73
Coordinates from ORCA-job orca E -13783.330181598732
  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 -13783.368905703179
  N      -2.102495      1.063355      5.600132
  Mo     -3.664587      2.334115      5.104286
  N      -4.593470      1.503074      6.852307
  C      -4.348531      2.325722      8.033220
  C      -2.850083      2.533978      8.124415
  N      -2.379268      3.188473      6.870043
  C      -0.953096      2.850589      6.632152
  C      -0.847279      1.371369      6.234682
  C      -2.558661      4.663072      6.976778
  C      -3.121584      5.196233      5.672043
  N      -4.186395      4.291501      5.250063
  H      -0.004651      1.224010      5.543777
  H      -0.686923      0.720866      7.107261
  H      -0.586314      3.481589      5.814129
  H      -0.360144      3.058248      7.533933
  H      -3.523183      6.209616      5.799330
  H      -2.347722      5.214981      4.887637
  H      -3.282307      4.878441      7.770991
  H      -1.610349      5.154908      7.227328
  H      -4.713439      1.794011      8.924441
  H      -4.895453      3.278631      7.954868
  H      -2.375943      1.551473      8.222809
  H      -2.578991      3.142380      8.997253
  C      -2.452871     -0.007915      4.948525
  N      -3.640528      0.200078      4.366770
  C      -4.368208     -0.689246      3.621395
  O      -5.211496     -0.274677      2.820338
  C      -4.131806     -2.148831      3.817589
  C      -4.216236     -3.007833      2.716720
  C      -4.016931     -4.372868      2.885692
  C      -3.748622     -4.898869      4.148518
  C      -3.692279     -4.037622      5.240162
  Br     -3.343986     -4.736132      6.979214
  C      -3.879356     -2.668542      5.094238
  C      -5.394502      4.800777      5.015253
  N      -5.774262      6.021669      5.304253
  C      -7.013867      6.389142      4.805640
  O      -7.521783      5.883478      3.796691
  C      -7.707990      7.457327      5.573842
  C      -8.835523      8.079051      5.028615
  C      -9.535296      9.028137      5.764343
  C      -9.124381      9.362447      7.053496
  C      -7.998246      8.738453      7.583458
  Br     -7.430093      9.175546      9.349455
  C      -7.281095      7.794503      6.863292
  C      -5.729873      1.678029      6.177022
  N      -6.641761      2.596104      6.501155
  C      -7.720232      2.782544      5.687154
  O      -7.850942      2.277582      4.553024
  C      -8.720889      3.758022      6.206860
  C      -8.676589      4.223091      7.529769
  C      -9.593001      5.172553      7.968848
  C     -10.549785      5.680366      7.095182
  C     -10.579421      5.213562      5.779238
  Br    -11.873777      5.914446      4.581001
  C      -9.684574      4.256746      5.325838
  H      -1.830696     -0.901035      4.809816
  H      -4.433802     -2.587274      1.738089
  H      -4.073640     -5.038506      2.027991
  H      -3.593405     -5.965793      4.284625
  H      -3.863410     -2.016317      5.964333
  H      -6.141026      4.139858      4.565378
  H      -9.149406      7.800933      4.025544
  H     -10.414079      9.505584      5.337649
  H      -9.671605     10.096799      7.638702
  H      -6.404979      7.307728      7.280764
  H      -6.024705      0.850590      5.505752
  H      -7.917379      3.824711      8.196828
  H      -9.563982      5.525943      8.996840
  H     -11.264688      6.429899      7.423840
  H      -9.694437      3.903033      4.298622
  N      -2.745940      2.725945      3.351564
  H      -2.274920      2.903667      2.458390
73
Coordinates from ORCA-job orca E -13783.398127676166
  N      -2.071491      1.066042      5.608238
  Mo     -3.629706      2.343958      5.110230
  N      -4.562961      1.523137      6.856288
  C      -4.314745      2.345454      8.043073
  C      -2.818898      2.546808      8.128713
  N      -2.341759      3.200980      6.868339
  C      -0.912752      2.855853      6.628994
  C      -0.814102      1.376856      6.241195
  C      -2.517633      4.684389      6.970347
  C      -3.076264      5.212459      5.668788
  N      -4.144537      4.305538      5.253050
  H       0.029078      1.224913      5.550229
  H      -0.656467      0.728891      7.117486
  H      -0.546166      3.485162      5.808323
  H      -0.320015      3.068241      7.531245
  H      -3.477289      6.227823      5.790354
  H      -2.303407      5.225368      4.881157
  H      -3.239863      4.899802      7.767472
  H      -1.564716      5.169716      7.222728
  H      -4.678916      1.814743      8.937209
  H      -4.861093      3.300212      7.968910
  H      -2.342568      1.563864      8.223887
  H      -2.539721      3.157771      8.999143
  C      -2.439178     -0.008484      4.954602
  N      -3.626912      0.216796      4.378352
  C      -4.385182     -0.664519      3.624226
  O      -5.224109     -0.235799      2.836716
  C      -4.161508     -2.128928      3.818649
  C      -4.267040     -2.981718      2.710868
  C      -4.082541     -4.352917      2.872613
  C      -3.808552     -4.891288      4.134233
  C      -3.730843     -4.034809      5.232576
  Br     -3.376243     -4.748809      6.964336
  C      -3.902316     -2.659228      5.093960
  C      -5.372442      4.800672      5.006959
  N      -5.752213      6.016394      5.291548
  C      -7.007226      6.377971      4.789573
  O      -7.516930      5.872873      3.783292
  C      -7.709056      7.440826      5.564766
