.615485      1.370938      8.145398
  H      -2.670174      2.884518      9.085650
  C      -2.321336     -0.067443      5.014726
  N      -3.508991      0.216761      4.442994
  C      -4.325899     -0.588029      3.686479
  O      -5.248716     -0.095702      3.035766
  C      -4.061660     -2.066327      3.662320
  C      -4.151203     -2.738498      2.434973
  C      -3.949667     -4.115554      2.377937
  C      -3.681573     -4.845662      3.540506
  C      -3.618846     -4.167658      4.756942
  Br     -3.284434     -5.151247      6.361257
  C      -3.798770     -2.788096      4.836007
  C      -5.068630      4.762009      4.788135
  N      -5.565617      5.952084      5.046509
  C      -6.822493      6.187023      4.491591
  O      -7.295458      5.580368      3.522530
  C      -7.603036      7.279024      5.165175
  C      -8.844987      7.650966      4.633057
  C      -9.608497      8.636178      5.254804
  C      -9.153936      9.254666      6.422436
  C      -7.918802      8.867696      6.943931
  Br     -7.296202      9.686459      8.561555
  C      -7.133431      7.897126      6.332751
  C      -6.113461      1.919270      6.291762
  N      -7.041786      2.465274      7.032276
  C      -8.334308      2.478049      6.508389
  O      -8.821230      1.596671      5.797741
  C      -9.103182      3.712319      6.880034
  C      -8.685281      4.567872      7.910303
  C      -9.411424      5.721880      8.200786
  C     -10.549196      6.047484      7.458877
  C     -10.944769      5.192244      6.429733
  Br    -12.475400      5.661653      5.380769
  C     -10.248291      4.026290      6.132945
  H      -1.806140     -1.037939      5.000586
  H      -4.384021     -2.167928      1.535271
  H      -4.007790     -4.637149      1.421191
  H      -3.534465     -5.924722      3.501148
  H      -3.775332     -2.287985      5.804217
  H      -5.681749      4.011471      4.254020
  H      -9.196597      7.147543      3.732966
  H     -10.577436      8.920851      4.841059
  H      -9.752263     10.016298      6.922316
  H      -6.170200      7.602325      6.744607
  H      -6.334681      1.503125      5.292693
  H      -7.787696      4.314692      8.472635
  H      -9.088202      6.388233      9.002693
  H     -11.106855      6.961097      7.663178
  H     -10.557193      3.360504      5.327510
  N      -2.195173      2.851925      3.637509
  N      -1.513974      3.058741      2.761091
73
Coordinates from ORCA-job orca E -13837.848972512766
  N      -1.870457      1.030611      5.585683
  Mo     -3.424084      2.320938      5.180360
  N      -4.806805      1.924585      6.648228
  C      -4.493748      2.397596      7.997377
  C      -2.985047      2.403029      8.147258
  N      -2.362564      3.116229      6.980897
  C      -0.911307      2.782386      6.853672
  C      -0.735324      1.319920      6.424424
  C      -2.549320      4.604210      7.135497
  C      -2.874023      5.229113      5.792271
  N      -3.841182      4.350351      5.154299
  H       0.217258      1.207010      5.882183
  H      -0.709240      0.638425      7.290379
  H      -0.503151      3.450508      6.084785
  H      -0.392486      2.983733      7.805590
  H      -3.292719      6.238318      5.917648
  H      -1.978608      5.300172      5.153070
  H      -3.401960      4.755753      7.807804
  H      -1.655737      5.037890      7.608469
  H      -4.943255      1.742497      8.761120
  H      -4.936273      3.396598      8.156637
  H      -2.613615      1.370609      8.142348
  H      -2.661670      2.883177      9.085114
  C      -2.322145     -0.065586      5.010868
  N      -3.509389      0.223164      4.440325
  C      -4.331169     -0.579146      3.686076
  O      -5.259936     -0.084611      3.042840
  C      -4.074321     -2.057970      3.664954
  C      -4.174236     -2.734587      2.441335
  C      -3.975429     -4.111940      2.388023
  C      -3.699463     -4.837664      3.550866
  C      -3.626286     -4.155244      4.763798
  Br     -3.280719     -5.132147      6.368728
  C      -3.803202     -2.775356      4.839085
  C      -5.053548      4.768655      4.786170
  N      -5.552532      5.956666      5.047059
  C      -6.806157      6.193100      4.485637
  O      -7.269334      5.595740      3.506479
  C      -7.596028      7.274327      5.165165
  C      -8.837924      7.643672      4.631642
  C      -9.609145      8.619585      5.259346
  C      -9.161699      9.231582      6.433821
  C      -7.927891      8.845945      6.957460
  Br     -7.317472      9.650894      8.587396
  C      -7.134911      7.884744      6.340902
  C      -6.110848      1.928232      6.293455
  N      -7.042706      2.468709      7.033737
  C      -8.333675      2.478799      6.504758
  O      -8.816109      1.594167      5.795318
  C      -9.108525      3.710185      6.873728
  C      -8.692315      4.571170      7.899881
  C      -9.423201      5.722894      8.188287
  C     -10.562812      6.041611      7.447200
  C     -10.956278      5.181859      6.420953
  Br    -12.488350      5.642957      5.371368
  C     -10.257000      4.016806      6.128384
  H      -1.811757     -1.038366      4.995626
  H      -4.412406     -2.167264      1.541365
  H      -4.041256     -4.636954      1.433834
  H      -3.553980     -5.916895      3.514389
  H      -3.770713     -2.271474      5.805014
  H      -5.665974      4.019721      4.249483
  H      -9.183833      7.144795      3.726537
  H     -10.577984      8.902295      4.844717
  H      -9.764742      9.987901      6.936464
  H      -6.172297      7.590993      6.754873
  H      -6.329142      1.516755      5.291458
  H      -7.792728      4.323277      8.461611
  H      -9.100434      6.394159      8.985968
  H     -11.125271      6.952062      7.651372
  H     -10.564997      3.346470      5.326808
  N      -2.182035      2.854422      3.639413
  N      -1.501326      3.059324      2.763654
73
Coordinates from ORCA-job orca E -13837.849014966339
  N      -1.868214      1.032876      5.581597
  Mo     -3.416633      2.330422      5.178642
  N      -4.799961      1.935240      6.644545
  C      -4.485766      2.403858      7.995460
  C      -2.977444      2.405082      8.145116
  N      -2.352879      3.118545      6.980032
  C      -0.902854      2.779163      6.852872
  C      -0.732681      1.316099      6.421972
  C      -2.534751      4.606869      7.137876
  C      -2.857123      5.236097      5.795675
  N      -3.824778      4.360650      5.153338
  H       0.219678      1.199370      5.880640
  H      -0.709903      0.634086      7.287198
  H      -0.490691      3.446461      6.085480
  H      -0.383589      2.976320      7.805120
  H      -3.272955      6.245944      5.923811
  H      -1.960710      5.307041      5.158095
  H      -3.386444      4.760713      7.811042
  H      -1.639457      5.037200      7.610967
  H      -4.937651      1.748791      8.757601
  H      -4.924928      3.404229      8.156626
  H      -2.609639      1.371026      8.138074
  H      -2.653612      2.881764      9.084713
  C      -2.325466     -0.061119      5.006932
  N      -3.510834      0.233291      4.435683
  C      -4.336506     -0.566700      3.682988
  O      -5.260649     -0.068998      3.036134
  C      -4.088707     -2.046239      3.667236
  C      -4.190369     -2.727338      2.446755
  C      -3.997715     -4.105727      2.399394
  C      -3.726054     -4.827811      3.565272
  C      -3.651924     -4.141107      4.775166
  Br     -3.313706     -5.112494      6.384822
  C      -3.822734     -2.760234      4.844523
  C      -5.035798      4.780788      4.782714
  N      -5.538000      5.966128      5.047298
  C      -6.788463      6.203708      4.478642
  O      -7.239061      5.617531      3.487569
  C      -7.590485      7.270466      5.164858
  C      -8.834763      7.632388      4.631927
  C      -9.615667      8.595949      5.265977
  C      -9.175155      9.203190      6.445998
  C      -7.940235      8.823779      6.969448
  Br     -7.342482      9.615314      8.610934
  C      -7.137470      7.875230      6.346916
  C      -6.103128      1.936119      6.289584
  N      -7.037564      2.472404      7.030909
  C      -8.328498      2.476080      6.501346
  O      -8.807880      1.585358      5.797228
  C      -9.108755      3.704765      6.866630
  C      -8.689936      4.573753      7.884065
  C      -9.424699      5.723127      8.170417
  C     -10.570000      6.031910      7.434676
  C     -10.965937      5.164607      6.415967
  Br    -12.504771      5.613521      5.371273
  C     -10.264142      4.001180      6.127547
  H      -1.818601     -1.035090      4.992252
  H      -4.425180     -2.162728      1.544495
  H      -4.064673     -4.634255      1.447523
  H      -3.584760     -5.907675      3.533503
  H      -3.790281     -2.253052      5.808442
  H      -5.645931      4.034266      4.239497
  H      -9.175510      7.135912      3.723352
  H     -10.586603      8.872304      4.852553
  H      -9.784908      9.951142      6.952576
  H      -6.173508      7.586257      6.761177
  H      -6.319350      1.527054      5.285628
  H      -7.785507      4.333845      8.441408
  H      -9.098910      6.401762      8.960219
  H     -11.136740      6.939164      7.638398
  H     -10.574189      3.324558      5.332304
  N      -2.168710      2.858719      3.640756
  N      -1.487042      3.063244      2.765338
73
Coordinates from ORCA-job orca E -13837.849040229621
