73
Coordinates from ORCA-job orca E -13783.550980046819
  N      -2.147667      1.056993      5.586687
  Mo     -3.711266      2.326173      5.095560
  N      -4.639283      1.478547      6.841454
  C      -4.401971      2.299328      8.013617
  C      -2.899719      2.515478      8.116270
  N      -2.432424      3.169508      6.873879
  C      -1.011307      2.837628      6.642438
  C      -0.897486      1.358224      6.227201
  C      -2.614021      4.630836      6.993600
  C      -3.182745      5.177654      5.687494
  N      -4.238395      4.279281      5.253031
  H      -0.054487      1.218223      5.538888
  H      -0.737005      0.701282      7.091623
  H      -0.641475      3.472936      5.832610
  H      -0.421272      3.034660      7.544967
  H      -3.586177      6.186787      5.826357
  H      -2.409397      5.209037      4.907806
  H      -3.339046      4.840072      7.784399
  H      -1.672486      5.127090      7.246233
  H      -4.769238      1.766982      8.898472
  H      -4.950882      3.248650      7.927527
  H      -2.429618      1.534715      8.217642
  H      -2.640494      3.118968      8.991829
  C      -2.478362     -0.004552      4.932698
  N      -3.661200      0.189142      4.344470
  C      -4.352146     -0.703785      3.606034
  O      -5.194050     -0.301119      2.790686
  C      -4.099526     -2.154621      3.806070
  C      -4.155427     -3.020643      2.715782
  C      -3.935312     -4.375083      2.894639
  C      -3.673913     -4.883141      4.157038
  C      -3.646652     -4.016497      5.238101
  Br     -3.304822     -4.693255      6.985180
  C      -3.855896     -2.658242      5.082155
  C      -5.420889      4.801852      5.036623
  N      -5.796108      6.022470      5.334913
  C      -7.014306      6.378216      4.834595
  O      -7.505363      5.857684      3.827587
  C      -7.703709      7.459260      5.574614
  C      -8.816875      8.082629      5.015896
  C      -9.506879      9.048195      5.726612
  C      -9.098761      9.398542      7.003467
  C      -7.987771      8.773410      7.546309
  Br     -7.420764      9.235123      9.300542
  C      -7.282084      7.811507      6.852703
  C      -5.746528      1.660138      6.170653
  N      -6.651644      2.593686      6.492465
  C      -7.706305      2.788798      5.701190
  O      -7.856469      2.284536      4.559325
  C      -8.691025      3.765180      6.234097
  C      -8.624999      4.220727      7.547915
  C      -9.517612      5.175875      7.998544
  C     -10.474419      5.698207      7.143841
  C     -10.528464      5.238684      5.838127
  Br    -11.826636      5.958232      4.658989
  C      -9.658327      4.274202      5.373650
  H      -1.847598     -0.888005      4.791024
  H      -4.365801     -2.612701      1.739083
  H      -3.969846     -5.041610      2.047650
  H      -3.501919     -5.938036      4.302290
  H      -3.861220     -2.002168      5.941004
  H      -6.179066      4.164456      4.601155
  H      -9.124485      7.793784      4.021699
  H     -10.370615      9.523970      5.289409
  H      -9.634904     10.144915      7.568873
  H      -6.419128      7.324589      7.278521
  H      -6.051835      0.826522      5.520946
  H      -7.867635      3.810737      8.196962
  H      -9.470918      5.520774      9.019759
  H     -11.170960      6.449547      7.480961
  H      -9.692524      3.919589      4.352917
  N      -2.743337      2.743538      3.244663
  H      -2.280276      2.943207      2.359187
73
Coordinates from ORCA-job orca E -13783.585594986771
  N      -2.105432      1.053387      5.593711
  Mo     -3.665257      2.331079      5.095600
  N      -4.598815      1.497169      6.841305
  C      -4.356054      2.316474      8.026166
  C      -2.858498      2.523370      8.122901
  N      -2.385584      3.179609      6.871080
  C      -0.960239      2.839674      6.634214
  C      -0.852988      1.360543      6.232327
  C      -2.563125      4.654010      6.978872
  C      -3.120526      5.194422      5.671953
  N      -4.186725      4.296211      5.243588
  H      -0.007503      1.215376      5.543425
  H      -0.693528      0.708962      7.105031
  H      -0.592531      3.472257      5.817608
  H      -0.367277      3.045153      7.537801
  H      -3.517742      6.209611      5.801635
  H      -2.342616      5.212105      4.891039
  H      -3.289081      4.868956      7.771532
  H      -1.613652      5.143150      7.234516
  H      -4.723035      1.782936      8.916690
  H      -4.900390      3.271110      7.951005
  H      -2.385075      1.539669      8.218701
  H      -2.588339      3.128645      8.999608
  C      -2.454142     -0.015481      4.940021
  N      -3.641061      0.192150      4.354368
  C      -4.360529     -0.700821      3.609556
  O      -5.205814     -0.304028      2.800047
  C      -4.116429     -2.161471      3.812698
  C      -4.190099     -3.025366      2.714934
  C      -3.984785     -4.389611      2.888185
  C      -3.721241     -4.911237      4.153957
  C      -3.675807     -4.045485      5.242364
  Br     -3.334237     -4.738925      6.986870
  C      -3.868832     -2.677156      5.091657
  C      -5.389531      4.811090      5.004469
  N      -5.770466      6.036424      5.291958
  C      -6.997838      6.412014      4.776051
  O      -7.498993      5.923583      3.753421
  C      -7.702408      7.477268      5.544371
  C      -8.817754      8.108181      4.985258
  C      -9.529499      9.051746      5.717024
  C      -9.142796      9.371840      7.017423
  C      -8.028233      8.739147      7.561067
  Br     -7.493400      9.156731      9.344928
  C      -7.299469      7.800647      6.845025
  C      -5.736850      1.677416      6.162759
  N      -6.647631      2.601843      6.494109
  C      -7.721853      2.806503      5.689134
  O      -7.866829      2.327623      4.541968
  C      -8.725342      3.773376      6.236399
  C      -8.685796      4.201853      7.568914
  C      -9.602028      5.141138      8.030446
  C     -10.557324      5.675717      7.169061
  C     -10.582871      5.245733      5.844290
  Br    -11.873814      5.985654      4.656006
  C      -9.686972      4.300083      5.368048
  H      -1.831065     -0.909247      4.801216
  H      -4.405005     -2.607981      1.733742
  H      -4.033281     -5.058410      2.031414
  H      -3.561529     -5.977541      4.294578
  H      -3.861016     -2.021344      5.959592
  H      -6.133699      4.151866      4.548561
  H      -9.114024      7.839196      3.973910
  H     -10.400087      9.535311      5.278673
  H      -9.700090     10.101042      7.600679
  H      -6.432816      7.305594      7.273445
  H      -6.034882      0.851966      5.493502
  H      -7.928709      3.783316      8.226764
  H      -9.574612      5.467089      9.068644
  H     -11.271484      6.418649      7.516168
  H      -9.690982      3.977073      4.330319
  N      -2.744350      2.724657      3.341220
  H      -2.270853      2.904222      2.451673
73
Coordinates from ORCA-job orca E -13783.611331228562
  N      -2.079706      1.047713      5.592084
  Mo     -3.638935      2.333643      5.092245
  N      -4.573503      1.509021      6.840233
  C      -4.328239      2.329784      8.030516
  C      -2.834111      2.532693      8.121986
  N      -2.358277      3.188006      6.863481
  C      -0.930586      2.842008      6.622425
  C      -0.826774      1.362709      6.228824
  C      -2.534639      4.670820      6.965157
  C      -3.090056      5.209236      5.660955
  N      -4.160689      4.311847      5.237884
  H       0.019910      1.216162      5.539351
  H      -0.666297      0.714961      7.105947
  H      -0.565757      3.473387      5.802160
  H      -0.336086      3.053326      7.525743
  H      -3.485084      6.226940      5.788392
  H      -2.312857      5.222006      4.876663
  H      -3.258758      4.884985      7.761537
  H      -1.580151      5.154054      7.222200
  H      -4.693015      1.797244      8.925215
  H      -4.872346      3.286065      7.960599
  H      -2.356165      1.549297      8.214062
  H      -2.556315      3.140828      8.996960
  C      -2.442448     -0.024374      4.937183
  N      -3.631234      0.196039      4.356886
  C      -4.371817     -0.696502      3.607810
  O      -5.218046     -0.306223      2.805571
  C      -4.128691     -2.162255      3.817020
  C      -4.214214     -3.026349      2.716320
  C      -4.013406     -4.395191      2.887544
  C      -3.742753     -4.922537      4.155072
  C      -3.685367     -4.055379      5.246009
  Br     -3.335549     -4.755831      6.988049
  C      -3.873144     -2.682052      5.097057
  C      -5.380447      4.815555      4.991632
  N      -5.761349      6.038988      5.280237
  C      -7.000685      6.416718      4.767609
  O      -7.515231      5.943533      3.744973
  C      -7.706021      7.477143      5.554295
  C      -8.828680      8.108920      5.003391
  C      -9.542761      9.046115      5.748378
  C      -9.152451      9.359147      7.054810
  C      -8.030497      8.724219      7.590038
  Br     -7.492129      9.130530      9.380805
  C      -7.298554      7.792729      6.860340
  C      -5.737310      1.689704      6.162962
  N      -6.645899      2.605674      6.499998
  C      -7.731816      2.802646      5.677472
  O      -7.868731      2.323108      4.538485
  C      -8.743685      3.772439      6.218386
  C      -8.716708      4.208842      7.552991
  C      -9.643862      5.149184      8.003999
  C     -10.598129      5.677031      7.129911
  C     -10.609609      5.239123      5.803008
  Br    -11.897778      5.970694      4.597897
  C      -9.702427      4.293694      5.336821
  H      -1.825538     -0.924315      4.798566
  H      -4.435533     -2.606172      1.734055
  H      -4.071026     -5.065878      2.027919
  H      -3.587068     -5.993110      4.293633
  H      -3.856017     -2.025990      5.968281
  H      -6.111875      4.136432      4.531713
  H      -9.129783      7.845352      3.988914
  H     -10.420325      9.531885      5.317111
  H      -9.712395     10.083525      7.647908
  H      -6.425981      7.296444      7.283201
  H      -6.029221      0.869378      5.483738
  H      -7.960825      3.797083      8.222131
  H      -9.626366      5.482691      9.043979
  H     -11.320003      6.420710      7.469538
  H      -9.692978      3.967323      4.297470
  N      -2.784676      2.698629      3.458157
  H      -2.303694      2.851715      2.567304
73
Coordinates from ORCA-job orca E -13783.622007674008
  N      -2.057700      1.036338      5.589154
  Mo     -3.610140      2.338971      5.084247
  N      -4.562647      1.521245      6.832197
  C      -4.317836      2.339898      8.026988
  C      -2.824212      2.538206      8.119739
  N      -2.338949      3.194524      6.860161
  C      -0.910285      2.839871      6.618231
  C      -0.808021      1.358251      6.230044
  C      -2.513720      4.683140      6.958186
  C      -3.062290      5.224570      5.653522
  N      -4.136125      4.333954      5.229698
  H       0.043098      1.210832      5.545073
  H      -0.650409      0.714109      7.110895
  H      -0.545918      3.471434      5.797404
  H      -0.317243      3.055074      7.522170
  H      -3.452871      6.244845      5.779509
  H      -2.282337      5.233319      4.870434
  H      -3.238691      4.893188      7.755273
  H      -1.555861      5.157030      7.223630
  H      -4.684331      1.808175      8.922570
  H      -4.859737      3.298467      7.963100
  H      -2.343077      1.555552      8.207740
  H      -2.540208      3.146904      8.993405
  C      -2.433656     -0.033227      4.930862
  N      -3.621127      0.203166      4.354641
  C      -4.378187     -0.684527      3.602400
  O      -5.222129     -0.293497      2.805147
  C      -4.137502     -2.153809      3.816740
  C      -4.230922     -3.016588      2.714530
  C      -4.037706     -4.387423      2.883992
  C      -3.767668     -4.919066      4.151456
  C      -3.702114     -4.052171      5.243156
  Br     -3.354724     -4.759371      6.983688
  C      -3.881026     -2.676487      5.095852
  C      -5.361226      4.831212      4.971687
  N      -5.740029      6.054363      5.256572
  C      -6.980603      6.429691      4.734997
  O      -7.492022      5.965582      3.708888
  C      -7.697585      7.480500      5.531336
  C      -8.823070      8.107801      4.979517
  C      -9.549262      9.032751      5.729707
  C      -9.170290      9.337452      7.042875
  C      -8.045782      8.705477      7.578369
  Br     -7.524138      9.098683      9.380327
  C      -7.300406      7.787709      6.843352
  C      -5.745141      1.704556      6.163064
  N      -6.649459      2.611104      6.513961
  C      -7.741556      2.806379      5.679054
  O      -7.870353      2.335075      4.541673
  C      -8.757102      3.770018      6.229642
  C      -8.740221      4.187650      7.570985
  C      -9.675437      5.117636      8.029933
  C     -10.627908      5.653886      7.157160
  C     -10.626408      5.235894      5.822934
  Br    -11.910295      5.984450      4.617992
  C      -9.710590      4.302931      5.347560
  H      -1.825718     -0.940141      4.793982
  H      -4.453829     -2.594547      1.732537
  H      -4.101227     -5.058364      2.023682
  H      -3.618992     -5.991577      4.288481
  H      -3.857942     -2.021626      5.968746
  H      -6.074126      4.138795      4.500447
  H      -9.118481      7.848838      3.961496
  H     -10.429729      9.516020      5.298878
  H      -9.740396     10.051712      7.639938
  H      -6.426047      7.294272      7.267837
  H      -6.027007      0.895350      5.466932
  H      -7.986202      3.770903      8.240423
  H      -9.665715      5.438333      9.075011
  H     -11.354857      6.390442      7.503598
  H      -9.686373      3.998132      4.301411
  N      -2.812687      2.678000      3.569463
  H      -2.318690      2.797273      2.680919
73
Coordinates from ORCA-job orca E -13783.626303945572
  N      -2.040568      1.031863      5.584087
  Mo     -3.583391      2.345998      5.070307
  N      -4.569891      1.528307      6.810474
  C      -4.323467      2.335336      8.011521
  C      -2.827771      2.529927      8.110631
  N      -2.334290      3.198966      6.859669
  C      -0.904834      2.845307      6.614467
  C      -0.796098      1.360358      6.231282
  C      -2.518284      4.686558      6.961945
  C      -3.057479      5.231871      5.653845
  N      -4.129058      4.344830      5.220678
  H       0.061743      1.212741      5.554911
  H      -0.642701      0.721224      7.116185
  H      -0.546092      3.477858      5.792133
  H      -0.311069      3.067436      7.515922
  H      -3.447167      6.252566      5.779247
  H      -2.270807      5.241803      4.877499
  H      -3.251104      4.883551      7.754734
  H      -1.564855      5.159586      7.243632
  H      -4.694119      1.799230      8.902441
  H      -4.861014      3.297104      7.959916
  H      -2.344304      1.547999      8.189568
  H      -2.541219      3.131653      8.987998
  C      -2.422087     -0.034257      4.923503
  N      -3.614830      0.206128      4.359109
  C      -4.381953     -0.679904      3.617348
  O      -5.233187     -0.286714      2.828631
  C      -4.138595     -2.148905      3.830907
  C      -4.240054     -3.010869      2.729622
  C      -4.054462     -4.381757      2.898576
  C      -3.786687     -4.914474      4.164740
  C      -3.712360     -4.048015      5.255154
  Br     -3.371518     -4.758012      6.995672
  C      -3.880600     -2.672019      5.108015
  C      -5.345982      4.843561      4.943516
  N      -5.722589      6.067586      5.228272
  C      -6.952799      6.451879      4.695810
  O      -7.440521      6.020242      3.645329
  C      -7.683601      7.481770      5.507447
  C      -8.799424      8.123503      4.954383
  C      -9.534772      9.031289      5.714765
  C      -9.177680      9.301542      7.040318
  C      -8.066451      8.650763      7.578256
  Br     -7.578871      8.990989      9.400843
  C      -7.309167      7.753383      6.832534
  C      -5.754652      1.718598      6.152818
  N      -6.652326      2.622403      6.522922
  C      -7.746467      2.818892      5.692087
  O      -7.884188      2.337934      4.559396
  C      -8.758203      3.782363      6.247085
  C      -8.743292      4.191326      7.589605
  C      -9.687541      5.107012      8.055189
  C     -10.648604      5.635400      7.188606
  C     -10.642306      5.228520      5.852387
  Br    -11.938139      5.969314      4.654549
  C      -9.714040      4.314447      5.368456
  H      -1.821268     -0.946278      4.791195
  H      -4.466814     -2.588786      1.749427
  H      -4.123829     -5.052351      2.039575
  H      -3.646597     -5.987258      4.301817
  H      -3.851981     -2.017871      5.980485
  H      -6.045391      4.153895      4.450191
  H      -9.082390      7.886337      3.928327
  H     -10.406484      9.527285      5.282775
  H      -9.754311     10.003087      7.644877
  H      -6.443855      7.247400      7.258950
  H      -6.030102      0.934985      5.426321
  H      -7.982856      3.781248      8.254512
  H      -9.677607      5.424238      9.100385
  H     -11.383557      6.359620      7.540995
  H      -9.680002      4.026498      4.318127
  N      -2.780453      2.688209      3.551064
  H      -2.279887      2.791269      2.663231
73
Coordinates from ORCA-job orca E -13783.630910063259
  N      -2.016254      1.019215      5.582755
  Mo     -3.548251      2.346730      5.056380
  N      -4.578050      1.539902      6.796782
  C      -4.330796      2.346005      7.995279
  C      -2.834284      2.540355      8.100142
  N      -2.331830      3.209874      6.852351
  C      -0.901926      2.854768      6.607091
  C      -0.781086      1.365418      6.236898
  C      -2.527407      4.696690      6.945480
  C      -3.066615      5.237753      5.633543
  N      -4.137088      4.350939      5.199349
  H       0.086160      1.219622      5.572409
  H      -0.629337      0.737428      7.129605
  H      -0.548720      3.484887      5.780809
  H      -0.308692      3.089356      7.505716
  H      -3.456880      6.258323      5.758403
  H      -2.277094      5.249877      4.860239
  H      -3.265002      4.883070      7.736018
  H      -1.577896      5.170557      7.238276
  H      -4.704003      1.814344      8.887426
  H      -4.865483      3.309538      7.948281
  H      -2.345537      1.561831      8.179473
  H      -2.545596      3.145121      8.974520
  C      -2.405922     -0.042997      4.921966
  N      -3.599877      0.207033      4.364016
  C      -4.376602     -0.673675      3.629302
  O      -5.234379     -0.274601      2.850309
  C      -4.136639     -2.142749      3.844332
  C      -4.247552     -3.004787      2.744961
  C      -4.071215     -4.375492      2.915105
  C      -3.805387     -4.907681      4.180371
  C      -3.721392     -4.040537      5.268270
  Br     -3.384915     -4.751305      7.009177
  C      -3.878277     -2.664583      5.119869
  C      -5.352155      4.842129      4.919365
  N      -5.729374      6.065615      5.207519
  C      -6.964816      6.450040      4.698883
  O      -7.462710      6.031100      3.649551
  C      -7.687987      7.466144      5.536988
  C      -8.814330      8.111633      5.011861
  C      -9.531882      9.015208      5.792032
  C      -9.149034      9.275782      7.110990
  C      -8.033229      8.614690      7.622575
  Br     -7.515320      8.933337      9.441297
  C      -7.291296      7.723823      6.856648
  C      -5.771979      1.721823      6.163623
  N      -6.670268      2.616527      6.545594
  C      -7.763210      2.792801      5.707700
  O      -7.899851      2.284004      4.586784
  C      -8.766819      3.778827      6.232014
  C      -8.756410      4.220440      7.562138
  C      -9.701378      5.146874      7.999796
  C     -10.658355      5.652902      7.117267
  C     -10.644585      5.215492      5.792652
  Br    -11.935927      5.927831      4.571674
  C      -9.715657      4.290984      5.335178
  H      -1.814538     -0.961641      4.796923
  H      -4.476334     -2.583656      1.765775
  H      -4.146815     -5.046950      2.058525
  H      -3.674277     -5.980513      4.318695
  H      -3.841938     -2.010057      5.990988
  H      -6.043485      4.142612      4.428339
  H      -9.118653      7.881487      3.990946
  H     -10.408845      9.517851      5.381144
  H      -9.708488      9.977674      7.729914
  H      -6.419778      7.213720      7.262935
  H      -6.024345      0.964099      5.403599
  H      -7.998843      3.828743      8.239777
  H      -9.694735      5.492002      9.035141
  H     -11.396031      6.382277      7.449208
  H      -9.676209      3.979143      4.292023
  N      -2.736181      2.687984      3.537416
  H      -2.223279      2.754508      2.652811
73
Coordinates from ORCA-job orca E -13783.634760083163
  N      -1.983821      1.000689      5.594230
  Mo     -3.495149      2.348806      5.051489
  N      -4.580100      1.554642      6.786123
  C      -4.331006      2.356854      7.984558
  C      -2.834920      2.544633      8.099772
  N      -2.319551      3.212169      6.856597
  C      -0.889425      2.851763      6.620341
  C      -0.760780      1.358926      6.262585
  C      -2.523118      4.698709      6.942089
  C      -3.059730      5.238571      5.627236
  N      -4.130142      4.354992      5.184859
  H       0.118319      1.213514      5.613834
  H      -0.617258      0.739861      7.162732
  H      -0.533129      3.477571      5.792334
  H      -0.300313      3.093675      7.519921
  H      -3.448434      6.259593      5.754030
  H      -2.265908      5.253535      4.858986
  H      -3.267246      4.878174      7.727953
  H      -1.577867      5.173568      7.246014
  H      -4.710744      1.830105      8.876641
  H      -4.859458      3.323995      7.939509
  H      -2.346515      1.566407      8.181958
  H      -2.547290      3.150443      8.973552
  C      -2.382911     -0.053212      4.927812
  N      -3.572068      0.216381      4.366372
  C      -4.358730     -0.649828      3.627292
  O      -5.209525     -0.233941      2.849317
  C      -4.137236     -2.122310      3.835274
  C      -4.250192     -2.975929      2.729921
  C      -4.093809     -4.349333      2.893375
  C      -3.847434     -4.891997      4.157463
  C      -3.761817     -4.032642      5.250775
  Br     -3.453187     -4.758288      6.990593
  C      -3.897952     -2.654275      5.109399
  C      -5.343187      4.839960      4.897265
  N      -5.726485      6.063238      5.177016
  C      -6.959586      6.440006      4.666618
  O      -7.450658      6.020298      3.614497
  C      -7.690884      7.452165      5.503763
  C      -8.819520      8.090991      4.976458
  C      -9.541117      8.993682      5.752892
  C      -9.161108      9.259429      7.071115
  C      -8.044737      8.602564      7.584906
  Br     -7.532944      8.923636      9.405301
  C      -7.297755      7.713878      6.822709
  C      -5.782175      1.732116      6.180749
  N      -6.681890      2.613985      6.580301
  C      -7.776472      2.791922      5.741366
  O      -7.925583      2.272060      4.627345
  C      -8.777032      3.777148      6.270167
  C      -8.762510      4.213104      7.601103
  C      -9.708136      5.134560      8.045831
  C     -10.669407      5.641187      7.169534
  C     -10.657737      5.210968      5.843415
  Br    -11.952466      5.930265      4.629534
  C      -9.729124      4.291441      5.378112
  H      -1.804707     -0.980660      4.809941
  H      -4.465453     -2.546846      1.751695
  H      -4.169924     -5.014970      2.033049
  H      -3.732906     -5.966846      4.290618
  H      -3.860704     -2.006027      5.984621
  H      -6.024966      4.130631      4.408232
  H      -9.123037      7.855551      3.956885
  H     -10.418941      9.492382      5.340260
  H      -9.722050      9.961905      7.686916
  H      -6.425261      7.208507      7.231442
  H      -6.009917      1.004133      5.385302
  H      -8.001494      3.821900      8.274205
  H      -9.697936      5.476783      9.081530
  H     -11.408044      6.366096      7.507337
  H      -9.691359      3.986999      4.333315
  N      -2.663438      2.689281      3.543692
  H      -2.134071      2.714271      2.667220
73
Coordinates from ORCA-job orca E -13783.637981794254
  N      -1.950054      0.985093      5.608174
  Mo     -3.442570      2.348813      5.051159
  N      -4.579251      1.565357      6.778083
  C      -4.326511      2.363036      7.978969
  C      -2.831362      2.545959      8.101031
  N      -2.308464      3.212073      6.860560
  C      -0.876334      2.851621      6.634217
  C      -0.738579      1.355071      6.290026
  C      -2.524620      4.698250      6.938596
  C      -3.064818      5.233436      5.622388
  N      -4.132297      4.347183      5.174342
  H       0.151374      1.210553      5.655787
  H      -0.602382      0.744316      7.197055
  H      -0.517265      3.471763      5.803170
  H      -0.290857      3.101703      7.534207
  H      -3.456070      6.253433      5.752058
  H      -2.269639      5.254360      4.855985
  H      -3.273946      4.871461      7.720988
  H      -1.585420      5.181593      7.247267
  H      -4.710082      1.839275      8.871231
  H      -4.851425      3.332392      7.935556
  H      -2.343770      1.567450      8.186617
  H      -2.546517      3.152484      8.975185
  C      -2.355892     -0.060912      4.934160
  N      -3.541137      0.226268      4.369273
  C      -4.337055     -0.625291      3.623544
  O      -5.182128     -0.192524      2.848287
  C      -4.134425     -2.101237      3.821151
  C      -4.250013     -2.945523      2.708848
  C      -4.112638     -4.322043      2.864009
  C      -3.883630     -4.876449      4.126425
  C      -3.795395     -4.025894      5.226424
  Br     -3.511218     -4.767277      6.963724
  C      -3.912034     -2.644745      5.093592
  C      -5.347082      4.823967      4.885487
  N      -5.738180      6.046223      5.158656
  C      -6.973742      6.415005      4.651964
  O      -7.466335      5.991271      3.601327
  C      -7.704036      7.432498      5.483824
  C      -8.833571      8.067567      4.953962
  C      -9.549630      8.981479      5.722311
  C      -9.163720      9.261756      7.036002
  C      -8.048505      8.605792      7.553528
  Br     -7.530794      8.943413      9.369406
  C      -7.306184      7.706702      6.798876
  C      -5.791649      1.732030      6.201195
  N      -6.700040      2.592714      6.618953
  C      -7.804039      2.762786      5.787420
  O      -7.964847      2.234386      4.680018
  C      -8.790564      3.766393      6.307598
  C      -8.764527      4.219625      7.632622
  C      -9.701417      5.153257      8.071292
  C     -10.665211      5.654469      7.194629
  C     -10.664213      5.207305      5.873917
  Br    -11.963485      5.917807      4.659702
  C      -9.744534      4.275912      5.414453
  H      -1.789032     -0.995901      4.821752
  H      -4.452813     -2.507332      1.732027
  H      -4.190261     -4.980999      1.998735
  H      -3.784656     -5.953633      4.253036
  H      -3.872903     -2.003203      5.973647
  H      -6.024425      4.105168      4.404406
  H      -9.141643      7.821074      3.938430
  H     -10.427010      9.478678      5.307027
  H      -9.718504      9.974917      7.644924
  H      -6.433283      7.204001      7.210068
  H      -5.995418      1.033301      5.372667
  H      -8.001953      3.832281      8.306018
  H      -9.682381      5.509100      9.102261
  H     -11.398799      6.386454      7.528235
  H      -9.716864      3.956835      4.373761
  N      -2.591300      2.692476      3.556893
  H      -2.049195      2.680895      2.688078
73
Coordinates from ORCA-job orca E -13783.640700366826
  N      -1.918171      0.970445      5.629801
  Mo     -3.385070      2.351514      5.054076
  N      -4.579395      1.583060      6.765409
  C      -4.323875      2.372655      7.973013
  C      -2.829168      2.545885      8.104678
  N      -2.293873      3.209297      6.867762
  C      -0.858843      2.846124      6.658052
  C      -0.717589      1.344757      6.328455
  C      -2.519413      4.696072      6.936730
  C      -3.060193      5.225596      5.617109
  N      -4.123465      4.334745      5.162053
  H       0.183574      1.196233      5.710864
  H      -0.594936      0.740997      7.242130
  H      -0.491197      3.457649      5.824378
  H      -0.279333      3.102582      7.560317
  H      -3.454087      6.244772      5.747307
  H      -2.262824      5.251074      4.853185
  H      -3.274647      4.867078      7.714056
  H      -1.586561      5.189662      7.248085
  H      -4.715440      1.850676      8.862941
  H      -4.843264      3.345225      7.929766
  H      -2.347910      1.564638      8.195241
  H      -2.548937      3.151051      8.981372
  C      -2.330181     -0.066862      4.945579
  N      -3.508434      0.240128      4.372644
  C      -4.312276     -0.594439      3.615437
  O      -5.147216     -0.142928      2.839684
  C      -4.132536     -2.074065      3.801519
  C      -4.247077     -2.908480      2.681470
  C      -4.131121     -4.288303      2.828215
  C      -3.925207     -4.855206      4.089581
  C      -3.837830     -4.014056      5.197224
  Br     -3.585638     -4.771655      6.932386
  C      -3.932900     -2.629998      5.073063
  C      -5.340127      4.805336      4.869758
  N      -5.737952      6.027571      5.132438
  C      -6.975680      6.387443      4.623700
  O      -7.471753      5.947336      3.580509
  C      -7.710945      7.407785      5.447068
  C      -8.845172      8.030769      4.912492
  C      -9.562673      8.952430      5.670743
  C      -9.173648      9.251820      6.979772
  C      -8.054786      8.606085      7.503378
  Br     -7.534529      8.967473      9.313853
  C      -7.310599      7.700004      6.758082
  C      -5.800500      1.742533      6.211105
  N      -6.715691      2.583091      6.647685
  C      -7.826849      2.758345      5.824149
  O      -8.012506      2.213334      4.729667
  C      -8.805581      3.766589      6.351729
  C      -8.761769      4.227312      7.674274
  C      -9.693360      5.163370      8.120884
  C     -10.669793      5.659063      7.254603
  C     -10.686495      5.204637      5.935823
  Br    -12.003477      5.905947      4.736026
  C      -9.772268      4.270745      5.468960
  H      -1.776722     -1.010669      4.839658
  H      -4.432341     -2.460387      1.705396
  H      -4.207630     -4.939902      1.956979
  H      -3.843461     -5.934875      4.209410
  H      -3.894603     -1.995204      5.958272
  H      -6.016869      4.078920      4.398403
  H      -9.155073      7.769422      3.901069
  H     -10.443034      9.441026      5.251007
  H      -9.728489      9.972378      7.580301
  H      -6.434170      7.206272      7.173203
  H      -5.987610      1.076391      5.350991
  H      -7.989505      3.843823      8.339159
  H      -9.660134      5.525084      9.149721
  H     -11.400642      6.391243      7.594612
  H      -9.759775      3.944997      4.429876
  N      -2.507405      2.697441      3.576995
  H      -1.954522      2.656619      2.715863
73
Coordinates from ORCA-job orca E -13783.642951531783
  N      -1.892914      0.959822      5.649600
  Mo     -3.341413      2.351356      5.063640
  N      -4.581208      1.589844      6.757445
  C      -4.323730      2.366557      7.975542
  C      -2.829291      2.535992      8.111558
  N      -2.287380      3.202035      6.878250
  C      -0.847955      2.842651      6.681727
  C      -0.700765      1.337598      6.361579
  C      -2.527114      4.688434      6.941430
  C      -3.075037      5.211424      5.620661
  N      -4.129967      4.309229      5.161738
  H       0.209019      1.188206      5.756708
  H      -0.587924      0.737839      7.279153
  H      -0.475851      3.448247      5.845783
  H      -0.273338      3.105185      7.585463
  H      -3.476827      6.227320      5.753279
  H      -2.278787      5.246238      4.855976
  H      -3.285011      4.854239      7.717447
  H      -1.601374      5.196897      7.249857
  H      -4.718130      1.839789      8.861386
  H      -4.843445      3.339465      7.937190
  H      -2.351927      1.552954      8.202875
  H      -2.553473      3.137892      8.992091
  C      -2.306705     -0.068784      4.952580
  N      -3.481157      0.252251      4.375690
  C      -4.289485     -0.567678      3.605650
  O      -5.117751     -0.100385      2.832062
  C      -4.123087     -2.050308      3.774991
  C      -4.231536     -2.872213      2.644919
  C      -4.127742     -4.254784      2.778736
  C      -3.940511     -4.836584      4.036775
  C      -3.859205     -4.007740      5.154587
  Br     -3.633524     -4.784995      6.884581
  C      -3.942026     -2.621294      5.043545
  C      -5.351708      4.770750      4.871383
  N      -5.757268      5.992023      5.125432
  C      -6.998791      6.340664      4.614258
  O      -7.491614      5.892027      3.572558
  C      -7.729046      7.382458      5.413933
  C      -8.856718      8.002786      4.862007
  C      -9.567081      8.949653      5.596311
  C      -9.177332      9.276990      6.898859
  C      -8.066026      8.632805      7.441496
  Br     -7.547071      9.031426      9.244242
  C      -7.328590      7.701930      6.719296
  C      -5.814314      1.735527      6.227911
  N      -6.740006      2.546658      6.692291
  C      -7.867501      2.716917      5.888460
  O      -8.076802      2.163461      4.803261
  C      -8.820364      3.752613      6.412155
  C      -8.748612      4.236639      7.725747
  C      -9.658743      5.195629      8.169748
  C     -10.640895      5.691332      7.309272
  C     -10.685341      5.213806      5.998571