  C      -8.846188      8.051850      5.019732
  C      -9.555721      8.994841      5.760629
  C      -9.146374      9.333226      7.054219
  C      -8.010267      8.718777      7.583939
  Br     -7.445662      9.160074      9.353163
  C      -7.282439      7.781649      6.858023
  C      -5.721451      1.698367      6.183427
  N      -6.631706      2.601186      6.512929
  C      -7.727187      2.778877      5.676837
  O      -7.838754      2.273003      4.553012
  C      -8.735354      3.748154      6.194389
  C      -8.699099      4.212461      7.523856
  C      -9.627686      5.156061      7.962294
  C     -10.586714      5.658499      7.082319
  C     -10.606617      5.193266      5.758836
  Br    -11.902018      5.890133      4.557478
  C      -9.699876      4.243119      5.305804
  H      -1.826291     -0.909241      4.816645
  H      -4.489504     -2.553304      1.733421
  H      -4.155412     -5.016234      2.009978
  H      -3.665477     -5.963912      4.263154
  H      -3.870163     -2.011407      5.970168
  H      -6.104561      4.119832      4.550714
  H      -9.160780      7.771000      4.014770
  H     -10.442957      9.465866      5.335661
  H      -9.702448     10.063111      7.642419
  H      -6.398599      7.303210      7.276098
  H      -6.007386      0.877429      5.496867
  H      -7.938067      3.819374      8.196862
  H      -9.606376      5.509807      8.993780
  H     -11.310446      6.403975      7.410668
  H      -9.699589      3.893652      4.274940
  N      -2.770928      2.707785      3.478688
  H      -2.292792      2.856016      2.582813
73
Coordinates from ORCA-job orca E -13783.411880328409
  N      -2.043739      1.064415      5.614428
  Mo     -3.595146      2.355352      5.114198
  N      -4.543876      1.544320      6.856840
  C      -4.292289      2.364543      8.047348
  C      -2.796406      2.558620      8.128937
  N      -2.309809      3.212877      6.865602
  C      -0.879219      2.858918      6.625996
  C      -0.785868      1.377716      6.247259
  C      -2.482435      4.703037      6.964652
  C      -3.036578      5.228726      5.664159
  N      -4.106468      4.322403      5.255161
  H       0.058930      1.220895      5.558479
  H      -0.632367      0.733190      7.127263
  H      -0.512616      3.487081      5.803991
  H      -0.288503      3.076029      7.528847
  H      -3.437341      6.245544      5.779466
  H      -2.263982      5.236631      4.874887
  H      -3.203629      4.915408      7.764051
  H      -1.525470      5.179120      7.222156
  H      -4.656746      1.835724      8.943354
  H      -4.836976      3.321385      7.977730
  H      -2.318537      1.575809      8.221074
  H      -2.508003      3.172110      8.995414
  C      -2.430222     -0.008293      4.958970
  N      -3.615739      0.236161      4.388859
  C      -4.401555     -0.633080      3.627998
  O      -5.235407     -0.186432      2.853145
  C      -4.189120     -2.100500      3.820528
  C      -4.313918     -2.946701      2.708263
  C      -4.144122     -4.321329      2.863389
  C      -3.866562     -4.869451      4.121579
  C      -3.769100     -4.018457      5.223984
  Br     -3.411080     -4.746084      6.948747
  C      -3.924672     -2.639140      5.092030
  C      -5.345897      4.803831      4.996275
  N      -5.725789      6.016817      5.273627
  C      -6.991207      6.368583      4.766587
  O      -7.497608      5.860174      3.763539
  C      -7.702385      7.423106      5.547537
  C      -8.848261      8.021225      5.004249
  C      -9.567558      8.954530      5.749472
  C      -9.161215      9.295096      7.044980
  C      -8.016730      8.692200      7.572674
  Br     -7.457140      9.135433      9.344856
  C      -7.277652      7.766247      6.841914
  C      -5.720011      1.719256      6.193109
  N      -6.630033      2.606667      6.532226
  C      -7.737258      2.772796      5.676459
  O      -7.828197      2.263635      4.560107
  C      -8.749217      3.735914      6.193675
  C      -8.720801      4.195083      7.526411
  C      -9.660070      5.129417      7.964593
  C     -10.620066      5.627393      7.081304
  C     -10.629925      5.169303      5.753508
  Br    -11.925853      5.865518      4.550503
  C      -9.712339      4.229685      5.299941
  H      -1.829513     -0.917772      4.822904
  H      -4.540416     -2.512176      1.733392
  H      -4.231729     -4.981642      1.998309
  H      -3.735941     -5.945403      4.244176
  H      -3.878037     -1.996426      5.972377
  H      -6.057866      4.105902      4.529656
  H      -9.163025      7.738195      3.999140
  H     -10.462037      9.417343      5.327639
  H      -9.725920     10.017711      7.635860
  H      -6.387007      7.298124      7.259536
  H      -5.991251      0.910262      5.484544
  H      -7.959483      3.806654      8.202961
  H      -9.646450      5.480790      8.998154
  H     -11.351487      6.366519      7.410093
  H      -9.700161      3.889683      4.265263
  N      -2.788820      2.691662      3.603387
  H      -2.300251      2.799641      2.707474
73
Coordinates from ORCA-job orca E -13783.416845983549
  N      -2.021250      1.060098      5.622009
  Mo     -3.562073      2.365977      5.119810
  N      -4.543832      1.556892      6.850814
  C      -4.283992      2.362898      8.048679
  C      -2.785431      2.550102      8.128019
  N      -2.290025      3.216618      6.870824
  C      -0.858620      2.859802      6.627543