  N      -1.866010      1.035338      5.577764
  Mo     -3.407933      2.341324      5.177035
  N      -4.792340      1.946513      6.639920
  C      -4.479823      2.410714      7.992501
  C      -2.972005      2.407030      8.143950
  N      -2.343302      3.120441      6.981156
  C      -0.894698      2.774480      6.855374
  C      -0.730865      1.311248      6.421284
  C      -2.519751      4.608868      7.142918
  C      -2.838105      5.243654      5.802001
  N      -3.804974      4.372347      5.153001
  H       0.222032      1.191017      5.881607
  H      -0.712809      0.627484      7.285145
  H      -0.477513      3.441489      6.090444
  H      -0.375803      2.966271      7.808911
  H      -3.251965      6.253933      5.933410
  H      -1.939753      5.315458      5.167046
  H      -3.371519      4.764357      7.815827
  H      -1.623276      5.035213      7.617753
  H      -4.935495      1.755481      8.752129
  H      -4.915798      3.412283      8.154595
  H      -2.608046      1.371721      8.135562
  H      -2.649079      2.880481      9.085402
  C      -2.329089     -0.055769      5.002577
  N      -3.512016      0.244999      4.429827
  C      -4.341954     -0.552427      3.678927
  O      -5.263747     -0.051430      3.030925
  C      -4.103210     -2.033178      3.668467
  C      -4.210720     -2.719169      2.451293
  C      -4.025454     -4.098752      2.409641
  C      -3.755442     -4.817095      3.578062
  C      -3.675838     -4.125584      4.784820
  Br     -3.339964     -5.091188      6.398281
  C      -3.839270     -2.743577      4.848408
  C      -5.014098      4.794503      4.778068
  N      -5.520242      5.977080      5.046818
  C      -6.766183      6.216843      4.468855
  O      -7.201904      5.642637      3.464654
  C      -7.582493      7.268409      5.160794
  C      -8.829054      7.620905      4.626065
  C      -9.620835      8.573794      5.262106
  C      -9.189153      9.179509      6.446284
  C      -7.952982      8.808116      6.972434
  Br     -7.368971      9.593731      8.621226
  C      -7.139137      7.870600      6.347811
  C      -6.094741      1.942363      6.283947
  N      -7.031574      2.472533      7.026763
  C      -8.322322      2.470545      6.497472
  O      -8.796866      1.579194      5.790426
  C      -9.108225      3.695537      6.862999
  C      -8.688048      4.569409      7.875522
  C      -9.427980      5.714782      8.164502
  C     -10.580178      6.014457      7.436103
  C     -10.977458      5.142711      6.421361
  Br    -12.525868      5.580119      5.385922
  C     -10.269999      3.983552      6.130637
  H      -1.826883     -1.032082      4.987875
  H      -4.444309     -2.157258      1.547084
  H      -4.096834     -4.631045      1.460262
  H      -3.619307     -5.897653      3.550763
  H      -3.802959     -2.232511      5.810125
  H      -5.621212      4.050986      4.226493
  H      -9.162296      7.125760      3.713895
  H     -10.593390      8.842943      4.847061
  H      -9.807080      9.919960      6.953946
  H      -6.173633      7.588543      6.763485
  H      -6.309071      1.535472      5.278919
  H      -7.778644      4.336344      8.427305
  H      -9.100975      6.397538      8.950344
  H     -11.152466      6.917594      7.642954
  H     -10.581245      3.302716      5.338883
  N      -2.154159      2.864411      3.640924
  N      -1.472637      3.069072      2.765694
73
Coordinates from ORCA-job orca E -13837.849055583136
  N      -1.864025      1.037070      5.575532
  Mo     -3.399749      2.350610      5.175945
  N      -4.786377      1.957281      6.636039
  C      -4.475419      2.416767      7.990050
  C      -2.967803      2.408740      8.143198
  N      -2.335285      3.122053      6.982347
  C      -0.887932      2.770345      6.858307
  C      -0.729655      1.306958      6.422052
  C      -2.507193      4.610622      7.146821
  C      -2.822528      5.249923      5.807005
  N      -3.787881      4.382065      5.152104
  H       0.223968      1.183421      5.884311
  H      -0.716288      0.621930      7.285085
  H      -0.466613      3.436916      6.095211
  H      -0.369648      2.958067      7.813118
  H      -3.235543      6.260262      5.941127
  H      -1.922506      5.322784      5.174457
  H      -3.358648      4.767280      7.819737
  H      -1.609571      5.033579      7.622438
  H      -4.934302      1.760745      8.746956
  H      -4.908711      3.419216      8.153772
  H      -2.606747      1.372638      8.133952
  H      -2.645599      2.880083      9.085917
  C      -2.332014     -0.051716      4.999905
  N      -3.512535      0.254253      4.425202
  C      -4.345441     -0.541501      3.675524
  O      -5.261980     -0.037969      3.022941
  C      -4.112728     -2.023544      3.668228
  C      -4.219210     -2.711512      2.451779
  C      -4.040801     -4.092374      2.413417
  C      -3.778933     -4.810233      3.584382
  C      -3.700666     -4.116813      4.790487
  Br     -3.376252     -5.081351      6.407631
  C      -3.857376     -2.733583      4.850732
  C      -4.995621      4.805130      4.773640
  N      -5.505236      5.985500      5.045852
  C      -6.748168      6.225688      4.461645
  O      -7.172387      5.659823      3.447933
  C      -7.575371      7.266725      5.156176
  C      -8.824809      7.608533      4.620793
  C      -9.625950      8.552931      5.257168
  C      -9.201060      9.161000      6.442469
  C      -7.962373      8.799837      6.969655
  Br     -7.388795      9.586994      8.620458
  C      -7.139092      7.870580      6.344666
  C      -6.088900      1.949301      6.280014
  N      -7.027088      2.474317      7.024168
  C      -8.317944      2.467573      6.496572
  O      -8.791384      1.573090      5.792119
  C      -9.108510      3.689099      6.863513
  C      -8.686557      4.567476      7.871478
  C      -9.430853      5.709362      8.163087
  C     -10.589546      6.000976      7.441640
  C     -10.988830      5.124806      6.431222
  Br    -12.546897      5.551457      5.405543
  C     -10.276413      3.969281      6.138156
  H      -1.833932     -1.030452      4.986773
  H      -4.446802     -2.149876      1.545580
  H      -4.111482     -4.626111      1.464588
  H      -3.647979     -5.891725      3.559666
  H      -3.823013     -2.221031      5.811889
  H      -5.600116      4.063932      4.215753
  H      -9.152297      7.111780      3.707446
  H     -10.600573      8.813576      4.841430
  H      -9.826435      9.894910      6.950527
  H      -6.171508      7.596431      6.760689
  H      -6.302312      1.546418      5.273741
  H      -7.772091      4.340918      8.417474
  H      -9.102963      6.395342      8.945860
  H     -11.165845      6.901310      7.650305
  H     -10.589343      3.284681      5.350043
  N      -2.140847      2.869228      3.641326
  N      -1.459630      3.074271      2.765979
73
Coordinates from ORCA-job orca E -13837.849066161387
  N      -1.862743      1.039408      5.569613
  Mo     -3.394075      2.359318      5.173139
  N      -4.781359      1.962033      6.629698
  C      -4.472598      2.414967      7.986056
  C      -2.965184      2.405174      8.141083
  N      -2.330400      3.121496      6.982983
  C      -0.883721      2.766572      6.859131
  C      -0.728847      1.304202      6.418248
  C      -2.499697      4.609814      7.152721
  C      -2.812768      5.255011      5.814991
  N      -3.776103      4.390792      5.153366
  H       0.225329      1.179834      5.881522
  H      -0.718348      0.616707      7.279400
  H      -0.460238      3.434825      6.098626
  H      -0.365819      2.949811      7.815083
  H      -3.225861      6.264892      5.953048
  H      -1.911045      5.330354      5.184848
  H      -3.350991      4.764958      7.826367
  H      -1.601198      5.029675      7.629717
  H      -4.932747      1.755481      8.739264
  H      -4.905084      3.417215      8.154173
  H      -2.604593      1.369066      8.129360
  H      -2.643938      2.873974      9.085419
  C      -2.334104     -0.046416      4.991708
  N      -3.512586      0.263807      4.415515
  C      -4.347059     -0.531633      3.666935
  O      -5.262106     -0.028003      3.012597
  C      -4.119364     -2.014677      3.666893
  C      -4.226285     -2.708441      2.453865
  C      -4.053904     -4.090027      2.423081
  C      -3.797758     -4.802969      3.598070
  C      -3.718895     -4.103621      4.800648
  Br     -3.401668     -5.060867      6.423259
  C      -3.869739     -2.719723      4.853302
  C      -4.983022      4.814179      4.772471
  N      -5.495190      5.992684      5.048552
  C      -6.736091      6.233668      4.460542
  O      -7.155867      5.669271      3.444292
  C      -7.568818      7.269399      5.155849
  C      -8.821179      7.602342      4.621302
  C      -9.627534      8.542575      5.256540
  C      -9.205185      9.155517      6.439903
  C      -7.963345      8.803319      6.966319
  Br     -7.393861      9.596933      8.614401
  C      -7.134905      7.877864      6.342376
  C      -6.084202      1.951444      6.273221
  N      -7.023583      2.470428      7.020584
  C      -8.315502      2.458461      6.497319
  O      -8.786846      1.563384      5.792529
  C      -9.108942      3.678592      6.862853
  C      -8.687631      4.560201      7.868383
  C      -9.435267      5.699756      8.160217
  C     -10.597125      5.985637      7.441578