  Br    -12.009575      5.913203      4.806476
  C      -9.792795      4.256390      5.535330
  H      -1.762194     -1.018094      4.848015
  H      -4.402449     -2.412450      1.671242
  H      -4.199346     -4.896615      1.899378
  H      -3.868753     -5.918451      4.146260
  H      -3.908734     -1.995551      5.935701
  H      -6.028658      4.037943      4.409234
  H      -9.166663      7.719943      3.856052
  H     -10.441897      9.436441      5.162222
  H      -9.725744     10.018641      7.479974
  H      -6.457131      7.210314      7.147971
  H      -5.992314      1.104211      5.338921
  H      -7.971984      3.851883      8.385392
  H      -9.603745      5.574889      9.191714
  H     -11.356182      6.440163      7.647460
  H      -9.803164      3.909754      4.502749
  N      -2.443647      2.708067      3.601982
  H      -1.887801      2.654043      2.743440
73
Coordinates from ORCA-job orca E -13783.644812822768
  N      -1.876283      0.952642      5.673534
  Mo     -3.300119      2.356091      5.067011
  N      -4.588343      1.614353      6.739194
  C      -4.332477      2.379939      7.966807
  C      -2.837558      2.540630      8.112351
  N      -2.280147      3.202447      6.882865
  C      -0.837247      2.838842      6.706981
  C      -0.691731      1.328382      6.400412
  C      -2.525773      4.689712      6.932668
  C      -3.074774      5.203018      5.606602
  N      -4.121958      4.289352      5.145996
  H       0.226823      1.170430      5.810797
  H      -0.595340      0.734548      7.323809
  H      -0.454641      3.434031      5.868325
  H      -0.270704      3.107724      7.613890
  H      -3.482723      6.216861      5.735944
  H      -2.277917      5.241714      4.842844
  H      -3.286047      4.858067      7.705869
  H      -1.604546      5.208947      7.236714
  H      -4.735200      1.851230      8.847636
  H      -4.849347      3.354571      7.928541
  H      -2.369365      1.553826      8.209018
  H      -2.566198      3.140879      8.995563
  C      -2.290635     -0.068578      4.965245
  N      -3.458791      0.265107      4.379263
  C      -4.268745     -0.542725      3.596629
  O      -5.087563     -0.062791      2.820742
  C      -4.116696     -2.027594      3.757623
  C      -4.215391     -2.842677      2.621620
  C      -4.124144     -4.226987      2.749758
  C      -3.959481     -4.817073      4.007542
  C      -3.887662     -3.994849      5.131273
  Br     -3.693537     -4.783077      6.860286
  C      -3.957932     -2.606961      5.026129
  C      -5.347784      4.745645      4.859544
  N      -5.753152      5.968535      5.105561
  C      -7.002043      6.311060      4.603585
  O      -7.517872      5.830803      3.586456
  C      -7.726694      7.356023      5.403394
  C      -8.869059      7.960848      4.863838
  C      -9.570357      8.915541      5.597361
  C      -9.156672      9.265495      6.887180
  C      -8.031411      8.635757      7.419172
  Br     -7.480217      9.064832      9.205558
  C      -7.302868      7.697691      6.696601
  C      -5.829872      1.747506      6.226015
  N      -6.763609      2.535087      6.712781
  C      -7.902756      2.694909      5.922441
  O      -8.146030      2.098777      4.865977
  C      -8.842571      3.748216      6.437044
  C      -8.741514      4.272290      7.734661
  C      -9.642530      5.244365      8.169987
  C     -10.644967      5.712835      7.316515
  C     -10.718960      5.195704      6.020850
  Br    -12.073108      5.853429      4.838289
  C      -9.835053      4.224956      5.567004
  H      -1.756439     -1.024613      4.866453
  H      -4.368738     -2.376332      1.647704
  H      -4.188164     -4.863320      1.865476
  H      -3.897924     -5.900319      4.112341
  H      -3.932166     -1.985592      5.921830
  H      -6.030460      4.008153      4.412312
  H      -9.196266      7.660753      3.867907
  H     -10.456294      9.390618      5.172126
  H      -9.697483     10.014392      7.466776
  H      -6.419878      7.217829      7.115909
  H      -6.005431      1.147452      5.313905
  H      -7.949808      3.906794      8.388184
  H      -9.565012      5.654137      9.179659
  H     -11.354747      6.469924      7.648764
  H      -9.869217      3.845361      4.545511
  N      -2.378101      2.714560      3.620586
  H      -1.815751      2.657384      2.766457
73
Coordinates from ORCA-job orca E -13783.646981477219
  N      -1.862643      0.942417      5.691644
  Mo     -3.257874      2.360254      5.045171
  N      -4.608557      1.629374      6.685221
  C      -4.363132      2.374358      7.929455
  C      -2.868887      2.528286      8.099857
  N      -2.285139      3.196334      6.883557
  C      -0.837668      2.830030      6.737045
  C      -0.690604      1.315909      6.442248
  C      -2.536726      4.683163      6.931550
  C      -3.080147      5.195586      5.602634
  N      -4.116051      4.272273      5.129603
  H       0.242044      1.148963      5.874074
  H      -0.617562      0.728097      7.373224
  H      -0.439028      3.418854      5.901263
  H      -0.287626      3.102726      7.653212
  H      -3.497752      6.205232      5.733957
  H      -2.278207      5.245085      4.844548
  H      -3.303027      4.846939      7.700152
  H      -1.620058      5.207609      7.241874
  H      -4.780662      1.836443      8.798255
  H      -4.876282      3.351476      7.896554
  H      -2.407409      1.538614      8.197563
  H      -2.609196      3.121219      8.991599
  C      -2.275472     -0.074909      4.977974
  N      -3.427699      0.272866      4.364388
  C      -4.230191     -0.526715      3.566070
  O      -5.030496     -0.039449      2.776440
  C      -4.093613     -2.012708      3.732500
  C      -4.174719     -2.829733      2.597696
  C      -4.094701     -4.213999      2.732799
  C      -3.958443     -4.801695      3.995687
  C      -3.904038     -3.977263      5.117676
  Br     -3.749092     -4.761832      6.853039
  C      -3.963915     -2.589737      5.005941
  C      -5.345966      4.719777      4.843435
  N      -5.760734      5.939097      5.090713
  C      -7.012119      6.271997      4.586465
  O      -7.519797      5.791559      3.566990
  C      -7.736769      7.328357      5.371929
  C      -8.875963      7.930085      4.822163
  C      -9.574968      8.898296      5.540641
  C      -9.162193      9.265266      6.825212
  C      -8.041037      8.637829      7.368213
  Br     -7.492404      9.089951      9.148495
  C      -7.314643      7.686447      6.660563
  C      -5.852793      1.758846      6.183705
  N      -6.786163      2.521024      6.716717
  C      -7.942614      2.691965      5.952492
  O      -8.223394      2.091737      4.906328
  C      -8.855938      3.757894      6.488658
  C      -8.718734      4.278007      7.784219
  C      -9.599233      5.257969      8.242632
  C     -10.615571      5.739484      7.413736
  C     -10.724403      5.227402      6.118945
  Br    -12.096004      5.904715      4.968802
  C      -9.862781      4.247283      5.643169
  H      -1.751823     -1.039880      4.895433
  H      -4.305674     -2.365198      1.619258
  H      -4.144883     -4.852042      1.849449
  H      -3.905317     -5.884787      4.105669
  H      -3.951134     -1.965925      5.899520
  H      -6.022858      3.977652      4.394442
  H      -9.202577      7.616788      3.830313
  H     -10.458227      9.371036      5.107041
  H      -9.700294     10.026077      7.392332
  H      -6.434206      7.209142      7.087996
  H      -6.029513      1.203777      5.235668
  H      -7.916525      3.901602      8.418159
  H      -9.494323      5.663750      9.251106
  H     -11.309960      6.502662      7.764407
  H      -9.925794      3.868923      4.623157
  N      -2.298740      2.724345      3.622506
  H      -1.722526      2.660541      2.776051
73
Coordinates from ORCA-job orca E -13783.649112220373
  N      -1.860013      0.943467      5.703174
  Mo     -3.230849      2.369566      5.019749
  N      -4.618315      1.661025      6.637894
  C      -4.377957      2.389457      7.891813
  C      -2.884691      2.533434      8.077305
  N      -2.282123      3.202470      6.871328
  C      -0.833955      2.830911      6.745636
  C      -0.693886      1.313496      6.463007
  C      -2.534407      4.688426      6.917679
  C      -3.082862      5.196238      5.589585
  N      -4.110698      4.261612      5.116355
  H       0.242095      1.133415      5.908156
  H      -0.637427      0.733757      7.399284
  H      -0.423907      3.412020      5.910252
  H      -0.294821      3.107421      7.666715
  H      -3.510405      6.201286      5.722030
  H      -2.282813      5.253628      4.831064
  H      -3.298182      4.851476      7.688273
  H      -1.618556      5.215001      7.223975
  H      -4.804829      1.845789      8.751781
  H      -4.887360      3.368499      7.864097
  H      -2.431423      1.540372      8.175326
  H      -2.629907      3.121341      8.973634
  C      -2.275568     -0.076245      4.995886
  N      -3.414345      0.277612      4.361052
  C      -4.213108     -0.521266      3.558604
  O      -4.998198     -0.032988      2.755463
  C      -4.083664     -2.007333      3.730707
  C      -4.149166     -2.826492      2.596385
  C      -4.072314     -4.210175      2.734630
  C      -3.954205     -4.795084      3.999592
  C      -3.916120     -3.968542      5.120831
  Br     -3.786503     -4.749662      6.858790
  C      -3.974070     -2.581790      5.006374
  C      -5.345754      4.702261      4.840719
  N      -5.762925      5.918223      5.096948
  C      -7.019296      6.249390      4.601972
  O      -7.533394      5.770743      3.586641
  C      -7.733856      7.312778      5.388382
  C      -8.872853      7.919243      4.843556
  C      -9.561342      8.894964      5.561770
  C      -9.138753      9.264674      6.841288
  C      -8.018114      8.632634      7.379740
  Br     -7.457443      9.088096      9.154293
  C      -7.301630      7.674088      6.671840
  C      -5.869933      1.774246      6.150325
  N      -6.807540      2.504279      6.721474
  C      -7.980959      2.657183      5.978756
  O      -8.278524      2.038911      4.949584
  C      -8.877687      3.742973      6.502844
  C      -8.722443      4.288720      7.785530
  C      -9.591232      5.284422      8.232782
  C     -10.612193      5.757216      7.404657
  C     -10.738184      5.220110      6.121968
  Br    -12.114457      5.886890      4.971071
  C      -9.889679      4.223040      5.658294
  H      -1.763780     -1.048549      4.929578
  H      -4.265220     -2.364087      1.615713
  H      -4.110161     -4.849697      1.851493
  H      -3.902795     -5.877619      4.112084
  H      -3.974350     -1.956322      5.899126
  H      -6.020451      3.958925      4.392988
  H      -9.207767      7.603596      3.855702
  H     -10.444605      9.371021      5.131927
  H      -9.669039     10.030910      7.407949
  H      -6.421691      7.193040      7.095684
  H      -6.054393      1.254783      5.193808
  H      -7.916865      3.918093      8.418863
  H      -9.473278      5.709444      9.231986
  H     -11.296862      6.532875      7.747052
  H      -9.966709      3.823433      4.648127
  N      -2.255876      2.726091      3.610412
  H      -1.676589      2.664351      2.767847
73
Coordinates from ORCA-job orca E -13783.650965852543
  N      -1.850928      0.956295      5.713990
  Mo     -3.196122      2.389448      4.994184
  N      -4.614731      1.696622      6.582970
  C      -4.386380      2.401696      7.849855
  C      -2.895779      2.537816      8.056796
  N      -2.270330      3.213290      6.867149
  C      -0.822680      2.835997      6.764781
  C      -0.690569      1.318064      6.485644
  C      -2.520852      4.698434      6.917179
  C      -3.070240      5.207466      5.588868
  N      -4.088986      4.263929      5.109259
  H       0.249191      1.127532      5.943393
  H      -0.651568      0.741992      7.423444
  H      -0.397829      3.413557      5.935025
  H      -0.297017      3.110784      7.693332
  H      -3.508661      6.207247      5.722684
  H      -2.269190      5.274122      4.832853
  H      -3.283079      4.861227      7.689380
  H      -1.604302      5.223451      7.223075
  H      -4.824420      1.846815      8.696311
  H      -4.893657      3.382020      7.831389
  H      -2.450483      1.541445      8.152361
  H      -2.650301      3.116407      8.961532
  C      -2.267057     -0.065521      5.010148
  N      -3.389453      0.293403      4.351637
  C      -4.182863     -0.502765      3.541406
  O      -4.950845     -0.008792      2.723996
  C      -4.079249     -1.990576      3.726670
  C      -4.130972     -2.814896      2.594988
  C      -4.080998     -4.200959      2.741624
  C      -4.004278     -4.783120      4.012017
  C      -3.979881     -3.950986      5.130053
  Br     -3.908672     -4.728647      6.875067
  C      -4.011080     -2.561747      5.007487
  C      -5.329622      4.695828      4.840701
  N      -5.756602      5.906634      5.104949
  C      -7.019986      6.225441      4.618762
  O      -7.542888      5.729715      3.617601
  C      -7.732763      7.292075      5.402133
  C      -8.885152      7.881406      4.866086
  C      -9.570667      8.860942      5.580754
  C      -9.131499      9.251938      6.848079
  C      -7.997546      8.636964      7.377904
  Br     -7.414194      9.121717      9.136385
  C      -7.284208      7.674595      6.673180
  C      -5.870292      1.793421      6.107082
  N      -6.815323      2.486257      6.713356
  C      -8.004121      2.618805      5.992891
  O      -8.328019      1.966493      4.991962
  C      -8.890854      3.714182      6.510571
  C      -8.712242      4.284230      7.778562
  C      -9.569645      5.291726      8.219630
  C     -10.601018      5.753486      7.398871
  C     -10.749687      5.192567      6.129889
  Br    -12.136775      5.848544      4.985972
  C      -9.914740      4.181589      5.673571
  H      -1.764856     -1.041764      4.956223
  H      -4.215735     -2.354771      1.609511
  H      -4.108759     -4.844282      1.860835
  H      -3.974828     -5.867661      4.131316
  H      -4.025192     -1.932076      5.897287
  H      -5.998022      3.949206      4.388943
  H      -9.232665      7.549966      3.887652
  H     -10.464218      9.323557      5.158059
  H      -9.659501     10.021114      7.411780
  H      -6.393738      7.206925      7.089966
  H      -6.061581      1.307572      5.136929
  H      -7.897819      3.922918      8.405639
  H      -9.433929      5.735447      9.207706
  H     -11.275465      6.539384      7.736381
  H     -10.009962      3.762153      4.673470
  N      -2.203650      2.743817      3.593904
  H      -1.621147      2.696410      2.756160
73
Coordinates from ORCA-job orca E -13783.652534203544
  N      -1.865000      0.960417      5.720672
  Mo     -3.183660      2.402229      4.969271
  N      -4.624267      1.729892      6.532003
  C      -4.404776      2.411778      7.810403
  C      -2.916422      2.536932      8.035044
  N      -2.269174      3.215922      6.860318
  C      -0.824684      2.827697      6.776482
  C      -0.706234      1.309210      6.499441
  C      -2.510154      4.701619      6.913386
  C      -3.061348      5.214115      5.585789
  N      -4.076224      4.266814      5.104260
  H       0.234723      1.106145      5.964911
  H      -0.681924      0.735386      7.438666
  H      -0.384725      3.400885      5.951402
  H      -0.308557      3.098811      7.711158
  H      -3.506144      6.210742      5.720521
  H      -2.260697      5.285399      4.830305
  H      -3.266578      4.870326      7.689817
  H      -1.588512      5.219728      7.214684
  H      -4.853307      1.847103      8.644589
  H      -4.908202      3.394488      7.802635
  H      -2.481574      1.536109      8.128187
  H      -2.677337      3.105946      8.947564
  C      -2.285153     -0.063578      5.022291
  N      -3.393470      0.300358      4.345305
  C      -4.184982     -0.496821      3.535672
  O      -4.943635     -0.006244      2.707265
  C      -4.083705     -1.981687      3.730526
  C      -4.129225     -2.813836      2.603659
  C      -4.067590     -4.195218      2.756884
  C      -3.984464     -4.764736      4.028327
  C      -3.967105     -3.924758      5.141068
  Br     -3.882313     -4.684626      6.886701
  C      -4.011306     -2.540377      5.012501
  C      -5.321805      4.693206      4.849284
  N      -5.753620      5.899236      5.125504
  C      -7.027022      6.208212      4.658349
  O      -7.567043      5.698206      3.672518
  C      -7.725543      7.283434      5.441103
  C      -8.890166      7.861222      4.920087
  C      -9.563439      8.848449      5.634899
  C      -9.099016      9.259087      6.887851
  C      -7.951720      8.656430      7.402438
  Br     -7.332086      9.168949      9.141419
  C      -7.250818      7.686503      6.696682
  C      -5.884539      1.806872      6.070607
  N      -6.839599      2.460587      6.703073
  C      -8.042916      2.565028      6.004230
  O      -8.390155      1.869530      5.040899
  C      -8.916774      3.681604      6.499451
  C      -8.713021      4.294104      7.743984
  C      -9.553751      5.324639      8.163137
  C     -10.592847      5.767903      7.342828
  C     -10.766653      5.164402      6.096543
  Br    -12.161309      5.798763      4.949552
  C      -9.949759      4.129344      5.662943
  H      -1.791848     -1.044340      4.976974
  H      -4.215597     -2.362843      1.616560
  H      -4.089239     -4.844622      1.880496
  H      -3.942712     -5.844393      4.152640
  H      -4.027338     -1.904380      5.898241
  H      -5.988187      3.945226      4.397734
  H      -9.257190      7.515171      3.953580
  H     -10.467109      9.301614      5.224549
  H      -9.618240     10.033610      7.452087
  H      -6.350106      7.228339      7.101201
  H      -6.081371      1.348025      5.088963
  H      -7.892064      3.947988      8.370390
  H      -9.398291      5.801710      9.132989
  H     -11.252596      6.573106      7.662518
  H     -10.064934      3.676406      4.679129
  N      -2.184206      2.748063      3.571448
  H      -1.600816      2.716955      2.732613
73
Coordinates from ORCA-job orca E -13783.653911349113
  N      -1.855675      0.975635      5.731276
  Mo     -3.148051      2.425222      4.949511
  N      -4.608740      1.772648      6.486729
  C      -4.399120      2.432927      7.776579
  C      -2.913201      2.550054      8.018919
  N      -2.245091      3.231425      6.858223
  C      -0.804067      2.832085      6.791243
  C      -0.697572      1.312369      6.516363
  C      -2.475908      4.718285      6.913694
  C      -3.027829      5.235670      5.587049
  N      -4.038480      4.286400      5.102706
  H       0.244570      1.098480      5.987403
  H      -0.684596      0.740002      7.457223
  H      -0.349696      3.400884      5.970360
  H      -0.295938      3.100293      7.731515
  H      -3.478045      6.229736      5.722663
  H      -2.226277      5.311258      4.833129
  H      -3.225998      4.894141      7.694742
  H      -1.548259      5.228567      7.209818
  H      -4.857706      1.859045      8.598948
  H      -4.899807      3.417336      7.779273
  H      -2.486843      1.545854      8.111405
  H      -2.681993      3.110880      8.938594
  C      -2.279215     -0.050364      5.038726
  N      -3.372096      0.320247      4.340348
  C      -4.159670     -0.471350      3.521651
  O      -4.888602      0.026729      2.670021
  C      -4.089823     -1.957045      3.727591
  C      -4.104069     -2.789825      2.600409
  C      -4.081037     -4.174020      2.760069
  C      -4.070488     -4.745882      4.038103
  C      -4.083456     -3.904641      5.149878
  Br     -4.103539     -4.668399      6.903420
  C      -4.086967     -2.516977      5.015153
  C      -5.289028      4.703807      4.857700
  N      -5.732125      5.904638      5.138826
  C      -7.014388      6.191357      4.680863
  O      -7.562732      5.650562      3.715284
  C      -7.717789      7.268821      5.454655
  C      -8.902842      7.812121      4.943274
  C      -9.585226      8.797309      5.652233
  C      -9.108725      9.240580      6.890224
  C      -7.938792      8.674298      7.394463
  Br     -7.299362      9.233678      9.113359
  C      -7.229196      7.706829      6.693636
  C      -5.873488      1.826068      6.041616
  N      -6.841727      2.434709      6.698379
  C      -8.059940      2.508435      6.024625
  O      -8.422929      1.781082      5.095755
  C      -8.928497      3.634806      6.506104
  C      -8.706320      4.273820      7.732864
  C      -9.540082      5.313612      8.141966
  C     -10.590471      5.740568      7.328482
  C     -10.782331      5.110701      6.098832
  Br    -12.189987      5.726527      4.957493
  C      -9.973306      4.065457      5.675719
  H      -1.792388     -1.035028      5.000567
  H      -4.137060     -2.337227      1.607847
  H      -4.079456     -4.824304      1.884431
  H      -4.062869     -5.828488      4.167553
  H      -4.131995     -1.880167      5.898685
  H      -5.949488      3.951046      4.404870
  H      -9.279492      7.440562      3.990267
  H     -10.505969      9.222272      5.250411
  H      -9.636415     10.011689      7.451298
  H      -6.311787      7.276241      7.090295
  H      -6.069328      1.388435      5.049575
  H      -7.876812      3.941003      8.354241
  H      -9.370061      5.811082      9.097709
  H     -11.242668      6.555369      7.638764
  H     -10.103498      3.591950      4.703593
  N      -2.146894      2.764144      3.551945
  H      -1.564426      2.751481      2.710064
73
Coordinates from ORCA-job orca E -13783.655049364183
  N      -1.848572      0.980916      5.737816
  Mo     -3.118334      2.440330      4.938564
  N      -4.600278      1.803715      6.454116
  C      -4.395279      2.445182      7.755245
  C      -2.910733      2.552102      8.011938
  N      -2.225182      3.235249      6.862583
  C      -0.787003      2.825311      6.806623
  C      -0.689381      1.305868      6.527087
  C      -2.444427      4.723388      6.924172
  C      -2.997336      5.250065      5.601320
  N      -4.006445      4.303601      5.111575
  H       0.252439      1.087942      5.998826
  H      -0.681364      0.729877      7.465674
  H      -0.321247      3.392617      5.991140
  H      -0.283350      3.087157      7.751232
  H      -3.449073      6.242773      5.742507
  H      -2.194776      5.330965      4.848876
  H      -3.187283      4.904765      7.711272
  H      -1.510038      5.224959      7.214812
  H      -4.863635      1.864353      8.567356
  H      -4.890878      3.432546      7.767911
  H      -2.492686      1.544443      8.104291
  H      -2.685775      3.105456      8.937803
  C      -2.277146     -0.043748      5.046350
  N      -3.358859      0.337058      4.334866
  C      -4.147643     -0.446803      3.509605
  O      -4.871162      0.058876      2.657068
  C      -4.101151     -1.932533      3.721178
  C      -4.134619     -2.771280      2.597944
  C      -4.136870     -4.156104      2.762648
  C      -4.130304     -4.721648      4.041607
  C      -4.121157     -3.873706      5.149176
  Br     -4.142297     -4.627931      6.903242
  C      -4.100391     -2.485608      5.009821
  C      -5.261313      4.712957      4.879449
  N      -5.715129      5.908351      5.167907
  C      -7.005017      6.175852      4.717471
  O      -7.556576      5.614004      3.764836
  C      -7.712083      7.259915      5.476799
  C      -8.909568      7.776699      4.967323
  C      -9.600398      8.763959      5.665589
  C      -9.119593      9.235834      6.891383
  C      -7.935222      8.697933      7.392992
  Br     -7.286246      9.299659      9.095066
  C      -7.217364      7.728978      6.702185
  C      -5.868880      1.835949      6.023782
  N      -6.846785      2.407715      6.695401
  C      -8.078538      2.450484      6.045270
  O      -8.466542      1.670465      5.166900
  C      -8.940777      3.593312      6.503366
  C      -8.698063      4.274063      7.704680
  C      -9.525171      5.327578      8.093018
  C     -10.588911      5.727835      7.282423
  C     -10.800200      5.057087      6.076747
  Br    -12.222364      5.640269      4.934850
  C      -9.999128      3.996662      5.675902
  H      -1.797350     -1.032541      5.009558
  H      -4.165228     -2.323361      1.604617
  H      -4.152172     -4.811780      1.890373
  H      -4.142542     -5.804957      4.174749
  H      -4.127525     -1.842619      5.890404
  H      -5.917843      3.957581      4.425061
  H      -9.289637      7.382464      4.025064
  H     -10.531851      9.167043      5.265710
  H      -9.655092     10.006562      7.445812
  H      -6.289288      7.320280      7.097255
  H      -6.058004      1.414524      5.021950
  H      -7.857910      3.962538      8.323924
  H      -9.338966      5.857264      9.029217
  H     -11.233823      6.555621      7.573828
  H     -10.145517      3.491766      4.721739
  N      -2.120389      2.782023      3.538080
  H      -1.543935      2.789394      2.694273
73
Coordinates from ORCA-job orca E -13783.655971971535
  N      -1.854628      0.979958      5.742112
  Mo     -3.098326      2.450013      4.923504
  N      -4.604038      1.836204      6.416911
  C      -4.401815      2.459433      7.728832
  C      -2.918274      2.551757      8.001746
  N      -2.212100      3.234088      6.864370
  C      -0.778247      2.809102      6.819908
  C      -0.692690      1.289901      6.534705
  C      -2.411694      4.724500      6.933462
  C      -2.958242      5.264183      5.612628
  N      -3.968640      4.327332      5.114026
  H       0.247112      1.067204      6.004216
  H      -0.688809      0.708199      7.470116
  H      -0.299032      3.373837      6.010354
  H      -0.278885      3.062684      7.769198
  H      -3.405876      6.258335      5.757935
  H      -2.150853      5.346005      4.865142
  H      -3.146905      4.915419      7.725816
  H      -1.467600      5.210809      7.219712
  H      -4.883170      1.873698      8.529780
  H      -4.888292      3.451653      7.750672
  H      -2.510251      1.539986      8.095916
  H      -2.700108      3.097979      8.933521
  C      -2.290253     -0.044606      5.054191
  N      -3.359830      0.346905      4.329616
  C      -4.148822     -0.431160      3.499929
  O      -4.856634      0.077055      2.636635
  C      -4.115422     -1.915170      3.717430
  C      -4.143333     -2.759066      2.598497
  C      -4.149256     -4.140422      2.770409
  C      -4.151951     -4.696885      4.051975
  C      -4.149081     -3.844131      5.154798
  Br     -4.179316     -4.585272      6.911605
  C      -4.125304     -2.459705      5.008601
  C      -5.223925      4.733112      4.887083
  N      -5.685526      5.925720      5.179364
  C      -6.973575      6.183966      4.716441
  O      -7.517102      5.608204      3.766731
  C      -7.694784      7.267245      5.462240
  C      -8.899828      7.759468      4.946999
  C      -9.610665      8.738432      5.637166
  C      -9.142299      9.226412      6.860813
  C      -7.947549      8.715987      7.366614
  Br     -7.310778      9.344498      9.064576
  C      -7.210280      7.755676      6.683908
  C      -5.875311      1.849102      5.997188
  N      -6.859181      2.384319      6.686345
  C      -8.100498      2.414040      6.060349
  O      -8.497635      1.624440      5.203637
  C      -8.958755      3.558330      6.521876
  C      -8.710234      4.229924      7.723564
  C      -9.530693      5.284801      8.120710
  C     -10.591025      5.699072      7.316319
  C     -10.807634      5.037702      6.109130
  Br    -12.220647      5.645328      4.972114
  C     -10.017057      3.972201      5.701591
  H      -1.819986     -1.038859      5.020178
  H      -4.164386     -2.317462      1.602868
  H      -4.158467     -4.800778      1.901990
  H      -4.165206     -5.776775      4.190079
  H      -4.154592     -1.812044      5.885255
  H      -5.876166      3.979656      4.424210
  H      -9.270441      7.351364      4.007452
  H     -10.549277      9.120621      5.233282
  H      -9.695441      9.987168      7.411417
  H      -6.275229      7.367676      7.083485
  H      -6.055666      1.439856      4.986739
  H      -7.871102      3.910220      8.337557
  H      -9.340155      5.806312      9.057287
  H     -11.226317      6.533064      7.610642
  H     -10.171359      3.473464      4.747033
  N      -2.110932      2.791779      3.513879
  H      -1.542902      2.824455      2.664817
73
Coordinates from ORCA-job orca E -13783.656724597260
  N      -1.854219      0.978620      5.747244
  Mo     -3.083618      2.449854      4.914564
  N      -4.609031      1.866442      6.401268
  C      -4.404477      2.490451      7.713123
  C      -2.920510      2.571773      7.993029
  N      -2.201899      3.242335      6.856511
  C      -0.770413      2.807327      6.819787
  C      -0.689803      1.285875      6.539171
  C      -2.386771      4.735750      6.921254
  C      -2.934511      5.275303      5.600740
  N      -3.946767      4.342012      5.106375
  H       0.248043      1.060118      6.005183
  H      -0.684274      0.703668      7.475497
  H      -0.284484      3.365804      6.009338
  H      -0.272002      3.061608      7.770123
  H      -3.378025      6.271555      5.746417
  H      -2.127189      5.354216      4.852816
  H      -3.113488      4.938176      7.718229
  H      -1.435407      5.213896      7.196963
  H      -4.894456      1.910400      8.512799
  H      -4.882669      3.486422      7.731390
  H      -2.519207      1.558050      8.098163
  H      -2.705999      3.122129      8.923127
  C      -2.294967     -0.048519      5.065849
  N      -3.358964      0.347154      4.336719
  C      -4.147132     -0.427503      3.503780
  O      -4.833958      0.082095      2.626315
  C      -4.119943     -1.911026      3.720842
  C      -4.120291     -2.752213      2.600993
  C      -4.130971     -4.131925      2.773747
  C      -4.168268     -4.689553      4.057040
  C      -4.194165     -3.840150      5.160504
  Br     -4.274800     -4.582991      6.919093
  C      -4.164439     -2.457302      5.013428
  C      -5.205946      4.739219      4.898476
  N      -5.672854      5.927775      5.201929
  C      -6.973377      6.172032      4.763867
  O      -7.532158      5.588346      3.827153
  C      -7.688875      7.256721      5.514024
  C      -8.912252      7.731590      5.023411
  C      -9.616826      8.710595      5.720784
  C      -9.123738      9.216222      6.927087
  C      -7.910746      8.723197      7.408069
  Br     -7.237299      9.379046      9.080260
  C      -7.179738      7.763085      6.718113
  C      -5.884556      1.855350      5.990644
  N      -6.871830      2.372351      6.681120
  C      -8.124755      2.368300      6.078302
  O      -8.538716      1.527242      5.274004
  C      -8.977356      3.534609      6.500619
  C      -8.708771      4.267350      7.666236
  C      -9.524926      5.340170      8.025629
  C     -10.601359      5.711319      7.217397
  C     -10.837945      4.988671      6.045757
  Br    -12.272593      5.536227      4.900884
  C     -10.051846      3.904461      5.678203
  H      -1.831074     -1.045995      5.035797
  H      -4.114273     -2.309266      1.603857
  H      -4.116981     -4.790440      1.904809
  H      -4.186239     -5.768009      4.195151
  H      -4.217359     -1.811829      5.889406
  H      -5.862070      3.981303      4.448700
  H      -9.301111      7.309452      4.096597
  H     -10.569685      9.078822      5.335581
  H      -9.671574      9.976800      7.483794
  H      -6.230025      7.389944      7.098484
  H      -6.053869      1.444863      4.980846
  H      -7.856452      3.981656      8.282388
  H      -9.318344      5.909611      8.935073
  H     -11.233649      6.558573      7.479905
  H     -10.224953      3.356305      4.752784
  N      -2.117110      2.788437      3.492436
  H      -1.560868      2.833560      2.632197
73
Coordinates from ORCA-job orca E -13783.657437512322
  N      -1.838897      0.984041      5.746911
  Mo     -3.060891      2.455931      4.913691
  N      -4.600725      1.887796      6.388369
  C      -4.396533      2.502504      7.703669
  C      -2.912968      2.572628      7.991290
  N      -2.184688      3.243581      6.862091
  C      -0.754389      2.805100      6.831439
  C      -0.674287      1.286380      6.540897
  C      -2.362063      4.737221      6.935560
  C      -2.909380      5.284633      5.618006
  N      -3.918884      4.354331      5.116014
  H       0.262247      1.065750      6.003465
  H      -0.667837      0.696690      7.471481
  H      -0.262860      3.366637      6.027045
  H      -0.260312      3.052464      7.785240
  H      -3.352592      6.280119      5.769294
  H      -2.100163      5.368665      4.872791
  H      -3.084771      4.939708      7.736130
  H      -1.407199      5.209849      7.208824
  H      -4.893800      1.920638      8.497088
  H      -4.868203      3.501743      7.725326
  H      -2.516681      1.556908      8.097001
  H      -2.702660      3.119323      8.924518
  C      -2.281400     -0.042513      5.063560
  N      -3.342640      0.357234      4.334761
  C      -4.131959     -0.411375      3.496045
  O      -4.822354      0.106679      2.625676
  C      -4.123665     -1.895919      3.715092
  C      -4.154466     -2.741174      2.597783
  C      -4.195275     -4.122983      2.772850
  C      -4.229733     -4.677795      4.056001
  C      -4.221066     -3.823535      5.157518
  Br     -4.296357     -4.561998      6.916251
  C      -4.162181     -2.438749      5.007937
  C      -5.178949      4.746607      4.909985
  N      -5.652891      5.932448      5.216892