  C      -0.764225      1.374967      6.255637
  C      -2.467421      4.708463      6.975955
  C      -3.015450      5.237431      5.673620
  N      -4.085411      4.333343      5.266589
  H       0.083419      1.213749      5.571394
  H      -0.615431      0.735453      7.139864
  H      -0.496206      3.488570      5.804287
  H      -0.268938      3.083200      7.529301
  H      -3.417010      6.254558      5.784622
  H      -2.239961      5.243045      4.886931
  H      -3.191540      4.909220      7.775397
  H      -1.510356      5.177683      7.245113
  H      -4.648975      1.829057      8.941350
  H      -4.824453      3.323408      7.994132
  H      -2.305929      1.567564      8.210806
  H      -2.487743      3.159016      8.994502
  C      -2.423967     -0.006828      4.965456
  N      -3.611446      0.251170      4.406664
  C      -4.414494     -0.605590      3.646753
  O      -5.251136     -0.143168      2.884933
  C      -4.205583     -2.074629      3.826815
  C      -4.350077     -2.910503      2.709610
  C      -4.193330     -4.287190      2.852867
  C      -3.911199     -4.847343      4.103613
  C      -3.792629     -4.006113      5.210684
  Br     -3.432213     -4.751463      6.926693
  C      -3.932120     -2.624696      5.090167
  C      -5.318626      4.810509      4.978308
  N      -5.698443      6.026388      5.241270
  C      -6.956368      6.375907      4.714129
  O      -7.438040      5.879583      3.694405
  C      -7.687897      7.414006      5.498406
  C      -8.830198      8.009278      4.945807
  C      -9.566755      8.927451      5.691398
  C      -9.184446      9.252611      6.997181
  C      -8.046429      8.648750      7.535394
  Br     -7.522012      9.067320      9.324684
  C      -7.286862      7.742207      6.803000
  C      -5.726091      1.735458      6.199998
  N      -6.635445      2.613236      6.560916
  C      -7.747935      2.778159      5.705722
  O      -7.841348      2.261151      4.593056
  C      -8.755504      3.740186      6.229218
  C      -8.727179      4.189940      7.563191
  C      -9.678754      5.105544      8.011056
  C     -10.649823      5.594486      7.135786
  C     -10.654810      5.151817      5.804721
  Br    -11.962713      5.843756      4.610770
  C      -9.722819      4.233713      5.340098
  H      -1.837277     -0.925823      4.833417
  H      -4.584456     -2.467447      1.741062
  H      -4.296248     -4.940344      1.984707
  H      -3.793308     -5.925245      4.216984
  H      -3.872243     -1.990385      5.975264
  H      -6.006891      4.111771      4.478525
  H      -9.130221      7.734541      3.934455
  H     -10.457071      9.390433      5.262296
  H      -9.762057      9.964772      7.587593
  H      -6.399153      7.276846      7.228570
  H      -5.982281      0.962501      5.446705
  H      -7.958223      3.808932      8.234178
  H      -9.665538      5.451355      9.045954
  H     -11.390956      6.319121      7.472955
  H      -9.699841      3.913855      4.299382
  N      -2.740846      2.702654      3.625705
  H      -2.239015      2.783767      2.733479
73
Coordinates from ORCA-job orca E -13783.421851867348
  N      -1.988715      1.053544      5.634092
  Mo     -3.519161      2.374626      5.127258
  N      -4.540171      1.583928      6.850908
  C      -4.270971      2.386867      8.046447
  C      -2.770215      2.566475      8.122066
  N      -2.264435      3.231380      6.864175
  C      -0.832615      2.868770      6.621440
  C      -0.734375      1.378213      6.266806
  C      -2.446958      4.725677      6.963153
  C      -3.000356      5.248198      5.659423
  N      -4.069035      4.339053      5.267679
  H       0.116928      1.211119      5.588823
  H      -0.588053      0.750597      7.159553
  H      -0.474435      3.493058      5.793301
  H      -0.245325      3.105433      7.521285
  H      -3.406688      6.264289      5.764086
  H      -2.227867      5.251790      4.869838
  H      -3.169986      4.917567      7.765220
  H      -1.488614      5.188872      7.237474
  H      -4.635373      1.859051      8.942627
  H      -4.807198      3.350527      7.996983
  H      -2.289055      1.585608      8.205747
  H      -2.461634      3.180864      8.980850
  C      -2.412095     -0.006778      4.980357
  N      -3.599062      0.269423      4.431093
  C      -4.422804     -0.569819      3.671803
  O      -5.259975     -0.084535      2.925214
  C      -4.228246     -2.041012      3.841006
  C      -4.394328     -2.865622      2.718956
  C      -4.257138     -4.244558      2.850799
  C      -3.975061     -4.817554      4.094249
  C      -3.834646     -3.987172      5.205965
  Br     -3.476826     -4.751488      6.913354
  C      -3.952608     -2.603671      5.096614
  C      -5.305074      4.795457      4.969458
  N      -5.693531      6.009651      5.226411
  C      -6.964929      6.340729      4.721973
  O      -7.450086      5.845051      3.705784
  C      -7.693681      7.369457      5.521987
  C      -8.851916      7.953588      4.992092
  C      -9.576655      8.870463      5.748667
  C      -9.169319      9.203535      7.043771
  C      -8.020439      8.605046      7.561241
  Br     -7.464735      9.028831      9.340358
  C      -7.269889      7.702892      6.816593
  C      -5.732769      1.752362      6.222721
  N      -6.649455      2.614540      6.597237
  C      -7.760190      2.752604      5.729786
  O      -7.847081      2.196282      4.634950