  C     -10.996106      5.106059      6.433972
  Br    -12.559997      5.524192      5.413724
  C     -10.279650      3.953147      6.140334
  H      -1.838813     -1.026608      4.980006
  H      -4.449561     -2.150536      1.544445
  H      -4.125099     -4.628336      1.477036
  H      -3.671463     -5.884931      3.579257
  H      -3.835162     -2.202365      5.811731
  H      -5.584521      4.075423      4.207862
  H      -9.146129      7.102306      3.708991
  H     -10.604285      8.796155      4.841274
  H      -9.835096      9.885650      6.947673
  H      -6.165048      7.610262      6.757485
  H      -6.296464      1.553562      5.264309
  H      -7.770751      4.338440      8.412000
  H      -9.108665      6.387732      8.941759
  H     -11.176021      6.884515      7.649566
  H     -10.592737      3.265971      5.354479
  N      -2.132878      2.878919      3.639792
  N      -1.452910      3.087872      2.764089
73
Coordinates from ORCA-job orca E -13837.849077443894
  N      -1.862969      1.039706      5.567568
  Mo     -3.391973      2.362299      5.171620
  N      -4.780641      1.962488      6.626962
  C      -4.472827      2.413126      7.984152
  C      -2.965299      2.403078      8.140434
  N      -2.329695      3.120675      6.983376
  C      -0.883110      2.764931      6.859586
  C      -0.729073      1.303060      6.416664
  C      -2.498720      4.608846      7.155403
  C      -2.811374      5.256722      5.818784
  N      -3.772857      4.393401      5.153730
  H       0.225220      1.178874      5.880078
  H      -0.719162      0.614435      7.277024
  H      -0.459253      3.433992      6.100024
  H      -0.365396      2.946634      7.815964
  H      -3.225761      6.265810      5.958796
  H      -1.908934      5.334379      5.189945
  H      -3.350205      4.762616      7.829098
  H      -1.600175      5.027765      7.633099
  H      -4.933287      1.752222      8.735927
  H      -4.905452      3.415001      8.153795
  H      -2.604286      1.367156      8.128282
  H      -2.644730      2.871670      9.085118
  C      -2.335591     -0.045053      4.988497
  N      -3.512813      0.266711      4.410627
  C      -4.346957     -0.529740      3.662460
  O      -5.261055     -0.027371      3.005869
  C      -4.119546     -2.013244      3.665740
  C      -4.223678     -2.709317      2.453538
  C      -4.052714     -4.091239      2.425903
  C      -3.800677     -4.802279      3.603106
  C      -3.724056     -4.100503      4.804731
  Br     -3.411483     -5.055047      6.430025
  C      -3.873556     -2.716234      4.854281
  C      -4.979377      4.815834      4.770611
  N      -5.493686      5.993278      5.048042
  C      -6.733833      6.233587      4.458487
  O      -7.152052      5.669652      3.440942
  C      -7.567873      7.268581      5.153592
  C      -8.819662      7.600972      4.617388
  C      -9.628239      8.539219      5.252967
  C      -9.208583      9.150898      6.437944
  C      -7.966817      8.799883      6.965690
  Br     -7.401077      9.592790      8.615417
  C      -7.136452      7.875982      6.341588
  C      -6.083433      1.952343      6.269565
  N      -7.022731      2.470601      7.016893
  C      -8.314722      2.460131      6.494935
  O      -8.787804      1.565534      5.790466
  C      -9.108033      3.679631      6.863651
  C      -8.685056      4.561215      7.868944
  C      -9.432690      5.700314      8.162877
  C     -10.596640      5.985544      7.446992
  C     -10.997431      5.105904      6.440080
  Br    -12.564716      5.522608      5.424517
  C     -10.280650      3.953501      6.144131
  H      -1.842398     -1.026486      4.978179
  H      -4.443706     -2.152841      1.542239
  H      -4.121902     -4.631359      1.480522
  H      -3.675696     -5.884533      3.586731
  H      -3.840333     -2.196734      5.811864
  H      -5.578933      4.077594      4.203344
  H      -9.142248      7.102088      3.703665
  H     -10.604519      8.792154      4.836423
  H      -9.840411      9.879098      6.946202
  H      -6.167058      7.608655      6.757865
  H      -6.294724      1.557303      5.260005
  H      -7.766526      4.340124      8.410281
  H      -9.104926      6.388177      8.944265
  H     -11.175353      6.884404      7.655892
  H     -10.595243      3.266586      5.358718
  N      -2.130636      2.883289      3.638481
  N      -1.452692      3.095001      2.762141
73
Coordinates from ORCA-job orca E -13837.849089955109
  N      -1.862496      1.041733      5.560818
  Mo     -3.389698      2.366525      5.167495
  N      -4.779930      1.961461      6.620720
  C      -4.473311      2.407397      7.979728
  C      -2.965717      2.398336      8.137475
  N      -2.329819      3.119277      6.982258
  C      -0.882968      2.764100      6.857541
  C      -0.728422      1.303574      6.410257
  C      -2.499501      4.607131      7.158560
  C      -2.812035      5.259373      5.824102
  N      -3.770844      4.396988      5.154292
  H       0.225849      1.181512      5.873184
  H      -0.717901      0.612411      7.268655
  H      -0.459650      3.435557      6.099818
  H      -0.365326      2.943330      7.814440
  H      -3.228918      6.266953      5.967430
  H      -1.908961      5.341309      5.196928
  H      -3.351189      4.758122      7.832548
  H      -1.601162      5.024701      7.637632
  H      -4.933312      1.743212      8.728913
  H      -4.907104      3.407951      8.153117
  H      -2.603326      1.362896      8.123552
  H      -2.645719      2.865836      9.082847
  C      -2.336589     -0.041814      4.980239
  N      -3.512296      0.271336      4.400210
  C      -4.345536     -0.527778      3.653430
  O      -5.258018     -0.028736      2.992496
  C      -4.118938     -2.011678      3.664578
  C      -4.215419     -2.713059      2.454883
  C      -4.046238     -4.095295      2.434864
  C      -3.803699     -4.801269      3.617105
  C      -3.734416     -4.094045      4.815889
  Br     -3.434228     -5.041774      6.447464
  C      -3.882175     -2.709400      4.857977
  C      -4.977165      4.817812      4.769851
  N      -5.494267      5.993461      5.050223
  C      -6.735163      6.231649      4.461603
  O      -7.155470      5.665251      3.445917
  C      -7.567593      7.268757      5.156041
  C      -8.819002      7.601834      4.619573
  C      -9.627662      8.540026      5.255777
  C      -9.208084      9.151004      6.441066
  C      -7.965945      8.800152      6.968624
  Br     -7.399871      9.594216      8.617873
  C      -7.136035      7.875953      6.344200
  C      -6.083019      1.951535      6.263216
  N      -7.022996      2.466372      7.011592
  C      -8.315411      2.457409      6.491205
  O      -8.790504      1.562503      5.788698
  C      -9.108003      3.676890      6.862420
  C      -8.683336      4.558765      7.866968
  C      -9.429770      5.698659      8.161093
  C     -10.594473      5.984343      7.446482
  C     -10.997103      5.104263      6.440882
  Br    -12.565626      5.520870      5.427692
  C     -10.281561      3.950829      6.144491
  H      -1.845840     -1.024469      4.972604
  H      -4.427935     -2.160599      1.539400
  H      -4.109387     -4.639643      1.491497
  H      -3.680651     -5.883816      3.606679
  H      -3.854277     -2.185315      5.813167
  H      -5.573800      4.079866      4.199454
  H      -9.141072      7.103703      3.705287
  H     -10.603771      8.793476      4.839148
  H      -9.840023      9.878794      6.949932
  H      -6.166915      7.607947      6.760715
  H      -6.292338      1.561879      5.251427
  H      -7.764248      4.337411      8.407440
  H      -9.100502      6.386818      8.941557
  H     -11.171778      6.884314      7.654804
  H     -10.597555      3.264155      5.359563
  N      -2.129097      2.892405      3.635204
  N      -1.454686      3.110439      2.757935
73
Coordinates from ORCA-job orca E -13837.849097984748
  N      -1.862407      1.044207      5.553857
  Mo     -3.387814      2.371119      5.163743
  N      -4.778557      1.960240      6.615229
  C      -4.472877      2.402073      7.975937
  C      -2.965351      2.393592      8.134620
  N      -2.329395      3.117950      6.981462
  C      -0.882554      2.762914      6.855598
  C      -0.728073      1.303699      6.403783
  C      -2.499254      4.605376      7.162449
  C      -2.811124      5.262229      5.830106
  N      -3.768215      4.401251      5.155949
  H       0.225968      1.183578      5.865951
  H      -0.717000      0.609823      7.259972
  H      -0.459214      3.436660      6.099972
  H      -0.364914      2.939053      7.813025
  H      -3.229552      6.268646      5.976610
  H      -1.907564      5.347700      5.204297
  H      -3.351191      4.754023      7.836633
  H      -1.601111      5.021185      7.643393
  H      -4.932581      1.735156      8.722872
  H      -4.907638      3.401688      8.152530
  H      -2.602116      1.358346      8.118167
  H      -2.645532      2.859067      9.081077
  C      -2.338355     -0.038027      4.972059
  N      -3.512569      0.276922      4.390147
  C      -4.345957     -0.524706      3.645702
  O      -5.258223     -0.028624      2.982010
  C      -4.120685     -2.008909      3.664674
  C      -4.214418     -2.716266      2.458173
  C      -4.046894     -4.098887      2.445614
  C      -3.808666     -4.799041      3.632195