  C      -6.945138      6.176734      4.756183
  O      -7.483132      5.599893      3.803614
  C      -7.676244      7.258874      5.495460
  C      -8.887126      7.735713      4.979116
  C      -9.609680      8.708644      5.666101
  C      -9.147644      9.205754      6.888095
  C      -7.945496      8.712338      7.394317
  Br     -7.313155      9.359311      9.086712
  C      -7.196554      7.758521      6.714695
  C      -5.879706      1.862725      5.984369
  N      -6.867702      2.361032      6.688686
  C      -8.127805      2.342662      6.103755
  O      -8.545935      1.491162      5.314705
  C      -8.982412      3.507238      6.523314
  C      -8.711611      4.244649      7.684838
  C      -9.529446      5.316333      8.043141
  C     -10.608741      5.682954      7.236638
  C     -10.848404      4.954806      6.069343
  Br    -12.287390      5.495380      4.926696
  C     -10.061849      3.869733      5.704377
  H      -1.821844     -1.040781      5.030908
  H      -4.153234     -2.300482      1.600834
  H      -4.208500     -4.784886      1.905466
  H      -4.273088     -5.758620      4.195777
  H      -4.190865     -1.788724      5.882845
  H      -5.832437      3.989747      4.453355
  H      -9.251861      7.319002      4.040637
  H     -10.553106      9.077301      5.260750
  H      -9.711720      9.959238      7.437834
  H      -6.256123      7.384439      7.114806
  H      -6.046839      1.458455      4.970503
  H      -7.856039      3.963794      8.298416
  H      -9.321481      5.888859      8.949697
  H     -11.241025      6.530969      7.496797
  H     -10.240597      3.314417      4.783993
  N      -2.119104      2.814939      3.481829
  H      -1.578662      2.885825      2.616104
73
Coordinates from ORCA-job orca E -13783.657959754222
  N      -1.835597      0.984789      5.750284
  Mo     -3.043721      2.456338      4.904529
  N      -4.609396      1.922766      6.364839
  C      -4.407552      2.535664      7.679604
  C      -2.925160      2.586252      7.980485
  N      -2.177816      3.247333      6.857968
  C      -0.750364      2.798792      6.844197
  C      -0.675010      1.280559      6.553085
  C      -2.339484      4.743083      6.928903
  C      -2.876941      5.292008      5.607395
  N      -3.886813      4.366632      5.102032
  H       0.263578      1.057211      6.019200
  H      -0.677357      0.687930      7.482440
  H      -0.245918      3.357111      6.045171
  H      -0.266018      3.042720      7.803690
  H      -3.314640      6.290452      5.755315
  H      -2.062883      5.370648      4.866846
  H      -3.061218      4.955631      7.727311
  H      -1.379980      5.206101      7.201648
  H      -4.919045      1.960137      8.468763
  H      -4.865927      3.541375      7.696362
  H      -2.541107      1.566434      8.093480
  H      -2.719658      3.132976      8.914914
  C      -2.280112     -0.043563      5.068631
  N      -3.337697      0.357956      4.337346
  C      -4.126559     -0.409026      3.495741
  O      -4.810088      0.110989      2.621037
  C      -4.127565     -1.892960      3.720120
  C      -4.162915     -2.743478      2.607012
  C      -4.211232     -4.124155      2.788343
  C      -4.248310     -4.672359      4.073386
  C      -4.234714     -3.812839      5.170969
  Br     -4.311493     -4.541651      6.932232
  C      -4.169013     -2.429290      5.014988
  C      -5.145672      4.759275      4.898732
  N      -5.620063      5.945334      5.209001
  C      -6.908930      6.191515      4.743097
  O      -7.444076      5.616083      3.788520
  C      -7.653752      7.256190      5.497192
  C      -8.878146      7.716907      4.995283
  C      -9.612046      8.670854      5.697317
  C      -9.147523      9.165337      6.919537
  C      -7.932603      8.687843      7.411283
  Br     -7.298554      9.330566      9.103515
  C      -7.172802      7.752376      6.717242
  C      -5.888239      1.883824      5.960543
  N      -6.875915      2.372717      6.669582
  C      -8.140800      2.339693      6.098595
  O      -8.559824      1.477525      5.323197
  C      -9.000557      3.499203      6.516352
  C      -8.728874      4.238949      7.674773
  C      -9.549814      5.307306      8.033797
  C     -10.630844      5.670786      7.229001
  C     -10.871911      4.940305      6.064850
  Br    -12.312512      5.477515      4.924055
  C     -10.085521      3.854318      5.701887
  H      -1.827640     -1.045539      5.040263
  H      -4.158800     -2.307644      1.608330
  H      -4.227754     -4.789967      1.924030
  H      -4.296903     -5.752048      4.217825
  H      -4.193712     -1.774689      5.886773
  H      -5.802302      4.004732      4.443700
  H      -9.243737      7.301812      4.055938
  H     -10.565519      9.026922      5.302768
  H      -9.719967      9.904222      7.480528
  H      -6.222415      7.390224      7.106183
  H      -6.054930      1.479932      4.947815
  H      -7.870438      3.962334      8.285344
  H      -9.342367      5.879918      8.938577
  H     -11.264664      6.517647      7.488716
  H     -10.271211      3.291636      4.787839
  N      -2.121052      2.827279      3.461124
  H      -1.593055      2.923754      2.589832
73
Coordinates from ORCA-job orca E -13783.658314385424
  N      -1.838809      0.985824      5.747536
  Mo     -3.045188      2.450735      4.898556
  N      -4.620763      1.944264      6.350810
  C      -4.419163      2.556471      7.664089
  C      -2.938313      2.592266      7.970747
  N      -2.179230      3.247497      6.853161
  C      -0.754402      2.793273      6.851430
  C      -0.681594      1.277013      6.556576
  C      -2.327379      4.745004      6.922905
  C      -2.859031      5.295809      5.599257
  N      -3.870393      4.374331      5.094011
  H       0.257738      1.053393      6.025134
  H      -0.690502      0.680833      7.483110
  H      -0.241199      3.352299      6.058492
  H      -0.278726      3.033369      7.815998
  H      -3.292040      6.296477      5.745073
  H      -2.042655      5.369595      4.860851
  H      -3.047590      4.965392      7.720332
  H      -1.363576      5.198676      7.194998
  H      -4.938636      1.985510      8.451057
  H      -4.866942      3.567145      7.679635
  H      -2.563441      1.569023      8.084462
  H      -2.732914      3.137010      8.906537
  C      -2.283186     -0.045691      5.068776
  N      -3.341732      0.352064      4.338834
  C      -4.125954     -0.417021      3.494362
  O      -4.800368      0.100724      2.611678
  C      -4.124864     -1.900019      3.721913
  C      -4.143828     -2.751893      2.609842
  C      -4.184957     -4.131033      2.794168
  C      -4.232955     -4.676707      4.080893
  C      -4.237674     -3.816186      5.177413
  Br     -4.330339     -4.541588      6.940983
  C      -4.178818     -2.434179      5.018272
  C      -5.128758      4.767194      4.894609
  N      -5.604997      5.951665      5.212428
  C      -6.890133      6.200663      4.743226
  O      -7.410230      5.650909      3.764985
  C      -7.638208      7.260869      5.499528
  C      -8.855640      7.728986      4.989561
  C      -9.593497      8.677399      5.693206
  C      -9.139622      9.158907      6.924736
  C      -7.931252      8.673951      7.423954
  Br     -7.313728      9.296611      9.129203
  C      -7.167844      7.743707      6.728775
  C      -5.900330      1.892825      5.945420
  N      -6.887095      2.378984      6.660175
  C      -8.157226      2.332918      6.103028
  O      -8.579169      1.461672      5.337378
  C      -9.019167      3.488618      6.524474
  C      -8.735000      4.236365      7.675086
  C      -9.551042      5.307348      8.035116
  C     -10.638437      5.666717      7.237617
  C     -10.893235      4.927808      6.082111
  Br    -12.340643      5.462097      4.949550
  C     -10.113763      3.836676      5.720245
  H      -1.833855     -1.048404      5.041574
  H      -4.129784     -2.317864      1.609572
  H      -4.187045     -4.797484      1.930707
  H      -4.275422     -5.754726      4.227598
  H      -4.218033     -1.779072      5.888671
  H      -5.787740      4.014675      4.439109
  H      -9.212474      7.323309      4.042796
  H     -10.541836      9.038965      5.292741
  H      -9.716158      9.893057      7.486946
  H      -6.223069      7.374684      7.123598
  H      -6.069595      1.482765      4.936786
  H      -7.869217      3.965429      8.277288
  H      -9.333611      5.886299      8.933784
  H     -11.267053      6.517255      7.496703
  H     -10.313505      3.264204      4.815668
  N      -2.149252      2.837501      3.443311
  H      -1.637087      2.964358      2.568047
73
Coordinates from ORCA-job orca E -13783.658593569733
  N      -1.833819      0.986212      5.753071
  Mo     -3.030714      2.450092      4.893894
  N      -4.628125      1.974426      6.332487
  C      -4.431555      2.591104      7.644115
  C      -2.953369      2.610899      7.962310
  N      -2.175185      3.253407      6.849334
  C      -0.753644      2.788335      6.868903
  C      -0.685815      1.271601      6.577370
  C      -2.308264      4.753289      6.908642
  C      -2.827623      5.301190      5.578650
  N      -3.842931      4.385281      5.073310
  H       0.259739      1.041292      6.058858
  H      -0.711952      0.676363      7.504663
  H      -0.225578      3.343311      6.082572
  H      -0.290769      3.026928      7.840101
  H      -3.252806      6.306298      5.716941
  H      -2.006329      5.364162      4.844623
  H      -3.031182      4.986259      7.699930
  H      -1.341312      5.197937      7.183890
  H      -4.963593      2.029552      8.429599
  H      -4.867210      3.607014      7.651974
  H      -2.592212      1.583282      8.080879
  H      -2.749034      3.155915      8.898248
  C      -2.279522     -0.046061      5.074759
  N      -3.335806      0.352547      4.342463
  C      -4.116612     -0.415530      3.492600
  O      -4.784750      0.103904      2.606155
  C      -4.124640     -1.897756      3.725351
  C      -4.154152     -2.754016      2.616601
  C      -4.206160     -4.133050      2.805986
  C      -4.253529     -4.674046      4.094285
  C      -4.246643     -3.808813      5.187567
  Br     -4.338085     -4.527589      6.953334
  C      -4.177487     -2.426955      5.023362
  C      -5.098417      4.783721      4.873763
  N      -5.571350      5.969835      5.192719
  C      -6.852441      6.224929      4.720921
  O      -7.371508      5.680503      3.738656
  C      -7.615148      7.258830      5.501674
  C      -8.845700      7.712696      5.009204
  C      -9.594362      8.636887      5.734115
  C      -9.138137      9.107857      6.969414
  C      -7.917457      8.636511      7.451368
  Br     -7.298363      9.242160      9.162414
  C      -7.143377      7.730346      6.735080
  C      -5.906789      1.911030      5.927123
  N      -6.894551      2.396635      6.641767
  C      -8.167544      2.335862      6.092095
  O      -8.582852      1.462959      5.325296
  C      -9.035958      3.486311      6.514198
  C      -8.740618      4.251434      7.652321
  C      -9.560307      5.319977      8.011474
  C     -10.663524      5.659097      7.225216
  C     -10.930903      4.902198      6.083153
  Br    -12.401416      5.408640      4.965794
  C     -10.147159      3.812955      5.723049
  H      -1.835838     -1.052029      5.052736
  H      -4.141152     -2.323792      1.615067
  H      -4.217850     -4.802741      1.944997
  H      -4.304834     -5.752049      4.245075
  H      -4.208493     -1.768167      5.891361
  H      -5.761607      4.034555      4.419408
  H      -9.203363      7.315719      4.058879
  H     -10.552587      8.987608      5.347258
  H      -9.722547      9.823700      7.547361
  H      -6.188866      7.371458      7.116142
  H      -6.076893      1.497076      4.919647
  H      -7.862101      3.996788      8.244212
  H      -9.333455      5.912648      8.900249
  H     -11.295785      6.507410      7.483495
  H     -10.359617      3.222815      4.831893
  N      -2.139532      2.838262      3.436510
  H      -1.630104      2.980098      2.559269
73
Coordinates from ORCA-job orca E -13783.658793560828
  N      -1.832417      0.986914      5.758859
  Mo     -3.017573      2.451293      4.885214
  N      -4.633594      2.009167      6.309498
  C      -4.441788      2.633602      7.618766
  C      -2.966386      2.636417      7.949202
  N      -2.168716      3.262705      6.840047
  C      -0.752064      2.783622      6.881654
  C      -0.694615      1.264743      6.599020
  C      -2.285256      4.764572      6.885651
  C      -2.791670      5.308220      5.548982
  N      -3.812836      4.398614      5.044953
  H       0.256886      1.020995      6.097752
  H      -0.742747      0.675025      7.529431
  H      -0.207672      3.330827      6.100538
  H      -0.301357      3.022883      7.858575
  H      -3.208235      6.318187      5.678360
  H      -1.965859      5.358284      4.819028
  H      -3.010419      5.012274      7.670493
  H      -1.314853      5.199262      7.163988
  H      -4.987737      2.084690      8.403699
  H      -4.864161      3.654875      7.616381
  H      -2.621348      1.603774      8.072561
  H      -2.760520      3.182060      8.884458
  C      -2.282042     -0.047032      5.085623
  N      -3.334680      0.352325      4.347528
  C      -4.111224     -0.416649      3.493354
  O      -4.767398      0.101660      2.597508
  C      -4.128124     -1.897622      3.733452
  C      -4.158302     -2.758651      2.628250
  C      -4.216966     -4.136956      2.823448
  C      -4.269991     -4.672535      4.113883
  C      -4.262819     -3.802456      5.203333
  Br     -4.361932     -4.513714      6.971832
  C      -4.187622     -2.421307      5.033503
  C      -5.065576      4.804177      4.847572
  N      -5.535145      5.990007      5.172836
  C      -6.814249      6.251469      4.702475
  O      -7.323376      5.732787      3.700125
  C      -7.588412      7.259281      5.506899
  C      -8.827844      7.704394      5.028368
  C      -9.588648      8.600612      5.776072
  C      -9.135392      9.052297      7.019718
  C      -7.905395      8.590717      7.486952
  Br     -7.290425      9.167988      9.209943
  C      -7.119565      7.712165      6.748460
  C      -5.910991      1.934294      5.904975
  N      -6.900017      2.421923      6.615075
  C      -8.173007      2.349739      6.066298
  O      -8.581280      1.472823      5.299386
  C      -9.054063      3.486753      6.498753
  C      -8.754141      4.258961      7.630433
  C      -9.582960      5.317755      7.997198
  C     -10.700510      5.640710      7.224493
  C     -10.974063      4.875867      6.089906
  Br    -12.467982      5.358483      4.992269
  C     -10.181549      3.794851      5.723293
  H      -1.845837     -1.057242      5.071932
  H      -4.140410     -2.332759      1.624899
  H      -4.229331     -4.810262      1.965198
  H      -4.326024     -5.749940      4.269455
  H      -4.218721     -1.758946      5.898743
  H      -5.732928      4.058407      4.393631
  H      -9.183030      7.322518      4.071067
  H     -10.554397      8.943893      5.400792
  H      -9.729498      9.745590      7.615337
  H      -6.158096      7.359865      7.118567
  H      -6.082463      1.513513      4.902317
  H      -7.864951      4.017257      8.211206
  H      -9.352034      5.915394      8.880399
  H     -11.339676      6.482402      7.488351
  H     -10.401288      3.195291      4.840198
  N      -2.122893      2.826564      3.427224
  H      -1.610967      2.977852      2.551560
73
Coordinates from ORCA-job orca E -13783.658954680095
  N      -1.830784      0.986158      5.758858
  Mo     -3.008209      2.452531      4.878811
  N      -4.635265      2.037665      6.288822
  C      -4.446739      2.667025      7.597729
  C      -2.973921      2.653136      7.938689
  N      -2.160923      3.266980      6.833858
  C      -0.749244      2.775528      6.891269
  C      -0.702912      1.255683      6.614001
  C      -2.264121      4.769721      6.871453
  C      -2.761859      5.312452      5.531643
  N      -3.789690      4.409784      5.027297
  H       0.253619      0.999129      6.130895
  H      -0.772533      0.671487      7.545494
  H      -0.191816      3.316831      6.115681
  H      -0.307215      3.013780      7.872304
  H      -3.170908      6.326079      5.656696
  H      -1.933540      5.353174      4.804016
  H      -2.989979      5.027706      7.653025
  H      -1.290618      5.196140      7.152275
  H      -5.005252      2.129226      8.381058
  H      -4.856400      3.693326      7.588116
  H      -2.644488      1.615255      8.061747
  H      -2.764106      3.195656      8.874798
  C      -2.285773     -0.047810      5.090326
  N      -3.335758      0.353207      4.348469
  C      -4.107230     -0.415962      3.489298
  O      -4.753301      0.100950      2.585612
  C      -4.132896     -1.895414      3.736301
  C      -4.159824     -2.760443      2.634082
  C      -4.221959     -4.137318      2.834392
  C      -4.282244     -4.667754      4.126920
  C      -4.279928     -3.793762      5.212900
  Br     -4.389819     -4.497810      6.984061
  C      -4.201560     -2.414053      5.038190
  C      -5.041231      4.822041      4.836300
  N      -5.507716      6.006651      5.169430
  C      -6.784007      6.275909      4.697717
  O      -7.283921      5.777189      3.680783
  C      -7.568368      7.261121      5.517637
  C      -8.815422      7.694118      5.048438
  C      -9.585527      8.570842      5.808801
  C      -9.133418      9.015565      7.054833
  C      -7.894684      8.567346      7.511319
  Br     -7.278599      9.135759      9.236384
  C      -7.100332      7.707619      6.761327
  C      -5.913174      1.950798      5.890136
  N      -6.905223      2.435340      6.601747
  C      -8.180279      2.348366      6.057338
  O      -8.580347      1.469627      5.287556
  C      -9.070787      3.479602      6.492339
  C      -8.762126      4.272985      7.607440
  C      -9.596306      5.328771      7.971375
  C     -10.729963      5.626841      7.212801
  C     -11.013871      4.839978      6.095878
  Br    -12.534144      5.285917      5.018442
  C     -10.214805      3.762990      5.731959
  H      -1.856206     -1.060252      5.081474
  H      -4.135315     -2.338592      1.629000
  H      -4.230936     -4.813771      1.978585
  H      -4.339945     -5.743829      4.286787
  H      -4.236574     -1.749008      5.901063
  H      -5.710666      4.081176      4.376557
  H      -9.168793      7.319363      4.087674
  H     -10.557810      8.904438      5.441780
  H      -9.735030      9.693046      7.660601
  H      -6.131771      7.366265      7.123288
  H      -6.085521      1.524164      4.888293
  H      -7.861145      4.050551      8.177023
  H      -9.356551      5.944388      8.840187
  H     -11.372883      6.466651      7.473822
  H     -10.442378      3.146646      4.862624
  N      -2.111416      2.820321      3.421674
  H      -1.598790      2.982300      2.551702
73
Coordinates from ORCA-job orca E -13783.659073472654
  N      -1.829474      0.985529      5.764278
  Mo     -2.994390      2.455905      4.870359
  N      -4.636838      2.070951      6.266965
  C      -4.451994      2.712584      7.571926
  C      -2.982094      2.682341      7.926602
  N      -2.152276      3.277731      6.823920
  C      -0.746060      2.772347      6.898477
  C      -0.712872      1.249456      6.635459
  C      -2.241612      4.781528      6.847688
  C      -2.728176      5.318431      5.501443
  N      -3.762559      4.422241      4.997401
  H       0.249458      0.975578      6.173502
  H      -0.806321      0.676083      7.571861
  H      -0.175532      3.301637      6.124015
  H      -0.310969      3.014647      7.881851
  H      -3.128568      6.336606      5.618338
  H      -1.896559      5.346778      4.777080
  H      -2.968326      5.053085      7.623772
  H      -1.265616      5.201100      7.130262
  H      -5.025712      2.191305      8.355112
  H      -4.847572      3.743817      7.546531
  H      -2.669108      1.640215      8.057008
  H      -2.770942      3.227002      8.860927
  C      -2.291381     -0.049485      5.103624
  N      -3.334434      0.354414      4.352992
  C      -4.100560     -0.415299      3.489637
  O      -4.733701      0.099707      2.576013
  C      -4.137064     -1.893322      3.744260
  C      -4.163053     -2.763196      2.645925
  C      -4.234412     -4.138926      2.852078
  C      -4.304230     -4.663526      4.146744
  C      -4.302559     -3.784604      5.228482
  Br     -4.425428     -4.480283      7.002474
  C      -4.215460     -2.405951      5.048017
  C      -5.013256      4.841458      4.814628
  N      -5.474982      6.023957      5.159089
  C      -6.751656      6.302665      4.692999
  O      -7.246528      5.829741      3.661502
  C      -7.539705      7.266118      5.533485
  C      -8.792734      7.695868      5.077667
  C      -9.566247      8.553459      5.856014
  C      -9.111223      8.982993      7.106024
  C      -7.865821      8.539061      7.548384
  Br     -7.243366      9.087225      9.277671
  C      -7.068674      7.697491      6.781446
  C      -5.912651      1.974813      5.868123
  N      -6.908752      2.460521      6.572407
  C      -8.181400      2.361081      6.023315
  O      -8.569055      1.482404      5.246591
  C      -9.090184      3.473470      6.468951
  C      -8.783356      4.278074      7.576176
  C      -9.636770      5.315140      7.949004
  C     -10.790664      5.582107      7.208600
  C     -11.073816      4.783107      6.100217
  Br    -12.627865      5.181676      5.051138
  C     -10.253312      3.725919      5.726282
  H      -1.870152     -1.065637      5.105025
  H      -4.130868     -2.345864      1.639126
  H      -4.242910     -4.819220      1.999361
  H      -4.368561     -5.738772      4.311421
  H      -4.251279     -1.737143      5.907843
  H      -5.686868      4.104367      4.354477
  H      -9.147699      7.334438      4.112331
  H     -10.543636      8.884005      5.500078
  H      -9.716037      9.644343      7.726226
  H      -6.095179      7.359694      7.133005
  H      -6.080949      1.537571      4.870989
  H      -7.868131      4.079133      8.132577
  H      -9.396791      5.941150      8.810272
  H     -11.449515      6.407132      7.477223
  H     -10.479349      3.099861      4.863280
  N      -2.083915      2.801325      3.415861
  H      -1.562923      2.956358      2.547367
73
Coordinates from ORCA-job orca E -13783.659136978460
  N      -1.824047      0.989353      5.764563
  Mo     -2.975763      2.462794      4.854700
  N      -4.631996      2.116824      6.237909
  C      -4.451040      2.774814      7.536001
  C      -2.984985      2.722841      7.907783
  N      -2.136026      3.295446      6.807694
  C      -0.736789      2.774070      6.898155
  C      -0.719943      1.248197      6.653016
  C      -2.207661      4.800301      6.817125
  C      -2.679658      5.330454      5.462750
  N      -3.720843      4.442584      4.957653
  H       0.247353      0.954493      6.214346
  H      -0.839463      0.688336      7.594563
  H      -0.154050      3.287733      6.122335
  H      -0.305979      3.022635      7.881974
  H      -3.069011      6.354130      5.569433
  H      -1.843550      5.343453      4.743198
  H      -2.934117      5.088057      7.587548
  H      -1.228086      5.210988      7.100989
  H      -5.044382      2.275652      8.318501
  H      -4.826683      3.812682      7.489504
  H      -2.691664      1.676329      8.049222
  H      -2.773424      3.271019      8.839753
  C      -2.295407     -0.048853      5.116732
  N      -3.331488      0.356447      4.357344
  C      -4.094136     -0.415938      3.493577
  O      -4.716481      0.094618      2.570137
  C      -4.147865     -1.891289      3.763734
  C      -4.182347     -2.771999      2.674324
  C      -4.274191     -4.145340      2.893261
  C      -4.354918     -4.656870      4.192224
  C      -4.343299     -3.766947      5.264819
  Br     -4.480836     -4.443946      7.044755
  C      -4.236312     -2.390502      5.071506
  C      -4.972461      4.867136      4.788675
  N      -5.432701      6.042972      5.154365
  C      -6.710806      6.329832      4.694627
  O      -7.192538      5.899104      3.639214
  C      -7.511088      7.252947      5.567818
  C      -8.772445      7.675710      5.129400
  C      -9.559366      8.492885      5.937117
  C      -9.109170      8.889802      7.198831
  C      -7.854685      8.454078      7.623720
  Br     -7.235536      8.959746      9.367065
  C      -7.044819      7.651614      6.828324
  C      -5.904398      2.011341      5.833155
  N      -6.906045      2.501320      6.526376
  C      -8.173835      2.390068      5.969066
  O      -8.543538      1.515820      5.180089
  C      -9.102778      3.483215      6.421554
  C      -8.802383      4.300511      7.519846
  C      -9.676440      5.317537      7.898428
  C     -10.847541      5.550229      7.174827
  C     -11.125588      4.737580      6.076067
  Br    -12.709960      5.082806      5.054672
  C     -10.281783      3.702666      5.694105
  H      -1.883753     -1.068618      5.131290
  H      -4.142747     -2.364677      1.664108
  H      -4.290526     -4.834208      2.047446
  H      -4.435399     -5.730515      4.367099
  H      -4.265796     -1.712891      5.924754
  H      -5.648341      4.135338      4.322720
  H      -9.123264      7.340174      4.153946
  H     -10.543469      8.817404      5.594794
  H      -9.724698      9.518472      7.841742
  H      -6.065165      7.319573      7.167225
  H      -6.064651      1.555310      4.842476
  H      -7.875292      4.127879      8.064350
  H      -9.439962      5.955599      8.750846
  H     -11.523500      6.359206      7.449053
  H     -10.500816      3.068659      4.836020
  N      -2.056565      2.785781      3.400992
  H      -1.530236      2.933544      2.533865
73
Coordinates from ORCA-job orca E -13783.659277841298
  N      -1.827471      0.986881      5.770517
  Mo     -2.968214      2.464267      4.851351
  N      -4.634208      2.137175      6.226417
  C      -4.456202      2.803270      7.520699
  C      -2.993482      2.740419      7.902673
  N      -2.134510      3.300514      6.804486
  C      -0.739193      2.770912      6.903465
  C      -0.731627      1.243967      6.669501
  C      -2.197308      4.805731      6.806062
  C      -2.662798      5.330776      5.447272
  N      -3.706773      4.446691      4.940676
  H       0.238366      0.939942      6.244293
  H      -0.865772      0.691988      7.613564
  H      -0.150795      3.274059      6.125123
  H      -0.308818      3.023483      7.886337
  H      -3.046144      6.357355      5.548367
  H      -1.824614      5.335887      4.730267
  H      -2.922641      5.102446      7.573781
  H      -1.216109      5.213643      7.088340
  H      -5.060640      2.316020      8.301894
  H      -4.820946      3.844461      7.461082
  H      -2.710624      1.692295      8.052903
  H      -2.784767      3.291918      8.833292
  C      -2.304082     -0.051611      5.127654
  N      -3.332733      0.357333      4.360673
  C      -4.091892     -0.413789      3.493176
  O      -4.702783      0.096551      2.561760
  C      -4.150232     -1.888913      3.763416
  C      -4.171027     -2.770054      2.673992
  C      -4.263559     -4.142391      2.892889
  C      -4.358959     -4.652637      4.191809
  C      -4.361610     -3.762490      5.264228
  Br     -4.518742     -4.437269      7.044014
  C      -4.254236     -2.387071      5.070908
  C      -4.958853      4.875414      4.780443
  N      -5.413388      6.051005      5.153094
  C      -6.691894      6.346130      4.697246
  O      -7.180561      5.915501      3.645891
  C      -7.486047      7.266764      5.577268
  C      -8.751005      7.688776      5.148277
  C      -9.531782      8.506118      5.961657
  C      -9.071287      8.905144      7.219370
  C      -7.813107      8.470278      7.634898
  Br     -7.179383      8.979437      9.371686
  C      -7.009880      7.666313      6.834303
  C      -5.906148      2.025819      5.821411
  N      -6.910886      2.512080      6.513231
  C      -8.178893      2.385424      5.958509
  O      -8.542830      1.503360      5.172804
  C      -9.120927      3.465997      6.413051
  C      -8.821242      4.300106      7.499496
  C      -9.711076      5.301682      7.882101
  C     -10.897918      5.502565      7.174549
  C     -11.176274      4.672383      6.088004
  Br    -12.787162      4.967641      5.092998
  C     -10.315846      3.652603      5.702058
  H      -1.898998     -1.073634      5.149549
  H      -4.118820     -2.363362      1.663685
  H      -4.268225     -4.831566      2.047245
  H      -4.439293     -5.725248      4.366553
  H      -4.294054     -1.709244      5.923582
  H      -5.638230      4.148407      4.312642
  H      -9.109040      7.352254      4.175279
  H     -10.518596      8.829957      5.626698
  H      -9.682100      9.533876      7.866872
  H      -6.027773      7.334594      7.166499
  H      -6.061225      1.562684      4.833366
  H      -7.882777      4.152226      8.031677
  H      -9.475059      5.953376      8.724656
  H     -11.587034      6.299249      7.452575
  H     -10.533916      3.004836      4.853391
  N      -2.038010      2.775935      3.402048
  H      -1.508493      2.910878      2.535650
73
Coordinates from ORCA-job orca E -13783.659408120377
  N      -1.831090      0.991369      5.777809
  Mo     -2.957278      2.470640      4.842497
  N      -4.633003      2.160253      6.209251
  C      -4.461826      2.835277      7.499530
  C      -3.003219      2.766401      7.893180
  N      -2.132457      3.313461      6.798001
  C      -0.741797      2.775033      6.908604
  C      -0.743985      1.247189      6.687846
  C      -2.183084      4.819210      6.789106
  C      -2.638432      5.337794      5.423838
  N      -3.684098      4.457319      4.915477
  H       0.228513      0.932832      6.275515
  H      -0.892967      0.703091      7.634369
  H      -0.147110      3.265980      6.127213
  H      -0.312472      3.032965      7.890488
  H      -3.014976      6.367711      5.516364
  H      -1.796275      5.332935      4.711583
  H      -2.907813      5.128001      7.552420
  H      -1.199417      5.221905      7.070305
  H      -5.076746      2.358398      8.278732
  H      -4.817445      3.879009      7.426958
  H      -2.728305      1.717986      8.055018
  H      -2.800723      3.323772      8.821819
  C      -2.311869     -0.049003      5.141200
  N      -3.330667      0.362297      4.362649
  C      -4.086632     -0.408253      3.492420
  O      -4.687904      0.101681      2.554198
  C      -4.156322     -1.881935      3.768112
  C      -4.169097     -2.767901      2.682614
  C      -4.271852     -4.138322      2.906740
  C      -4.385783     -4.641693      4.206859
  C      -4.396208     -3.746762      5.275188
  Br     -4.578018     -4.411658      7.056409
  C      -4.278830     -2.373217      5.076616
  C      -4.937174      4.888056      4.766129
  N      -5.388433      6.061038      5.150698
  C      -6.670065      6.359477      4.704451
  O      -7.165796      5.934722      3.654266
  C      -7.457957      7.272881      5.597700
  C      -8.725880      7.698151      5.180665
  C      -9.501687      8.507764      6.006441
  C      -9.032599      8.896558      7.264646
  C      -7.771288      8.458982      7.668164
  Br     -7.126053      8.955298      9.404542
  C      -6.973402      7.661652      6.855247
  C      -5.903095      2.041978      5.799081
  N      -6.912317      2.524163      6.487246
  C      -8.179764      2.378252      5.936586
  O      -8.533659      1.489200      5.153958
  C      -9.136469      3.445397      6.390265
  C      -8.836402      4.302419      7.459711
  C      -9.742662      5.288108      7.844728
  C     -10.947662      5.449500      7.157340
  C     -11.227117      4.596501      6.087780
  Br    -12.864543      4.835093      5.121853
  C     -10.348899      3.592587      5.699383
  H      -1.914118     -1.073538      5.173351
  H      -4.102139     -2.366127      1.671139
  H      -4.270058     -4.831248      2.064376
  H      -4.474392     -5.712604      4.385393
  H      -4.324510     -1.691256      5.925504
  H      -5.619840      4.165412      4.297032
  H      -9.089569      7.369448      4.206842
  H     -10.490648      8.834175      5.680547
  H      -9.639039      9.519899      7.921512
  H      -5.989201      7.326984      7.178549
  H      -6.050399      1.569815      4.814023
  H      -7.884742      4.185127      7.976346
  H      -9.506152      5.958348      8.673310
  H     -11.650815      6.233087      7.437924
  H     -10.567391      2.925815      4.865250
  N      -2.011219      2.763868      3.398355
  H      -1.476830      2.878768      2.531935
73
Coordinates from ORCA-job orca E -13783.659575675734
  N      -1.836772      1.000045      5.790885
  Mo     -2.942210      2.479517      4.832275
  N      -4.627182      2.188107      6.193945
  C      -4.464565      2.873692      7.478652
  C      -3.010079      2.803279      7.883034
  N      -2.128437      3.334040      6.789729
  C      -0.743209      2.785355      6.912834
  C      -0.757563      1.256258      6.710023
  C      -2.164363      4.840089      6.765813
  C      -2.608371      5.348079      5.392277
  N      -3.654420      4.469767      4.882738
  H       0.215707      0.931057      6.308382
  H      -0.919869      0.721029      7.659280
  H      -0.143217      3.260063      6.125398
  H      -0.312754      3.051565      7.891818
  H      -2.977409      6.381701      5.472127
  H      -1.760856      5.330607      4.686720