  C      -8.765314      3.732865      6.217678
  C      -8.742916      4.225533      7.533441
  C      -9.703304      5.146229      7.947092
  C     -10.676741      5.596525      7.054943
  C     -10.673371      5.114238      5.740837
  Br    -11.985624      5.756781      4.521960
  C      -9.732003      4.191500      5.309149
  H      -1.843377     -0.937790      4.855941
  H      -4.631300     -2.413186      1.756143
  H      -4.376049     -4.890039      1.979802
  H      -3.874263     -5.897462      4.198586
  H      -3.878151     -1.978587      5.986476
  H      -5.975997      4.078857      4.467590
  H      -9.172925      7.672712      3.989473
  H     -10.476708      9.328692      5.336841
  H      -9.735076      9.918802      7.641211
  H      -6.370333      7.247189      7.225798
  H      -5.957755      1.015573      5.424120
  H      -7.973030      3.875130      8.218478
  H      -9.695450      5.527690      8.968802
  H     -11.427052      6.321550      7.367532
  H      -9.702266      3.840484      4.278548
  N      -2.672141      2.709865      3.638140
  H      -2.155181      2.741156      2.750942
73
Coordinates from ORCA-job orca E -13783.425769405809
  N      -1.949316      1.041464      5.656016
  Mo     -3.462028      2.384338      5.141706
  N      -4.528897      1.613122      6.849774
  C      -4.249963      2.405540      8.048265
  C      -2.748768      2.572020      8.127068
  N      -2.230033      3.235682      6.870921
  C      -0.798445      2.864958      6.636628
  C      -0.700396      1.370626      6.295134
  C      -2.413005      4.732488      6.968709
  C      -2.969707      5.254162      5.665347
  N      -4.036781      4.342607      5.278200
  H       0.157104      1.198002      5.626561
  H      -0.561288      0.751738      7.194993
  H      -0.437304      3.484266      5.806306
  H      -0.215533      3.108562      7.537655
  H      -3.377401      6.269961      5.768624
  H      -2.198335      5.257658      4.875180
  H      -3.136972      4.917584      7.771262
  H      -1.453802      5.189343      7.249570
  H      -4.616922      1.881197      8.945382
  H      -4.779313      3.373810      8.004850
  H      -2.271841      1.589378      8.210713
  H      -2.433255      3.186244      8.983485
  C      -2.393091     -0.007572      4.998991
  N      -3.574566      0.295513      4.451462
  C      -4.417478     -0.516505      3.681847
  O      -5.242847      0.001002      2.944214
  C      -4.252337     -1.992122      3.831668
  C      -4.432859     -2.796845      2.697287
  C      -4.325510     -4.179898      2.809901
  C      -4.060295     -4.775957      4.045809
  C      -3.905837     -3.964922      5.169699
  Br     -3.572411     -4.761180      6.866968
  C      -3.993372     -2.577899      5.079631
  C      -5.274370      4.780110      4.961244
  N      -5.674806      5.994027      5.197311
  C      -6.944617      6.307634      4.677386
  O      -7.412767      5.797170      3.661359
  C      -7.693321      7.331272      5.465826
  C      -8.855617      7.895360      4.923361
  C      -9.594971      8.811916      5.665558
  C      -9.199677      9.163365      6.959331
  C      -8.048459      8.582241      7.489984
  Br     -7.510737      9.027367      9.269646
  C      -7.282129      7.682357      6.759263
  C      -5.731682      1.778066      6.249104
  N      -6.656575      2.616030      6.651742
  C      -7.769184      2.752023      5.782009
  O      -7.863530      2.186887      4.692145
  C      -8.776993      3.726408      6.274953
  C      -8.758619      4.210626      7.592471
  C      -9.728049      5.119327      8.011304
  C     -10.706615      5.565143      7.123029
  C     -10.697381      5.093788      5.806416
  Br    -12.012946      5.737299      4.589442
  C      -9.747413      4.183289      5.368834
  H      -1.845350     -0.951947      4.881559
  H      -4.657740     -2.326663      1.740301
  H      -4.454866     -4.810855      1.930041
  H      -3.983766     -5.859068      4.134968
  H      -3.910005     -1.968348      5.979249
  H      -5.926723      4.046388      4.458343
  H      -9.168776      7.599548      3.922617
  H     -10.497345      9.256198      5.243931
  H      -9.775679      9.879771      7.545035
  H      -6.379638      7.243089      7.179226
  H      -5.927282      1.083524      5.404922
  H      -7.986445      3.863377      8.276019
  H      -9.723517      5.495476      9.034854
  H     -11.464863      6.279298      7.441085
  H      -9.713047      3.841758      4.335468
  N      -2.583634      2.720585      3.664965
  H      -2.051234      2.695315      2.787070
73
Coordinates from ORCA-job orca E -13783.428765180886
  N      -1.913126      1.031372      5.676293
  Mo     -3.413596      2.388261      5.154455
  N      -4.518986      1.636381      6.846419
  C      -4.231205      2.416664      8.050616
  C      -2.730187      2.575214      8.131442
  N      -2.204981      3.238191      6.875430
  C      -0.771811      2.866431      6.649662
  C      -0.669892      1.368485      6.321060
  C      -2.394243      4.736991      6.970514
  C      -2.961303      5.254662      5.668704
  N      -4.021977      4.333877      5.287142
  H       0.193451      1.192923      5.660681
  H      -0.534624      0.758255      7.227453
  H      -0.409316      3.479825      5.815563
  H      -0.191771      3.118192      7.550403
  H      -3.374552      6.268081      5.774300
  H      -2.194062      5.262967      4.874671