  C      -3.741789     -4.085722      4.827599
  Br     -3.446806     -5.025656      6.464566
  C      -3.887889     -2.700613      4.862370
  C      -4.974074      4.821616      4.770080
  N      -5.493681      5.995543      5.053121
  C      -6.735299      6.231794      4.464915
  O      -7.156802      5.663555      3.450703
  C      -7.567508      7.269337      5.159296
  C      -8.819001      7.602135      4.623143
  C      -9.628052      8.539649      5.260214
  C      -9.208472      9.150111      6.445746
  C      -7.965887      8.799938      6.972696
  Br     -7.399424      9.594278      8.622015
  C      -7.135911      7.876415      6.347634
  C      -6.081391      1.950365      6.256791
  N      -7.022389      2.461528      7.006022
  C      -8.314754      2.453736      6.485302
  O      -8.789838      1.559500      5.782170
  C      -9.106960      3.673052      6.858068
  C      -8.681070      4.555056      7.861818
  C      -9.426775      5.695317      8.156066
  C     -10.592071      5.981181      7.442485
  C     -10.996028      5.100815      6.437887
  Br    -12.565592      5.517103      5.426299
  C     -10.281298      3.946915      6.141222
  H      -1.850144     -1.021939      4.966654
  H      -4.423618     -2.168423      1.539078
  H      -4.107842     -4.648011      1.504759
  H      -3.687075     -5.881849      3.627576
  H      -3.861380     -2.171390      5.814947
  H      -5.567926      4.084127      4.196224
  H      -9.140917      7.104178      3.708696
  H     -10.604431      8.792814      4.844206
  H      -9.840572      9.877306      6.955232
  H      -6.166691      7.608626      6.763988
  H      -6.288811      1.564704      5.243132
  H      -7.761720      4.333352      8.401814
  H      -9.096144      6.383886      8.935473
  H     -11.168791      6.881373      7.651090
  H     -10.598203      3.260224      5.356826
  N      -2.127775      2.901609      3.632480
  N      -1.456308      3.126517      2.754529
73
Coordinates from ORCA-job orca E -13837.849108239850
  N      -1.861269      1.048882      5.541834
  Mo     -3.385253      2.377415      5.157410
  N      -4.775925      1.958643      6.606690
  C      -4.471470      2.394739      7.969704
  C      -2.964176      2.386926      8.129047
  N      -2.328369      3.116337      6.979050
  C      -0.881554      2.761924      6.851686
  C      -0.726881      1.304669      6.393089
  C      -2.498866      4.602873      7.166901
  C      -2.809766      5.266209      5.837574
  N      -3.764902      4.407091      5.157886
  H       0.226943      1.187643      5.854236
  H      -0.715131      0.606604      7.245803
  H      -0.457846      3.439035      6.099312
  H      -0.364000      2.933293      7.810014
  H      -3.230101      6.271127      5.988587
  H      -1.905775      5.356474      5.213221
  H      -3.351564      4.748206      7.840864
  H      -1.601474      5.016501      7.651080
  H      -4.931049      1.724236      8.713498
  H      -4.907563      3.393090      8.150291
  H      -2.600246      1.351892      8.108516
  H      -2.644753      2.848628      9.077475
  C      -2.339703     -0.031898      4.959152
  N      -3.512098      0.285129      4.374830
  C      -4.345922     -0.520239      3.634456
  O      -5.256165     -0.028308      2.965275
  C      -4.123514     -2.004618      3.665362
  C      -4.210758     -2.721095      2.464009
  C      -4.045845     -4.104109      2.463454
  C      -3.816940     -4.795207      3.657051
  C      -3.756777     -4.072759      4.847049
  Br     -3.474608     -5.000528      6.493036
  C      -3.900187     -2.687178      4.869985
  C      -4.970287      4.827222      4.771126
  N      -5.493093      5.998707      5.058300
  C      -6.735863      6.232908      4.471088
  O      -7.158854      5.663105      3.458427
  C      -7.568001      7.270335      5.166055
  C      -8.819494      7.603650      4.630413
  C      -9.628010      8.541417      5.268080
  C      -9.207685      9.151291      6.453708
  C      -7.965076      8.800509      6.980185
  Br     -7.396940      9.594647      8.629545
  C      -7.135739      7.877089      6.354566
  C      -6.078713      1.947883      6.247934
  N      -7.021607      2.452319      6.999180
  C      -8.313531      2.446234      6.476611
  O      -8.787412      1.553790      5.770504
  C      -9.105403      3.665361      6.850799
  C      -8.678875      4.546711      7.854606
  C      -9.423895      5.687288      8.149294
  C     -10.589077      5.974090      7.436079
  C     -10.993661      5.094338      6.431222
  Br    -12.562943      5.511725      5.419687
  C     -10.279739      3.940113      6.134001
  H      -1.855007     -1.017417      4.956181
  H      -4.412830     -2.180496      1.539190
  H      -4.101366     -4.660445      1.526670
  H      -3.697439     -5.878166      3.661771
  H      -3.878873     -2.150419      5.818277
  H      -5.561209      4.090539      4.192964
  H      -9.141908      7.105877      3.715958
  H     -10.604557      8.795181      4.852719
  H      -9.839045      9.878999      6.963380
  H      -6.166387      7.609153      6.770565
  H      -6.283965      1.567484      5.231727
  H      -7.759954      4.323741      8.394781
  H      -9.092253      6.375702      8.928337
  H     -11.165525      6.874107      7.645944
  H     -10.596903      3.253767      5.349304
  N      -2.126653      2.915219      3.627203
  N      -1.459664      3.150909      2.748938
73
Coordinates from ORCA-job orca E -13837.849117046919
  N      -1.859495      1.053817      5.530193
  Mo     -3.382742      2.383175      5.151468
  N      -4.772741      1.957524      6.599044
  C      -4.469543      2.388899      7.963875
  C      -2.962535      2.381095      8.123558
  N      -2.326601      3.114994      6.976701
  C      -0.880025      2.760686      6.848441
  C      -0.725607      1.305270      6.383576
  C      -2.497155      4.600632      7.170493
  C      -2.806836      5.269530      5.843638
  N      -3.761316      4.412707      5.159889
  H       0.228257      1.190720      5.844259
  H      -0.714188      0.603240      7.232946
  H      -0.455245      3.440782      6.099387
  H      -0.362906      2.927280      7.807845
  H      -3.227734      6.273633      5.998223
  H      -1.902664      5.362685      5.220063
  H      -3.350447      4.743508      7.844159
  H      -1.600394      5.012013      7.657682
  H      -4.929512      1.715711      8.704956
  H      -4.906425      3.386456      8.147315
  H      -2.598619      1.346154      8.098878
  H      -2.643322      2.838627      9.074039
  C      -2.340206     -0.025773      4.947141
  N      -3.511081      0.293209      4.360923
  C      -4.346492     -0.515474      3.625391
  O      -5.256537     -0.026797      2.953334
  C      -4.127219     -2.000092      3.667139
  C      -4.213314     -2.725428      2.471010
  C      -4.051690     -4.108966      2.481269
  C      -3.827383     -4.791479      3.680684
  C      -3.768493     -4.060149      4.865404
  Br     -3.492583     -4.976299      6.519004
  C      -3.908531     -2.673963      4.877586
  C      -4.966384      4.833661      4.773122
  N      -5.491168      6.003275      5.063957
  C      -6.735007      6.235980      4.477600
  O      -7.158014      5.666209      3.465185
  C      -7.568223      7.271951      5.173522
  C      -8.820381      7.604325      4.638958
  C      -9.629075      8.541360      5.277328
  C      -9.208293      9.151423      6.462804
  C      -7.965199      8.801384      6.988193
  Br     -7.395573      9.596104      8.637086
  C      -7.135507      7.878926      6.361867
  C      -6.075233      1.946109      6.239509
  N      -7.019750      2.444395      6.992591
  C      -8.310779      2.439350      6.466587
  O      -8.782293      1.548575      5.756974
  C      -9.103227      3.657646      6.841510
  C      -8.677925      4.537469      7.846759
  C      -9.423484      5.677471      8.142085
  C     -10.587716      5.965243      7.427884
  C     -10.991011      5.086942      6.421323
  Br    -12.558770      5.505989      5.407775
  C     -10.276710      3.933398      6.123501
  H      -1.858426     -1.012704      4.946243
  H      -4.412136     -2.191685      1.541451
  H      -4.106173     -4.672304      1.548556
  H      -3.710228     -5.874705      3.693792
  H      -3.888308     -2.129875      5.821837
  H      -5.555449      4.098063      4.191483
  H      -9.143449      7.106112      3.724885
  H     -10.606226      8.794534      4.862963
  H      -9.839545      9.878926      6.972833
  H      -6.165454      7.612147      6.776955
  H      -6.279440      1.569563      5.221593
  H      -7.759836      4.313399      8.387808
  H      -9.092613      6.364826      8.922215
  H     -11.164680      6.864514      7.639091
  H     -10.592499      3.247896      5.337596
  N      -2.124793      2.928149      3.622890
  N      -1.460648      3.174128      2.744916
73
Coordinates from ORCA-job orca E -13837.849125349807
  N      -1.856700      1.058598      5.517873
  Mo     -3.380294      2.387736      5.144731
  N      -4.769903      1.956518      6.590800
  C      -4.467632      2.384082      7.957072
  C      -2.960801      2.375800      8.116920
  N      -2.324629      3.113692      6.973011
  C      -0.878222      2.759607      6.844493
  C      -0.723918      1.305856      6.374099
  C      -2.495435      4.598385      7.171928
  C      -2.804059      5.271877      5.847071