  H      -2.888086      5.164305      7.523695
  H      -1.177430      5.236594      7.043918
  H      -5.088097      2.406644      8.256715
  H      -4.813052      3.919373      7.393378
  H      -2.739749      1.756617      8.062079
  H      -2.816062      3.371720      8.807172
  C      -2.322428     -0.043662      5.162160
  N      -3.328736      0.370074      4.368886
  C      -4.084278     -0.398572      3.496658
  O      -4.673735      0.112382      2.550950
  C      -4.166591     -1.870796      3.775621
  C      -4.169736     -2.761150      2.693267
  C      -4.288243     -4.129770      2.920836
  C      -4.427904     -4.626399      4.220802
  C      -4.446509     -3.726957      5.285874
  Br     -4.663497     -4.382379      7.066335
  C      -4.313157     -2.355196      5.083990
  C      -4.909294      4.900512      4.746244
  N      -5.357828      6.070936      5.143910
  C      -6.643907      6.369906      4.710058
  O      -7.150688      5.947574      3.664416
  C      -7.424480      7.275466      5.619092
  C      -8.692594      7.710264      5.212584
  C      -9.465162      8.506538      6.054122
  C      -8.992249      8.871668      7.318327
  C      -7.729988      8.426571      7.710743
  Br     -7.080839      8.893380      9.453968
  C      -6.935113      7.642527      6.881228
  C      -5.896441      2.061456      5.777142
  N      -6.910238      2.539402      6.460854
  C      -8.177531      2.367775      5.918788
  O      -8.519935      1.462835      5.148484
  C      -9.151988      3.420983      6.366598
  C      -8.855341      4.304491      7.415645
  C      -9.779864      5.273323      7.800193
  C     -11.000657      5.390811      7.133069
  C     -11.277896      4.511748      6.083866
  Br    -12.937928      4.687775      5.146327
  C     -10.379896      3.524518      5.696252
  H      -1.934919     -1.071716      5.208434
  H      -4.083830     -2.364071      1.681393
  H      -4.279785     -4.826175      2.081092
  H      -4.530572     -5.695765      4.401357
  H      -4.365542     -1.668856      5.929249
  H      -5.595592      4.182964      4.275136
  H      -9.058620      7.396880      4.234657
  H     -10.454406      8.839873      5.736329
  H      -9.596281      9.483894      7.987756
  H      -5.950553      7.300299      7.195953
  H      -6.035028      1.580626      4.794959
  H      -7.892453      4.220974      7.916680
  H      -9.546097      5.964059      8.612462
  H     -11.719105      6.160656      7.413891
  H     -10.596133      2.836445      4.879250
  N      -1.978614      2.749761      3.395756
  H      -1.442924      2.830137      2.526668
73
Coordinates from ORCA-job orca E -13783.659717928567
  N      -1.842236      1.009817      5.804589
  Mo     -2.926107      2.487678      4.820637
  N      -4.623061      2.216760      6.172131
  C      -4.471291      2.913197      7.451889
  C      -3.021116      2.842273      7.870521
  N      -2.125912      3.355401      6.780505
  C      -0.746503      2.796155      6.921823
  C      -0.772045      1.265554      6.734570
  C      -2.148099      4.861190      6.740129
  C      -2.580018      5.358343      5.358364
  N      -3.627055      4.481581      4.848425
  H       0.203143      0.929100      6.346595
  H      -0.949840      0.739372      7.686055
  H      -0.136492      3.256700      6.133690
  H      -0.321098      3.069349      7.901083
  H      -2.943059      6.394927      5.425680
  H      -1.727247      5.328893      4.659611
  H      -2.872752      5.200402      7.490873
  H      -1.158620      5.251417      7.018282
  H      -5.103828      2.455439      8.228172
  H      -4.814387      3.959707      7.355019
  H      -2.756429      1.797080      8.065516
  H      -2.834682      3.421281      8.789777
  C      -2.330565     -0.036559      5.181958
  N      -3.323940      0.378146      4.372787
  C      -4.075635     -0.389233      3.496233
  O      -4.653311      0.122543      2.543560
  C      -4.175056     -1.858864      3.782023
  C      -4.171841     -2.755768      2.705141
  C      -4.308491     -4.121884      2.939086
  C      -4.473083     -4.608890      4.239493
  C      -4.497344     -3.702732      5.298756
  Br     -4.748790     -4.344874      7.078940
  C      -4.345719     -2.333465      5.090842
  C      -4.883494      4.911887      4.725660
  N      -5.329735      6.078922      5.136895
  C      -6.622917      6.375582      4.723032
  O      -7.142371      5.960640      3.680369
  C      -7.393786      7.272998      5.648864
  C      -8.667628      7.709141      5.260793
  C      -9.432439      8.494763      6.119044
  C      -8.945692      8.847183      7.381671
  C      -7.677698      8.401685      7.754934
  Br     -7.009832      8.853575      9.494371
  C      -6.890316      7.628460      6.908403
  C      -5.890463      2.077430      5.752174
  N      -6.909648      2.550269      6.430728
  C      -8.176071      2.352668      5.897046
  O      -8.505229      1.434225      5.138436
  C      -9.167452      3.392568      6.338724
  C      -8.874314      4.303049      7.365454
  C      -9.813870      5.259160      7.745841
  C     -11.047831      5.335590      7.097477
  C     -11.322731      4.429236      6.071129
  Br    -13.003468      4.544380      5.161950
  C     -10.408088      3.455298      5.687541
  H      -1.952895     -1.067462      5.242231
  H      -4.067266     -2.365914      1.692355
  H      -4.295506     -4.823505      2.103779
  H      -4.590986     -5.676142      4.424494
  H      -4.402961     -1.641069      5.930736
  H      -5.574261      4.197239      4.256580
  H      -9.043673      7.404151      4.283712
  H     -10.425946      8.829625      5.815788
  H      -9.543553      9.450650      8.064504
  H      -5.900614      7.286394      7.207512
  H      -6.021840      1.589435      4.772638
  H      -7.902161      4.250328      7.852453
  H      -9.582548      5.970477      8.540584
  H     -11.779441      6.093988      7.376234
  H     -10.622597      2.745156      4.889071
  N      -1.943713      2.736149      3.392192
  H      -1.405624      2.789275      2.523044
73
Coordinates from ORCA-job orca E -13783.659879599383
  N      -1.854261      1.023027      5.826105
  Mo     -2.913141      2.497329      4.814296
  N      -4.614579      2.239666      6.165231
  C      -4.471162      2.949208      7.438900
  C      -3.022372      2.888681      7.864180
  N      -2.120902      3.382385      6.771352
  C      -0.747197      2.811834      6.928374
  C      -0.786854      1.278734      6.759037
  C      -2.130743      4.887108      6.708400
  C      -2.552736      5.368782      5.317876
  N      -3.602971      4.492271      4.812476
  H       0.186906      0.929874      6.379181
  H      -0.974456      0.762955      7.714037
  H      -0.128063      3.256984      6.138635
  H      -0.325387      3.093261      7.906742
  H      -2.909503      6.408287      5.369022
  H      -1.696013      5.324057      4.625046
  H      -2.856959      5.242611      7.450593
  H      -1.139048      5.272145      6.985665
  H      -5.103690      2.496444      8.218159
  H      -4.818417      3.993736      7.334861
  H      -2.756347      1.847438      8.077659
  H      -2.839962      3.483636      8.774063
  C      -2.345390     -0.025827      5.208941
  N      -3.325204      0.389949      4.382795
  C      -4.075115     -0.373480      3.501042
  O      -4.638711      0.142372      2.542107
  C      -4.190137     -1.841094      3.787669
  C      -4.177137     -2.740639      2.712891
  C      -4.330873     -4.105118      2.947586
  C      -4.523039     -4.586869      4.245781
  C      -4.556384     -3.677757      5.302466
  Br     -4.847120     -4.313306      7.078026
  C      -4.387043     -2.310261      5.094536
  C      -4.860784      4.922736      4.702297
  N      -5.303495      6.088256      5.123335
  C      -6.601516      6.384962      4.726978
  O      -7.132519      5.979353      3.685962
  C      -7.364813      7.272960      5.669741
  C      -8.636895      7.722558      5.291613
  C      -9.396683      8.495485      6.165556
  C      -8.906892      8.819291      7.434475
  C      -7.640876      8.360863      7.797632
  Br     -6.968769      8.777019      9.544181
  C      -6.857517      7.602093      6.934312
  C      -5.880302      2.084282      5.743729
  N      -6.905701      2.553387      6.415050
  C      -8.170882      2.324604      5.893363
  O      -8.485978      1.387282      5.152458
  C      -9.178872      3.353935      6.324610
  C      -8.891151      4.292272      7.326891
  C      -9.841935      5.242377      7.694938
  C     -11.083650      5.282637      7.059428
  C     -11.354503      4.347481      6.058934
  Br    -13.048845      4.406676      5.171057
  C     -10.427067      3.380619      5.687639
  H      -1.980023     -1.060206      5.284976
  H      -4.052252     -2.354837      1.700992
  H      -4.310740     -4.808971      2.114086
  H      -4.655665     -5.652661      4.430668
  H      -4.451701     -1.614458      5.931229
  H      -5.557422      4.211381      4.236658
  H      -9.015077      7.437123      4.309994
  H     -10.388246      8.842402      5.870174
  H      -9.501502      9.411391      8.129948
  H      -5.867680      7.252265      7.222807
  H      -6.005758      1.590711      4.767143
  H      -7.913796      4.265212      7.804730
  H      -9.613896      5.974625      8.470778
  H     -11.825495      6.034035      7.330250
  H     -10.638829      2.648620      4.908749
  N      -1.907910      2.713081      3.396043
  H      -1.373523      2.718254      2.524061
73
Coordinates from ORCA-job orca E -13783.660047221409
  N      -1.863921      1.029550      5.841967
  Mo     -2.901634      2.502092      4.807658
  N      -4.613273      2.269753      6.148111
  C      -4.476270      2.992695      7.414938
  C      -3.030732      2.929185      7.853498
  N      -2.116935      3.401559      6.761443
  C      -0.749851      2.819442      6.936729
  C      -0.802820      1.284177      6.782328
  C      -2.114811      4.905141      6.680042
  C      -2.527209      5.374248      5.282256
  N      -3.582379      4.500229      4.780875
  H       0.171165      0.921493      6.416671
  H      -1.004813      0.780472      7.740800
  H      -0.118096      3.251361      6.149688
  H      -0.335840      3.106992      7.916744
  H      -2.877435      6.416534      5.321139
  H      -1.668321      5.315708      4.593457
  H      -2.841893      5.274999      7.414381
  H      -1.121527      5.285397      6.958294
  H      -5.116878      2.551497      8.194291
  H      -4.818458      4.037375      7.298210
  H      -2.773665      1.888882      8.082166
  H      -2.850079      3.534727      8.756457
  C      -2.358502     -0.020434      5.229989
  N      -3.327370      0.395982      4.390936
  C      -4.071451     -0.366338      3.503311
  O      -4.618598      0.149659      2.535238
  C      -4.198652     -1.831953      3.793272
  C      -4.177707     -2.734700      2.721358
  C      -4.342933     -4.097571      2.957976
  C      -4.554517     -4.574217      4.254957
  C      -4.595419     -3.661742      5.308398
  Br     -4.913922     -4.290609      7.081283
  C      -4.414547     -2.295892      5.098932
  C      -4.840675      4.933290      4.685086
  N      -5.277767      6.096760      5.116470
  C      -6.579118      6.398207      4.735410
  O      -7.117219      6.007998      3.692360
  C      -7.336581      7.272543      5.694902
  C      -8.612399      7.724320      5.332216
  C      -9.366107      8.485744      6.221242
  C      -8.866342      8.795784      7.489464
  C      -7.596965      8.334710      7.837270
  Br     -6.909888      8.732559      9.581803
  C      -6.819624      7.587337      6.959061
  C      -5.876921      2.097447      5.730399
  N      -6.906834      2.563935      6.396688
  C      -8.169998      2.310584      5.882640
  O      -8.473925      1.358344      5.156030
  C      -9.192612      3.328754      6.307224
  C      -8.911349      4.292301      7.286669
  C      -9.875353      5.232252      7.645943
  C     -11.125644      5.235910      7.025355
  C     -11.390358      4.274926      6.048561
  Br    -13.098084      4.280444      5.183698
  C     -10.448623      3.319101      5.685205
  H      -2.003964     -1.057543      5.319211
  H      -4.038080     -2.352995      1.709917
  H      -4.316873     -4.804037      2.126783
  H      -4.696312     -5.638761      4.441245
  H      -4.485680     -1.597022      5.932575
  H      -5.543282      4.224647      4.223942
  H      -8.998137      7.450024      4.350408
  H     -10.360381      8.835310      5.938280
  H      -9.456328      9.378725      8.196477
  H      -5.826375      7.236886      7.234462
  H      -5.999405      1.595743      4.757616
  H      -7.927948      4.292418      7.753440
  H      -9.651164      5.984727      8.403036
  H     -11.878362      5.978606      7.290110
  H     -10.655394      2.568421      4.922930
  N      -1.882968      2.695201      3.396432
  H      -1.350841      2.678226      2.522842
73
Coordinates from ORCA-job orca E -13783.660258694241
  N      -1.878195      1.033729      5.860082
  Mo     -2.898328      2.504896      4.810106
  N      -4.610200      2.289563      6.149551
  C      -4.472489      3.025495      7.408958
  C      -3.026559      2.964987      7.851615
  N      -2.109421      3.417666      6.752766
  C      -0.747009      2.826243      6.937968
  C      -0.812016      1.287740      6.795041
  C      -2.102864      4.919968      6.653252
  C      -2.513087      5.375301      5.250462
  N      -3.577166      4.502939      4.760923
  H       0.158349      0.912283      6.433038
  H      -1.015924      0.796764      7.759806
  H      -0.104810      3.249268      6.154682
  H      -0.339703      3.117697      7.919865
  H      -2.858080      6.419771      5.278653
  H      -1.657161      5.302298      4.559956
  H      -2.830957      5.300057      7.381147
  H      -1.109624      5.300577      6.931519
  H      -5.112091      2.590759      8.193052
  H      -4.818553      4.067629      7.283597
  H      -2.774119      1.926644      8.094387
  H      -2.841337      3.582614      8.744775
  C      -2.374749     -0.015267      5.249121
  N      -3.337279      0.402201      4.402815
  C      -4.075541     -0.357203      3.508032
  O      -4.608745      0.161750      2.534274
  C      -4.211231     -1.821986      3.796430
  C      -4.183074     -2.722916      2.723546
  C      -4.352569     -4.085629      2.956782
  C      -4.575908     -4.563810      4.251283
  C      -4.624693     -3.652947      5.305362
  Br     -4.961209     -4.284910      7.073728
  C      -4.439346     -2.287421      5.099609
  C      -4.835697      4.939503      4.678167
  N      -5.265103      6.103540      5.112114
  C      -6.565968      6.416266      4.740160
  O      -7.106474      6.044885      3.691924
  C      -7.318522      7.280325      5.711162
  C      -8.591266      7.745190      5.355488
  C      -9.338394      8.500945      6.255019
  C      -8.835427      8.792557      7.526049
  C      -7.569592      8.317042      7.867442
  Br     -6.875988      8.687065      9.615512
  C      -6.798911      7.574952      6.979327
  C      -5.870867      2.095065      5.742605
  N      -6.905469      2.559402      6.404790
  C      -8.165234      2.282221      5.897020
  O      -8.460303      1.313061      5.188485
  C      -9.198733      3.296197      6.306751
  C      -8.927590      4.282871      7.265197
  C      -9.901105      5.220494      7.603025
  C     -11.151946      5.198677      6.981952
  C     -11.406253      4.213049      6.027838
  Br    -13.115058      4.182719      5.162904
  C     -10.454982      3.259762      5.685198
  H      -2.030256     -1.054870      5.348095
  H      -4.033797     -2.340544      1.713752
  H      -4.320282     -4.790790      2.124912
  H      -4.720275     -5.628281      4.435350
  H      -4.517270     -1.589673      5.933398
  H      -5.545046      4.230981      4.226788
  H      -8.980855      7.486287      4.371149
  H     -10.330586      8.861372      5.978466
  H      -9.421321      9.370473      8.240527
  H      -5.807942      7.213943      7.248642
  H      -5.994254      1.584964      4.774530
  H      -7.943312      4.302919      7.731072
  H      -9.683168      5.991848      8.342552
  H     -11.911356      5.940110      7.229800
  H     -10.653491      2.493645      4.936172
  N      -1.873156      2.676222      3.400829
  H      -1.352233      2.636374      2.520849
73
Coordinates from ORCA-job orca E -13783.660435629821
  N      -1.890168      1.038829      5.873814
  Mo     -2.893204      2.509965      4.808182
  N      -4.609255      2.313848      6.142081
  C      -4.472922      3.061153      7.394845
  C      -3.029342      2.997316      7.844587
  N      -2.104656      3.432849      6.744421
  C      -0.747834      2.832506      6.939804
  C      -0.824594      1.292930      6.809482
  C      -2.088151      4.934190      6.631396
  C      -2.492294      5.379165      5.223345
  N      -3.562485      4.510718      4.739348
  H       0.143656      0.906075      6.454019
  H      -1.034737      0.813351      7.778698
  H      -0.098172      3.244475      6.156806
  H      -0.343216      3.128140      7.921593
  H      -2.829230      6.426550      5.242109
  H      -1.636690      5.292653      4.534266
  H      -2.815283      5.325873      7.353818
  H      -1.093454      5.311648      6.908804
  H      -5.117745      2.635917      8.179806
  H      -4.814213      4.103445      7.257455
  H      -2.784909      1.960189      8.100422
  H      -2.844310      3.623767      8.731505
  C      -2.389920     -0.010286      5.266096
  N      -3.345224      0.408362      4.412039
  C      -4.078064     -0.350192      3.512311
  O      -4.597888      0.168668      2.531269
  C      -4.221860     -1.813864      3.802004
  C      -4.188100     -2.716082      2.730380
  C      -4.364764     -4.077798      2.963501
  C      -4.600526     -4.553675      4.256679
  C      -4.654491     -3.641459      5.309429
  Br     -5.008109     -4.270362      7.075643
  C      -4.462307     -2.276981      5.103758
  C      -4.820610      4.951698      4.668819
  N      -5.242775      6.115462      5.108920
  C      -6.543348      6.437550      4.743742
  O      -7.086208      6.080149      3.692323
  C      -7.292061      7.289545      5.727639
  C      -8.564044      7.762988      5.380902
  C      -9.307614      8.507422      6.292771
  C      -8.802082      8.779251      7.567239
  C      -7.536717      8.295739      7.899622
  Br     -6.838171      8.639494      9.651011
  C      -6.769632      7.564502      6.999323
  C      -5.867457      2.102449      5.739575
  N      -6.906366      2.563561      6.398474
  C      -8.163025      2.263630      5.897202
  O      -8.447889      1.281415      5.201447
  C      -9.209000      3.269073      6.296174
  C      -8.947744      4.277070      7.235058
  C      -9.933978      5.205042      7.561599
  C     -11.188436      5.152175      6.949293
  C     -11.433020      4.144499      6.015618
  Br    -13.148047      4.069083      5.164970
  C     -10.468587      3.200858      5.683654
  H      -2.055062     -1.052018      5.374790
  H      -4.029029     -2.335401      1.721437
  H      -4.328351     -4.783962      2.132673
  H      -4.750390     -5.617317      4.440846
  H      -4.544783     -1.578057      5.936150
  H      -5.535344      4.245885      4.221908
  H      -8.956029      7.519787      4.393510
  H     -10.299184      8.874746      6.023373
  H      -9.385584      9.348190      8.290741
  H      -5.779468      7.196266      7.261874
  H      -5.987333      1.580019      4.777693
  H      -7.961264      4.321091      7.694160
  H      -9.723372      5.993260      8.285326
  H     -11.957871      5.885878      7.189050
  H     -10.659510      2.418260      4.949894
  N      -1.861087      2.661083      3.401348
  H      -1.348239      2.605266      2.517329
73
Coordinates from ORCA-job orca E -13783.660642738505
  N      -1.904131      1.040664      5.884295
  Mo     -2.896782      2.514969      4.812143
  N      -4.608094      2.326596      6.149925
  C      -4.466566      3.079686      7.398137
  C      -3.022623      3.015077      7.843593
  N      -2.099155      3.442308      6.737253
  C      -0.744356      2.838239      6.928816
  C      -0.827145      1.298124      6.806525
  C      -2.079533      4.943888      6.618990
  C      -2.485930      5.381913      5.209271
  N      -3.562596      4.516367      4.734780
  H       0.135442      0.905552      6.440970
  H      -1.026244      0.827271      7.782579
  H      -0.096220      3.244533      6.141587
  H      -0.334357      3.134637      7.908184
  H      -2.815242      6.431914      5.223638
  H      -1.634519      5.284645      4.516521
  H      -2.803728      5.340819      7.341080
  H      -1.083975      5.322472      6.891981
  H      -5.109858      2.657023      8.185637
  H      -4.807246      4.121382      7.253237
  H      -2.780661      1.979816      8.108970
  H      -2.836223      3.648423      8.725460
  C      -2.404753     -0.006935      5.274965
  N      -3.360061      0.413734      4.422224
  C      -4.088765     -0.344380      3.519180
  O      -4.602469      0.174221      2.534524
  C      -4.234744     -1.808098      3.808656
  C      -4.199364     -2.709386      2.736497
  C      -4.375840     -4.070856      2.968275
  C      -4.612473     -4.547825      4.261084
  C      -4.667998     -3.636671      5.314677
  Br     -5.021271     -4.266904      7.081113
  C      -4.476826     -2.272471      5.109735
  C      -4.820218      4.961621      4.671695
  N      -5.233645      6.128643      5.109340
  C      -6.530509      6.465122      4.742651
  O      -7.072404      6.118646      3.687526
  C      -7.274076      7.311957      5.734536
  C      -8.537557      7.808591      5.389326
  C      -9.276675      8.546138      6.310656
  C      -8.776372      8.787206      7.593865
  C      -7.518644      8.282267      7.924345
  Br     -6.826164      8.584842      9.686043
  C      -6.755790      7.557926      7.014414
  C      -5.864196      2.095970      5.755200
  N      -6.906171      2.551169      6.415272
  C      -8.158851      2.231761      5.917273
  O      -8.435815      1.236260      5.236341
  C      -9.213341      3.235646      6.294783
  C      -8.965550      4.258053      7.222190
  C      -9.960948      5.182846      7.528625
  C     -11.210137      5.113584      6.907282
  C     -11.440726      4.091349      5.984891
  Br    -13.147675      3.996002      5.119569
  C     -10.467890      3.149639      5.673190
  H      -2.076493     -1.050262      5.387269
  H      -4.038625     -2.327402      1.728183
  H      -4.338137     -4.776149      2.137054
  H      -4.761697     -5.611140      4.444830
  H      -4.561116     -1.574810      5.942816
  H      -5.538795      4.255310      4.232325
  H      -8.926835      7.589398      4.395145
  H     -10.261813      8.930959      6.042187
  H      -9.357476      9.350032      8.323960
  H      -5.773331      7.169347      7.277386
  H      -5.981768      1.557796      4.800974
  H      -7.983379      4.316362      7.687808
  H      -9.762137      5.981453      8.244743
  H     -11.985931      5.845385      7.131486
  H     -10.648042      2.355409      4.949480
  N      -1.872181      2.655399      3.398234
  H      -1.377755      2.594446      2.503798
73
Coordinates from ORCA-job orca E -13783.660817729235
  N      -1.915361      1.048731      5.897573
  Mo     -2.889962      2.522395      4.806563
  N      -4.607930      2.348195      6.137058
  C      -4.471777      3.110022      7.380741
  C      -3.030651      3.045193      7.833856
  N      -2.099216      3.459336      6.729440
  C      -0.749224      2.848349      6.932026
  C      -0.841123      1.308138      6.822715
  C      -2.069312      4.959787      6.599594
  C      -2.467775      5.388354      5.184484
  N      -3.546989      4.525204      4.711501
  H       0.120496      0.907135      6.463525
  H      -1.046892      0.846419      7.801671
  H      -0.096187      3.243161      6.143032
  H      -0.339892      3.149858      7.910071
  H      -2.789652      6.440708      5.189000
  H      -1.613870      5.279801      4.496519
  H      -2.793201      5.367570      7.316133
  H      -1.072046      5.334328      6.872012
  H      -5.120840      2.694452      8.167085
  H      -4.807511      4.151998      7.226082
  H      -2.793060      2.012076      8.111146
  H      -2.848617      3.686429      8.711096
  C      -2.417169      0.000160      5.290921
  N      -3.363856      0.421085      4.428296
  C      -4.086390     -0.337837      3.520949
  O      -4.588576      0.179095      2.529233
  C      -4.242537     -1.799707      3.814498
  C      -4.201783     -2.705466      2.746157
  C      -4.388547     -4.065044      2.981354
  C      -4.640624     -4.535567      4.273589
  C      -4.700977     -3.620018      5.323210
  Br     -5.074537     -4.241140      7.088643
  C      -4.500047     -2.257607      5.114894
  C      -4.804396      4.973534      4.657276
  N      -5.212052      6.139749      5.102585
  C      -6.510970      6.481181      4.747387
  O      -7.060187      6.145703      3.692457
  C      -7.246334      7.318669      5.753701
  C      -8.508507      7.826931      5.420293
  C      -9.241563      8.552533      6.355782
  C      -8.736222      8.769894      7.641445
  C      -7.479683      8.254299      7.959760
  Br     -6.780649      8.526310      9.723649
  C      -6.722903      7.541592      7.035587
  C      -5.862229      2.103288      5.744024
  N      -6.907917      2.553835      6.400991
  C      -8.158100      2.212141      5.911604
  O      -8.424096      1.203728      5.245578
  C      -9.224528      3.207371      6.278210
  C      -8.982706      4.252747      7.181825
  C      -9.988724      5.169244      7.479170
  C     -11.243090      5.067737      6.873083
  C     -11.468005      4.022802      5.974462
  Br    -13.182496      3.881762      5.131123
  C     -10.483926      3.089580      5.671905
  H      -2.097339     -1.044607      5.413260
  H      -4.029046     -2.328052      1.738076
  H      -4.347020     -4.773784      2.153182
  H      -4.798260     -5.597255      4.459854
  H      -4.588570     -1.556293      5.944504
  H      -5.527045      4.269787      4.220536
  H      -8.901377      7.625553      4.423688
  H     -10.225527      8.946520      6.096320
  H      -9.312699      9.323116      8.382486
  H      -5.741348      7.144537      7.289186
  H      -5.974507      1.553641      4.795790
  H      -7.996872      4.336170      7.635905
  H      -9.794774      5.985732      8.176664
  H     -12.027787      5.792069      7.090981
  H     -10.659453      2.276906      4.967691
  N      -1.855794      2.644226      3.397343
  H      -1.370836      2.569025      2.499172
73
Coordinates from ORCA-job orca E -13783.661002951805
  N      -1.924313      1.057546      5.905416
  Mo     -2.887587      2.531388      4.798659
  N      -4.610688      2.362921      6.123066
  C      -4.479946      3.129161      7.365286
  C      -3.040248      3.065725      7.822116
  N      -2.104038      3.475245      6.720855
  C      -0.755834      2.861845      6.928923
  C      -0.850469      1.322277      6.829959
  C      -2.066659      4.975018      6.585048
  C      -2.458750      5.397283      5.166038
  N      -3.538110      4.534836      4.693289
  H       0.110422      0.918702      6.471352
  H      -1.057490      0.865680      7.810809
  H      -0.104205      3.248479      6.134713
  H      -0.342601      3.168122      7.903749
  H      -2.773990      6.451462      5.162544
  H      -1.601041      5.280777      4.483864
  H      -2.790671      5.389460      7.298147
  H      -1.067842      5.345793      6.856791
  H      -5.133432      2.717138      8.149430
  H      -4.810220      4.172034      7.205729
  H      -2.801898      2.034410      8.105139
  H      -2.863799      3.710792      8.698124
  C      -2.424338      0.007637      5.299565
  N      -3.367339      0.426715      4.431398
  C      -4.082753     -0.337521      3.522455
  O      -4.578451      0.173027      2.523833
  C      -4.245618     -1.797020      3.825144
  C      -4.203550     -2.711059      2.763597
  C      -4.398248     -4.068185      3.007806
  C      -4.658774     -4.528237      4.302141
  C      -4.719587     -3.604775      5.344813
  Br     -5.102487     -4.210785      7.113580
  C      -4.511838     -2.244397      5.127430
  C      -4.794988      4.986200      4.640683
  N      -5.196817      6.152522      5.092017
  C      -6.497824      6.499055      4.750004
  O      -7.056359      6.178655      3.695004
  C      -7.221475      7.326540      5.774332
  C      -8.477642      7.858091      5.453798
  C      -9.201443      8.570085      6.406597
  C      -8.692575      8.749461      7.696924
  C      -7.442665      8.210974      8.001822
  Br     -6.741521      8.431813      9.771561
  C      -6.694905      7.512155      7.060227
  C      -5.864407      2.105691      5.730038
  N      -6.912771      2.552361      6.383637
  C      -8.161338      2.193535      5.899461
  O      -8.416570      1.175172      5.245782
  C      -9.236998      3.183492      6.253173
  C      -8.999205      4.245098      7.138849
  C     -10.012108      5.157365      7.428561
  C     -11.268599      5.034060      6.832390
  C     -11.489772      3.974123      5.950436
  Br    -13.206696      3.803863      5.119840
  C     -10.498689      3.045133      5.656872
  H      -2.108334     -1.037364      5.428646
  H      -4.024243     -2.341020      1.753935
  H      -4.356477     -4.783152      2.184835
  H      -4.823081     -5.587944      4.495284
  H      -4.601712     -1.537117      5.951898
  H      -5.519940      4.284018      4.205223
  H      -8.872531      7.685302      4.452548
  H     -10.180160      8.982746      6.156173
  H      -9.261664      9.291723      8.451685
  H      -5.717797      7.098436      7.304046
  H      -5.971717      1.542192      4.789131
  H      -8.012119      4.345733      7.586599
  H      -9.823417      5.985197      8.114077
  H     -12.059717      5.753099      7.045158
  H     -10.670514      2.217927      4.968862
  N      -1.853381      2.643632      3.388188
  H      -1.384610      2.567171      2.482094
73
Coordinates from ORCA-job orca E -13783.661163072127
  N      -1.933500      1.064742      5.913530
  Mo     -2.884681      2.536831      4.791897
  N      -4.613788      2.379983      6.108030
  C      -4.487962      3.154780      7.345684
  C      -3.050221      3.091638      7.810986
  N      -2.107140      3.489708      6.711732
  C      -0.762257      2.871444      6.929962
  C      -0.863211      1.331338      6.841705
  C      -2.063099      4.987946      6.564907
  C      -2.448195      5.400890      5.141229
  N      -3.530491      4.540041      4.670861
  H       0.097991      0.920820      6.492022
  H      -1.078224      0.882911      7.824614
  H      -0.105639      3.249224      6.135576
  H      -0.351641      3.183379      7.904147
  H      -2.758327      6.456456      5.128266
  H      -1.588304      5.274643      4.463732
  H      -2.788409      5.410480      7.271966
  H      -1.063688      5.356154      6.837907
  H      -5.146591      2.749680      8.129018
  H      -4.814712      4.197443      7.178481
  H      -2.815572      2.061865      8.102521
  H      -2.876135      3.742675      8.682932
  C      -2.433764      0.013879      5.310131
  N      -3.370822      0.431131      4.434348
  C      -4.078906     -0.336801      3.522644
  O      -4.563887      0.168917      2.516453
  C      -4.248544     -1.793884      3.832613
  C      -4.198149     -2.714486      2.777278
  C      -4.397695     -4.069509      3.028180
  C      -4.671445     -4.521026      4.322823
  C      -4.740759     -3.591127      5.358866
  Br     -5.142019     -4.185455      7.127560
  C      -4.528435     -2.232619      5.135013
  C      -4.786390      4.995782      4.625175
  N      -5.180443      6.161356      5.084186
  C      -6.481021      6.518811      4.753045
  O      -7.044827      6.219947      3.694652
  C      -7.196431      7.332818      5.794121
  C      -8.444532      7.888250      5.483557
  C      -9.159736      8.589700      6.450719
  C      -8.651154      8.732703      7.745713
  C      -7.410191      8.169102      8.040976
  Br     -6.709479      8.339374      9.816673
  C      -6.670198      7.481970      7.084809
  C      -5.865913      2.111084      5.718241
  N      -6.917155      2.556816      6.367563
  C      -8.163253      2.181427      5.888794
  O      -8.409168      1.153569      5.246509
  C      -9.248314      3.163600      6.235672
  C      -9.015804      4.243044      7.100508
  C     -10.037498      5.147797      7.383514
  C     -11.298034      4.997972      6.801724
  C     -11.514136      3.920015      5.940907
  Br    -13.236906      3.712084      5.131256
  C     -10.513709      2.999083      5.654082
  H      -2.123011     -1.031648      5.447585
  H      -4.008253     -2.351073      1.767154
  H      -4.349243     -4.789521      2.210113
  H      -4.839332     -5.579097      4.521132
  H      -4.625439     -1.520371      5.954208
  H      -5.515987      4.297593      4.190999
  H      -8.839420      7.743584      4.478001
  H     -10.131493      9.022530      6.207620
  H      -9.213708      9.266676      8.511311
  H      -5.699023      7.050494      7.320941
  H      -5.970963      1.538488      4.782297
  H      -8.026397      4.363313      7.538360
  H      -9.853438      5.989043      8.053443
  H     -12.096944      5.709528      7.010571
  H     -10.680752      2.157777      4.982084
  N      -1.846185      2.635991      3.384092
  H      -1.391072      2.553814      2.471280