  H      -3.118031      4.915933      7.774699
  H      -1.436651      5.196516      7.251318
  H      -4.598009      1.892397      8.948031
  H      -4.758061      3.387033      8.013921
  H      -2.256446      1.590971      8.215358
  H      -2.411789      3.188294      8.987514
  C      -2.370890     -0.009026      5.014951
  N      -3.548969      0.314945      4.470153
  C      -4.406005     -0.473123      3.689805
  O      -5.222166      0.071088      2.961283
  C      -4.265038     -1.951860      3.819394
  C      -4.457962     -2.738533      2.674054
  C      -4.374512     -4.124730      2.768944
  C      -4.121519     -4.741093      3.997773
  C      -3.954486     -3.947512      5.132534
  Br     -3.638459     -4.771345      6.819740
  C      -4.017770     -2.557892      5.060201
  C      -5.265343      4.749760      4.961462
  N      -5.681201      5.960243      5.184294
  C      -6.958599      6.253582      4.668933
  O      -7.420235      5.736434      3.653456
  C      -7.708781      7.286020      5.444067
  C      -8.872778      7.840003      4.894324
  C      -9.608021      8.773248      5.619618
  C      -9.207733      9.150917      6.904726
  C      -8.057142      8.576616      7.444484
  Br     -7.514930      9.053938      9.214443
  C      -7.293741      7.661242      6.729693
  C      -5.734030      1.791088      6.273845
  N      -6.672552      2.596364      6.703600
  C      -7.791475      2.721467      5.838492
  O      -7.897886      2.141764      4.758056
  C      -8.790414      3.713303      6.317314
  C      -8.764356      4.223484      7.624593
  C      -9.728707      5.144661      8.029307
  C     -10.711432      5.575184      7.137775
  C     -10.709891      5.077150      5.831134
  Br    -12.031414      5.697792      4.607151
  C      -9.764399      4.155163      5.407065
  H      -1.839781     -0.963746      4.903910
  H      -4.674076     -2.252562      1.722880
  H      -4.513330     -4.742335      1.881030
  H      -4.064325     -5.826541      4.073026
  H      -3.925997     -1.961910      5.968173
  H      -5.907082      3.998196      4.470306
  H      -9.190139      7.524308      3.900989
  H     -10.510568      9.211039      5.191573
  H      -9.778817      9.882560      7.476207
  H      -6.389933      7.230672      7.156019
  H      -5.903213      1.139189      5.388885
  H      -7.990783      3.887057      8.312052
  H      -9.717836      5.541621      9.045062
  H     -11.468134      6.295178      7.446707
  H      -9.738226      3.790674      4.381236
  N      -2.510072      2.727324      3.694514
  H      -1.966856      2.648536      2.826316
73
Coordinates from ORCA-job orca E -13783.431070924869
  N      -1.883392      1.021723      5.702169
  Mo     -3.368323      2.392521      5.166929
  N      -4.513912      1.664124      6.838936
  C      -4.219974      2.427021      8.053506
  C      -2.718513      2.576288      8.139750
  N      -2.183769      3.237736      6.885487
  C      -0.748590      2.863718      6.673150
  C      -0.645936      1.361897      6.355894
  C      -2.376568      4.738364      6.975414
  C      -2.950151      5.252936      5.672801
  N      -4.004199      4.323650      5.292342
  H       0.223903      1.181148      5.705362
  H      -0.518183      0.758614      7.268042
  H      -0.380010      3.469166      5.835918
  H      -0.172387      3.120968      7.574753
  H      -3.366909      6.264527      5.781791
  H      -2.185359      5.265757      4.876457
  H      -3.101301      4.916182      7.779159
  H      -1.421210      5.203122      7.254109
  H      -4.590342      1.899337      8.947570
  H      -4.743370      3.399774      8.023914
  H      -2.252022      1.588671      8.224833
  H      -2.400865      3.185223      8.998891
  C      -2.350068     -0.010820      5.034434
  N      -3.523064      0.332120      4.487532
  C      -4.387255     -0.432109      3.691891
  O      -5.190578      0.136954      2.967321
  C      -4.271932     -1.913665      3.800527
  C      -4.469922     -2.682275      2.643678
  C      -4.410875     -4.070982      2.721484
  C      -4.177558     -4.707175      3.944528
  C      -4.005280     -3.931088      5.090795
  Br     -3.716803     -4.781484      6.769663
  C      -4.044184     -2.539563      5.035747
  C      -5.250062      4.726256      4.955153
  N      -5.672937      5.937623      5.154980
  C      -6.949725      6.220338      4.630739
  O      -7.412249      5.674878      3.630233
  C      -7.710514      7.252206      5.395060
  C      -8.882089      7.785718      4.840939
  C      -9.622366      8.725791      5.552407
  C      -9.219987      9.129517      6.829215
  C      -8.062953      8.573464      7.375031
  Br     -7.519727      9.083366      9.135317
  C      -7.293953      7.652503      6.673035
  C      -5.738430      1.810864      6.289607
  N      -6.688635      2.582511      6.747924
  C      -7.810735      2.710919      5.890780
  O      -7.942215      2.114084      4.822521
  C      -8.806493      3.707367      6.372504
  C      -8.769025      4.228262      7.675393
  C      -9.730189      5.152755      8.081845
  C     -10.723324      5.574218      7.197233
  C     -10.733633      5.064246      5.894975
  Br    -12.068517      5.670247      4.677500
  C      -9.790560      4.139884      5.468964
  H      -1.834438     -0.974886      4.931062
  H      -4.671094     -2.180569      1.697282
  H      -4.553747     -4.674809      1.824683