  N      -3.758359      4.417188      5.160368
  H       0.230404      1.193233      5.835124
  H      -0.713718      0.600333      7.220536
  H      -0.452170      3.442306      6.098516
  H      -0.361775      2.921946      7.805025
  H      -3.224833      6.275582      6.004637
  H      -1.899763      5.366818      5.223857
  H      -3.349666      4.739042      7.844847
  H      -1.599547      5.008144      7.662039
  H      -4.928371      1.709029      8.695937
  H      -4.904784      3.381286      8.142367
  H      -2.597263      1.340867      8.088528
  H      -2.642108      2.829339      9.069486
  C      -2.339420     -0.020309      4.935276
  N      -3.509134      0.300180      4.347458
  C      -4.346495     -0.511766      3.617440
  O      -5.255205     -0.026200      2.941717
  C      -4.130101     -1.996422      3.669697
  C      -4.214160     -2.730655      2.478958
  C      -4.055697     -4.114471      2.500357
  C      -3.836819     -4.788275      3.705665
  C      -3.780171     -4.048077      4.884946
  Br     -3.511761     -4.952143      6.546461
  C      -3.916964     -2.661572      4.885976
  C      -4.963406      4.838933      4.774288
  N      -5.489264      6.007190      5.068350
  C      -6.733275      6.240402      4.482105
  O      -7.155246      5.672882      3.468145
  C      -7.568107      7.273317      5.180380
  C      -8.820151      7.606553      4.645988
  C      -9.629181      8.542033      5.285786
  C      -9.209155      9.149717      6.472962
  C      -7.966584      8.798355      6.998345
  Br     -7.397470      9.589235      8.649574
  C      -7.136130      7.877635      6.370417
  C      -6.072276      1.945071      6.230760
  N      -7.018004      2.438423      6.985557
  C      -8.307763      2.435392      6.455393
  O      -8.776400      1.548031      5.739612
  C      -9.101224      3.652287      6.832037
  C      -8.679169      4.528029      7.842120
  C      -9.426187      5.666437      8.140064
  C     -10.588396      5.956653      7.423673
  C     -10.988234      5.082582      6.411890
  Br    -12.552861      5.505796      5.394860
  C     -10.272507      3.930870      6.111457
  H      -1.860601     -1.008725      4.935777
  H      -4.408997     -2.203781      1.544667
  H      -4.108477     -4.684781      1.571861
  H      -3.721822     -5.871548      3.727401
  H      -3.898718     -2.110216      5.825994
  H      -5.551962      4.104650      4.190201
  H      -9.143084      7.110115      3.730840
  H     -10.606110      8.796027      4.871349
  H      -9.840565      9.876305      6.984007
  H      -6.166076      7.610510      6.785281
  H      -6.276137      1.571807      5.211356
  H      -7.762575      4.301901      8.384739
  H      -9.098035      6.350491      8.924260
  H     -11.166569      6.854475      7.637591
  H     -10.585416      3.248190      5.321868
  N      -2.123322      2.940581      3.617832
  N      -1.462016      3.196714      2.740737
73
Coordinates from ORCA-job orca E -13837.849135433456
  N      -1.851972      1.063989      5.503586
  Mo     -3.377417      2.391727      5.136393
  N      -4.766984      1.955085      6.580800
  C      -4.465938      2.379155      7.948317
  C      -2.959271      2.370351      8.108787
  N      -2.322485      3.112251      6.968022
  C      -0.876029      2.758747      6.839924
  C      -0.721234      1.306877      6.363858
  C      -2.493764      4.596014      7.171593
  C      -2.801593      5.273391      5.848441
  N      -3.756318      4.421097      5.159603
  H       0.234224      1.196120      5.826434
  H      -0.713436      0.597816      7.207322
  H      -0.448655      3.444331      6.097313
  H      -0.360804      2.917016      7.801829
  H      -3.221463      6.277103      6.008567
  H      -1.897164      5.368945      5.225333
  H      -3.348868      4.734478      7.843843
  H      -1.598680      5.004564      7.664136
  H      -4.927629      1.702395      8.684979
  H      -4.903094      3.376074      8.135141
  H      -2.596079      1.335522      8.076883
  H      -2.641515      2.820051      9.063432
  C      -2.336156     -0.014582      4.921752
  N      -3.504976      0.306837      4.332537
  C      -4.345021     -0.508737      3.609236
  O      -5.253775     -0.026461      2.931420
  C      -4.131985     -1.993474      3.673275
  C      -4.215848     -2.737832      2.488824
  C      -4.061661     -4.121934      2.522679
  C      -3.847567     -4.785985      3.734282
  C      -3.791250     -4.035672      4.907280
  Br     -3.529327     -4.926009      6.577402
  C      -3.923678     -2.648816      4.895766
  C      -4.961844      4.843788      4.775604
  N      -5.487725      6.011101      5.073237
  C      -6.731598      6.246190      4.487327
  O      -7.151943      5.682901      3.470400
  C      -7.567777      7.275532      5.188879
  C      -8.819406      7.610770      4.654503
  C      -9.628943      8.543832      5.296696
  C      -9.210242      9.147382      6.486605
  C      -7.968444      8.793709      7.011973
  Br     -7.400717      9.578404      8.666631
  C      -7.137049      7.875277      6.381582
  C      -6.069031      1.944549      6.219781
  N      -7.015650      2.434112      6.975995
  C      -8.304106      2.432622      6.441776
  O      -8.769995      1.548248      5.720492
  C      -9.099402      3.647315      6.820808
  C      -8.682987      4.516747      7.838730
  C      -9.432123      5.652965      8.139995
  C     -10.590454      5.947414      7.419126
  C     -10.984381      5.079879      6.399287
  Br    -12.542974      5.510171      5.375744
  C     -10.266710      3.930437      6.095654
  H      -1.859721     -1.004159      4.923842
  H      -4.407175     -2.218549      1.549526
  H      -4.114282     -4.700152      1.599068
  H      -3.735734     -5.869382      3.765692
  H      -3.905947     -2.089190      5.830923
  H      -5.551012      4.111279      4.189786
  H      -9.141856      7.117741      3.737340
  H     -10.605314      8.799411      4.881859
  H      -9.842138      9.872144      6.999601
  H      -6.167305      7.606812      6.796312
  H      -6.273222      1.574121      5.199584
  H      -7.768978      4.287664      8.384364
  H      -9.108900      6.331731      8.930849
  H     -11.169879      6.843857      7.635546
  H     -10.574900      3.252548      5.300087
  N      -2.121263      2.954560      3.612106
  N      -1.462409      3.221874      2.736439
73
Coordinates from ORCA-job orca E -13837.849146145945
  N      -1.845453      1.069615      5.486133
  Mo     -3.373836      2.395404      5.125287
  N      -4.764697      1.953295      6.567223
  C      -4.465101      2.373954      7.936021
  C      -2.958487      2.364478      8.097985
  N      -2.320518      3.110433      6.960610
  C      -0.873732      2.757867      6.833480
  C      -0.717752      1.308106      6.351663
  C      -2.492402      4.593381      7.168700
  C      -2.799605      5.274381      5.847189
  N      -3.754828      4.424680      5.156416
  H       0.239594      1.199118      5.817221
  H      -0.713572      0.595489      7.192173
  H      -0.445232      3.446626      6.094416
  H      -0.360176      2.912368      7.796917
  H      -3.218171      6.278267      6.009814
  H      -1.894898      5.370066      5.224355
  H      -3.348333      4.729500      7.840328
  H      -1.598019      5.000891      7.663285
  H      -4.927917      1.695562      8.670447
  H      -4.902016      3.370674      8.124390
  H      -2.595374      1.329786      8.062935
  H      -2.642148      2.810792      9.054680
  C      -2.331343     -0.008947      4.905686
  N      -3.499245      0.313228      4.314926
  C      -4.342932     -0.506911      3.600594
  O      -5.251783     -0.029172      2.920200
  C      -4.132960     -1.991542      3.678912
  C      -4.217019     -2.748307      2.502297
  C      -4.067330     -4.132441      2.551367
  C      -3.857744     -4.784269      3.770414
  C      -3.801042     -4.021518      4.935503
  Br     -3.544709     -4.894535      6.615759
  C      -3.928888     -2.634540      4.908690
  C      -4.961111      4.848115      4.775261
  N      -5.486362      6.014594      5.077198
  C      -6.729353      6.253731      4.491465
  O      -7.147782      5.697378      3.469870
  C      -7.566595      7.278069      5.198618
  C      -8.816421      7.618823      4.663237
  C      -9.626776      8.547594      5.310234
  C      -9.211104      9.141441      6.506196
  C      -7.971340      8.782074      7.032469
  Br     -7.407926      9.552573      8.695233
  C      -7.138817      7.867736      6.397252
  C      -6.066273      1.944931      6.204551
  N      -7.013603      2.432398      6.961331
  C      -8.300619      2.433179      6.423154
  O      -8.763532      1.553371      5.694411
  C      -9.098334      3.644613      6.806901
  C      -8.690066      4.503967      7.836870
  C      -9.441875      5.637026      8.143584
  C     -10.594460      5.938559      7.416375
  C     -10.979928      5.081429      6.384472
  Br    -12.529839      5.522698      5.352437
  C     -10.259742      3.935080      6.075383
  H      -1.857845     -1.000045      4.910102
  H      -4.404953     -2.238407      1.557112
  H      -4.120181     -4.720364      1.633863
  H      -3.749429     -5.867601      3.813685
  H      -3.910742     -2.064722      5.837763
  H      -5.551464      4.117850      4.187942
  H      -9.137021      7.133551      3.741349