73
Coordinates from ORCA-job orca E -13783.661346134353
  N      -1.937047      1.070869      5.912817
  Mo     -2.886029      2.541256      4.783379
  N      -4.619872      2.389572      6.091182
  C      -4.497741      3.170015      7.326168
  C      -3.061289      3.106401      7.799736
  N      -2.113088      3.499081      6.703787
  C      -0.769187      2.879232      6.928131
  C      -0.871687      1.338823      6.845923
  C      -2.065872      4.995960      6.550591
  C      -2.443945      5.403199      5.123497
  N      -3.528541      4.544101      4.653807
  H       0.091611      0.925443      6.506181
  H      -1.095257      0.894662      7.828873
  H      -0.110064      3.252354      6.133582
  H      -0.360750      3.196369      7.901491
  H      -2.751206      6.459389      5.103376
  H      -1.581255      5.270494      4.451009
  H      -2.794103      5.422392      7.252292
  H      -1.066738      5.362350      6.827022
  H      -5.160995      2.770317      8.108282
  H      -4.821315      4.212986      7.155656
  H      -2.828963      2.076662      8.093362
  H      -2.888818      3.758804      8.670741
  C      -2.437075      0.018773      5.312086
  N      -3.372463      0.432219      4.432369
  C      -4.074010     -0.343147      3.521319
  O      -4.550385      0.153620      2.506690
  C      -4.245137     -1.797665      3.842415
  C      -4.187687     -2.727519      2.795367
  C      -4.387891     -4.080520      3.056898
  C      -4.669131     -4.521086      4.353826
  C      -4.745480     -3.582116      5.381109
  Br     -5.157231     -4.161623      7.152425
  C      -4.532695     -2.225227      5.146946
  C      -4.782583      5.005655      4.611081
  N      -5.168691      6.170600      5.077483
  C      -6.467385      6.541023      4.756703
  O      -7.036057      6.267226      3.694680
  C      -7.174734      7.340096      5.814597
  C      -8.410526      7.926830      5.513109
  C      -9.116585      8.617353      6.495047
  C      -8.612661      8.715485      7.795805
  C      -7.385413      8.118590      8.082150
  Br     -6.691862      8.223001      9.865692
  C      -6.653204      7.444045      7.111339
  C      -5.871160      2.116143      5.702174
  N      -6.924546      2.565156      6.345521
  C      -8.169433      2.180066      5.869141
  O      -8.409051      1.145525      5.234802
  C      -9.260579      3.156791      6.212683
  C      -9.030023      4.253250      7.055967
  C     -10.058867      5.151153      7.336003
  C     -11.325218      4.975688      6.773112
  C     -11.539218      3.881158      5.933368
  Br    -13.269844      3.637701      5.150169
  C     -10.530877      2.968418      5.649139
  H      -2.126158     -1.026220      5.454215
  H      -3.991834     -2.372901      1.783217
  H      -4.333864     -4.807603      2.245256
  H      -4.836929     -5.577743      4.560373
  H      -4.635315     -1.506150      5.959687
  H      -5.516565      4.313405      4.174515
  H      -8.803029      7.816655      4.502226
  H     -10.077651      9.076886      6.258353
  H      -9.167991      9.240748      8.572654
  H      -5.691400      6.988798      7.341461
  H      -5.975185      1.536160      4.770756
  H      -8.037333      4.391639      7.481639
  H      -9.876869      6.005732      7.989514
  H     -12.131160      5.679554      6.980776
  H     -10.694826      2.114498      4.992250
  N      -1.851455      2.636627      3.372664
  H      -1.415753      2.560042      2.449537
73
Coordinates from ORCA-job orca E -13783.661513887611
  N      -1.938731      1.076671      5.909675
  Mo     -2.886719      2.544524      4.775670
  N      -4.624424      2.397041      6.075773
  C      -4.505345      3.182303      7.308137
  C      -3.071129      3.117917      7.790100
  N      -2.117290      3.505793      6.697609
  C      -0.774904      2.884546      6.927977
  C      -0.879191      1.344125      6.849102
  C      -2.067220      5.001684      6.539364
  C      -2.437894      5.404177      5.109080
  N      -3.525476      4.548029      4.639746
  H       0.086321      0.928170      6.519482
  H      -1.111557      0.903063      7.831453
  H      -0.112076      3.254620      6.135058
  H      -0.370067      3.205180      7.901655
  H      -2.742290      6.461070      5.083156
  H      -1.573446      5.265043      4.440416
  H      -2.798491      5.431761      7.235527
  H      -1.068807      5.367051      6.819870
  H      -5.172680      2.786848      8.089029
  H      -4.827317      4.225141      7.134255
  H      -2.842401      2.088139      8.086612
  H      -2.900967      3.771830      8.660196
  C      -2.439205      0.023282      5.311699
  N      -3.372592      0.433524      4.428635
  C      -4.069373     -0.347682      3.518365
  O      -4.539606      0.142313      2.497642
  C      -4.243420     -1.799626      3.849610
  C      -4.179308     -2.737995      2.810487
  C      -4.380990     -4.088951      3.081662
  C      -4.670734     -4.519016      4.380268
  C      -4.754099     -3.571516      5.399262
  Br     -5.178451     -4.137070      7.172130
  C      -4.539567     -2.216483      5.155696
  C      -4.777551      5.015209      4.603680
  N      -5.155811      6.179304      5.077837
  C      -6.452046      6.562264      4.764967
  O      -7.024440      6.308103      3.700449
  C      -7.152765      7.350776      5.834840
  C      -8.378691      7.961593      5.540802
  C      -9.077694      8.643788      6.533755
  C      -8.577709      8.708552      7.838001
  C      -7.360784      8.087102      8.116773
  Br     -6.671656      8.143396      9.903778
  C      -6.634770      7.421285      7.135296
  C      -5.874538      2.120810      5.686327
  N      -6.930150      2.572173      6.324861
  C      -8.173238      2.176086      5.852710
  O      -8.406776      1.134834      5.226609
  C      -9.270880      3.146715      6.192555
  C      -9.044769      4.260584      7.013444
  C     -10.081930      5.150007      7.289765
  C     -11.352823      4.947904      6.745976
  C     -11.562438      3.835703      5.928917
  Br    -13.300250      3.553500      5.174523
  C     -10.545239      2.932153      5.647637
  H      -2.127727     -1.021099      5.457230
  H      -3.976740     -2.392010      1.796671
  H      -4.321376     -4.822642      2.276326
  H      -4.839318     -5.574176      4.594202
  H      -4.647220     -1.490716      5.961880
  H      -5.516867      4.329497      4.165632
  H      -8.770001      7.877126      4.526824
  H     -10.030404      9.123361      6.302696
  H      -9.127530      9.227146      8.623164
  H      -5.680406      6.947853      7.360574
  H      -5.976403      1.535995      4.757717
  H      -8.049559      4.418427      7.426056
  H      -9.903350      6.018062      7.925818
  H     -12.166125      5.643860      6.951543
  H     -10.705181      2.065231      5.006947
  N      -1.856577      2.637230      3.361850
  H      -1.441993      2.567024      2.428169
73
Coordinates from ORCA-job orca E -13783.661692763715
  N      -1.936522      1.079917      5.899980
  Mo     -2.889708      2.545458      4.769068
  N      -4.629268      2.395400      6.063702
  C      -4.511711      3.180419      7.296466
  C      -3.079554      3.115254      7.784027
  N      -2.121985      3.504926      6.695654
  C      -0.779794      2.884880      6.927904
  C      -0.882567      1.344945      6.845792
  C      -2.072149      5.000683      6.538690
  C      -2.436024      5.403072      5.106917
  N      -3.526311      4.550843      4.635864
  H       0.085528      0.930082      6.522800
  H      -1.121014      0.902027      7.825913
  H      -0.115075      3.256784      6.137338
  H      -0.377828      3.205512      7.902728
  H      -2.738276      6.460573      5.079124
  H      -1.570364      5.260318      4.440788
  H      -2.807279      5.430614      7.230796
  H      -1.075338      5.366512      6.824491
  H      -5.181095      2.784667      8.075703
  H      -4.834608      4.223033      7.123357
  H      -2.852820      2.084714      8.079692
  H      -2.912621      3.767636      8.655803
  C      -2.437314      0.025292      5.303862
  N      -3.371268      0.432829      4.420851
  C      -4.066264     -0.353792      3.513164
  O      -4.534018      0.129916      2.488316
  C      -4.239288     -1.803822      3.853296
  C      -4.168681     -2.749692      2.821220
  C      -4.368486     -4.099200      3.101402
  C      -4.663329     -4.520140      4.401928
  C      -4.753613     -3.565026      5.413630
  Br     -5.185717     -4.118718      7.188387
  C      -4.540432     -2.211427      5.161251
  C      -4.776102      5.023714      4.605753
  N      -5.147471      6.187456      5.086571
  C      -6.440277      6.582133      4.777192
  O      -7.015367      6.339637      3.711441
  C      -7.135610      7.367409      5.852791
  C      -8.353210      7.996508      5.562147
  C      -9.047552      8.674956      6.561105
  C      -8.551984      8.717858      7.867961
  C      -7.342999      8.078992      8.143069
  Br     -6.657591      8.105029      9.931662
  C      -6.621238      7.416503      7.155891
  C      -5.879073      2.122318      5.671749
  N      -6.935565      2.575582      6.307569
  C      -8.177870      2.170908      5.841811
  O      -8.408797      1.121759      5.227591
  C      -9.279256      3.139005      6.176169
  C      -9.053891      4.273998      6.968014
  C     -10.096801      5.158333      7.238909
  C     -11.373599      4.929070      6.719890
  C     -11.582321      3.795699      5.931791
  Br    -13.328817      3.475183      5.212921
  C     -10.558927      2.898027      5.654543
  H      -2.121644     -1.018058      5.448419
  H      -3.962090     -2.411409      1.805529
  H      -4.303337     -4.838864      2.301838
  H      -4.830160     -5.574198      4.622637
  H      -4.652194     -1.479486      5.961453
  H      -5.520829      4.344930      4.165758
  H      -8.743341      7.929191      4.546293
  H      -9.993470      9.169140      6.332618
  H      -9.098009      9.233414      8.657711
  H      -5.672981      6.929813      7.379421
  H      -5.978751      1.537318      4.743217
  H      -8.054768      4.452237      7.362669
  H      -9.918108      6.043348      7.851533
  H     -12.192120      5.620023      6.921444
  H     -10.718398      2.015448      5.035287
  N      -1.870363      2.643005      3.347766
  H      -1.483496      2.587098      2.401159
73
Coordinates from ORCA-job orca E -13783.661874504583
  N      -1.932565      1.081871      5.886954
  Mo     -2.894916      2.544364      4.764661
  N      -4.633003      2.388231      6.057422
  C      -4.515718      3.170067      7.292251
  C      -3.085012      3.104638      7.781475
  N      -2.125840      3.500002      6.696584
  C      -0.783156      2.882840      6.927559
  C      -0.882465      1.343654      6.837625
  C      -2.078055      4.996320      6.545043
  C      -2.436470      5.401371      5.113056
  N      -3.529938      4.553911      4.640374
  H       0.087526      0.932022      6.516108
  H      -1.122890      0.895627      7.814999
  H      -0.118046      3.260221      6.139783
  H      -0.383007      3.200010      7.904324
  H      -2.735512      6.459880      5.086114
  H      -1.570944      5.255710      4.447498
  H      -2.817009      5.423802      7.234515
  H      -1.083390      5.363824      6.836228
  H      -5.184909      2.770464      8.069962
  H      -4.841608      4.212075      7.121581
  H      -2.858498      2.073394      8.075032
  H      -2.921670      3.754451      8.655946
  C      -2.433395      0.025687      5.292441
  N      -3.370238      0.430949      4.412612
  C      -4.066114     -0.359516      3.508400
  O      -4.537529      0.120341      2.483443
  C      -4.235814     -1.808515      3.854650
  C      -4.161690     -2.759348      2.827326
  C      -4.358346     -4.108173      3.113953
  C      -4.654099     -4.523032      4.416133
  C      -4.748169     -3.562764      5.423104
  Br     -5.182000     -4.108807      7.199622
  C      -4.537428     -2.210031      5.164351
  C      -4.777571      5.031571      4.617787
  N      -5.142956      6.195258      5.104604
  C      -6.432351      6.599418      4.795433
  O      -7.009374      6.360640      3.729515
  C      -7.122622      7.389077      5.871074
  C      -8.335566      8.027484      5.580822
  C      -9.026381      8.707949      6.580774
  C      -8.531984      8.744848      7.888347
  C      -7.326621      8.098453      8.162794
  Br     -6.640272      8.118030      9.950539
  C      -6.608613      7.432883      7.174691
  C      -5.882643      2.119450      5.661297
  N      -6.939761      2.572206      6.296075
  C      -8.181131      2.158047      5.838797
  O      -8.410032      1.099451      5.240211
  C      -9.285311      3.126403      6.162447
  C      -9.059407      4.283275      6.921742
  C     -10.105704      5.166359      7.182893
  C     -11.387235      4.913397      6.687942
  C     -11.596383      3.757912      5.932336
  Br    -13.349941      3.404521      5.247241
  C     -10.569515      2.861674      5.663531
  H      -2.111634     -1.016313      5.432959
  H      -3.954525     -2.426366      1.810013
  H      -4.290099     -4.851991      2.318451
  H      -4.818689     -5.576523      4.641557
  H      -4.650704     -1.473558      5.960276
  H      -5.527642      4.358477      4.177986
  H      -8.726551      7.965574      4.564897
  H      -9.968965      9.208703      6.352716
  H      -9.075406      9.261613      8.678995
  H      -5.663768      6.939613      7.398268
  H      -5.978790      1.536695      4.731244
  H      -8.056905      4.479838      7.298190
  H      -9.925440      6.068962      7.768841
  H     -12.208728      5.602920      6.881906
  H     -10.730481      1.962491      5.069269
  N      -1.892265      2.650106      3.332192
  H      -1.539286      2.613426      2.371416
73
Coordinates from ORCA-job orca E -13783.662040305071
  N      -1.929604      1.081753      5.875840
  Mo     -2.900908      2.541825      4.763856
  N      -4.636336      2.381743      6.056019
  C      -4.518908      3.158809      7.294032
  C      -3.088875      3.091864      7.782216
  N      -2.129231      3.493515      6.700158
  C      -0.786106      2.878939      6.929033
  C      -0.881971      1.340592      6.830078
  C      -2.083253      4.990517      6.555466
  C      -2.437025      5.399066      5.123779
  N      -3.534116      4.557104      4.649390
  H       0.088877      0.932271      6.506579
  H      -1.122202      0.886731      7.804772
  H      -0.121280      3.262590      6.143909
  H      -0.386555      3.190297      7.907983
  H      -2.730227      6.459290      5.098229
  H      -1.572051      5.249523      4.458328
  H      -2.825529      5.415082      7.243201
  H      -1.090645      5.359705      6.851504
  H      -5.187627      2.754334      8.069725
  H      -4.846502      4.200666      7.125823
  H      -2.862173      2.059880      8.073073
  H      -2.928376      3.738486      8.659848
  C      -2.430989      0.024111      5.282891
  N      -3.371938      0.428310      4.408099
  C      -4.070355     -0.363611      3.506870
  O      -4.548506      0.115267      2.484581
  C      -4.234203     -1.813071      3.854040
  C      -4.158007     -2.764528      2.827506
  C      -4.349354     -4.113876      3.115705
  C      -4.642198     -4.528213      4.418568
  C      -4.738459     -3.567248      5.424949
  Br     -5.167958     -4.112973      7.202391
  C      -4.532569     -2.214237      5.164586
  C      -4.779492      5.039511      4.632937
  N      -5.139314      6.203889      5.124197
  C      -6.425785      6.615302      4.813218
  O      -7.004426      6.374774      3.747947
  C      -7.111239      7.413052      5.886212
  C      -8.323883      8.051783      5.595568
  C      -9.011834      8.737638      6.593704
  C      -8.514125      8.781333      7.899984
  C      -7.308082      8.136297      8.174744
  Br     -6.615687      8.168551      9.959845
  C      -6.593794      7.463976      7.188306
  C      -5.886151      2.115900      5.656380
  N      -6.943464      2.565461      6.291970
  C      -8.183826      2.141171      5.843869
  O      -8.410039      1.071729      5.264404
  C      -9.291214      3.110448      6.152996
  C      -9.063653      4.290033      6.876013
  C     -10.112098      5.174269      7.124411
  C     -11.398030      4.898988      6.654345
  C     -11.608726      3.720669      5.934829
  Br    -13.368553      3.337205      5.283461
  C     -10.579735      2.823289      5.677867
  H      -2.103716     -1.016837      5.418683
  H      -3.953076     -2.432239      1.809530
  H      -4.279214     -4.858517      2.321154
  H      -4.803011     -5.581984      4.645005
  H      -4.646462     -1.476696      5.959458
  H      -5.534219      4.370436      4.194971
  H      -8.717651      7.985971      4.581064
  H      -9.954665      9.237701      6.365426
  H      -9.055397      9.302341      8.689287
  H      -5.649264      6.970367      7.411964
  H      -5.979129      1.536246      4.724147
  H      -8.057837      4.503701      7.233549
  H      -9.929633      6.094887      7.680949
  H     -12.221410      5.588729      6.839152
  H     -10.743301      1.906190      5.112532
  N      -1.917335      2.655665      3.318693
  H      -1.599541      2.641775      2.345398
73
Coordinates from ORCA-job orca E -13783.662182565309
  N      -1.929483      1.081125      5.871237
  Mo     -2.906183      2.539443      4.766352
  N      -4.639379      2.382888      6.056595
  C      -4.522582      3.156984      7.296889
  C      -3.092830      3.086615      7.784730
  N      -2.132044      3.490276      6.704719
  C      -0.789448      2.875878      6.933753
  C      -0.884094      1.338061      6.828849
  C      -2.085087      4.987435      6.563610
  C      -2.433383      5.397422      5.131318
  N      -3.534641      4.561460      4.655935
  H       0.086943      0.930765      6.504311
  H      -1.125577      0.880816      7.801558
  H      -0.123760      3.263304      6.151139
  H      -0.390680      3.182106      7.914723
  H      -2.718099      6.459924      5.104682
  H      -1.568428      5.241246      4.467223
  H      -2.830083      5.411336      7.248910
  H      -1.093834      5.356707      6.864060
  H      -5.192544      2.750324      8.070191
  H      -4.848375      4.199437      7.129094
  H      -2.867438      2.053857      8.073903
  H      -2.933221      3.730858      8.664501
  C      -2.432537      0.022183      5.280907
  N      -3.377063      0.425975      4.410409
  C      -4.077584     -0.365295      3.510312
  O      -4.562973      0.115340      2.492263
  C      -4.235800     -1.816282      3.853780
  C      -4.159997     -2.764389      2.824211
  C      -4.346632     -4.115216      3.108956
  C      -4.634312     -4.534214      4.411312
  C      -4.729926     -3.576649      5.421006
  Br     -5.151751     -4.128809      7.198109
  C      -4.528668     -2.222290      5.164010
  C      -4.777545      5.049067      4.643662
  N      -5.131737      6.214500      5.138249
  C      -6.416534      6.630971      4.827182
  O      -6.997491      6.388943      3.763134
  C      -7.096903      7.435374      5.898534
  C      -8.313687      8.067272      5.610377
  C      -8.998047      8.758479      6.607169
  C      -8.491504      8.815763      7.909541
  C      -7.280823      8.178590      8.181744
  Br     -6.576123      8.233042      9.961495
  C      -6.571225      7.499656      7.196597
  C      -5.888881      2.115483      5.654798
  N      -6.947256      2.560263      6.290852
  C      -8.185899      2.123922      5.850666
  O      -8.406321      1.043905      5.289430
  C      -9.298822      3.091385      6.144967
  C      -9.072334      4.291833      6.832894
  C     -10.124681      5.174959      7.068870
  C     -11.413685      4.877002      6.622142
  C     -11.623170      3.677994      5.937418
  Br    -13.387278      3.263832      5.317667
  C     -10.590257      2.781678      5.692745
  H      -2.102644     -1.018206      5.414388
  H      -3.959111     -2.428473      1.806700
  H      -4.276869     -4.857455      2.312148
  H      -4.791902     -5.589080      4.635053
  H      -4.641992     -1.487118      5.961146
  H      -5.536109      4.383029      4.207748
  H      -8.713262      7.991965      4.598900
  H      -9.944581      9.252426      6.381019
  H      -9.029896      9.341407      8.697703
  H      -5.623649      7.010856      7.417620
  H      -5.979214      1.536544      4.721835
  H      -8.064253      4.522256      7.173162
  H      -9.942904      6.111599      7.597857
  H     -12.240233      5.565010      6.798909
  H     -10.753653      1.847965      5.155516
  N      -1.939481      2.657025      3.310158
  H      -1.651724      2.665228      2.327644
73
Coordinates from ORCA-job orca E -13783.662311536187
  N      -1.930416      1.078381      5.870287
  Mo     -2.911756      2.536196      4.771973
  N      -4.642968      2.387529      6.058975
  C      -4.527328      3.157919      7.302005
  C      -3.097504      3.082570      7.790277
  N      -2.135732      3.486595      6.711761
  C      -0.793614      2.871320      6.941148
  C      -0.887262      1.333851      6.831234
  C      -2.086975      4.983589      6.572900
  C      -2.429315      5.394694      5.139785
  N      -3.534594      4.564978      4.663052
  H       0.084088      0.927340      6.506599
  H      -1.130977      0.873712      7.801906
  H      -0.126855      3.261787      6.160926
  H      -0.395768      3.172989      7.923958
  H      -2.704887      6.459506      5.111037
  H      -1.563577      5.231423      4.478198
  H      -2.834745      5.407174      7.255461
  H      -1.096844      5.352120      6.878011
  H      -5.199638      2.749993      8.072321
  H      -4.849232      4.201693      7.135413
  H      -2.874323      2.048537      8.076722
  H      -2.936980      3.723766      8.672213
  C      -2.436072      0.018651      5.283028
  N      -3.384608      0.422690      4.417153
  C      -4.087579     -0.366050      3.517128
  O      -4.581043      0.118589      2.504865
  C      -4.238393     -1.819694      3.852443
  C      -4.163411     -2.760710      2.816474
  C      -4.343111     -4.113986      3.093435
  C      -4.622814     -4.542645      4.394315
  C      -4.717465     -3.592320      5.410622
  Br     -5.127914     -4.157507      7.186247
  C      -4.523296     -2.235531      5.161325
  C      -4.774639      5.058344      4.651899
  N      -5.123154      6.225651      5.147721
  C      -6.406753      6.646158      4.836929
  O      -6.991018      6.401549      3.775045
  C      -7.081732      7.457947      5.906298
  C      -8.304914      8.078824      5.621534
  C      -8.985228      8.776984      6.616347
  C      -8.467085      8.853198      7.913163
  C      -7.249639      8.227861      8.181910
  Br     -6.529550      8.311363      9.954798
  C      -6.545080      7.541097      7.198725
  C      -5.892211      2.117279      5.656608
  N      -6.951621      2.556047      6.293917
  C      -8.188643      2.108226      5.860393
  O      -8.402591      1.017962      5.317240
  C      -9.307380      3.072943      6.140580
  C      -9.082575      4.294441      6.791096
  C     -10.139545      5.175330      7.015242
  C     -11.431584      4.853331      6.594244
  C     -11.639198      3.633869      5.946253
  Br    -13.407136      3.187478      5.360623
  C     -10.601444      2.739926      5.713638
  H      -2.104742     -1.021474      5.415055
  H      -3.968595     -2.417117      1.800382
  H      -4.274051     -4.850747      2.291590
  H      -4.775160     -5.599419      4.612167
  H      -4.636326     -1.506106      5.963647
  H      -5.536365      4.395249      4.216967
  H      -8.711821      7.989128      4.614265
  H      -9.937144      9.261707      6.393048
  H      -9.002031      9.385108      8.699523
  H      -5.592598      7.060472      7.416159
  H      -5.981586      1.539602      4.722740
  H      -8.072212      4.542353      7.112317
  H      -9.959309      6.128074      7.515186
  H     -12.261888      5.538655      6.763716
  H     -10.763394      1.789815      5.205359
  N      -1.960763      2.657766      3.305506
  H      -1.699559      2.689494      2.316170
73
Coordinates from ORCA-job orca E -13783.662425017612
  N      -1.932900      1.075791      5.873222
  Mo     -2.917698      2.533606      4.778850
  N      -4.646957      2.396229      6.061599
  C      -4.532990      3.163890      7.306591
  C      -3.103254      3.083326      7.796803
  N      -2.140312      3.485213      6.718973
  C      -0.798720      2.868274      6.949035
  C      -0.892040      1.330942      6.837251
  C      -2.088512      4.981779      6.579497
  C      -2.423918      5.392456      5.144785
  N      -3.532888      4.568734      4.667053
  H       0.080027      0.924514      6.514656
  H      -1.139168      0.869735      7.806541
  H      -0.130950      3.259786      6.170189
  H      -0.401739      3.168011      7.932850
  H      -2.690842      6.459320      5.112356
  H      -1.556670      5.221685      4.486880
  H      -2.839123      5.406329      7.258364
  H      -1.099242      5.348727      6.889426
  H      -5.208566      2.756397      8.073994
  H      -4.849844      4.209292      7.141144
  H      -2.883139      2.047924      8.080962
  H      -2.940633      3.722176      8.680004
  C      -2.441674      0.015485      5.289833
  N      -3.393926      0.419533      4.427853
  C      -4.098710     -0.365989      3.527090
  O      -4.599755      0.123554      2.520916
  C      -4.242196     -1.822594      3.852548
  C      -4.169571     -2.754967      2.808735
  C      -4.342760     -4.110956      3.075866
  C      -4.613143     -4.551335      4.374779
  C      -4.705189     -3.609789      5.399088
  Br     -5.102796     -4.190635      7.172603
  C      -4.517850     -2.250203      5.159514
  C      -4.770073      5.067781      4.655874
  N      -5.112891      6.237038      5.152159
  C      -6.395550      6.661612      4.843267
  O      -6.984217      6.416591      3.783931
  C      -7.064249      7.479290      5.912332
  C      -8.293359      8.090805      5.632926
  C      -8.968260      8.795120      6.627235
  C      -8.437992      8.887196      7.917998
  C      -7.214448      8.271730      8.181239
  Br     -6.478419      8.378734      9.946762
  C      -6.515701      7.578674      7.198583
  C      -5.895300      2.120720      5.659026
  N      -6.956613      2.553069      6.296669
  C      -8.191377      2.093732      5.867454
  O      -8.397363      0.994881      5.338901
  C      -9.316497      3.054064      6.135475
  C      -9.095848      4.294864      6.749896
  C     -10.158876      5.170983      6.963909
  C     -11.452915      4.824274      6.568715
  C     -11.656317      3.586210      5.956075
  Br    -13.426665      3.106023      5.405270
  C     -10.612051      2.697309      5.733781
  H      -2.110435     -1.024563      5.422289
  H      -3.982061     -2.402015      1.794537
  H      -4.275840     -4.840814      2.267638
  H      -4.760402     -5.610338      4.585271
  H      -4.629758     -1.528126      5.968489
  H      -5.534612      4.407833      4.220976
  H      -8.708055      7.988157      4.630120
  H      -9.924995      9.272254      6.408292
  H      -8.968461      9.424602      8.703672
  H      -5.558428      7.105438      7.410936
  H      -5.983593      1.542894      4.725110
  H      -8.084070      4.560961      7.051920
  H      -9.982215      6.138495      7.435893
  H     -12.288106      5.505124      6.732125
  H     -10.769895      1.732613      5.252362
  N      -1.979248      2.657058      3.304193
  H      -1.740369      2.711003      2.310047
73
Coordinates from ORCA-job orca E -13783.662519809397
  N      -1.934566      1.072438      5.876241
  Mo     -2.924383      2.529988      4.785933
  N      -4.652459      2.404786      6.063034
  C      -4.540512      3.168167      7.310469
  C      -3.111502      3.081950      7.803965
  N      -2.147195      3.482306      6.727288
  C      -0.805526      2.864892      6.957565
  C      -0.896961      1.327789      6.844021
  C      -2.093117      4.978616      6.587613
  C      -2.420945      5.389455      5.151351
  N      -3.532358      4.571059      4.671435
  H       0.076854      0.922909      6.524843
  H      -1.147779      0.864925      7.811620
  H      -0.137260      3.257775      6.179802
  H      -0.409798      3.164161      7.942060
  H      -2.681534      6.457793      5.116086
  H      -1.551534      5.213344      4.497601
  H      -2.847199      5.403496      7.262411
  H      -1.105074      5.344220      6.903182
  H      -5.219808      2.760701      8.074450
  H      -4.852676      4.215386      7.147915
  H      -2.894919      2.044881      8.085167
  H      -2.947095      3.718014      8.688719
  C      -2.445980      0.011517      5.296578
  N      -3.402126      0.415063      4.438668
  C      -4.108398     -0.367003      3.536771
  O      -4.616978      0.127846      2.536965
  C      -4.244067     -1.826675      3.851681
  C      -4.173746     -2.749885      2.799717
  C      -4.339542     -4.108622      3.056494
  C      -4.599917     -4.561345      4.353277
  C      -4.689738     -3.629026      5.385825
  Br     -5.073937     -4.226334      7.156929
  C      -4.510033     -2.266623      5.156485
  C      -4.766886      5.074854      4.659875
  N      -5.104709      6.246030      5.156155
  C      -6.386466      6.674351      4.849855
  O      -6.981281      6.427028      3.794454
  C      -7.047378      7.500243      5.917862
  C      -8.282651      8.102395      5.645038
  C      -8.949774      8.815620      6.638449
  C      -8.405002      8.926392      7.921659
  C      -7.175371      8.320349      8.178222
  Br     -6.419463      8.453786      9.933931
  C      -6.484383      7.618508      7.196435
  C      -5.899985      2.124148      5.660801
  N      -6.963062      2.549108      6.299695
  C      -8.195741      2.079322      5.874494
  O      -8.394694      0.972491      5.360116
  C      -9.326190      3.035875      6.131341
  C      -9.109623      4.295760      6.707434
  C     -10.178232      5.167509      6.910865
  C     -11.474139      4.796592      6.543979
  C     -11.673619      3.539950      5.969160
  Br    -13.446222      3.026434      5.456838
  C     -10.623197      2.655789      5.756903
  H      -2.114156     -1.028303      5.429420
  H      -3.994038     -2.387145      1.787561
  H      -4.274563     -4.831056      2.241590
  H      -4.741163     -5.622625      4.555978
  H      -4.620859     -1.552508      5.972475
  H      -5.534192      4.418197      4.224708
  H      -8.707132      7.984672      4.647943
  H      -9.911221      9.285581      6.424605
  H      -8.928839      9.471738      8.706359
  H      -5.521968      7.153175      7.402911
  H      -5.987147      1.547781      4.726025
  H      -8.096625      4.579979      6.988318
  H     -10.004696      6.149899      7.352497
  H     -12.313932      5.473388      6.700695
  H     -10.777102      1.676723      5.303601
  N      -1.997603      2.659639      3.303952
  H      -1.778063      2.737886      2.306836
73
Coordinates from ORCA-job orca E -13783.662597821323
  N      -1.938288      1.073040      5.881333
  Mo     -2.929453      2.529774      4.789654
  N      -4.657917      2.415911      6.060783
  C      -4.548257      3.178130      7.308846
  C      -3.120708      3.088357      7.806673
  N      -2.153669      3.484888      6.731116
  C      -0.812703      2.866477      6.963586
  C      -0.904364      1.329588      6.852701
  C      -2.095823      4.980839      6.588331
  C      -2.414719      5.389388      5.149450
  N      -3.528333      4.575541      4.667833
  H       0.071042      0.924170      6.539033
  H      -1.159774      0.868280      7.819916
  H      -0.143514      3.257488      6.185649
  H      -0.417924      3.168124      7.947729
  H      -2.669973      6.458905      5.110233
  H      -1.543167      5.207370      4.500234
  H      -2.853279      5.408383      7.257616
  H      -1.108912      5.344869      6.909335
  H      -5.231218      2.772095      8.070300
  H      -4.857028      4.226463      7.146851
  H      -2.907811      2.050541      8.088283
  H      -2.955928      3.724420      8.691265
  C      -2.451835      0.011284      5.305309
  N      -3.409248      0.413815      4.448416
  C      -4.115118     -0.366308      3.544954
  O      -4.626074      0.131604      2.547854
  C      -4.247789     -1.827543      3.854114
  C      -4.179225     -2.745794      2.797763
  C      -4.342458     -4.105916      3.048655
  C      -4.598227     -4.565267      4.344068
  C      -4.686296     -3.637863      5.381031
  Br     -5.064548     -4.243902      7.150518
  C      -4.509369     -2.274050      5.157464
  C      -4.760873      5.083210      4.658466
  N      -5.093850      6.255155      5.156649
  C      -6.375273      6.687431      4.856385
  O      -6.977551      6.441180      3.804960
  C      -7.027041      7.516957      5.927628
  C      -8.266820      8.115004      5.665627
  C      -8.924059      8.832465      6.662666
  C      -8.364540      8.952250      7.938682
  C      -7.130635      8.350277      8.184298
  Br     -6.353896      8.495892      9.929886
  C      -6.449477      7.643861      7.198978
  C      -5.903569      2.127853      5.657659
  N      -6.969749      2.546208      6.295223
  C      -8.198811      2.064836      5.872059
  O      -8.388733      0.952049      5.367163
  C      -9.336305      3.014909      6.120042
  C      -9.127952      4.290092      6.664461
  C     -10.204191      5.154303      6.859103
  C     -11.499833      4.759980      6.516376
  C     -11.691314      3.488100      5.973402