  H      -4.139905     -5.794436      4.006415
  H      -3.949817     -1.956638      5.951959
  H      -5.888719      3.962990      4.477619
  H      -9.200752      7.449520      3.854733
  H     -10.530247      9.148095      5.119995
  H      -9.794301      9.867432      7.389442
  H      -6.384436      7.237874      7.103310
  H      -5.891390      1.204371      5.367724
  H      -7.989105      3.897306      8.358659
  H      -9.709227      5.558377      9.094173
  H     -11.479159      6.294141      7.508720
  H      -9.774827      3.765617      4.446373
  N      -2.433696      2.733348      3.720189
  H      -1.881092      2.610386      2.862727
73
Coordinates from ORCA-job orca E -13783.432854978215
  N      -1.862856      1.014483      5.723790
  Mo     -3.344125      2.388494      5.182787
  N      -4.513798      1.673071      6.837591
  C      -4.216184      2.413862      8.065955
  C      -2.714466      2.564813      8.151636
  N      -2.178790      3.231478      6.899808
  C      -0.739910      2.864766      6.694972
  C      -0.629580      1.360839      6.382418
  C      -2.382955      4.732077      6.987355
  C      -2.969925      5.243893      5.686994
  N      -4.013188      4.300642      5.307747
  H       0.244539      1.181643      5.737126
  H      -0.502720      0.760972      7.296962
  H      -0.371415      3.466686      5.855218
  H      -0.165850      3.127497      7.596247
  H      -3.395965      6.250432      5.804980
  H      -2.210442      5.269060      4.885868
  H      -3.105560      4.905036      7.794243
  H      -1.431460      5.208798      7.258473
  H      -4.583867      1.874314      8.953948
  H      -4.743353      3.385115      8.049554
  H      -2.249330      1.576278      8.233129
  H      -2.399321      3.168408      9.015403
  C      -2.329100     -0.013207      5.047401
  N      -3.502254      0.337715      4.503204
  C      -4.366347     -0.408153      3.690981
  O      -5.163391      0.179599      2.973578
  C      -4.261922     -1.891644      3.772480
  C      -4.459054     -2.639492      2.601941
  C      -4.410587     -4.029880      2.657181
  C      -4.188750     -4.688066      3.871100
  C      -4.017173     -3.932349      5.031253
  Br     -3.745371     -4.812543      6.697473
  C      -4.045529     -2.539677      4.999032
  C      -5.265263      4.688305      4.969087
  N      -5.697579      5.898152      5.150949
  C      -6.977933      6.164127      4.624859
  O      -7.430012      5.613816      3.621921
  C      -7.732584      7.224091      5.354855
  C      -8.892903      7.756378      4.776060
  C      -9.625552      8.727528      5.453229
  C      -9.226878      9.163711      6.720708
  C      -8.082035      8.607920      7.292729
  Br     -7.547147      9.160051      9.042494
  C      -7.319887      7.656547      6.624079
  C      -5.749854      1.804483      6.312920
  N      -6.712674      2.535223      6.805944
  C      -7.848479      2.660076      5.971319
  O      -8.010809      2.048578      4.915595
  C      -8.818258      3.687791      6.446007
  C      -8.750817      4.236448      7.736415
  C      -9.685435      5.191162      8.135999
  C     -10.682978      5.614683      7.256897
  C     -10.723504      5.075202      5.966867
  Br    -12.062761      5.681259      4.753925
  C      -9.806655      4.120843      5.547972
  H      -1.819621     -0.980804      4.946362
  H      -4.651553     -2.120415      1.662891
  H      -4.553050     -4.617557      1.749408
  H      -4.159774     -5.776660      3.915309
  H      -3.952877     -1.972180      5.925162
  H      -5.903369      3.914129      4.508533
  H      -9.208776      7.394557      3.797819
  H     -10.524500      9.148369      5.000763
  H      -9.794844      9.926505      7.253719
  H      -6.419119      7.242945      7.073637
  H      -5.897337      1.244766      5.358707
  H      -7.968671      3.902437      8.416149
  H      -9.639993      5.618486      9.138806
  H     -11.419154      6.356903      7.563796
  H      -9.815201      3.722109      4.534484
  N      -2.391246      2.739786      3.749000
  H      -1.834088      2.592805      2.897996
73
Coordinates from ORCA-job orca E -13783.434307678201
  N      -1.855164      1.008391      5.751936
  Mo     -3.328027      2.384800      5.190888
  N      -4.523764      1.697510      6.830864
  C      -4.226084      2.422455      8.069362
  C      -2.723553      2.571507      8.158091
  N      -2.179552      3.232574      6.907227
  C      -0.738176      2.865672      6.716839
  C      -0.625792      1.357982      6.416562
  C      -2.387196      4.733781      6.980409
  C      -2.980336      5.237762      5.677466
  N      -4.016327      4.283591      5.302224
  H       0.253009      1.173086      5.779345
  H      -0.505367      0.764982      7.336401
  H      -0.364414      3.458171      5.872840
  H      -0.168990      3.136406      7.618633
  H      -3.412518      6.241173      5.798244
  H      -2.223940      5.268738      4.873756
  H      -3.107677      4.912421      7.788045
  H      -1.437461      5.219358      7.241672
  H      -4.596190      1.876105      8.951828
  H      -4.753640      3.393639      8.058457
  H      -2.263611      1.581037      8.244035
  H      -2.411601      3.174680      9.023303
  C      -2.316725     -0.018371      5.070423
  N      -3.488358      0.335563      4.522891
  C      -4.346514     -0.396360      3.693470
  O      -5.135466      0.205397      2.977870