  H     -10.601505      8.807306      4.894142
  H      -9.843917      9.862528      7.023168
  H      -6.170652      7.594832      6.812766
  H      -6.270399      1.577763      5.183119
  H      -7.780047      4.269998      8.387077
  H      -9.125684      6.307507      8.944385
  H     -11.175400      6.833162      7.636504
  H     -10.561499      3.265169      5.270664
  N      -2.118617      2.970803      3.604835
  N      -1.462063      3.251605      2.731750
73
Coordinates from ORCA-job orca E -13837.849157325803
  N      -1.837393      1.075161      5.467859
  Mo     -3.370289      2.397864      5.112734
  N      -4.762964      1.950652      6.552027
  C      -4.465195      2.368840      7.921852
  C      -2.958670      2.359341      8.086025
  N      -2.319486      3.108809      6.951652
  C      -0.871940      2.758185      6.825806
  C      -0.713408      1.310536      6.339114
  C      -2.492648      4.591201      7.163236
  C      -2.800168      5.274538      5.843028
  N      -3.755979      4.426765      5.151119
  H       0.246406      1.203536      5.808760
  H      -0.713179      0.594823      7.177033
  H      -0.443175      3.450157      6.089857
  H      -0.360289      2.910181      7.790646
  H      -3.217681      6.278564      6.007622
  H      -1.895244      5.370232      5.220412
  H      -3.348849      4.725055      7.835003
  H      -1.598562      4.998533      7.658492
  H      -4.928718      1.688901      8.654404
  H      -4.902154      3.365172      8.111609
  H      -2.594914      1.324938      8.048774
  H      -2.644047      2.803512      9.044267
  C      -2.324131     -0.003929      4.889041
  N      -3.491427      0.317841      4.296928
  C      -4.338889     -0.507232      3.592246
  O      -5.249036     -0.034516      2.910411
  C      -4.132159     -1.991625      3.685825
  C      -4.216981     -2.761304      2.517613
  C      -4.071866     -4.145274      2.582574
  C      -3.866390     -4.784154      3.809212
  C      -3.808823     -4.008466      4.965778
  Br     -3.557638     -4.863239      6.656327
  C      -3.931986     -2.621515      4.923018
  C      -4.963386      4.850885      4.773920
  N      -5.487200      6.016774      5.080729
  C      -6.729339      6.261274      4.496188
  O      -7.147097      5.712984      3.469817
  C      -7.565807      7.281459      5.210070
  C      -8.812423      7.631708      4.673188
  C      -9.622525      8.556338      5.326489
  C      -9.209984      9.136367      6.530221
  C      -7.973433      8.767572      7.057787
  Br     -7.415057      9.518392      8.730963
  C      -7.141167      7.857189      6.416403
  C      -6.063758      1.945018      6.186950
  N      -7.011897      2.432646      6.942901
  C      -8.297765      2.434918      6.402050
  O      -8.758352      1.559062      5.667031
  C      -9.098192      3.642580      6.791808
  C      -8.699561      4.489686      7.835884
  C      -9.453676      5.619681      8.148327
  C     -10.598550      5.930827      7.412891
  C     -10.974141      5.086202      6.367132
  Br    -12.512348      5.541625      5.324124
  C     -10.252024      3.942451      6.052333
  H      -1.852407     -0.995827      4.896422
  H      -4.401747     -2.261284      1.566499
  H      -4.125259     -4.743313      1.671618
  H      -3.761982     -5.867325      3.864948
  H      -3.912962     -2.041142      5.845559
  H      -5.555486      4.123009      4.185655
  H      -9.130850      7.157290      3.745006
  H     -10.594651      8.823204      4.908880
  H      -9.842979      9.853616      7.052329
  H      -6.175766      7.576497      6.833162
  H      -6.267156      1.580047      5.164892
  H      -7.795077      4.249076      8.392384
  H      -9.145515      6.280305      8.960469
  H     -11.180489      6.823976      7.636541
  H     -10.546439      3.282500      5.236743
  N      -2.115819      2.986729      3.596921
  N      -1.460810      3.281016      2.727201
73
Coordinates from ORCA-job orca E -13837.849165039110
  N      -1.831179      1.078659      5.454499
  Mo     -3.367467      2.399401      5.102657
  N      -4.762343      1.949493      6.539403
  C      -4.466354      2.366534      7.909918
  C      -2.959918      2.357069      8.076466
  N      -2.319378      3.108182      6.943855
  C      -0.871157      2.759022      6.819208
  C      -0.710355      1.312651      6.330205
  C      -2.493243      4.590524      7.157060
  C      -2.801267      5.274830      5.837572
  N      -3.757288      4.427983      5.144982
  H       0.251626      1.206825      5.803658
  H      -0.713352      0.595259      7.166729
  H      -0.442580      3.452860      6.084893
  H      -0.360903      2.910209      7.784890
  H      -3.218460      6.278808      6.003202
  H      -1.896181      5.370842      5.215342
  H      -3.349049      4.723283      7.829516
  H      -1.598876      4.997799      7.651823
  H      -4.930436      1.685716      8.641330
  H      -4.903452      3.362559      8.100518
  H      -2.595416      1.322851      8.038630
  H      -2.646666      2.800738      9.035415
  C      -2.318868     -0.001132      4.877519
  N      -3.485588      0.320088      4.284242
  C      -4.336394     -0.508771      3.587712
  O      -5.247624     -0.040192      2.904721
  C      -4.131639     -1.992839      3.692734
  C      -4.218420     -2.772138      2.530975
  C      -4.075814     -4.155787      2.607578
  C      -3.870958     -4.784651      3.839530
  C      -3.811223     -3.999305      4.989499
  Br     -3.560386     -4.840095      6.687126
  C      -3.931783     -2.612549      4.935114
  C      -4.965372      4.852843      4.770754
  N      -5.487906      6.018136      5.081916
  C      -6.729402      6.267540      4.498852
  O      -7.147533      5.726460      3.468728
  C      -7.564471      7.284301      5.219364
  C      -8.807496      7.644817      4.681097
  C      -9.616950      8.565662      5.340920
  C      -9.207297      9.130966      6.552436
  C      -7.974220      8.751987      7.081304
  Br     -7.421105      9.481703      8.765335
  C      -7.142809      7.845562      6.433485
  C      -6.062442      1.945347      6.171946
  N      -7.011456      2.434528      6.925944
  C      -8.296648      2.437234      6.384086
  O      -8.755417      1.564400      5.644356
  C      -9.099320      3.641723      6.779276
  C      -8.708256      4.478915      7.834228
  C      -9.463996      5.606524      8.151160
  C     -10.602676      5.925600      7.409384
  C     -10.970588      5.090993      6.353027
  Br    -12.499311      5.557611      5.301450
  C     -10.247144      3.949081      6.033638
  H      -1.848454     -0.993674      4.888153
  H      -4.402704     -2.279724      1.575758
  H      -4.130647     -4.761435      1.701676
  H      -3.768823     -5.867526      3.904447
  H      -3.910597     -2.024301      5.852700
  H      -5.558503      4.126895      4.181532
  H      -9.123611      7.181543      3.746579
  H     -10.586369      8.840403      4.922164
  H      -9.840085      9.844652      7.079694
  H      -6.180467      7.556321      6.851489
  H      -6.263994      1.581379      5.149088
  H      -7.808501      4.232645      8.395993
  H      -9.161754      6.259473      8.971713
  H     -11.185432      6.817490      7.635964
  H     -10.536010      3.297297      5.209569
  N      -2.112858      2.997121      3.590726
  N      -1.457932      3.300876      2.724290
73
Coordinates from ORCA-job orca E -13837.849169914531
  N      -1.827451      1.080344      5.448498
  Mo     -3.365854      2.399869      5.097175
  N      -4.761958      1.949619      6.532389
  C      -4.467456      2.367065      7.903104
  C      -2.961183      2.357962      8.071333
  N      -2.319852      3.109006      6.939085
  C      -0.871174      2.760936      6.815348
  C      -0.708609      1.314867      6.326618
  C      -2.494281      4.591575      7.152013
  C      -2.803071      5.275319      5.832536
  N      -3.759040      4.428090      5.139952
  H       0.254751      1.209625      5.802557
  H      -0.713205      0.597245      7.162942
  H      -0.443081      3.455141      6.081105
  H      -0.361613      2.912871      7.781245
  H      -3.220875      6.279027      5.998142
  H      -1.898035      5.372006      5.210458
  H      -3.349351      4.724280      7.825462
  H      -1.599394      4.999292      7.645549
  H      -4.931796      1.686078      8.634229
  H      -4.904988      3.362863      8.093665
  H      -2.596019      1.323843      8.034142
  H      -2.648748      2.802290      9.030271
  C      -2.315360     -0.000246      4.873091
  N      -3.481749      0.319937      4.278990
  C      -4.334466     -0.510795      3.586921
  O      -5.246704     -0.044126      2.903896
  C      -4.131291     -1.994720      3.697621
  C      -4.220290     -2.778457      2.539036
  C      -4.078833     -4.161977      2.620926
  C      -3.873030     -4.786078      3.855181
  C      -3.811254     -3.996308      5.001923
  Br     -3.559207     -4.830614      6.702579
  C      -3.930583     -2.609597      4.942276
  C      -4.967442      4.853795      4.767558
  N      -5.489064      6.018668      5.081726
  C      -6.730639      6.271060      4.500498
  O      -7.150295      5.734213      3.468785
  C      -7.563846      7.286373      5.225592
  C      -8.803972      7.655303      4.686667
  C      -9.611948      8.574435      5.351172
  C      -9.203552      9.128866      6.567925