  Br    -13.463650      2.941116      5.496206
  C     -10.632849      2.611780      5.768694
  H      -2.121237     -1.028571      5.441049
  H      -4.003252     -2.377771      1.786888
  H      -4.279080     -4.824212      2.230047
  H      -4.737293     -5.627729      4.542329
  H      -4.619277     -1.564420      5.977390
  H      -5.531411      4.429724      4.224214
  H      -8.701928      7.990347      4.673874
  H      -9.888776      9.299602      6.457094
  H      -8.880033      9.501715      8.725993
  H      -5.483390      7.182311      7.396843
  H      -5.986721      1.550212      4.723210
  H      -8.115477      4.592304      6.927911
  H     -10.036970      6.148530      7.275755
  H     -12.345790      5.430274      6.667814
  H     -10.779845      1.621116      5.339021
  N      -2.007559      2.659189      3.304394
  H      -1.802254      2.756886      2.305861
73
Coordinates from ORCA-job orca E -13783.662672272068
  N      -1.938815      1.071738      5.882984
  Mo     -2.935970      2.526829      4.793855
  N      -4.664990      2.424748      6.058585
  C      -4.557300      3.181847      7.309135
  C      -3.131380      3.086737      7.810865
  N      -2.162028      3.482596      6.737484
  C      -0.820795      2.865379      6.970830
  C      -0.909692      1.328993      6.859062
  C      -2.102354      4.978640      6.595614
  C      -2.412207      5.388148      5.155173
  N      -3.526687      4.578416      4.669857
  H       0.068195      0.925737      6.550254
  H      -1.168900      0.866289      7.824680
  H      -0.151497      3.257370      6.193416
  H      -0.427367      3.168224      7.955126
  H      -2.664211      6.458472      5.115181
  H      -1.538348      5.203609      4.509864
  H      -2.863975      5.406369      7.260007
  H      -1.117314      5.341715      6.923447
  H      -5.243795      2.775062      8.067075
  H      -4.863266      4.231580      7.150663
  H      -2.922178      2.047554      8.090502
  H      -2.966616      3.720717      8.696909
  C      -2.453716      0.008761      5.310195
  N      -3.413910      0.409843      4.456330
  C      -4.120632     -0.367735      3.551635
  O      -4.636294      0.134181      2.558979
  C      -4.248987     -1.830828      3.853848
  C      -4.183572     -2.743108      2.792233
  C      -4.342643     -4.104905      3.036429
  C      -4.591042     -4.572083      4.330537
  C      -4.676224     -3.650544      5.372851
  Br     -5.044809     -4.267019      7.140855
  C      -4.503483     -2.285131      5.155846
  C      -4.757630      5.088254      4.662907
  N      -5.087450      6.261072      5.162256
  C      -6.369993      6.693381      4.869106
  O      -6.983137      6.439138      3.825617
  C      -7.010193      7.533858      5.939191
  C      -8.260545      8.116098      5.691287
  C      -8.904979      8.844837      6.688550
  C      -8.321112      8.993674      7.950580
  C      -7.076705      8.407760      8.181906
  Br     -6.265387      8.593144      9.907827
  C      -6.408794      7.688801      7.196519
  C      -5.909344      2.131393      5.654534
  N      -6.977998      2.541033      6.292931
  C      -8.203836      2.049469      5.872012
  O      -8.386133      0.930712      5.377644
  C      -9.347239      2.994619      6.109944
  C      -9.146156      4.284291      6.621935
  C     -10.228741      5.142968      6.805156
  C     -11.523740      4.728290      6.485270
  C     -11.708162      3.441807      5.975215
  Br    -13.479654      2.866140      5.530539
  C     -10.643183      2.571038      5.780356
  H      -2.121867     -1.030671      5.446631
  H      -4.013376     -2.368954      1.782614
  H      -4.281757     -4.818324      2.213475
  H      -4.726679     -5.635926      4.523643
  H      -4.611311     -1.580722      5.980419
  H      -5.531098      4.437098      4.230398
  H      -8.713501      7.970061      4.710379
  H      -9.877997      9.299448      6.493872
  H      -8.825625      9.553169      8.737916
  H      -5.434530      7.239958      7.383216
  H      -5.988425      1.556668      4.718209
  H      -8.134405      4.602501      6.868929
  H     -10.066842      6.148649      7.195544
  H     -12.374667      5.394016      6.628808
  H     -10.784631      1.569202      5.375200
  N      -2.021744      2.665890      3.304431
  H      -1.827801      2.785474      2.305926
73
Coordinates from ORCA-job orca E -13783.662740183632
  N      -1.942972      1.075474      5.887170
  Mo     -2.939352      2.528985      4.793240
  N      -4.671296      2.435804      6.051609
  C      -4.566255      3.191801      7.302838
  C      -3.142209      3.095101      7.808830
  N      -2.169044      3.487687      6.737534
  C      -0.828820      2.870175      6.975102
  C      -0.918425      1.334115      6.867272
  C      -2.105962      4.983465      6.593033
  C      -2.405753      5.390608      5.149869
  N      -3.521431      4.584062      4.661858
  H       0.060917      0.929434      6.564790
  H      -1.182464      0.874215      7.832952
  H      -0.158151      3.259186      6.197344
  H      -0.436501      3.176146      7.958815
  H      -2.654262      6.461680      5.106996
  H      -1.529809      5.201548      4.508934
  H      -2.871576      5.414136      7.250919
  H      -1.122650      5.345601      6.927110
  H      -5.255612      2.785246      8.058428
  H      -4.871306      4.241858      7.144499
  H      -2.935875      2.055957      8.090758
  H      -2.979330      3.730461      8.694264
  C      -2.458650      0.011389      5.316812
  N      -3.417531      0.411181      4.461362
  C      -4.122632     -0.365922      3.554879
  O      -4.635067      0.136688      2.560913
  C      -4.253282     -1.828795      3.856915
  C      -4.187896     -2.741138      2.795396
  C      -4.348603     -4.102759      3.039476
  C      -4.598646     -4.569667      4.333419
  C      -4.683962     -3.647954      5.375592
  Br     -5.054914     -4.264001      7.143327
  C      -4.509626     -2.282792      5.158673
  C      -4.751474      5.095707      4.659915
  N      -5.077450      6.268442      5.162367
  C      -6.362119      6.701048      4.880951
  O      -6.987692      6.443268      3.845481
  C      -6.989132      7.545671      5.955944
  C      -8.247996      8.117612      5.727364
  C      -8.878213      8.850208      6.730929
  C      -8.270781      9.015096      7.979871
  C      -7.017738      8.440281      8.191617
  Br     -6.172056      8.648425      9.898205
  C      -6.364646      7.715793      7.200101
  C      -5.913504      2.134720      5.646524
  N      -6.985670      2.536623      6.283574
  C      -8.206810      2.032661      5.864092
  O      -8.379209      0.908809      5.377667
  C      -9.358457      2.969947      6.093215
  C      -9.168396      4.270953      6.579975
  C     -10.259299      5.121357      6.752533
  C     -11.551618      4.686905      6.449348
  C     -11.725089      3.388716      5.965498
  Br    -13.493032      2.784997      5.545518
  C     -10.651825      2.526207      5.779588
  H      -2.128254     -1.028086      5.457060
  H      -4.016322     -2.367183      1.785908
  H      -4.287708     -4.816149      2.216533
  H      -4.735456     -5.633347      4.526354
  H      -4.617581     -1.578494      5.983287
  H      -5.528376      4.446631      4.230521
  H      -8.718921      7.961050      4.756534
  H      -9.858002      9.296516      6.551234
  H      -8.763475      9.578367      8.771948
  H      -5.383890      7.275266      7.372023
  H      -5.986535      1.560082      4.709743
  H      -8.159017      4.605119      6.815558
  H     -10.105828      6.136102      7.122461
  H     -12.408897      5.345989      6.585418
  H     -10.784872      1.515543      5.394117
  N      -2.023388      2.666592      3.304534
  H      -1.835492      2.801094      2.306757
73
Coordinates from ORCA-job orca E -13783.662800760383
  N      -1.944443      1.078470      5.886521
  Mo     -2.944024      2.530114      4.792006
  N      -4.677784      2.443361      6.046085
  C      -4.574009      3.195624      7.299525
  C      -3.150881      3.096703      7.807244
  N      -2.175623      3.489505      6.737924
  C      -0.835426      2.873362      6.977553
  C      -0.923730      1.337701      6.870052
  C      -2.111556      4.985345      6.594692
  C      -2.402697      5.392941      5.150086
  N      -3.519148      4.589011      4.659111
  H       0.056895      0.933194      6.571472
  H      -1.190808      0.878268      7.835098
  H      -0.164524      3.262291      6.199915
  H      -0.443749      3.180273      7.961179
  H      -2.648643      6.464608      5.106851
  H      -1.525342      5.201395      4.512031
  H      -2.881570      5.416224      7.247300
  H      -1.130582      5.347541      6.935511
  H      -5.264725      2.787004      8.052846
  H      -4.879071      4.246043      7.143456
  H      -2.946108      2.057209      8.088958
  H      -2.989464      3.731451      8.693480
  C      -2.460051      0.013123      5.317740
  N      -3.419282      0.411394      4.462715
  C      -4.124012     -0.365924      3.555639
  O      -4.634535      0.136612      2.560708
  C      -4.256762     -1.828191      3.859072
  C      -4.193567     -2.741748      2.798406
  C      -4.355790     -4.102970      3.044045
  C      -4.605261     -4.568116      4.338736
  C      -4.688520     -3.645102      5.380085
  Br     -5.058586     -4.258874      7.148832
  C      -4.512607     -2.280444      5.161593
  C      -4.748880      5.101069      4.662989
  N      -5.072010      6.273606      5.168349
  C      -6.360291      6.703310      4.900074
  O      -7.000221      6.436473      3.875493
  C      -6.972399      7.556304      5.977161
  C      -8.244321      8.107753      5.771779
  C      -8.858355      8.849192      6.778849
  C      -8.220366      9.046236      8.007740
  C      -6.954182      8.492710      8.196087
  Br     -6.063839      8.747421      9.873250
  C      -6.318339      7.757136      7.201381
  C      -5.918372      2.136710      5.639717
  N      -6.993588      2.530356      6.276330
  C      -8.209946      2.015942      5.856261
  O      -8.372871      0.887912      5.376254
  C      -9.369365      2.946328      6.075051
  C      -9.189961      4.256410      6.541070
  C     -10.288282      5.099851      6.700953
  C     -11.577219      4.649503      6.407064
  C     -11.739822      3.342007      5.944639
  Br    -13.503150      2.716618      5.537603
  C     -10.659344      2.486226      5.770527
  H      -2.128890     -1.025970      5.459379
  H      -4.022251     -2.369245      1.788319
  H      -4.296521     -4.817368      2.221798
  H      -4.743255     -5.631444      4.532785
  H      -4.619005     -1.575111      5.985573
  H      -5.528654      4.453174      4.237098
  H      -8.738395      7.929816      4.816251
  H      -9.848633      9.278944      6.617236
  H      -8.699255      9.618089      8.802103
  H      -5.327585      7.332769      7.355413
  H      -5.985897      1.564922      4.700824
  H      -8.183468      4.603855      6.770099
  H     -10.142864      6.121950      7.054048
  H     -12.440133      5.303149      6.533149
  H     -10.784400      1.468512      5.401543
  N      -2.028970      2.672866      3.303311
  H      -1.843892      2.822139      2.307180
73
Coordinates from ORCA-job orca E -13783.662852531630
  N      -1.946723      1.082232      5.884161
  Mo     -2.947579      2.532352      4.788818
  N      -4.682941      2.449090      6.040103
  C      -4.580676      3.198331      7.295565
  C      -3.157893      3.098748      7.804243
  N      -2.181121      3.492143      6.736555
  C      -0.841070      2.876894      6.978337
  C      -0.928561      1.341420      6.870200
  C      -2.116787      4.987903      6.594684
  C      -2.401049      5.395509      5.148926
  N      -3.518594      4.593706      4.656151
  H       0.052590      0.936580      6.573870
  H      -1.197961      0.882235      7.834660
  H      -0.169466      3.266244      6.201491
  H      -0.450299      3.183357      7.962448
  H      -2.643818      6.467822      5.104590
  H      -1.522824      5.200638      4.513217
  H      -2.890733      5.418629      7.242743
  H      -1.138001      5.350652      6.941173
  H      -5.271810      2.787037      8.047059
  H      -4.886298      4.248805      7.141177
  H      -2.953448      2.059290      8.086153
  H      -2.998159      3.733169      8.691116
  C      -2.461717      0.015913      5.316025
  N      -3.420371      0.413028      4.460377
  C      -4.124365     -0.365620      3.553284
  O      -4.631376      0.135253      2.555793
  C      -4.260710     -1.826471      3.860826
  C      -4.198363     -2.743550      2.803080
  C      -4.363646     -4.103670      3.052916
  C      -4.615429     -4.563981      4.348850
  C      -4.697800     -3.637449      5.387272
  Br     -5.070771     -4.244866      7.157569
  C      -4.518765     -2.273936      5.164649
  C      -4.748162      5.106111      4.667536
  N      -5.067370      6.278084      5.177078
  C      -6.359331      6.705774      4.922595
  O      -7.013306      6.431381      3.908894
  C      -6.955972      7.566803      6.001896
  C      -8.239300      8.099202      5.819289
  C      -8.837522      8.849983      6.828970
  C      -8.170915      9.078096      8.037096
  C      -6.893319      8.544174      8.202626
  Br     -5.962245      8.843793      9.850069
  C      -6.274300      7.797476      7.205563
  C      -5.922260      2.137059      5.633714
  N      -7.000141      2.522928      6.270469
  C      -8.211736      1.997362      5.850669
  O      -8.364814      0.864370      5.378941
  C      -9.379265      2.920771      6.057173
  C      -9.210968      4.238910      6.504351
  C     -10.316577      5.075505      6.650545
  C     -11.601467      4.610490      6.361501
  C     -11.752665      3.294972      5.918096
  Br    -13.510470      2.649862      5.517430
  C     -10.665034      2.445703      5.758088
  H      -2.129942     -1.022848      5.458857
  H      -4.025024     -2.374913      1.791914
  H      -4.304971     -4.820984      2.233101
  H      -4.755917     -5.626387      4.546076
  H      -4.624636     -1.565487      5.986066
  H      -5.530838      4.459674      4.244832
  H      -8.755011      7.900699      4.879403
  H      -9.837089      9.264201      6.685282
  H      -8.636420      9.659020      8.832868
  H      -5.274796      7.388003      7.341805
  H      -5.985764      1.567941      4.693093
  H      -8.207845      4.598532      6.729343
  H     -10.179710      6.103673      6.989565
  H     -12.470062      5.258601      6.476641
  H     -10.781583      1.421639      5.404317
  N      -2.031981      2.678818      3.300825
  H      -1.847911      2.841092      2.306539
73
Coordinates from ORCA-job orca E -13783.662893254517
  N      -1.948438      1.086101      5.878160
  Mo     -2.951289      2.535302      4.784466
  N      -4.686655      2.452977      6.035187
  C      -4.585535      3.199555      7.292555
  C      -3.162355      3.099358      7.801222
  N      -2.185266      3.494290      6.734542
  C      -0.845044      2.879669      6.976634
  C      -0.931331      1.344354      6.865680
  C      -2.120999      4.989951      6.594922
  C      -2.400190      5.398164      5.148532
  N      -3.519371      4.598888      4.654986
  H       0.049940      0.939913      6.569425
  H      -1.201894      0.883842      7.829105
  H      -0.173135      3.271000      6.201045
  H      -0.454988      3.184017      7.961691
  H      -2.638749      6.471290      5.102828
  H      -1.521559      5.199365      4.514604
  H      -2.898089      5.419791      7.239804
  H      -1.143970      5.353044      6.945977
  H      -5.276511      2.785595      8.042642
  H      -4.891032      4.250265      7.139930
  H      -2.957517      2.059708      8.082099
  H      -3.003387      3.732539      8.689179
  C      -2.462767      0.019075      5.310301
  N      -3.421745      0.415231      4.454837
  C      -4.125945     -0.365848      3.549452
  O      -4.630990      0.131931      2.549507
  C      -4.265893     -1.824811      3.863478
  C      -4.205207     -2.747094      2.810151
  C      -4.374013     -4.105577      3.066436
  C      -4.627751     -4.558905      4.364387
  C      -4.708376     -3.627268      5.398370
  Br     -5.083763     -4.225328      7.171263
  C      -4.525784     -2.265337      5.169360
  C      -4.748605      5.112072      4.674737
  N      -5.063098      6.282942      5.190037
  C      -6.358480      6.709607      4.948923
  O      -7.025732      6.428932      3.945824
  C      -6.940066      7.578386      6.030078
  C      -8.233952      8.091858      5.869358
  C      -8.817503      8.852669      6.880146
  C      -8.124260      9.112069      8.066672
  C      -6.836377      8.597078      8.210465
  Br     -5.869947      8.939364      9.829113
  C      -6.232868      7.839110      7.212573
  C      -5.924711      2.136539      5.628177
  N      -7.005458      2.515855      6.263827
  C      -8.211979      1.979829      5.842515
  O      -8.354391      0.842323      5.378185
  C      -9.387852      2.895390      6.036443
  C      -9.231624      4.220333      6.467728
  C     -10.344850      5.049143      6.600868
  C     -11.625075      4.569497      6.313779
  C     -11.763926      3.247465      5.886173
  Br    -13.515230      2.582832      5.487547
  C     -10.668594      2.405831      5.740038
  H      -2.129760     -1.019273      5.453327
  H      -4.030153     -2.383965      1.797313
  H      -4.316555     -4.827138      2.250255
  H      -4.771078     -5.619977      4.566622
  H      -4.630571     -1.552348      5.986980
  H      -5.534011      4.467767      4.253940
  H      -8.769371      7.871990      4.945420
  H      -9.825593      9.251526      6.753816
  H      -8.577374      9.702412      8.862705
  H      -5.225505      7.443915      7.331605
  H      -5.984961      1.568898      4.686322
  H      -8.232161      4.591848      6.690150
  H     -10.217528      6.082378      6.928394
  H     -12.499766      5.211152      6.418513
  H     -10.775404      1.376468      5.398969
  N      -2.036717      2.686870      3.296557
  H      -1.852490      2.860822      2.304344
73
Coordinates from ORCA-job orca E -13783.662920304987
  N      -1.952259      1.090999      5.872375
  Mo     -2.953559      2.539656      4.778506
  N      -4.689367      2.456632      6.028991
  C      -4.590524      3.202452      7.287014
  C      -3.167319      3.103035      7.796837
  N      -2.189507      3.498322      6.731107
  C      -0.849556      2.883390      6.974280
  C      -0.935279      1.348097      6.860724
  C      -2.124675      4.993786      6.592069
  C      -2.400202      5.401043      5.144757
  N      -3.521221      4.604039      4.651360
  H       0.045875      0.943924      6.563755
  H      -1.206552      0.886229      7.823291
  H      -0.176410      3.276383      6.200608
  H      -0.461211      3.185588      7.960738
  H      -2.634222      6.474963      5.096105
  H      -1.521164      5.197404      4.512882
  H      -2.903865      5.423776      7.234349
  H      -1.148658      5.356894      6.945981
  H      -5.281620      2.786789      8.035969
  H      -4.895658      4.253198      7.134811
  H      -2.961914      2.063562      8.078001
  H      -3.009520      3.736086      8.685085
  C      -2.465510      0.023711      5.303908
  N      -3.423224      0.419270      4.446889
  C      -4.126890     -0.365142      3.543610
  O      -4.627843      0.128063      2.539425
  C      -4.271274     -1.821698      3.866015
  C      -4.210349     -2.750832      2.818686
  C      -4.384278     -4.107085      3.083082
  C      -4.643341     -4.551230      4.383125
  C      -4.723882     -3.612862      5.411044
  Br     -5.106336     -4.198512      7.186489
  C      -4.536217     -2.253024      5.173993
  C      -4.749976      5.118394      4.680593
  N      -5.058590      6.287783      5.203108
  C      -6.356307      6.716063      4.974745
  O      -7.035709      6.432695      3.980824
  C      -6.922913      7.591149      6.058653
  C      -8.223201      8.093854      5.916276
  C      -8.792563      8.864004      6.928167
  C      -8.077842      9.144319      8.097077
  C      -6.784044      8.639513      8.222910
  Br     -5.790629      9.008964      9.819367
  C      -6.194959      7.872182      7.223766
  C      -5.926051      2.134424      5.622867
  N      -7.009536      2.507819      6.257641
  C      -8.211044      1.959364      5.837344
  O      -8.342418      0.816460      5.382602
  C      -9.395258      2.866684      6.018014
  C      -9.251760      4.197754      6.434843
  C     -10.372565      5.018496      6.554377
  C     -11.647469      4.524528      6.267066
  C     -11.773577      3.196659      5.854190
  Br    -13.517420      2.512711      5.454961
  C     -10.670469      2.362849      5.722692
  H      -2.132227     -1.014387      5.448035
  H      -4.031158     -2.394855      1.804039
  H      -4.326761     -4.834141      2.271744
  H      -4.790806     -5.610521      4.591695
  H      -4.641218     -1.534111      5.986449
  H      -5.538463      4.476943      4.261156
  H      -8.773852      7.859711      5.004891
  H      -9.805486      9.254679      6.816193
  H      -8.519008      9.743263      8.893474
  H      -5.182960      7.484852      7.328115
  H      -5.984057      1.565883      4.681604
  H      -8.256423      4.580531      6.656307
  H     -10.255600      6.056125      6.871856
  H     -12.528285      5.159498      6.360877
  H     -10.766899      1.328531      5.393550
  N      -2.037414      2.694584      3.291774
  H      -1.850723      2.877358      2.301494
73
Coordinates from ORCA-job orca E -13783.662933700745
  N      -1.953188      1.093367      5.865681
  Mo     -2.956481      2.542610      4.775952
  N      -4.690215      2.453357      6.029772
  C      -4.591997      3.196904      7.289182
  C      -3.167804      3.099217      7.797300
  N      -2.192091      3.498081      6.730878
  C      -0.850928      2.884233      6.970837
  C      -0.934186      1.349099      6.852538
  C      -2.128830      4.993850      6.594290
  C      -2.404153      5.402677      5.147389
  N      -3.526224      4.607002      4.654241
  H       0.046949      0.947698      6.551810
  H      -1.202698      0.883500      7.814094
  H      -0.178848      3.281075      6.198234
  H      -0.462773      3.183807      7.958196
  H      -2.636388      6.476946      5.098700
  H      -1.525233      5.198067      4.515585
  H      -2.909125      5.421743      7.236647
  H      -1.153429      5.357422      6.949466
  H      -5.281477      2.778342      8.038033
  H      -4.898505      4.247604      7.139757
  H      -2.960112      2.059449      8.075895
  H      -3.009547      3.730664      8.686561
  C      -2.465571      0.026486      5.295679
  N      -3.424230      0.422208      4.439705
  C      -4.129891     -0.364087      3.539436
  O      -4.631995      0.126479      2.534560
  C      -4.275853     -1.819343      3.867270
  C      -4.216596     -2.752659      2.823599
  C      -4.392470     -4.107535      3.093462
  C      -4.651927     -4.546102      4.395354
  C      -4.730873     -3.603598      5.419568
  Br     -5.113847     -4.181636      7.197391
  C      -4.541215     -2.245031      5.177041
  C      -4.754928      5.121397      4.688622
  N      -5.060830      6.290106      5.214536
  C      -6.360555      6.717489      4.994217
  O      -7.049265      6.427632      4.008666
  C      -6.916503      7.600836      6.077024
  C      -8.222026      8.094127      5.947917
  C      -8.780357      8.874988      6.957839
  C      -8.048986      9.175575      8.111313
  C      -6.750579      8.679381      8.224168
  Br     -5.735835      9.076018      9.800555
  C      -6.172367      7.901575      7.226930
  C      -5.925784      2.128956      5.622592
  N      -7.011403      2.498564      6.255866
  C      -8.209492      1.944919      5.832377
  O      -8.334352      0.800107      5.380558
  C      -9.397819      2.848003      6.004939
  C      -9.261969      4.180944      6.418466
  C     -10.386778      4.997446      6.528967
  C     -11.658012      4.497148      6.235776
  C     -11.776561      3.167516      5.826773
  Br    -13.515136      2.474861      5.419645
  C     -10.669213      2.337954      5.704295
  H      -2.130770     -1.011305      5.438578
  H      -4.037074     -2.400987      1.807486
  H      -4.336128     -4.837902      2.285043
  H      -4.800845     -5.604293      4.608249
  H      -4.644906     -1.522538      5.986497
  H      -5.544812      4.480978      4.270212
  H      -8.784193      7.845061      5.047511
  H      -9.797049      9.258783      6.856171
  H      -8.480646      9.783905      8.905840
  H      -5.156485      7.521525      7.320308
  H      -5.982162      1.560927      4.680667
  H      -8.269339      4.568517      6.643935
  H     -10.276199      6.036560      6.844000
  H     -12.542112      5.128658      6.321958
  H     -10.759131      1.302274      5.377776
  N      -2.040000      2.702444      3.290112
  H      -1.850817      2.887471      2.300710
73
Coordinates from ORCA-job orca E -13783.662943699515
  N      -1.954309      1.094156      5.860702
  Mo     -2.957835      2.544622      4.774301
  N      -4.690435      2.448008      6.030566
  C      -4.593575      3.189682      7.290825
  C      -3.169134      3.093806      7.798322
  N      -2.195031      3.496283      6.731823
  C      -0.852854      2.883509      6.969294
  C      -0.933829      1.348526      6.846533
  C      -2.133721      4.992479      6.597690
  C      -2.410460      5.403166      5.151569
  N      -3.532594      4.607870      4.657863
  H       0.047558      0.950110      6.542471
  H      -1.199655      0.879061      7.807055
  H      -0.181391      3.283931      6.198005
  H      -0.465502      3.180885      7.957683
  H      -2.642824      6.477450      5.103966
  H      -1.531518      5.199679      4.519434
  H      -2.914167      5.418172      7.241364
  H      -1.158442      5.356527      6.952743
  H      -5.282234      2.768989      8.039264
  H      -4.901425      4.240285      7.143546
  H      -2.959451      2.053753      8.074507
  H      -3.010939      3.723843      8.688527
  C      -2.465755      0.028218      5.288342
  N      -3.424136      0.424838      4.432362
  C      -4.131406     -0.362631      3.534388
  O      -4.633919      0.125949      2.528733
  C      -4.277814     -1.817168      3.865700
  C      -4.218629     -2.753299      2.824506
  C      -4.395534     -4.107309      3.097957
  C      -4.655902     -4.542178      4.400980
  C      -4.734768     -3.596844      5.422659
  Br     -5.118926     -4.169787      7.201931
  C      -4.544118     -2.239063      5.176521
  C      -4.761353      5.121808      4.696114
  N      -5.065357      6.290280      5.224109
  C      -6.365977      6.717743      5.008315
  O      -7.061304      6.421759      4.029237
  C      -6.913838      7.610134      6.087931
  C      -8.221712      8.099361      5.966135
  C      -8.771606      8.890751      6.972505
  C      -8.029193      9.205850      8.115101
  C      -6.728763      8.713262      8.220773
  Br     -5.699550      9.129861      9.782718
  C      -6.158685      7.925188      7.226945
  C      -5.925456      2.121797      5.623628
  N      -7.012035      2.488274      6.257332
  C      -8.208459      1.931214      5.833077
  O      -8.329882      0.785092      5.383592
  C      -9.398698      2.832522      6.000356
  C      -9.267038      4.165818      6.414155
  C     -10.393498      4.980815      6.517929
  C     -11.662255      4.478685      6.217724
  C     -11.776952      3.148568      5.809388
  Br    -13.512017      2.452884      5.393808
  C     -10.667805      2.320342      5.693460
  H      -2.130012     -1.009423      5.430000
  H      -4.038504     -2.404413      1.807495
  H      -4.339266     -4.839860      2.291467
  H      -4.805557     -5.599698      4.616731
  H      -4.647537     -1.514204      5.983969
  H      -5.552235      4.482075      4.278439
  H      -8.791040      7.838846      5.073470
  H      -9.789964      9.271584      6.876602
  H      -8.453654      9.822793      8.906879
  H      -5.141021      7.548547      7.313861
  H      -5.981524      1.554092      4.681662
  H      -8.276135      4.554635      6.644642
  H     -10.286601      6.020338      6.832762
  H     -12.547644      5.109248      6.297658
  H     -10.754179      1.284296      5.366949
  N      -2.038540      2.709248      3.290512
  H      -1.843648      2.891890      2.301639
73
Coordinates from ORCA-job orca E -13783.662950600969
  N      -1.953400      1.092283      5.856685
  Mo     -2.959357      2.545042      4.776207
  N      -4.689590      2.438472      6.036049
  C      -4.592937      3.177146      7.297829
  C      -3.167734      3.083042      7.803054
  N      -2.196483      3.490867      6.735895
  C      -0.852715      2.879733      6.968976
  C      -0.931040      1.345010      6.840887
  C      -2.138261      4.987734      6.605761
  C      -2.417668      5.402221      5.161273
  N      -3.539578      4.607074      4.666669
  H       0.050574      0.950281      6.532682
  H      -1.193045      0.870905      7.800223
  H      -0.183005      3.284361      6.198376
  H      -0.464973      3.174636      7.957936
  H      -2.651661      6.476313      5.117203
  H      -1.539156      5.202088      4.527513
  H      -2.918539      5.409858      7.251994
  H      -1.163113      5.352537      6.960368
  H      -5.280033      2.753654      8.046189
  H      -4.903185      4.227569      7.153844
  H      -2.955413      2.042446      8.075241
  H      -3.008829      3.710733      8.694745
  C      -2.464601      0.027776      5.281623
  N      -3.423871      0.426201      4.427170
  C      -4.134148     -0.360588      3.530988
  O      -4.640430      0.128549      2.527439
  C      -4.279024     -1.815590      3.861900
  C      -4.221151     -2.751357      2.820296
  C      -4.396228     -4.105630      3.093803
  C      -4.653557     -4.541127      4.397304
  C      -4.731469     -3.596084      5.419352
  Br     -5.111452     -4.169813      7.199373
  C      -4.542625     -2.238033      5.173116
  C      -4.768472      5.120323      4.705256
  N      -5.072599      6.289557      5.231901
  C      -6.373736      6.715581      5.016455
  O      -7.072996      6.410718      4.042828
  C      -6.917497      7.618611      6.089452
  C      -8.227737      8.102544      5.970881
  C      -8.773114      8.904259      6.971473
  C      -8.023549      9.235462      8.104825
  C      -6.720802      8.748301      8.207067
  Br     -5.681377      9.187858      9.755926
  C      -6.155084      7.949586      7.219184
  C      -5.924477      2.112962      5.628029
  N      -7.011256      2.477633      6.262304
  C      -8.207540      1.922130      5.835500
  O      -8.329159      0.776528      5.384950
  C      -9.397017      2.824580      6.001336
  C      -9.265333      4.156700      6.418832
  C     -10.391079      4.972909      6.519739
  C     -11.659287      4.473212      6.213371
  C     -11.774195      3.144079      5.801932
  Br    -13.508381      2.451190      5.378969
  C     -10.665677      2.314683      5.688148
  H      -2.127624     -1.009852      5.420442
  H      -4.043352     -2.401914      1.803014
  H      -4.340756     -4.837849      2.286953
  H      -4.801560     -5.598855      4.613162
  H      -4.644941     -1.513540      5.981052
  H      -5.559420      4.480118      4.288368
  H      -8.801692      7.828904      5.085095
  H      -9.793393      9.280702      6.878335
  H      -8.444130      9.860441      8.892336
  H      -5.135588      7.577315      7.303030
  H      -5.980624      1.547133      4.684844
  H      -8.274658      4.543433      6.654018
  H     -10.284353      6.011862      6.836500
  H     -12.544036      5.105077      6.290154
  H     -10.751848      1.279735      5.358180
  N      -2.038415      2.714437      3.294058
  H      -1.838720      2.892658      2.305332
73
Coordinates from ORCA-job orca E -13783.662954567855
  N      -1.953742      1.090293      5.857529
  Mo     -2.958878      2.544742      4.778303
  N      -4.689395      2.434764      6.037766
  C      -4.593739      3.173216      7.299501
  C      -3.168923      3.079218      7.805366
  N      -2.197539      3.488123      6.738777
  C      -0.853777      2.876955      6.971809
  C      -0.932004      1.342283      6.842423
  C      -2.139833      4.985247      6.609899
  C      -2.420132      5.401245      5.166015
  N      -3.541702      4.606070      4.670450
  H       0.049918      0.948317      6.534079
  H      -1.193816      0.866904      7.801222
  H      -0.183802      3.282201      6.201757
  H      -0.466521      3.171341      7.961102
  H      -2.655271      6.475184      5.123972
  H      -1.541735      5.202882      4.531632
  H      -2.919579      5.406534      7.257307
  H      -1.164475      5.349943      6.963988
  H      -5.281470      2.749857      8.047348
  H      -4.904321      4.223611      7.155511
  H      -2.956414      2.038476      8.076780
  H      -3.010377      3.706454      8.697435
  C      -2.465164      0.026769      5.281028
  N      -3.423411      0.426717      4.425950
  C      -4.134327     -0.358818      3.529272
  O      -4.641371      0.131650      2.526738
  C      -4.278617     -1.814459      3.858053
  C      -4.220399     -2.748678      2.815082
  C      -4.394449     -4.103542      3.086708
  C      -4.651038     -4.541190      4.389667
  C      -4.729470     -3.597618      5.413047
  Br     -5.108410     -4.174200      7.192458
  C      -4.541758     -2.239001      5.168676
  C      -4.770509      5.119196      4.708534
  N      -5.074722      6.289122      5.233813