  C      -4.249270     -1.880915      3.754284
  C      -4.440792     -2.612831      2.572986
  C      -4.398081     -4.004032      2.610939
  C      -4.187176     -4.678584      3.817882
  C      -4.020655     -3.938446      4.988880
  Br     -3.764081     -4.841027      6.645431
  C      -4.043477     -2.545390      4.974308
  C      -5.272993      4.665359      4.968307
  N      -5.701595      5.878466      5.131458
  C      -6.988341      6.139479      4.617037
  O      -7.463272      5.556398      3.643761
  C      -7.734995      7.206051      5.344806
  C      -8.908022      7.725148      4.779740
  C      -9.627683      8.709241      5.452313
  C      -9.203481      9.170705      6.702456
  C      -8.047523      8.625993      7.263047
  Br     -7.480144      9.210175      8.991790
  C      -7.297932      7.662548      6.597585
  C      -5.767322      1.811780      6.321490
  N      -6.740271      2.510496      6.837848
  C      -7.886337      2.622219      6.020849
  O      -8.085028      1.964014      4.999866
  C      -8.838075      3.677480      6.475673
  C      -8.737467      4.276501      7.741218
  C      -9.654395      5.255579      8.122464
  C     -10.669026      5.652053      7.249837
  C     -10.743824      5.060415      5.984637
  Br    -12.110889      5.620977      4.780591
  C      -9.843635      4.082160      5.583841
  H      -1.811756     -0.989184      4.977869
  H      -4.624599     -2.080749      1.639410
  H      -4.536593     -4.579184      1.694500
  H      -4.162815     -5.767814      3.848446
  H      -3.955056     -1.989477      5.907844
  H      -5.920553      3.883859      4.534464
  H      -9.242162      7.344320      3.814876
  H     -10.535718      9.120385      5.009204
  H      -9.760656      9.944795      7.230860
  H      -6.387803      7.258283      7.036772
  H      -5.916147      1.288766      5.345291
  H      -7.944182      3.960827      8.417064
  H      -9.582810      5.721696      9.106388
  H     -11.393972      6.410110      7.544427
  H      -9.880499      3.640468      4.588866
  N      -2.355760      2.733601      3.770638
  H      -1.792872      2.572747      2.925869
73
Coordinates from ORCA-job orca E -13783.435586675772
  N      -1.858699      1.000409      5.780511
  Mo     -3.329499      2.374507      5.204453
  N      -4.538693      1.709930      6.834184
  C      -4.240411      2.416146      8.083228
  C      -2.737260      2.568150      8.170478
  N      -2.189987      3.227254      6.921077
  C      -0.746597      2.862688      6.739484
  C      -0.630752      1.352950      6.446591
  C      -2.401794      4.727947      6.983279
  C      -3.002894      5.226502      5.680295
  N      -4.032664      4.262845      5.308093
  H       0.250041      1.165436      5.813068
  H      -0.512630      0.764252      7.369441
  H      -0.371260      3.449478      5.892312
  H      -0.181153      3.140046      7.641418
  H      -3.442735      6.225772      5.806241
  H      -2.250264      5.266032      4.873794
  H      -3.117159      4.911349      7.794419
  H      -1.452730      5.221190      7.232650
  H      -4.608491      1.858055      8.958742
  H      -4.770588      3.385912      8.083065
  H      -2.279037      1.577089      8.257667
  H      -2.427230      3.170715      9.036844
  C      -2.309933     -0.026738      5.093247
  N      -3.483105      0.323143      4.544630
  C      -4.329655     -0.396354      3.695228
  O      -5.114155      0.217824      2.984093
  C      -4.228355     -1.881293      3.727089
  C      -4.409324     -2.590863      2.530850
  C      -4.360591     -3.982309      2.542200
  C      -4.153610     -4.679185      3.736868
  C      -3.997354     -3.961225      4.923001
  Br     -3.746443     -4.894824      6.563064
  C      -4.026609     -2.568415      4.935410
  C      -5.294066      4.641474      4.984048
  N      -5.718876      5.858010      5.126506
  C      -7.008033      6.110062      4.612453
  O      -7.485636      5.510295      3.650841
  C      -7.746106      7.200183      5.312857
  C      -8.915713      7.713256      4.735445
  C      -9.626720      8.720482      5.382600
  C      -9.197382      9.211063      6.619675
  C      -8.045212      8.672180      7.193586
  Br     -7.473449      9.294788      8.907280
  C      -7.303968      7.686166      6.552604
  C      -5.789817      1.804150      6.342494
  N      -6.768145      2.470813      6.889792
  C      -7.930733      2.572860      6.100778
  O      -8.170572      1.875817      5.114492
  C      -8.852371      3.661409      6.541610
  C      -8.710650      4.297685      7.784559
  C      -9.596704      5.309057      8.153678
  C     -10.620651      5.701587      7.290223
  C     -10.736294      5.072409      6.046944
  Br    -12.113278      5.628881      4.852105
  C      -9.868258      4.060194      5.659262
  H      -1.802258     -0.996529      5.004834
  H      -4.589588     -2.041332      1.606761
  H      -4.491249     -4.539794      1.613783
  H      -4.124492     -5.768660      3.746507
  H      -3.946194     -2.029863      5.879682
  H      -5.949011      3.855036      4.572883
  H      -9.253703      7.309251      3.781382
  H     -10.532148      9.126380      4.929413
  H      -9.748184     10.002925      7.128096
  H      -6.397035      7.285468      7.001480
  H      -5.950414      1.313788      5.350879
  H      -7.910715      3.983913      8.453513
  H      -9.492731      5.804392      9.120293