  C      -7.973293      8.741499      7.097490
  Br     -7.423096      9.455560      8.788973
  C      -7.143560      7.837155      6.445030
  C      -6.061553      1.945005      6.163166
  N      -7.011484      2.435968      6.915003
  C      -8.296537      2.437585      6.373592
  O      -8.754450      1.565421      5.632472
  C      -9.100532      3.640420      6.771563
  C      -8.713359      4.472885      7.831573
  C      -9.469825      5.599462      8.150221
  C     -10.605071      5.922610      7.404877
  C     -10.969076      5.092693      6.343596
  Br    -12.492407      5.564738      5.286813
  C     -10.245198      3.951305      6.022507
  H      -1.844866     -0.992651      4.886286
  H      -4.405320     -2.289679      1.582116
  H      -4.135174     -4.771179      1.717506
  H      -3.771961     -5.868826      3.924308
  H      -3.907675     -2.017816      5.857512
  H      -5.561038      4.128969      4.177635
  H      -9.118899      7.199983      3.747855
  H     -10.579260      8.855864      4.932010
  H      -9.835310      9.840902      7.098713
  H      -6.183542      7.541090      6.863606
  H      -6.261054      1.579984      5.140359
  H      -7.816358      4.223600      8.396486
  H      -9.170282      6.248960      8.974479
  H     -11.188279      6.813870      7.632718
  H     -10.531376      3.303438      5.194417
  N      -2.110399      3.000472      3.587179
  N      -1.454903      3.307861      2.722502
73
Coordinates from ORCA-job orca E -13837.849172568773
  N      -1.825832      1.081391      5.445488
  Mo     -3.364594      2.400953      5.093946
  N      -4.761409      1.950962      6.527815
  C      -4.468257      2.368674      7.898784
  C      -2.962161      2.359621      8.068202
  N      -2.320057      3.110288      6.936139
  C      -0.871323      2.762333      6.813159
  C      -0.708173      1.316209      6.325063
  C      -2.494437      4.593021      7.148727
  C      -2.803286      5.276544      5.829213
  N      -3.758977      4.428965      5.136220
  H       0.255920      1.211157      5.802326
  H      -0.713633      0.598568      7.161351
  H      -0.443103      3.456262      6.078742
  H      -0.362111      2.914691      7.779163
  H      -3.221918      6.279898      5.994729
  H      -1.898307      5.374103      5.207313
  H      -3.349069      4.726058      7.822654
  H      -1.599243      5.000663      7.641797
  H      -4.933169      1.687688      8.629551
  H      -4.906175      3.364377      8.089043
  H      -2.596853      1.325482      8.031582
  H      -2.650278      2.804228      9.027212
  C      -2.314484      0.000318      4.871556
  N      -3.480228      0.320175      4.276299
  C      -4.334246     -0.511630      3.587160
  O      -5.246647     -0.046033      2.903568
  C      -4.132179     -1.995423      3.701194
  C      -4.223231     -2.781695      2.544536
  C      -4.082345     -4.165130      2.629359
  C      -3.875051     -4.786390      3.864792
  C      -3.811328     -3.994089      5.009599
  Br     -3.557281     -4.824609      6.711750
  C      -3.930047     -2.607423      4.947028
  C      -4.967359      4.855583      4.764706
  N      -5.488726      6.019825      5.081406
  C      -6.730889      6.273509      4.501989
  O      -7.152078      5.739022      3.469756
  C      -7.562984      7.287610      5.230351
  C      -8.801536      7.661771      4.691686
  C      -9.608188      8.579879      5.359408
  C      -9.200041      9.127498      6.579239
  C      -7.971439      8.734754      7.108674
  Br     -7.422283      9.438742      8.804641
  C      -7.142979      7.831850      6.452895
  C      -6.060775      1.944568      6.157435
  N      -7.011567      2.435689      6.908041
  C      -8.296482      2.436185      6.366773
  O      -8.753503      1.564122      5.624969
  C      -9.101342      3.638201      6.765670
  C      -8.715909      4.469122      7.827330
  C      -9.473090      5.595030      8.146486
  C     -10.607121      5.919228      7.399774
  C     -10.969360      5.090804      6.336786
  Br    -12.490817      5.564099      5.277757
  C     -10.244916      3.949871      6.015203
  H      -1.844453     -0.992294      4.887065
  H      -4.409494     -2.295150      1.586737
  H      -4.140184     -4.776402      1.727449
  H      -3.774292     -5.869012      3.936223
  H      -3.905622     -2.013644      5.860912
  H      -5.560818      4.131604      4.173726
  H      -9.116197      7.211263      3.750437
  H     -10.574326      8.865715      4.940498
  H      -9.830785      9.838670      7.112412
  H      -6.184101      7.531739      6.871233
  H      -6.258527      1.578496      5.134511
  H      -7.819944      4.218940      8.393484
  H      -9.174595      6.243496      8.971885
  H     -11.190985      6.809833      7.628360
  H     -10.529907      3.303170      5.185778
  N      -2.108222      3.001611      3.584555
  N      -1.451594      3.310888      2.721442
73
Coordinates from ORCA-job orca E -13837.849174303918
  N      -1.825398      1.081266      5.446896
  Mo     -3.364741      2.400001      5.093450
  N      -4.761412      1.951895      6.527376
  C      -4.468900      2.371735      7.897875
  C      -2.962908      2.363097      8.067561
  N      -2.320734      3.112264      6.934594
  C      -0.871978      2.764549      6.812391
  C      -0.708251      1.317737      6.326674
  C      -2.495395      4.595259      7.144984
  C      -2.804863      5.276702      5.824586
  N      -3.760863      4.427809      5.133108
  H       0.256080      1.212445      5.804396
  H      -0.713620      0.601189      7.163871
  H      -0.443833      3.457287      6.076815
  H      -0.362837      2.918589      7.778161
  H      -3.224087      6.280012      5.988755
  H      -1.900353      5.373986      5.202002
  H      -3.349659      4.729278      7.819193
  H      -1.600055      5.003720      7.637133
  H      -4.934114      1.691782      8.629393
  H      -4.907179      3.367633      8.086420
  H      -2.597551      1.328928      8.032325
  H      -2.651204      2.808784      9.026130
  C      -2.313692     -0.000735      4.874500
  N      -3.479363      0.318000      4.278628
  C      -4.333621     -0.513923      3.590085
  O      -5.246270     -0.048053      2.906873
  C      -4.131680     -1.997705      3.703464
  C      -4.224496     -2.783260      2.546509
  C      -4.083231     -4.166750      2.630223
  C      -3.873815     -4.788706      3.864963
  C      -3.808552     -3.997168      5.010145
  Br     -3.551916     -4.828742      6.711418
  C      -3.927652     -2.610446      4.948642
  C      -4.969547      4.855021      4.762817
  N      -5.489922      6.019445      5.080323
  C      -6.733017      6.273802      4.503066
  O      -7.156431      5.739933      3.471496
  C      -7.563332      7.288138      5.233312
  C      -8.800593      7.666906      4.695054
  C      -9.605077      8.585496      5.364706
  C      -9.196230      9.128732      6.586293
  C      -7.969114      8.731211      7.115387
  Br     -7.419295      9.428586      8.813862
  C      -7.142564      7.828107      6.457530
  C      -6.060696      1.943956      6.156451
  N      -7.011857      2.436297      6.905862
  C      -8.296536      2.436122      6.364025
  O      -8.752906      1.563965      5.621915
  C      -9.101722      3.638074      6.762416
  C      -8.717638      4.468325      7.824956
  C      -9.475387      5.593904      8.143905
  C     -10.608419      5.918554      7.395916
  C     -10.969238      5.090785      6.331944
  Br    -12.489376      5.564585      5.271004
  C     -10.244373      3.950124      6.010633
  H      -1.843001     -0.993005      4.891363
  H      -4.412438     -2.296226      1.589309
  H      -4.142409     -4.777480      1.728066
  H      -3.772569     -5.871357      3.935513
  H      -3.902295     -2.017405      5.862930
  H      -5.563749      4.131103      4.172580
  H      -9.115995      7.219460      3.752554
  H     -10.570139      8.875300      4.946065
  H      -9.825320      9.840267      7.120922
  H      -6.184560      7.524643      6.875444
  H      -6.257655      1.575332      5.134241
  H      -7.822397      4.217724      8.392050
  H      -9.177858      6.241826      8.970052
  H     -11.192734      6.808781      7.624688
  H     -10.528351      3.303784      5.180585
  N      -2.107478      2.998555      3.583750
  N      -1.450582      3.306263      2.720215
73
Coordinates from ORCA-job orca E -13837.849175399742
  N      -1.824620      1.082354      5.444889
  Mo     -3.363614      2.401293      5.091197
  N      -4.760520      1.953317      6.524187
  C      -4.468967      2.373378      7.894863
  C      -2.963090      2.364621      8.065242
  N      -2.320300      3.113599      6.932538
  C      -0.871693      2.765444      6.811167
  C      -0.708134      1.318518      6.325628
  C      -2.494849      4.596548      7.142670
  C      -2.803949      5.277901      5.822100
  N      -3.759923      4.428941      5.130394
  H       0.256477      1.213194      5.803826
  H      -0.714048      0.601872      7.162718
  H      -0.442790      3.457831      6.075697
  H      -0.362908      2.919298      7.777163
  H      -3.223449      6.281120      5.986093
  H      -1.899484      5.375264      5.199448
  H      -3.349352      4.730813      7.816534
  H      -1.599706      5.004924      7.635251
  H      -4.934960      1.693631      8.626045