  C      -6.375465      6.715295      5.016897
  O      -7.075225      6.407079      4.044606
  C      -6.918562      7.623447      6.085997
  C      -8.229157      8.106026      5.966614
  C      -8.773864      8.912100      6.963932
  C      -8.023081      9.249552      8.094636
  C      -6.719762      8.764200      8.197415
  Br     -5.677691      9.213607      9.741709
  C      -6.154752      7.960654      7.212975
  C      -5.924213      2.108589      5.629556
  N      -7.010741      2.472681      6.264502
  C      -8.207531      1.917980      5.838087
  O      -8.329954      0.772850      5.386720
  C      -9.396519      2.820890      6.005405
  C      -9.263998      4.152273      6.424633
  C     -10.389218      4.968957      6.526829
  C     -11.657828      4.470584      6.220289
  C     -11.773629      3.142030      5.807244
  Br    -13.508399      2.450538      5.384949
  C     -10.665657      2.312155      5.691780
  H      -2.128907     -1.011164      5.419106
  H      -4.043169     -2.397526      1.798278
  H      -4.338689     -4.834498      2.278731
  H      -4.798105     -5.599401      4.604080
  H      -4.644448     -1.515913      5.977813
  H      -5.561598      4.478741      4.292243
  H      -8.803630      7.827315      5.082772
  H      -9.794570      9.287192      6.870335
  H      -8.443211      9.877686      8.879842
  H      -5.134924      7.589578      7.297337
  H      -5.980383      1.542682      4.686497
  H      -8.272987      4.537872      6.660117
  H     -10.281878      6.007459      6.844548
  H     -12.542063      5.103055      6.297974
  H     -10.752522      1.277776      5.360169
  N      -2.035198      2.715596      3.297992
  H      -1.830468      2.889770      2.309594
73
Coordinates from ORCA-job orca E -13783.662957182381
  N      -1.953986      1.087582      5.859495
  Mo     -2.958910      2.543980      4.781911
  N      -4.689535      2.429892      6.041048
  C      -4.594564      3.167498      7.303269
  C      -3.169785      3.074230      7.809079
  N      -2.198473      3.484594      6.742875
  C      -0.854643      2.873413      6.975732
  C      -0.932803      1.338776      6.844974
  C      -2.141491      4.981988      6.615611
  C      -2.422472      5.399881      5.172425
  N      -3.543974      4.604621      4.676333
  H       0.049314      0.945399      6.536436
  H      -1.194350      0.862278      7.803275
  H      -0.184583      3.279134      6.206012
  H      -0.467442      3.167171      7.965191
  H      -2.658815      6.473649      5.132707
  H      -1.544448      5.203178      4.537109
  H      -2.921101      5.402165      7.263892
  H      -1.166163      5.346742      6.969701
  H      -5.282185      2.743306      8.050779
  H      -4.906437      4.217655      7.160035
  H      -2.956489      2.033515      8.079848
  H      -3.011781      3.701086      8.701524
  C      -2.465657      0.025117      5.281356
  N      -3.423091      0.426807      4.425982
  C      -4.134720     -0.356680      3.528098
  O      -4.642684      0.136215      2.527204
  C      -4.277991     -1.813294      3.853042
  C      -4.219333     -2.744685      2.807557
  C      -4.391567     -4.100562      3.075748
  C      -4.646752     -4.542048      4.377715
  C      -4.725867     -3.601211      5.403574
  Br     -5.102889     -4.183027      7.181771
  C      -4.540059     -2.241642      5.162660
  C      -4.772695      5.117750      4.712698
  N      -5.077313      6.288974      5.235070
  C      -6.377923      6.714280      5.016640
  O      -7.078621      6.400928      4.046549
  C      -6.920284      7.628774      6.080790
  C      -8.231951      8.108199      5.961072
  C      -8.776080      8.919521      6.954356
  C      -8.023447      9.266105      8.081059
  C      -6.718849      8.784403      8.183889
  Br     -5.673287      9.247262      9.721899
  C      -6.154585      7.975036      7.203689
  C      -5.924384      2.103343      5.632591
  N      -7.010506      2.466734      6.268428
  C      -8.208054      1.913089      5.843050
  O      -8.332003      0.767842      5.392499
  C      -9.396075      2.817342      6.011066
  C      -9.261425      4.148884      6.428899
  C     -10.385568      4.966979      6.531950
  C     -11.655226      4.469898      6.227833
  C     -11.773029      3.141141      5.815860
  Br    -13.509250      2.451656      5.396382
  C     -10.666232      2.309912      5.699316
  H      -2.130186     -1.013218      5.418217
  H      -4.043107     -2.390594      1.791581
  H      -4.335412     -4.829294      2.265770
  H      -4.792218     -5.601069      4.589447
  H      -4.643328     -1.520973      5.973890
  H      -5.563881      4.476537      4.297629
  H      -8.807843      7.822667      5.080333
  H      -9.797806      9.291801      6.860675
  H      -8.443292      9.898133      8.863276
  H      -5.133937      7.606345      7.288495
  H      -5.980566      1.538375      4.689062
  H      -8.269615      4.533466      6.662706
  H     -10.276462      6.005671      6.848474
  H     -12.538550      5.103517      6.306314
  H     -10.754930      1.275535      5.368079
  N      -2.033535      2.716479      3.302859
  H      -1.825992      2.889366      2.314839
73
Coordinates from ORCA-job orca E -13783.662960226824
  N      -1.954502      1.084444      5.864156
  Mo     -2.957088      2.543691      4.787207
  N      -4.690112      2.426163      6.042739
  C      -4.597535      3.162854      7.305842
  C      -3.173533      3.069638      7.814089
  N      -2.199813      3.480761      6.750240
  C      -0.856883      2.868342      6.985319
  C      -0.935936      1.333830      6.852648
  C      -2.141921      4.978325      6.625301
  C      -2.420911      5.398814      5.182509
  N      -3.542112      4.604138      4.684406
  H       0.046630      0.939944      6.546410
  H      -1.200262      0.856627      7.809751
  H      -0.184995      3.274118      6.217244
  H      -0.471153      3.160717      7.975725
  H      -2.657508      6.472579      5.144685
  H      -1.542504      5.202991      4.547503
  H      -2.922340      5.397863      7.273015
  H      -1.167004      5.342190      6.981437
  H      -5.286100      2.737584      8.051887
  H      -4.910057      4.212886      7.163021
  H      -2.960498      2.028930      8.084976
  H      -3.017598      3.696046      8.707232
  C      -2.465859      0.023435      5.283203
  N      -3.420802      0.427568      4.426103
  C      -4.131121     -0.352660      3.524396
  O      -4.636885      0.144015      2.524279
  C      -4.276383     -1.810078      3.844220
  C      -4.214584     -2.738044      2.795910
  C      -4.388499     -4.094691      3.058992
  C      -4.648669     -4.540323      4.358488
  C      -4.730982     -3.602822      5.387105
  Br     -5.115223     -4.190279      7.161827
  C      -4.543439     -2.242594      5.151432
  C      -4.770600      5.117838      4.717271
  N      -5.075698      6.290583      5.235919
  C      -6.375874      6.715384      5.014439
  O      -7.076539      6.396767      4.045943
  C      -6.916780      7.639711      6.070839
  C      -8.228262      8.118612      5.947651
  C      -8.770963      8.940202      6.933256
  C      -8.016954      9.298162      8.055456
  C      -6.712501      8.816918      8.161824
  Br     -5.664541      9.295806      9.693386
  C      -6.149898      7.997009      7.189379
  C      -5.924135      2.098124      5.632600
  N      -7.011138      2.459228      6.268082
  C      -8.208067      1.904830      5.842541
  O      -8.330782      0.760174      5.390224
  C      -9.397974      2.805318      6.017945
  C      -9.264802      4.135705      6.439766
  C     -10.390713      4.950236      6.552149
  C     -11.660583      4.450641      6.253277
  C     -11.776681      3.123226      5.836383
  Br    -13.513322      2.430908      5.422936
  C     -10.668223      2.295581      5.710780
  H      -2.133137     -1.015799      5.419670
  H      -4.034513     -2.380778      1.781759
  H      -4.329891     -4.820784      2.246848
  H      -4.795552     -5.599919      4.566125
  H      -4.649675     -1.524603      5.964620
  H      -5.561331      4.476380      4.301756
  H      -8.805467      7.825294      5.070380
  H      -9.792577      9.312048      6.836816
  H      -8.435761      9.938569      8.831406
  H      -5.129344      7.628752      7.277144
  H      -5.978339      1.534285      4.688292
  H      -8.272931      4.522275      6.669962
  H     -10.282636      5.987902      6.872438
  H     -12.545315      5.081201      6.339812
  H     -10.756102      1.262250      5.376008
  N      -2.029177      2.718541      3.310049
  H      -1.820213      2.893939      2.322771
73
Coordinates from ORCA-job orca E -13783.662963942568
  N      -1.953569      1.078970      5.868920
  Mo     -2.955220      2.542173      4.794812
  N      -4.689645      2.413791      6.048208
  C      -4.600359      3.151107      7.311177
  C      -3.176900      3.060838      7.821432
  N      -2.202075      3.474247      6.759364
  C      -0.859325      2.861685      6.995824
  C      -0.938027      1.327091      6.860582
  C      -2.145822      4.972304      6.637437
  C      -2.427939      5.396318      5.196214
  N      -3.548338      4.599566      4.698497
  H       0.045408      0.934054      6.556276
  H      -1.204134      0.848200      7.816277
  H      -0.186231      3.268250      6.229249
  H      -0.474967      3.152777      7.987105
  H      -2.668199      6.469377      5.162568
  H      -1.550597      5.204396      4.558727
  H      -2.925847      5.389445      7.287176
  H      -1.170890      5.336604      6.993070
  H      -5.289003      2.724630      8.056474
  H      -4.915458      4.200379      7.167974
  H      -2.961972      2.020733      8.092950
  H      -3.023767      3.687626      8.714791
  C      -2.464573      0.020112      5.284165
  N      -3.415761      0.427710      4.424370
  C      -4.125553     -0.348280      3.518835
  O      -4.629540      0.153192      2.520243
  C      -4.272346     -1.806828      3.831812
  C      -4.204553     -2.730311      2.779976
  C      -4.380097     -4.088047      3.036244
  C      -4.648085     -4.539186      4.332141
  C      -4.736469     -3.605998      5.364128
  Br     -5.132215     -4.200890      7.133740
  C      -4.547198     -2.244815      5.135495
  C      -4.777654      5.110589      4.730324
  N      -5.084841      6.285758      5.242484
  C      -6.388220      6.702397      5.024759
  O      -7.098878      6.359496      4.071699
  C      -6.923199      7.644102      6.068918
  C      -8.243357      8.101269      5.957641
  C      -8.779575      8.941619      6.930849
  C      -8.009990      9.341236      8.028180
  C      -6.697096      8.881216      8.122968
  Br     -5.626531      9.419113      9.619265
  C      -6.141273      8.041970      7.163024
  C      -5.923046      2.082878      5.637867
  N      -7.010060      2.444091      6.273064
  C      -8.208296      1.891560      5.849852
  O      -8.333413      0.747868      5.395920
  C      -9.395656      2.795840      6.023963
  C      -9.257199      4.126236      6.443534
  C     -10.380193      4.944556      6.558233
  C     -11.652358      4.448661      6.263902
  C     -11.773517      3.121351      5.847984
  Br    -13.513611      2.434857      5.439546
  C     -10.668099      2.290010      5.720052
  H      -2.136726     -1.020554      5.420692
  H      -4.018631     -2.368821      1.768446
  H      -4.316911     -4.810662      2.221378
  H      -4.796411     -5.599614      4.534293
  H      -4.658984     -1.530402      5.951061
  H      -5.567876      4.465079      4.320153
  H      -8.832117      7.777666      5.099013
  H      -9.807966      9.296469      6.843671
  H      -8.423514      9.997341      8.793812
  H      -5.114137      7.690632      7.241809
  H      -5.976149      1.520066      4.693105
  H      -8.263630      4.509798      6.670837
  H     -10.267817      5.982073      6.877378
  H     -12.534907      5.081794      6.353506
  H     -10.760621      1.256735      5.386103
  N      -2.023292      2.723237      3.320828
  H      -1.808156      2.898784      2.334830
73
Coordinates from ORCA-job orca E -13783.662970719828
  N      -1.953686      1.082165      5.866062
  Mo     -2.955335      2.543132      4.789855
  N      -4.689566      2.420952      6.043989
  C      -4.598573      3.158638      7.306728
  C      -3.174971      3.066752      7.816448
  N      -2.200323      3.478527      6.753688
  C      -0.857762      2.865642      6.989948
  C      -0.937266      1.331055      6.856901
  C      -2.142861      4.976279      6.629830
  C      -2.424376      5.398150      5.187808
  N      -3.544854      4.601656      4.690579
  H       0.045768      0.936696      6.552930
  H      -1.203960      0.854023      7.813432
  H      -0.184909      3.271249      6.222626
  H      -0.472903      3.157550      7.980845
  H      -2.663084      6.471454      5.151356
  H      -1.546585      5.204282      4.551413
  H      -2.922684      5.394992      7.278815
  H      -1.167668      5.340161      6.985134
  H      -5.287260      2.733151      8.052499
  H      -4.911578      4.208392      7.163202
  H      -2.961294      2.026392      8.088176
  H      -3.020613      3.693537      8.709583
  C      -2.465229      0.022021      5.283974
  N      -3.417224      0.427708      4.424365
  C      -4.126541     -0.350847      3.520611
  O      -4.629343      0.147267      2.519727
  C      -4.273704     -1.808324      3.838465
  C      -4.207913     -2.735471      2.789700
  C      -4.384653     -4.092063      3.050799
  C      -4.651617     -4.538370      4.348616
  C      -4.737481     -3.601647      5.377633
  Br     -5.131142     -4.190054      7.149826
  C      -4.546978     -2.241513      5.144078
  C      -4.774292      5.112727      4.723931
  N      -5.081485      6.285809      5.240652
  C      -6.385442      6.702758      5.025085
  O      -7.093233      6.370223      4.066421
  C      -6.921467      7.636287      6.075841
  C      -8.240114      8.098043      5.964312
  C      -8.777573      8.930448      6.943741
  C      -8.010881      9.316844      8.047800
  C      -6.699653      8.851916      8.142996
  Br     -5.634283      9.370658      9.649501
  C      -6.142475      8.021039      7.176752
  C      -5.923226      2.091753      5.633917
  N      -7.010456      2.454246      6.268252
  C      -8.207703      1.900021      5.843952
  O      -8.331344      0.755277      5.392020
  C      -9.396464      2.802466      6.016967
  C      -9.260910      4.133747      6.435071
  C     -10.385461      4.950271      6.546902
  C     -11.656343      4.451656      6.251089
  C     -11.774776      3.123498      5.837298
  Br    -13.512952      2.432965      5.427334
  C     -10.667663      2.293890      5.712365
  H      -2.137460     -1.018450      5.422799
  H      -4.022765     -2.377686      1.776677
  H      -4.323108     -4.817600      2.238393
  H      -4.800918     -5.597924      4.554598
  H      -4.656032     -1.523963      5.957306
  H      -5.564158      4.468049      4.311851
  H      -8.826774      7.783866      5.100711
  H      -9.804723      9.288933      6.856380
  H      -8.425162      9.966934      8.818132
  H      -5.116671      7.665738      7.255759
  H      -5.976829      1.527552      4.689858
  H      -8.268254      4.519579      6.662678
  H     -10.275455      5.988529      6.864533
  H     -12.540168      5.083445      6.337949
  H     -10.757651      1.259859      5.380242
  N      -2.025905      2.721722      3.314022
  H      -1.814778      2.898861      2.327473
73
Coordinates from ORCA-job orca E -13783.662972298667
  N      -1.953718      1.084089      5.865665
  Mo     -2.952988      2.545314      4.787964
  N      -4.688339      2.428133      6.041135
  C      -4.596492      3.165462      7.304193
  C      -3.173192      3.071207      7.814498
  N      -2.197220      3.481277      6.752258
  C      -0.855747      2.866363      6.989338
  C      -0.937703      1.331934      6.857404
  C      -2.136947      4.978811      6.627826
  C      -2.416780      5.400308      5.185284
  N      -3.537615      4.605162      4.687287
  H       0.044901      0.935268      6.555017
  H      -1.206846      0.856534      7.814099
  H      -0.181916      3.270592      6.222132
  H      -0.470904      3.157995      7.980358
  H      -2.653473      6.473985      5.147214
  H      -1.538436      5.204641      4.550113
  H      -2.916362      5.399346      7.276145
  H      -1.161254      5.340901      6.983526
  H      -5.285902      2.740658      8.049651
  H      -4.907219      4.215813      7.160722
  H      -2.961516      2.030432      8.086280
  H      -3.018216      3.697505      8.707862
  C      -2.466839      0.023921      5.284901
  N      -3.417665      0.429989      4.424270
  C      -4.126615     -0.348712      3.520287
  O      -4.626800      0.148602      2.517681
  C      -4.277632     -1.805248      3.840752
  C      -4.212690     -2.734762      2.794015
  C      -4.393657     -4.090251      3.057663
  C      -4.664000     -4.532980      4.356036
  C      -4.748738     -3.593940      5.383039
  Br     -5.146659     -4.177504      7.155830
  C      -4.554003     -2.234879      5.146905
  C      -4.766574      5.117741      4.719263
  N      -5.072929      6.290600      5.236914
  C      -6.376409      6.709271      5.019578
  O      -7.083110      6.378188      4.059784
  C      -6.915349      7.635951      6.074717
  C      -8.234530      8.096575      5.963631
  C      -8.774651      8.922965      6.946761
  C      -8.010090      9.304266      8.054042
  C      -6.698365      8.840429      8.148766
  Br     -5.636615      9.352226      9.659968
  C      -6.138586      8.015631      7.178967
  C      -5.921872      2.099732      5.630699
  N      -7.009813      2.460770      6.264856
  C      -8.205109      1.902731      5.839715
  O      -8.324380      0.758529      5.384994
  C      -9.397629      2.799690      6.014921
  C      -9.268369      4.130688      6.436285
  C     -10.396717      4.941756      6.549407
  C     -11.665164      4.437962      6.251306
  C     -11.777404      3.110217      5.834611
  Br    -13.512092      2.412403      5.421768
  C     -10.666382      2.285955      5.708738
  H      -2.141953     -1.017185      5.426265
  H      -4.024869     -2.379693      1.780503
  H      -4.332752     -4.817739      2.246945
  H      -4.816737     -5.591652      4.563992
  H      -4.661795     -1.515111      5.958361
  H      -5.556117      4.474623      4.304270
  H      -8.819527      7.786235      5.097466
  H      -9.802215      9.280493      6.859812
  H      -8.426202      9.950108      8.826946
  H      -5.112478      7.660993      7.257653
  H      -5.975022      1.534498      4.687072
  H      -8.277558      4.520699      6.665058
  H     -10.291720      5.979754      6.869703
  H     -12.551973      5.065507      6.338804
  H     -10.751335      1.252163      5.374742
  N      -2.024208      2.722248      3.311596
  H      -1.815389      2.901336      2.324969
73
Coordinates from ORCA-job orca E -13783.662975871612
  N      -1.952471      1.082845      5.865464
  Mo     -2.951897      2.545824      4.789994
  N      -4.687243      2.424563      6.043438
  C      -4.595888      3.161092      7.307007
  C      -3.172533      3.067476      7.817174
  N      -2.196709      3.479146      6.755306
  C      -0.855134      2.863984      6.991647
  C      -0.937072      1.329656      6.858143
  C      -2.136904      4.976926      6.632659
  C      -2.418899      5.400422      5.191006
  N      -3.539284      4.604624      4.693008
  H       0.045716      0.933291      6.555960
  H      -1.206754      0.853342      7.814238
  H      -0.181317      3.269030      6.224864
  H      -0.470308      3.154533      7.982999
  H      -2.657011      6.473832      5.154743
  H      -1.540964      5.206768      4.554651
  H      -2.915469      5.396410      7.282698
  H      -1.160769      5.338678      6.987445
  H      -5.284925      2.735254      8.052226
  H      -4.907238      4.211372      7.164370
  H      -2.960180      2.026627      8.088062
  H      -3.017912      3.693051      8.711094
  C      -2.466362      0.023549      5.283823
  N      -3.415862      0.431201      4.422448
  C      -4.125121     -0.346069      3.517472
  O      -4.624160      0.152555      2.514941
  C      -4.278260     -1.802658      3.836810
  C      -4.211156     -2.731842      2.789923
  C      -4.394409     -4.087222      3.052537
  C      -4.669337     -4.530078      4.349918
  C      -4.756345     -3.591317      5.376986
  Br     -5.160785     -4.175028      7.148242
  C      -4.559336     -2.232389      5.141937
  C      -4.768731      5.115864      4.725030
  N      -5.076091      6.288924      5.241805
  C      -6.381466      6.703664      5.027030
  O      -7.090755      6.367314      4.070996
  C      -6.916542      7.638792      6.076662
  C      -8.238585      8.092471      5.970570
  C      -8.774935      8.927248      6.948670
  C      -8.003424      9.324547      8.045473
  C      -6.688869      8.867737      8.135087
  Br     -5.617444      9.402537      9.631402
  C      -6.132968      8.034199      7.170551
  C      -5.920494      2.095522      5.632913
  N      -7.008852      2.455289      6.267142
  C      -8.203393      1.896325      5.841166
  O      -8.321209      0.752650      5.384643
  C      -9.396854      2.792141      6.015836
  C      -9.269215      4.123037      6.438067
  C     -10.398388      4.933052      6.550425
  C     -11.666084      4.428307      6.250601
  C     -11.776720      3.100696      5.833092
  Br    -13.510315      2.401550      5.417896
  C     -10.664832      2.277464      5.708023
  H      -2.144044     -1.018262      5.425856
  H      -4.019823     -2.376651      1.777105
  H      -4.331758     -4.814513      2.241773
  H      -4.823975     -5.588641      4.557003
  H      -4.669089     -1.512709      5.953210
  H      -5.557705      4.471458      4.310971
  H      -8.828577      7.770132      5.112204
  H      -9.804815      9.279063      6.865824
  H      -8.416330      9.977467      8.814141
  H      -5.104759      7.684880      7.245302
  H      -5.973244      1.531286      4.688667
  H      -8.278939      4.513770      6.667972
  H     -10.294722      5.970967      6.871481
  H     -12.553545      5.055032      6.337390
  H     -10.748527      1.243797      5.373360
  N      -2.022530      2.725999      3.314423
  H      -1.812324      2.905663      2.328200
73
Coordinates from ORCA-job orca E -13783.662976414076
  N      -1.951454      1.081553      5.866238
  Mo     -2.949312      2.546220      4.791147
  N      -4.685798      2.422782      6.043390
  C      -4.595822      3.159820      7.306647
  C      -3.173065      3.066274      7.818254
  N      -2.196084      3.477853      6.757380
  C      -0.855043      2.861781      6.994836
  C      -0.937749      1.327491      6.860863
  C      -2.135755      4.975745      6.635446
  C      -2.419032      5.400460      5.194297
  N      -3.538857      4.604127      4.695930
  H       0.045331      0.930701      6.560202
  H      -1.209148      0.851031      7.816408
  H      -0.180275      3.266563      6.228751
  H      -0.470985      3.151887      7.986616
  H      -2.658385      6.473634      5.159393
  H      -1.541196      5.208390      4.557350
  H      -2.913333      5.395132      7.286722
  H      -1.159032      5.336783      6.989307
  H      -5.285692      2.734332      8.051297
  H      -4.906989      4.210101      7.163289
  H      -2.961053      2.025464      8.089446
  H      -3.019283      3.691927      8.712255
  C      -2.466534      0.023068      5.284248
  N      -3.413681      0.432388      4.421049
  C      -4.123158     -0.343584      3.515148
  O      -4.619741      0.155915      2.511854
  C      -4.278600     -1.800097      3.833770
  C      -4.208853     -2.729387      2.787164
  C      -4.394384     -4.084588      3.049268
  C      -4.674223     -4.527063      4.345740
  C      -4.763865     -3.588133      5.372432
  Br     -5.175160     -4.171298      7.142310
  C      -4.564638     -2.229400      5.137955
  C      -4.768638      5.114435      4.727274
  N      -5.077008      6.287796      5.242987
  C      -6.383812      6.699244      5.029565
  O      -7.095257      6.356839      4.077298
  C      -6.918114      7.637753      6.076630
  C      -8.243821      8.081907      5.976187
  C      -8.779269      8.919900      6.951983
  C      -8.002989      9.330408      8.040554
  C      -6.684768      8.883226      8.124435
  Br     -5.606489      9.437229      9.608807
  C      -6.129854      8.046084      7.162412
  C      -5.918613      2.093003      5.632387
  N      -7.007476      2.453214      6.265631
  C      -8.201827      1.895097      5.838066
  O      -8.320426      0.750427      5.384199
  C      -9.395346      2.790332      6.015239
  C      -9.267293      4.121135      6.437475
  C     -10.396418      4.930899      6.551791
  C     -11.664518      4.425985      6.254127
  C     -11.775591      3.098409      5.836673
  Br    -13.509719      2.398896      5.424635
  C     -10.663751      2.275406      5.709535
  H      -2.147683     -1.019515      5.428159
  H      -4.013775     -2.374468      1.774971
  H      -4.329744     -4.812004      2.238777
  H      -4.830670     -5.585463      4.552373
  H      -4.676664     -1.509509      5.948734
  H      -5.557134      4.468874      4.314080
  H      -8.836997      7.749760      5.123807
  H      -9.812073      9.264022      6.873706
  H      -8.415105      9.986007      8.807370
  H      -5.099012      7.703866      7.232886
  H      -5.970815      1.529498      4.687781
  H      -8.276689      4.511894      6.665755
  H     -10.292514      5.968761      6.872816
  H     -12.551920      5.052579      6.342414
  H     -10.747793      1.241781      5.374735
  N      -2.017869      2.728361      3.317146
  H      -1.804868      2.907579      2.331390
73
Coordinates from ORCA-job orca E -13783.662979578283
  N      -1.950594      1.081855      5.865760
  Mo     -2.948318      2.546833      4.790536
  N      -4.684712      2.424872      6.043003
  C      -4.594221      3.162426      7.305928
  C      -3.171461      3.068254      7.817357
  N      -2.194210      3.478726      6.756292
  C      -0.853583      2.861833      6.994003
  C      -0.937403      1.327577      6.860915
  C      -2.132868      4.976524      6.633984
  C      -2.416872      5.401323      5.193007
  N      -3.536799      4.605106      4.694955
  H       0.045515      0.929811      6.561082
  H      -1.209680      0.851947      7.816599
  H      -0.178687      3.265628      6.227513
  H      -0.469066      3.152230      7.985503
  H      -2.656373      6.474486      5.158503
  H      -1.539308      5.209494      4.555611
  H      -2.909417      5.396656      7.285978
  H      -1.155502      5.336810      6.986816
  H      -5.284226      2.737561      8.050807
  H      -4.905008      4.212772      7.162043
  H      -2.960102      2.027440      8.088997
  H      -3.017267      3.694202      8.711092
  C      -2.467229      0.023417      5.285097
  N      -3.414094      0.433169      4.421731
  C      -4.124325     -0.342373      3.516012
  O      -4.620726      0.157416      2.512797
  C      -4.280910     -1.798684      3.834949
  C      -4.211951     -2.728379      2.788669
  C      -4.398313     -4.083389      3.051330
  C      -4.678160     -4.525210      4.348021
  C      -4.766980     -3.585854      5.374388
  Br     -5.178172     -4.168148      7.144592
  C      -4.566920     -2.227321      5.139360
  C      -4.766490      5.115734      4.725586
  N      -5.074984      6.289096      5.241222
  C      -6.381479      6.700938      5.026474
  O      -7.090967      6.361019      4.071898
  C      -6.917848      7.636746      6.074913
  C      -8.243224      8.081440      5.972902
  C      -8.780826      8.916141      6.950302
  C      -8.007046      9.322875      8.042046
  C      -6.689034      8.875396      8.127379
  Br     -5.614076      9.424240      9.616005
  C      -6.132031      8.041343      7.163844
  C      -5.917536      2.094254      5.632780
  N      -7.006229      2.453720      6.266851
  C      -8.200446      1.894880      5.839776
  O      -8.318002      0.751623      5.382103
  C      -9.394229      2.789953      6.016133
  C      -9.266650      4.120290      6.439883
  C     -10.395937      4.929855      6.553900
  C     -11.663737      4.425256      6.254419
  C     -11.774293      3.098161      5.835289
  Br    -13.507979      2.399035      5.420708
  C     -10.662288      2.275363      5.708358
  H      -2.150308     -1.019517      5.430632
  H      -4.016832     -2.373971      1.776310
  H      -4.334327     -4.811152      2.241110
  H      -4.835204     -5.583441      4.555086
  H      -4.678302     -1.507052      5.949888
  H      -5.554897      4.470417      4.311851
  H      -8.834526      7.752199      5.118112
  H      -9.813456      9.260500      6.870871
  H      -8.421022      9.975569      8.810332
  H      -5.101552      7.698354      7.235794
  H      -5.970001      1.530773      4.688182
  H      -8.276304      4.510730      6.669876
  H     -10.292396      5.967324      6.876272
  H     -12.551216      5.051758      6.342480
  H     -10.745933      1.242105      5.372294
  N      -2.017731      2.728459      3.316019
  H      -1.805889      2.908095      2.330087
73
Coordinates from ORCA-job orca E -13783.662981543732
  N      -1.949001      1.082970      5.864059
  Mo     -2.946279      2.548472      4.788886
  N      -4.682743      2.427389      6.041561
  C      -4.592143      3.165031      7.304412
  C      -3.169454      3.070260      7.815870
  N      -2.191885      3.480027      6.754785
  C      -0.851695      2.862284      6.992845
  C      -0.936574      1.328122      6.860103
  C      -2.129483      4.977806      6.632364
  C      -2.414282      5.403051      5.191654
  N      -3.534216      4.607066      4.693565
  H       0.046305      0.929607      6.561110
  H      -1.209887      0.852860      7.815659
  H      -0.176471      3.265414      6.226294
  H      -0.467074      3.152690      7.984297
  H      -2.653978      6.476211      5.157852
  H      -1.536872      5.211798      4.553858
  H      -2.904861      5.398567      7.285325
  H      -1.151377      5.337202      6.984054
  H      -5.282431      2.740558      8.049253
  H      -4.902567      4.215439      7.160310
  H      -2.958702      2.029319      8.087547
  H      -3.014877      3.696199      8.709542
  C      -2.467685      0.024702      5.285003
  N      -3.413698      0.435129      4.420924
  C      -4.125082     -0.340223      3.515864
  O      -4.621007      0.159446      2.512381
  C      -4.284513     -1.795824      3.836674
  C      -4.216460     -2.727222      2.791878
  C      -4.405366     -4.081506      3.056537
  C      -4.686908     -4.520821      4.353706
  C      -4.774894     -3.579716      5.378544
  Br     -5.188396     -4.158569      7.149354
  C      -4.572309     -2.221903      5.141540
  C      -4.763841      5.117949      4.723854
  N      -5.072375      6.291064      5.240023
  C      -6.378502      6.703605      5.024384
  O      -7.086490      6.366133      4.067872
  C      -6.916559      7.636264      6.074777
  C      -8.241706      8.081439      5.972011
  C      -8.780942      8.912682      6.951436
  C      -8.009017      9.315489      8.045940
  C      -6.691145      8.867735      8.131901
  Br     -5.618750      9.411045      9.624382
  C      -6.132498      8.037064      7.166380
  C      -5.915359      2.095889      5.631574
  N      -7.004294      2.453934      6.266192
  C      -8.197749      1.893511      5.838833
  O      -8.313517      0.750639      5.379755
  C      -9.392748      2.787023      6.014947
  C      -9.267164      4.117146      6.440003
  C     -10.397561      4.925211      6.553631
  C     -11.664479      4.419360      6.252481
  C     -11.773031      3.092472      5.832136
  Br    -13.505448      2.391521      5.415372
  C     -10.659907      2.271154      5.705538
  H      -2.153214     -1.018644      5.432854
  H      -4.019986     -2.374735      1.779108
  H      -4.342067     -4.810638      2.247493
  H      -4.845897     -5.578454      4.562321
  H      -4.683131     -1.500149      5.950826
  H      -5.552211      4.473043      4.309414
  H      -8.831450      7.755060      5.115029
  H      -9.813445      9.257335      6.871472
  H      -8.424325      9.965247      8.815993
  H      -5.102185      7.693644      7.238839
  H      -5.967742      1.532343      4.687013
  H      -8.277464      4.508452      6.671377
  H     -10.295660      5.962562      6.876991
  H     -12.552768      5.044769      6.340113
  H     -10.741878      1.238105      5.368457
  N      -2.015753      2.730017      3.314426
  H      -1.804050      2.909396      2.328438
73
Coordinates from ORCA-job orca E -13783.662984093706
  N      -1.946176      1.084524      5.860874
  Mo     -2.942687      2.551139      4.786007
  N      -4.679361      2.430585      6.039004
  C      -4.589049      3.168441      7.301706
  C      -3.166555      3.073044      7.813439
  N      -2.188364      3.481759      6.752451
  C      -0.848956      2.862583      6.991438
  C      -0.935560      1.328560      6.858985
  C      -2.124350      4.979553      6.629979
  C      -2.410828      5.405763      5.189797
  N      -3.530691      4.609964      4.691598
  H       0.047412      0.928924      6.561750
  H      -1.210975      0.853650      7.814092
  H      -0.172929      3.264657      6.225037
  H      -0.464464      3.152898      7.982955
  H      -2.651154      6.478854      5.157504
  H      -1.533744      5.215818      4.551168