  H      -4.907367      3.369396      8.082698
  H      -2.597981      1.330385      8.030250
  H      -2.651919      2.810093      9.024084
  C      -2.313733      0.000039      4.873844
  N      -3.478661      0.318845      4.276569
  C      -4.333605     -0.513892      3.589863
  O      -5.246083     -0.048669      2.905969
  C      -4.132600     -1.997560      3.705722
  C      -4.225966     -2.784966      2.550108
  C      -4.085664     -4.168400      2.636102
  C      -3.876677     -4.788466      3.871844
  C      -3.810914     -3.995104      5.015715
  Br     -3.554814     -4.824042      6.718350
  C      -3.929072     -2.608425      4.951889
  C      -4.968901      4.856567      4.761256
  N      -5.489085      6.020559      5.080643
  C      -6.732955      6.275305      4.505080
  O      -7.157522      5.742493      3.473469
  C      -7.562652      7.288707      5.237328
  C      -8.799488      7.670001      4.699847
  C      -9.602895      8.588072      5.371327
  C      -9.193679      9.128237      6.594233
  C      -7.967229      8.727986      7.122581
  Br     -7.416867      9.420632      8.822818
  C      -7.141427      7.825518      6.462760
  C      -6.059759      1.943663      6.152769
  N      -7.011439      2.434878      6.902204
  C      -8.295835      2.434159      6.359538
  O      -8.751241      1.562075      5.616747
  C      -9.101852      3.635556      6.757695
  C      -8.719392      4.464928      7.821489
  C      -9.478143      5.589775      8.140749
  C     -10.610395      5.914625      7.391749
  C     -10.969506      5.087791      6.326415
  Br    -12.488503      5.562203      5.263963
  C     -10.243750      3.947875      6.004865
  H      -1.844075     -0.992703      4.892633
  H      -4.413608     -2.299452      1.592089
  H      -4.145318     -4.780570      1.734982
  H      -3.775989     -5.871042      3.944127
  H      -3.903543     -2.013968      5.865231
  H      -5.563417      4.133286      4.170579
  H      -9.115441      7.224868      3.756416
  H     -10.567452      8.880163      4.953107
  H      -9.821972      9.839374      7.130326
  H      -6.183664      7.520320      6.879970
  H      -6.256178      1.574293      5.130740
  H      -7.824558      4.214221      8.389123
  H      -9.181991      6.236854      8.968058
  H     -11.195355      6.804320      7.620927
  H     -10.526414      3.302063      5.173921
  N      -2.106167      2.999878      3.581219
  N      -1.448357      3.309485      2.719112
73
Coordinates from ORCA-job orca E -13837.849175949315
  N      -1.824976      1.081732      5.446983
  Mo     -3.364046      2.400143      5.091535
  N      -4.760925      1.954027      6.524943
  C      -4.469376      2.376023      7.895053
  C      -2.963479      2.367396      8.065429
  N      -2.320596      3.114944      6.931824
  C      -0.872025      2.766530      6.811128
  C      -0.708511      1.318960      6.327436
  C      -2.495136      4.598121      7.139826
  C      -2.804530      5.277510      5.818303
  N      -3.761109      4.427760      5.128319
  H       0.256046      1.212988      5.805638
  H      -0.714349      0.603387      7.165448
  H      -0.442909      3.457893      6.074815
  H      -0.363334      2.921602      7.776983
  H      -3.223703      6.281082      5.980935
  H      -1.900363      5.373550      5.194996
  H      -3.349648      4.733332      7.813470
  H      -1.600035      5.007215      7.631848
  H      -4.935612      1.697426      8.627121
  H      -4.907648      3.372413      8.081244
  H      -2.598538      1.333087      8.031676
  H      -2.652353      2.813899      9.023800
  C      -2.313863     -0.001240      4.877023
  N      -3.478815      0.316979      4.279404
  C      -4.333604     -0.515601      3.592411
  O      -5.246178     -0.049994      2.908906
  C      -4.131893     -1.999270      3.706680
  C      -4.225661     -2.785401      2.550196
  C      -4.084681     -4.168840      2.634462
  C      -3.874536     -4.790311      3.869307
  C      -3.808301     -3.998246      5.014085
  Br     -3.550578     -4.829025      6.715591
  C      -3.927189     -2.611577      4.951947
  C      -4.970640      4.855252      4.760522
  N      -5.489833      6.019730      5.079770
  C      -6.734214      6.274906      4.505505
  O      -7.159982      5.742223      3.474316
  C      -7.562745      7.288642      5.238529
  C      -8.799085      7.672091      4.701336
  C      -9.601294      8.590494      5.373642
  C      -9.191604      9.128937      6.597232
  C      -7.965785      8.726462      7.125226
  Br     -7.414648      9.416516      8.826297
  C      -7.140959      7.823636      6.464511
  C      -6.060209      1.943837      6.153604
  N      -7.011748      2.435948      6.902668
  C      -8.295982      2.435079      6.359225
  O      -8.750975      1.562971      5.616244
  C      -9.102290      3.636445      6.756681
  C      -8.721062      4.465215      7.821446
  C      -9.480287      5.589795      8.140568
  C     -10.611703      5.915021      7.390474
  C     -10.969520      5.088854      6.324162
  Br    -12.487350      5.564046      5.260349
  C     -10.243357      3.949225      6.002792
  H      -1.844099     -0.993947      4.896622
  H      -4.414130     -2.298790      1.592883
  H      -4.144762     -4.779967      1.732654
  H      -3.773268     -5.872913      3.940221
  H      -3.901358     -2.018242      5.866031
  H      -5.566239      4.131768      4.171298
  H      -9.115681      7.228380      3.757454
  H     -10.565329      8.884396      4.955498
  H      -9.819053      9.840248      7.134064
  H      -6.183590      7.516879      6.881473
  H      -6.256911      1.572904      5.132148
  H      -7.826708      4.214319      8.389740
  H      -9.185292      6.236219      8.968814
  H     -11.196838      6.804655      7.619457
  H     -10.524984      3.303838      5.171193
  N      -2.106304      2.997193      3.581068
  N      -1.448675      3.305329      2.718258
73
Coordinates from ORCA-job orca E -13837.849176469390
  N      -1.825019      1.081508      5.447956
  Mo     -3.363830      2.399731      5.091058
  N      -4.760932      1.954956      6.524633
  C      -4.469478      2.378525      7.894304
  C      -2.963573      2.369911      8.064958
  N      -2.320374      3.116242      6.930701
  C      -0.871841      2.767354      6.810725
  C      -0.708575      1.319294      6.328285
  C      -2.494778      4.599625      7.136996
  C      -2.804229      5.277474      5.814666
  N      -3.761367      4.427313      5.125974
  H       0.255958      1.212635      5.806578
  H      -0.714590      0.604527      7.166993
  H      -0.442321      3.457985      6.073957
  H      -0.363394      2.923170      7.776587
  H      -3.222823      6.281457      5.976225
  H      -1.900156      5.372100      5.190978
  H      -3.349420      4.735612      7.810330
  H      -1.599735      5.009284      7.628637
  H      -4.935974      1.700893      8.627084
  H      -4.907508      3.375268      8.079146
  H      -2.598783      1.335521      8.032311
  H      -2.652612      2.817370      9.022931
  C      -2.314045     -0.001928      4.879000
  N      -3.478779      0.316074      4.280757
  C      -4.333461     -0.516577      3.593705
  O      -5.246085     -0.050921      2.910315
  C      -4.131577     -2.000244      3.707681
  C      -4.224538     -2.785981      2.550827
  C      -4.083562     -4.169418      2.634653
  C      -3.874205     -4.791443      3.869358
  C      -3.808717     -3.999799      5.014493
  Br     -3.552002     -4.831228      6.715862
  C      -3.927647     -2.613123      4.952785
  C      -4.971585      4.854396      4.759721
  N      -5.490077      6.019173      5.079168
  C      -6.734801      6.274880      4.505976
  O      -7.161370      5.742707      3.474811
  C      -7.562470      7.288519      5.240039
  C      -8.798361      7.673876      4.703068
  C      -9.599880      8.592027      5.376484
  C      -9.190115      9.128417      6.601005
  C      -7.964806      8.724044      7.128657
  Br     -7.413407      9.411172      8.830866
  C      -7.140558      7.821382      6.466844
  C      -6.060212      1.944285      6.153362
  N      -7.011746      2.436763      6.902249
  C      -8.295878      2.435540      6.358180
  O      -8.750324      1.563414      5.614915
  C      -9.102785      3.636532      6.755374
  C      -8.723006      4.464425      7.821445
  C      -9.482777      5.588628      8.140628
  C     -10.613242      5.914429      7.389317
  C     -10.969578      5.089214      6.321748
  Br    -12.485965      5.565528      5.256456
  C     -10.242936      3.949902      6.000369
  H      -1.844790     -0.994835      4.899833
  H      -4.412318     -2.298918      1.593605
  H      -4.143086     -4.780166      1.732544
  H      -3.773027     -5.874077      3.939927
  H      -3.902439     -2.020185      5.867144
  H      -5.568187      4.130814      4.171709
  H      -9.115245      7.231951      3.758460
  H     -10.563464      8.887417      4.958387
  H      -9.817112      9.839402      7.138793
  H      -6.183606      7.513187      6.883667
  H      -6.257171      1.572378      5.132362
  H      -7.829238      4.213236      8.390545
  H      -9.189100      6.234216      8.970016
  H     -11.198588      6.803992      7.618111
  H     -10.523384      3.305208      5.167852
  N      -2.106001      2.996072      3.580263
  N      -1.448334      3.303982      2.717397