  H      -2.897698      5.401203      7.284747
  H      -1.144990      5.337535      6.979612
  H      -5.279831      2.744457      8.046376
  H      -4.899146      4.218875      7.157218
  H      -2.956626      2.031984      8.085328
  H      -3.011591      3.699081      8.706962
  C      -2.468953      0.026631      5.284911
  N      -3.412826      0.438446      4.419083
  C      -4.126603     -0.336542      3.515465
  O      -4.619818      0.162419      2.510342
  C      -4.290094     -1.791019      3.839146
  C      -4.221654     -2.725228      2.796931
  C      -4.414511     -4.078371      3.064661
  C      -4.700397     -4.513616      4.362228
  C      -4.788744     -3.569623      5.384390
  Br     -5.208147     -4.142933      7.155620
  C      -4.582229     -2.212941      5.144399
  C      -4.760342      5.120882      4.721517
  N      -5.069290      6.293526      5.238445
  C      -6.375021      6.706644      5.021950
  O      -7.081134      6.372192      4.063022
  C      -6.915382      7.634970      6.075030
  C      -8.240574      8.079864      5.971824
  C      -8.781973      8.906533      6.953902
  C      -8.012195      9.304981      8.051503
  C      -6.694215      8.857650      8.137819
  Br     -5.624734      9.394763      9.634668
  C      -6.133366      8.031520      7.169652
  C      -5.911528      2.097434      5.629279
  N      -7.000915      2.453425      6.264503
  C      -8.193324      1.891009      5.836590
  O      -8.306847      0.748359      5.376437
  C      -9.389888      2.782448      6.012723
  C      -9.266658      4.112285      6.439413
  C     -10.398416      4.918456      6.553019
  C     -11.664315      4.411016      6.250266
  C     -11.770479      3.084422      5.828307
  Br    -13.501454      2.381259      5.409339
  C     -10.655994      2.264979      5.701662
  H      -2.159386     -1.017512      5.437393
  H      -4.021799     -2.375888      1.783726
  H      -4.350958     -4.809752      2.257662
  H      -4.862392     -5.570317      4.573215
  H      -4.693442     -1.488759      5.951477
  H      -5.548564      4.476329      4.306247
  H      -8.828452      7.756661      5.112341
  H      -9.814520      9.250997      6.873610
  H      -8.429222      9.950941      8.823820
  H      -5.102962      7.688363      7.242238
  H      -5.963694      1.534105      4.684612
  H      -8.277677      4.504629      6.672158
  H     -10.298488      5.955651      6.877592
  H     -12.553605      5.034997      6.337844
  H     -10.735955      1.232213      5.363236
  N      -2.011843      2.733091      3.311974
  H      -1.799879      2.912078      2.325980
73
Coordinates from ORCA-job orca E -13783.662985926374
  N      -1.941875      1.086666      5.856490
  Mo     -2.938171      2.554175      4.782324
  N      -4.675279      2.432288      6.035244
  C      -4.586182      3.169936      7.298078
  C      -3.163998      3.074719      7.810523
  N      -2.185186      3.483435      6.750068
  C      -0.846244      2.863605      6.990183
  C      -0.933472      1.329697      6.857068
  C      -2.120605      4.981328      6.628154
  C      -2.408327      5.408746      5.188466
  N      -3.527727      4.612790      4.689598
  H       0.049962      0.929854      6.561574
  H      -1.210910      0.854311      7.811348
  H      -0.169294      3.265504      6.224496
  H      -0.462554      3.153502      7.982126
  H      -2.649557      6.481696      5.157742
  H      -1.531312      5.220390      4.549294
  H      -2.892781      5.403036      7.284258
  H      -1.140553      5.338585      6.976571
  H      -5.277366      2.745638      8.042199
  H      -4.896556      4.220278      7.153611
  H      -2.954223      2.033633      8.082424
  H      -3.009369      3.700692      8.704133
  C      -2.468139      0.029056      5.283216
  N      -3.409568      0.441956      4.415301
  C      -4.125438     -0.332977      3.513167
  O      -4.618271      0.165537      2.507672
  C      -4.295071     -1.785636      3.841458
  C      -4.229158     -2.723842      2.802703
  C      -4.427853     -4.075207      3.075136
  C      -4.717151     -4.504541      4.373897
  C      -4.802885     -3.556468      5.392530
  Br     -5.226792     -4.121702      7.165270
  C      -4.590497     -2.201542      5.147898
  C      -4.757682      5.122967      4.719898
  N      -5.067581      6.294657      5.238271
  C      -6.373256      6.707663      5.022075
  O      -7.078367      6.375532      4.061581
  C      -6.915115      7.632291      6.077646
  C      -8.240547      8.076543      5.974794
  C      -8.783295      8.899663      6.959108
  C      -8.014718      9.294983      8.058682
  C      -6.696537      8.848201      8.144698
  Br     -5.628735      9.380691      9.644486
  C      -6.134271      8.025771      7.174209
  C      -5.906849      2.097606      5.625189
  N      -6.996892      2.451711      6.260454
  C      -8.188349      1.887695      5.831935
  O      -8.300166      0.744632      5.372402
  C      -9.386205      2.777419      6.008044
  C      -9.264749      4.107305      6.435144
  C     -10.397568      4.912006      6.548706
  C     -11.662723      4.403008      6.245525
  C     -11.767096      3.076396      5.823139
  Br    -13.497072      2.371226      5.403467
  C     -10.651544      2.258406      5.696532
  H      -2.162820     -1.015694      5.440016
  H      -4.026626     -2.379064      1.788463
  H      -4.366280     -4.809768      2.270867
  H      -4.883685     -5.559803      4.588535
  H      -4.699606     -1.473918      5.952189
  H      -5.545526      4.478411      4.303875
  H      -8.827412      7.755599      5.113765
  H      -9.815966      9.243808      6.879040
  H      -8.432759      9.938153      8.832782
  H      -5.103598      7.683298      7.246272
  H      -5.958399      1.534825      4.680214
  H      -8.276283      4.500728      6.668198
  H     -10.299109      5.949279      6.873502
  H     -12.552844      5.025796      6.333158
  H     -10.730020      1.225633      5.357746
  N      -2.006542      2.737711      3.309097
  H      -1.793972      2.917009      2.323275
73
Coordinates from ORCA-job orca E -13783.662986945550
  N      -1.939386      1.088119      5.853295
  Mo     -2.936118      2.555778      4.779750
  N      -4.673353      2.432484      6.032803
  C      -4.585153      3.169751      7.295900
  C      -3.163103      3.075054      7.808700
  N      -2.184128      3.484249      6.748581
  C      -0.845290      2.864460      6.989320
  C      -0.932401      1.330617      6.855440
  C      -2.119761      4.982200      6.627175
  C      -2.407621      5.410228      5.187658
  N      -3.526781      4.614219      4.688260
  H       0.051437      0.931050      6.560900
  H      -1.210966      0.854616      7.809082
  H      -0.167770      3.266658      6.224288
  H      -0.462322      3.153938      7.981664
  H      -2.649084      6.483142      5.157502
  H      -1.530537      5.222406      4.548438
  H      -2.891986      5.403575      7.283445
  H      -1.139745      5.339482      6.975648
  H      -5.276312      2.744763      8.039645
  H      -4.895997      4.219994      7.151812
  H      -2.953017      2.034022      8.080564
  H      -3.008863      3.700949      8.702427
  C      -2.467648      0.030485      5.281915
  N      -3.407768      0.443639      4.412754
  C      -4.125348     -0.331740      3.512268
  O      -4.615994      0.165437      2.505049
  C      -4.297101     -1.783532      3.843103
  C      -4.230374     -2.723957      2.806406
  C      -4.431567     -4.074463      3.081189
  C      -4.724287     -4.500684      4.380197
  C      -4.810853     -3.550381      5.396695
  Br     -5.239542     -4.111388      7.169601
  C      -4.595932     -2.196294      5.149772
  C      -4.756941      5.123836      4.719284
  N      -5.067368      6.294813      5.238776
  C      -6.373042      6.707787      5.023293
  O      -7.078182      6.376693      4.062415
  C      -6.914993      7.631035      6.079992
  C      -8.240281      8.075795      5.977266
  C      -8.783092      8.897875      6.962446
  C      -8.014815      9.291439      8.062856
  C      -6.696857      8.843963      8.148848
  Br     -5.629588      9.373678      9.650052
  C      -6.134486      8.022788      7.177397
  C      -5.904669      2.097451      5.622286
  N      -6.995037      2.450755      6.257364
  C      -8.186148      1.886059      5.828990
  O      -8.297398      0.742519      5.370476
  C      -9.384516      2.775069      6.005195
  C      -9.263661      4.105206      6.431757
  C     -10.396901      4.909297      6.545555
  C     -11.661856      4.399374      6.243073
  C     -11.765624      3.072568      5.821157
  Br    -13.495383      2.366348      5.402282
  C     -10.649641      2.255182      5.694405
  H      -2.164779     -1.014538      5.441630
  H      -4.025228     -2.381621      1.791860
  H      -4.369316     -4.810762      2.278563
  H      -4.892857     -5.555252      4.596633
  H      -4.705690     -1.466813      5.952287
  H      -5.544565      4.479269      4.302831
  H      -8.827080      7.756149      5.115709
  H      -9.815579      9.242594      6.882415
  H      -8.432839      9.933949      8.837513
  H      -5.103840      7.680151      7.249221
  H      -5.955818      1.535064      4.677044
  H      -8.275333      4.499359      6.664149
  H     -10.298890      5.946752      6.869912
  H     -12.552363      5.021576      6.331012
  H     -10.727669      1.222227      5.356077
  N      -2.004283      2.740429      3.306818
  H      -1.791893      2.920577      2.321112
73
Coordinates from ORCA-job orca E -13783.662988502996
  N      -1.936936      1.089411      5.849900
  Mo     -2.934907      2.556782      4.777371
  N      -4.672263      2.430949      6.030297
  C      -4.585230      3.167316      7.293994
  C      -3.163305      3.073584      7.807211
  N      -2.184394      3.484308      6.747678
  C      -0.845237      2.865435      6.988681
  C      -0.931146      1.331642      6.853324
  C      -2.121341      4.982350      6.627371
  C      -2.408178      5.410981      5.187864
  N      -3.526983      4.614922      4.687472
  H       0.053265      0.933158      6.559227
  H      -1.210218      0.854433      7.806213
  H      -0.167389      3.268804      6.224552
  H      -0.463206      3.154221      7.981593
  H      -2.649618      6.483893      5.157864
  H      -1.530732      5.223303      4.549107
  H      -2.894936      5.402563      7.282796
  H      -1.142172      5.340462      6.977365
  H      -5.276148      2.740940      8.037166
  H      -4.896958      4.217425      7.150815
  H      -2.952322      2.032640      8.078696
  H      -3.009919      3.699126      8.701339
  C      -2.466004      0.031561      5.279661
  N      -3.405358      0.444432      4.409615
  C      -4.124391     -0.331715      3.510936
  O      -4.614764      0.164166      2.502936
  C      -4.297352     -1.782756      3.844269
  C      -4.231626     -2.725046      2.809182
  C      -4.434403     -4.074835      3.086249
  C      -4.727761     -4.498462      4.385967
  C      -4.813223     -3.546322      5.400846
  Br     -5.242734     -4.103818      7.174639
  C      -4.596634     -2.192932      5.151644
  C      -4.757397      5.123787      4.719597
  N      -5.068345      6.293971      5.240439
  C      -6.374186      6.706661      5.026079
  O      -7.080067      6.375657      4.065647
  C      -6.915438      7.629934      6.083069
  C      -8.240446      8.075616      5.980497
  C      -8.782599      8.898069      6.965763
  C      -8.014031      9.290948      8.066215
  C      -6.696427      8.842385      8.152159
  Br     -5.628818      9.370983      9.653525
  C      -6.134709      8.021019      7.180538
  C      -5.903482      2.096364      5.618897
  N      -6.994045      2.449451      6.253517
  C      -8.185249      1.884969      5.825603
  O      -8.296844      0.741030      5.368098
  C      -9.383460      2.774154      6.001904
  C      -9.262192      4.104644      6.427257
  C     -10.395263      4.908934      6.541385
  C     -11.660474      4.398776      6.240354
  C     -11.764672      3.071664      5.819563
  Br    -13.494864      2.365352      5.402553
  C     -10.648843      2.254082      5.692581
  H      -2.164505     -1.013552      5.441442
  H      -4.026049     -2.384745      1.794039
  H      -4.372928     -4.812580      2.284900
  H      -4.897663     -5.552451      4.604172
  H      -4.705368     -1.461923      5.952905
  H      -5.544762      4.479150      4.302730
  H      -8.827815      7.756635      5.119096
  H      -9.814802      9.243635      6.885782
  H      -8.431527      9.933918      8.840771
  H      -5.104223      7.677868      7.252273
  H      -5.954126      1.534693      4.673178
  H      -8.273707      4.499112      6.658425
  H     -10.296791      5.946606      6.864846
  H     -12.550931      5.021007      6.328662
  H     -10.727347      1.220835      5.355251
  N      -2.003074      2.743048      3.304578
  H      -1.791182      2.924892      2.319067
73
Coordinates from ORCA-job orca E -13783.662989410766
  N      -1.934577      1.090664      5.846667
  Mo     -2.934217      2.557511      4.775319
  N      -4.671590      2.429325      6.028044
  C      -4.585472      3.164593      7.292455
  C      -3.163642      3.071632      7.805973
  N      -2.184966      3.484222      6.747033
  C      -0.845255      2.866619      6.987796
  C      -0.929551      1.332876      6.850884
  C      -2.123588      4.982359      6.627977
  C      -2.408759      5.411432      5.188347
  N      -3.527236      4.615481      4.686777
  H       0.055394      0.935731      6.556762
  H      -1.208559      0.854377      7.803146
  H      -0.167475      3.271472      6.224391
  H      -0.463903      3.154721      7.981179
  H      -2.649930      6.484388      5.158178
  H      -1.530787      5.223584      4.550360
  H      -2.899049      5.401166      7.282115
  H      -1.145577      5.341569      6.980095
  H      -5.276151      2.736818      8.035041
  H      -4.898007      4.214612      7.150315
  H      -2.951718      2.030701      8.076755
  H      -3.011078      3.696583      8.700664
  C      -2.463935      0.032474      5.277300
  N      -3.403033      0.444792      4.406792
  C      -4.123473     -0.332176      3.509984
  O      -4.614640      0.162569      2.501803
  C      -4.297250     -1.782624      3.845543
  C      -4.232977     -2.726422      2.811727
  C      -4.436745     -4.075650      3.090777
  C      -4.729731     -4.497214      4.391268
  C      -4.813797     -3.543598      5.404869
  Br     -5.242839     -4.098246      7.179676
  C      -4.596163     -2.190743      5.153646
  C      -4.757825      5.123813      4.719882
  N      -5.069036      6.293314      5.242121
  C      -6.374997      6.705918      5.028459
  O      -7.081410      6.375080      4.068327
  C      -6.915737      7.629243      6.085641
  C      -8.240291      8.076224      5.982876
  C      -8.781970      8.898814      6.968299
  C      -8.013419      9.290525      8.069183
  C      -6.696258      8.840684      8.155329
  Br     -5.628609      9.367752      9.657165
  C      -6.135037      8.019208      7.183527
  C      -5.902824      2.095466      5.615768
  N      -6.993460      2.448453      6.250068
  C      -8.184869      1.884432      5.822543
  O      -8.296947      0.740415      5.365267
  C      -9.382792      2.773942      5.999018
  C      -9.261061      4.104644      6.423518
  C     -10.393895      4.909225      6.537888
  C     -11.659384      4.399100      6.237954
  C     -11.764074      3.071771      5.818021
  Br    -13.494677      2.365531      5.402575
  C     -10.648461      2.253908      5.690794
  H      -2.163273     -1.012634      5.440632
  H      -4.027724     -2.387728      1.795983
  H      -4.376351     -4.814564      2.290428
  H      -4.900477     -5.550750      4.611016
  H      -4.703785     -1.458513      5.953939
  H      -5.545004      4.479313      4.302435
  H      -8.827953      7.758347      5.121280
  H      -9.813818      9.245380      6.888133
  H      -8.430624      9.933589      8.843814
  H      -5.104881      7.675135      7.255560
  H      -5.953015      1.534520      4.669569
  H      -8.272438      4.499259      6.653840
  H     -10.294897      5.947027      6.860717
  H     -12.549697      5.021518      6.326434
  H     -10.727498      1.220476      5.354163
  N      -2.002803      2.745242      3.302361
  H      -1.791625      2.928840      2.317017
73
Coordinates from ORCA-job orca E -13783.662990010673
  N      -1.932865      1.091559      5.844149
  Mo     -2.933921      2.558034      4.773832
  N      -4.671317      2.428506      6.026231
  C      -4.585705      3.162800      7.291264
  C      -3.163974      3.070019      7.805023
  N      -2.185464      3.484108      6.746607
  C      -0.845280      2.867509      6.986916
  C      -0.928291      1.333824      6.848823
  C      -2.125339      4.982323      6.628598
  C      -2.408809      5.411713      5.188806
  N      -3.527099      4.616079      4.686158
  H       0.057018      0.937718      6.554533
  H      -1.207056      0.854354      7.800667
  H      -0.167776      3.273564      6.223904
  H      -0.464207      3.155100      7.980562
  H      -2.649571      6.484752      5.158407
  H      -1.530319      5.223565      4.551608
  H      -2.902371      5.400023      7.281583
  H      -1.148306      5.342352      6.982620
  H      -5.276383      2.734132      8.033335
  H      -4.898623      4.212819      7.149919
  H      -2.951522      2.028981      8.074981
  H      -3.011952      3.694283      8.700298
  C      -2.462547      0.033086      5.275573
  N      -3.401533      0.444998      4.404834
  C      -4.123345     -0.332509      3.509669
  O      -4.615748      0.161449      2.501701
  C      -4.297445     -1.782587      3.846805
  C      -4.234770     -2.727391      2.813811
  C      -4.438898     -4.076261      3.094355
  C      -4.730639     -4.496468      4.395579
  C      -4.813108     -3.541871      5.408373
  Br     -5.240381     -4.094618      7.184220
  C      -4.595088     -2.189351      5.155610
  C      -4.757724      5.124278      4.719817
  N      -5.068900      6.293339      5.243184
  C      -6.374896      6.706078      5.029692
  O      -7.081401      6.375660      4.069492
  C      -6.915566      7.629071      6.087208
  C      -8.239759      8.077012      5.984210
  C      -8.781376      8.899123      6.970056
  C      -8.013106      9.289487      8.071618
  C      -6.696234      8.838838      8.157932
  Br     -5.628824      9.364262      9.660466
  C      -6.135108      8.017745      7.185733
  C      -5.902571      2.095174      5.613313
  N      -6.993231      2.447928      6.247561
  C      -8.184744      1.884266      5.820028
  O      -8.297037      0.740467      5.362227
  C      -9.382515      2.773908      5.996783
  C      -9.260616      4.104577      6.421254
  C     -10.393357      4.909247      6.535855
  C     -11.658972      4.399244      6.236262
  C     -11.763848      3.071903      5.816419
  Br    -13.494600      2.365683      5.401605
  C     -10.648321      2.253963      5.688876
  H      -2.162707     -1.012059      5.440158
  H      -4.030504     -2.389733      1.797525
  H      -4.379762     -4.815960      2.294640
  H      -4.901643     -5.549719      4.616503
  H      -4.701456     -1.456323      5.955345
  H      -5.544862      4.480132      4.301761
  H      -8.827335      7.760327      5.122120
  H      -9.812988      9.246340      6.889704
  H      -8.430377      9.932030      8.846643
  H      -5.105226      7.672934      7.258087
  H      -5.952429      1.534825      4.666731
  H      -8.271964      4.499214      6.651420
  H     -10.294117      5.947028      6.858657
  H     -12.549198      5.021768      6.324848
  H     -10.727594      1.220552      5.352251
  N      -2.003130      2.746725      3.300545
  H      -1.792537      2.931588      2.315312
73
Coordinates from ORCA-job orca E -13783.662990726276
  N      -1.931120      1.092462      5.841650
  Mo     -2.933692      2.558572      4.772354
  N      -4.671104      2.428423      6.024282
  C      -4.585777      3.161687      7.289958
  C      -3.164163      3.068650      7.803948
  N      -2.185793      3.484145      6.746074
  C      -0.845136      2.868500      6.985767
  C      -0.926919      1.334895      6.846671
  C      -2.126750      4.982430      6.629056
  C      -2.408366      5.412092      5.189068
  N      -3.526524      4.616934      4.685310
  H       0.058711      0.939754      6.552171
  H      -1.205339      0.854579      7.798189
  H      -0.168100      3.275681      6.222937
  H      -0.464100      3.155702      7.979545
  H      -2.648606      6.485245      5.158411
  H      -1.529303      5.223576      4.552755
  H      -2.905267      5.399122      7.280914
  H      -1.150644      5.343153      6.984966
  H      -5.276665      2.732415      8.031482
  H      -4.898781      4.211780      7.149320
  H      -2.951451      2.027382      8.072836
  H      -3.012531      3.692035      8.699915
  C      -2.461288      0.033664      5.274090
  N      -3.400248      0.445183      4.403219
  C      -4.123697     -0.332773      3.509850
  O      -4.617618      0.160487      2.502281
  C      -4.298077     -1.782519      3.848489
  C      -4.236864     -2.728297      2.816304
  C      -4.441229     -4.076833      3.098319
  C      -4.731753     -4.495747      4.400240
  C      -4.812832     -3.540188      5.412224
  Br     -5.238398     -4.091087      7.189082
  C      -4.594570     -2.187974      5.157950
  C      -4.757111      5.125208      4.719369
  N      -5.068108      6.293890      5.243883
  C      -6.374102      6.706884      5.030309
  O      -7.080363      6.377273      4.069688
  C      -6.915069      7.628964      6.088499
  C      -8.239024      8.077500      5.985375
  C      -8.780917      8.898462      6.972003
  C      -8.013116      9.287191      8.074473
  C      -6.696391      8.836147      8.160822
  Br     -5.629457      9.359533      9.664368
  C      -6.135013      8.016060      7.187881
  C      -5.902342      2.095393      5.610855
  N      -6.993019      2.447664      6.245295
  C      -8.184528      1.884304      5.817274
  O      -8.296779      0.740950      5.358381
  C      -9.382280      2.773872      5.994486
  C      -9.260454      4.104277      6.419725
  C     -10.393223      4.908853      6.534636
  C     -11.658832      4.399057      6.234713
  C     -11.763641      3.071918      5.814188
  Br    -13.494326      2.365732      5.399118
  C     -10.648090      2.254087      5.686199
  H      -2.162500     -1.011550      5.440101
  H      -4.033544     -2.391613      1.799506
  H      -4.383236     -4.817298      2.299229
  H      -4.902884     -5.548737      4.622318
  H      -4.699915     -1.454189      5.957130
  H      -5.544301      4.481613      4.300591
  H      -8.826219      7.762137      5.122535
  H      -9.812406      9.246023      6.891553
  H      -8.430718      9.928628      8.850233
  H      -5.105314      7.670764      7.260432
  H      -5.951933      1.535690      4.663880
  H      -8.271857      4.498821      6.650300
  H     -10.293991      5.946463      6.857992
  H     -12.549030      5.021593      6.323453
  H     -10.727340      1.220890      5.348918
  N      -2.003894      2.748002      3.298509
  H      -1.793914      2.933926      2.313348
73
Coordinates from ORCA-job orca E -13783.662990736357
  N      -1.930058      1.092946      5.840035
  Mo     -2.933717      2.558885      4.771437
  N      -4.671121      2.428879      6.022921
  C      -4.585839      3.161344      7.289088
  C      -3.164308      3.067801      7.803211
  N      -2.185995      3.484155      6.745717
  C      -0.845049      2.869058      6.984937
  C      -0.926086      1.335530      6.845255
  C      -2.127474      4.982487      6.629351
  C      -2.407840      5.412391      5.189252
  N      -3.525980      4.617686      4.684778
  H       0.059736      0.940973      6.550618
  H      -1.204251      0.854703      7.796591
  H      -0.168412      3.276913      6.222108
  H      -0.463888      3.156070      7.978723
  H      -2.647652      6.485644      5.158512
  H      -1.528397      5.223628      4.553527
  H      -2.906844      5.398592      7.280559
  H      -1.151899      5.343514      6.986438
  H      -5.277024      2.731843      8.030199
  H      -4.898687      4.211546      7.148913
  H      -2.951645      2.026278      8.071169
  H      -3.012812      3.690428      8.699736
  C      -2.460705      0.033929      5.273312
  N      -3.399666      0.445252      4.402403
  C      -4.124425     -0.332887      3.510318
  O      -4.619551      0.160018      2.503166
  C      -4.298754     -1.782473      3.849784
  C      -4.238378     -2.728805      2.818065
  C      -4.442684     -4.077168      3.100969
  C      -4.732296     -4.495367      4.403321
  C      -4.812554     -3.539254      5.414840
  Br     -5.236812     -4.089121      7.192344
  C      -4.594345     -2.187194      5.159666
  C      -4.756482      5.126144      4.719030
  N      -5.067285      6.294632      5.244234
  C      -6.373274      6.707817      5.030622
  O      -7.079343      6.378786      4.069688
  C      -6.914463      7.629160      6.089368
  C      -8.238486      8.077521      5.986516
  C      -8.780577      8.897639      6.973719
  C      -8.012868      9.285750      8.076472
  C      -6.696039      8.834979      8.162500
  Br     -5.629152      9.357572      9.666360
  C      -6.134457      8.015656      7.189004
  C      -5.902302      2.095817      5.609257
  N      -6.993002      2.447465      6.244038
  C      -8.184401      1.884234      5.815259
  O      -8.296376      0.741289      5.355367
  C      -9.382260      2.773587      5.992828
  C      -9.260666      4.103653      6.419175
  C     -10.393551      4.908032      6.534330
  C     -11.659038      4.398420      6.233620
  C     -11.763600      3.071587      5.812023
  Br    -13.494071      2.365502      5.395943
  C     -10.647950      2.253962      5.683707
  H      -2.162824     -1.011368      5.440407
  H      -4.035768     -2.392652      1.800948
  H      -4.385369     -4.818072      2.302235
  H      -4.903320     -5.548230      4.626094
  H      -4.699060     -1.452994      5.958555
  H      -5.543806      4.483006      4.299816
  H      -8.825465      7.762580      5.123365
  H      -9.812146      9.245015      6.893482
  H      -8.430652      9.926430      8.852759
  H      -5.104704      7.670485      7.261331
  H      -5.951780      1.536652      4.661971
  H      -8.272165      4.498038      6.650439
  H     -10.294540      5.945416      6.858504
  H     -12.549277      5.020866      6.322536
  H     -10.726967      1.221050      5.345503
  N      -2.004921      2.748694      3.297034
  H      -1.795353      2.935170      2.311893
73
Coordinates from ORCA-job orca E -13783.662991049059
  N      -1.929485      1.093106      5.839156
  Mo     -2.933944      2.558950      4.770988
  N      -4.671268      2.429399      6.022157
  C      -4.585927      3.161251      7.288686
  C      -3.164423      3.067251      7.802825
  N      -2.186151      3.484082      6.745546
  C      -0.845040      2.869277      6.984487
  C      -0.925636      1.335811      6.844474
  C      -2.127815      4.982438      6.629583
  C      -2.407548      5.412576      5.189463
  N      -3.525729      4.618198      4.684649
  H       0.060303      0.941601      6.549759
  H      -1.203638      0.854672      7.795704
  H      -0.168664      3.277501      6.221617
  H      -0.463765      3.156219      7.978248
  H      -2.647079      6.485900      5.158798
  H      -1.527923      5.223709      4.554016
  H      -2.907569      5.398243      7.280524
  H      -1.152473      5.343534      6.987257
  H      -5.277330      2.731641      8.029524
  H      -4.898592      4.211555      7.148859
  H      -2.951901      2.025517      8.070092
  H      -3.012920      3.689320      8.699740
  C      -2.460432      0.033937      5.272992
  N      -3.399472      0.445149      4.402140
  C      -4.125073     -0.333035      3.510801
  O      -4.620994      0.159774      2.503993
  C      -4.299143     -1.782590      3.850549
  C      -4.238895     -2.729134      2.819020
  C      -4.442987     -4.077455      3.102275
  C      -4.732274     -4.495413      4.404772
  C      -4.812432     -3.539077      5.416091
  Br     -5.236243     -4.088588      7.193813
  C      -4.594425     -2.187049      5.160579
  C      -4.756151      5.126789      4.719014
  N      -5.066861      6.295203      5.244498
  C      -6.372847      6.708458      5.030988
  O      -7.078927      6.379623      4.069997
  C      -6.914032      7.629511      6.090002
  C      -8.238325      8.077211      5.987667
  C      -8.780409      8.897100      6.975060
  C      -8.012407      9.285628      8.077460
  C      -6.695333      8.835489      8.162977
  Br     -5.628070      9.358578      9.666432
  C      -6.133736      8.016396      7.189291
  C      -5.902390      2.096154      5.608446
  N      -6.993101      2.447199      6.243592
  C      -8.184392      1.884046      5.814084
  O      -8.296088      0.741359      5.353588
  C      -9.382350      2.773231      5.991844
  C      -9.260927      4.103008      6.419176
  C     -10.393893      4.907255      6.534484
  C     -11.659253      4.397825      6.232941
  C     -11.763621      3.071288      5.810339
  Br    -13.493907      2.365456      5.393070
  C     -10.647906      2.253795      5.681864
  H      -2.163098     -1.011407      5.440747
  H      -4.036544     -2.393167      1.801789
  H      -4.385769     -4.818530      2.303688
  H      -4.903112     -5.548248      4.627810
  H      -4.699049     -1.452705      5.959349
  H      -5.543613      4.483908      4.299662
  H      -8.825356      7.761843      5.124702
  H      -9.812175      9.243989      6.895227
  H      -8.430130      9.926169      8.853896
  H      -5.103779      7.671734      7.261136
  H      -5.951886      1.537449      4.660901
  H      -8.272492      4.497186      6.651063
  H     -10.295103      5.944432      6.859405
  H     -12.549531      5.020188      6.322022
  H     -10.726705      1.221123      5.342867
  N      -2.006117      2.748963      3.296053
  H      -1.796899      2.935715      2.310892
73
Coordinates from ORCA-job orca E -13783.662990712693
  N      -1.929363      1.092978      5.838869
  Mo     -2.934345      2.558791      4.770972
  N      -4.671521      2.429526      6.022029
  C      -4.586123      3.160947      7.288803
  C      -3.164591      3.066737      7.802865
  N      -2.186369      3.483807      6.745658
  C      -0.845184      2.869121      6.984490
  C      -0.925549      1.335693      6.844220
  C      -2.128056      4.982180      6.629959
  C      -2.407672      5.412566      5.189896
  N      -3.525917      4.618361      4.685027
  H       0.060453      0.941689      6.549438
  H      -1.203466      0.854323      7.795360
  H      -0.168890      3.277547      6.221651
  H      -0.463903      3.155993      7.978268
  H      -2.647072      6.485926      5.159415
  H      -1.528039      5.223711      4.554453
  H      -2.907889      5.397853      7.280896
  H      -1.152755      5.343227      6.987798
  H      -5.277562      2.731167      8.029505
  H      -4.898738      4.211310      7.149286
  H      -2.952136      2.024891      8.069759
  H      -3.013039      3.688507      8.699980
  C      -2.460373      0.033744      5.272887
  N      -3.399547      0.444914      4.402163
  C      -4.125464     -0.333235      3.511052
  O      -4.621830      0.159666      2.504508
  C      -4.299076     -1.782869      3.850626
  C      -4.238633     -2.729299      2.819003
  C      -4.442355     -4.077698      3.102146
  C      -4.731476     -4.495853      4.404612
  C      -4.811824     -3.539625      5.416023
  Br     -5.235417     -4.089421      7.193702
  C      -4.594171     -2.187520      5.160642
  C      -4.756287      5.126985      4.719456
  N      -5.067010      6.295418      5.244884
  C      -6.372986      6.708643      5.031558
  O      -7.079320      6.379527      4.070825
  C      -6.913890      7.630067      6.090390
  C      -8.238472      8.077075      5.988551
  C      -8.780293      8.897488      6.975657
  C      -8.011740      9.287207      8.077250
  C      -6.694430      8.837672      8.162307
  Br     -5.626480      9.362315      9.664764
  C      -6.133079      8.018091      7.188902
  C      -5.902621      2.096154      5.608341
  N      -6.993322      2.446775      6.243744
  C      -8.184582      1.883707      5.813854
  O      -8.296165      0.741068      5.353272
  C      -9.382546      2.772884      5.991583
  C      -9.261120      4.102540      6.419340
  C     -10.394070      4.906812      6.534648
  C     -11.659376      4.397527      6.232626
  C     -11.763734      3.071138      5.809551
  Br    -13.493970      2.365626      5.391519
  C     -10.648040      2.253616      5.681128
  H      -2.163139     -1.011606      5.440793
  H      -4.036424     -2.393197      1.801788
  H      -4.384976     -4.818681      2.303485
  H      -4.902038     -5.548751      4.627554
  H      -4.698891     -1.453282      5.959496
  H      -5.543841      4.484135      4.300207
  H      -8.825819      7.760730      5.126160
  H      -9.812255      9.243893      6.896219
  H      -8.429172      9.928280      8.853407
  H      -5.102910      7.673963      7.260284
  H      -5.952189      1.537798      4.660600
  H      -8.272688      4.496545      6.651519
  H     -10.295349      5.943890      6.859915
  H     -12.549648      5.019890      6.321761
  H     -10.726782      1.221040      5.341814
  N      -2.007269      2.748980      3.295639
  H      -1.798358      2.935901      2.310443