  H     -11.320970      6.485895      7.575202
  H      -9.937391      3.587744      4.680397
  N      -2.344461      2.726286      3.789862
  H      -1.778373      2.575377      2.945385
73
Coordinates from ORCA-job orca E -13783.436789502808
  N      -1.870180      0.991592      5.814169
  Mo     -3.337325      2.361937      5.214747
  N      -4.557278      1.731503      6.839073
  C      -4.259158      2.427824      8.092606
  C      -2.755546      2.580211      8.179434
  N      -2.202002      3.228048      6.928438
  C      -0.758028      2.860192      6.757391
  C      -0.642370      1.347533      6.479031
  C      -2.411669      4.729107      6.972121
  C      -3.017104      5.216858      5.666490
  N      -4.045745      4.247532      5.302843
  H       0.239383      1.152596      5.849335
  H      -0.527861      0.767230      7.407589
  H      -0.379467      3.437710      5.905401
  H      -0.197402      3.147379      7.659124
  H      -3.462105      6.214132      5.789946
  H      -2.266873      5.257112      4.858237
  H      -3.120610      4.924497      7.786048
  H      -1.460276      5.224556      7.208486
  H      -4.626587      1.864047      8.964335
  H      -4.789698      3.397290      8.097129
  H      -2.299790      1.588872      8.274790
  H      -2.446091      3.188306      9.042199
  C      -2.309987     -0.039456      5.125675
  N      -3.483908      0.302671      4.573682
  C      -4.317002     -0.405793      3.704403
  O      -5.096584      0.220365      2.997266
  C      -4.208717     -1.890308      3.707999
  C      -4.378124     -2.576108      2.496472
  C      -4.318924     -3.967013      2.479249
  C      -4.112484     -4.686881      3.659919
  C      -3.967792     -3.992647      4.861505
  Br     -3.718013     -4.958387      6.482856
  C      -4.008046     -2.600856      4.902801
  C      -5.311906      4.626700      4.996760
  N      -5.728287      5.847954      5.120986
  C      -7.024562      6.092465      4.619865
  O      -7.519060      5.469023      3.682626
  C      -7.749347      7.200558      5.305526
  C      -8.927963      7.701267      4.735757
  C      -9.626463      8.724873      5.370631
  C      -9.175545      9.244243      6.587900
  C      -8.014464      8.717604      7.154932
  Br     -7.414063      9.379342      8.844070
  C      -7.285729      7.715519      6.525203
  C      -5.815503      1.799990      6.363598
  N      -6.797231      2.440444      6.936063
  C      -7.979163      2.519455      6.175698
  O      -8.252786      1.775931      5.233073
  C      -8.871927      3.643734      6.585673
  C      -8.693531      4.328959      7.797130
  C      -9.553027      5.371836      8.139606
  C     -10.585775      5.747915      7.279505
  C     -10.737854      5.069917      6.066998
  Br    -12.126808      5.603551      4.875020
  C      -9.897919      4.024357      5.706954
  H      -1.796917     -1.007078      5.044752
  H      -4.557202     -2.008839      1.583079
  H      -4.440796     -4.505826      1.538812
  H      -4.075068     -5.775967      3.647079
  H      -3.936506     -2.081493      5.858292
  H      -5.976905      3.835539      4.614099
  H      -9.282542      7.274585      3.797829
  H     -10.538970      9.121019      4.923243
  H      -9.716974     10.048621      7.086453
  H      -6.372297      7.323350      6.968168
  H      -5.987838      1.327096      5.366436
  H      -7.887737      4.026684      8.464152
  H      -9.421335      5.905083      9.082297
  H     -11.264866      6.557563      7.543655
  H      -9.997662      3.510804      4.751811
  N      -2.342987      2.707994      3.806537
  H      -1.774292      2.581094      2.960144
73
Coordinates from ORCA-job orca E -13783.438036996549
  N      -1.884501      0.978532      5.856032
  Mo     -3.342355      2.347173      5.224209
  N      -4.577252      1.760633      6.841784
  C      -4.280840      2.451512      8.096935
  C      -2.776867      2.598953      8.188432
  N      -2.211378      3.229746      6.935406
  C      -0.768026      2.852683      6.779310
  C      -0.657097      1.336515      6.520944
  C      -2.412696      4.732265      6.957172
  C      -3.015225      5.207535      5.645714
  N      -4.046893      4.237473      5.290299
  H       0.226119      1.129405      5.897470
  H      -0.550277      0.767671      7.457448
  H      -0.381956      3.418314      5.922801
  H      -0.214642      3.150689      7.681971
  H      -3.462070      6.205263      5.759378
  H      -2.263257      5.241167      4.839263
  H      -3.116976      4.944107      7.770927
  H      -1.456926      5.223745      7.184560
  H      -4.652021      1.886589      8.966117
  H      -4.807666      3.422825      8.102197
  H      -2.325859      1.606843      8.296885
  H      -2.468119      3.215202      9.045705
  C      -2.312888     -0.057797      5.168320
  N      -3.484321      0.277304      4.608114
  C      -4.303009     -0.416998      3.716675
  O      -5.074390      0.225176      3.013577
  C      -4.190631     -1.900394      3.689560
  C      -4.349208     -2.558058      2.461085
  C      -4.280828     -3.947646      2.410939
  C      -4.075477     -4.693967      3.574854
  C      -3.941616     -4.027811      4.793438
  Br     -3.693630     -5.030399      6.392316
  C      -3.991654     -2.637888      4.867868
  C      -5.316148      4.618144      5.000812
  N      -5.726311      5.843518      5.105577
  C      -7.029311      6.076157      4.614272
  O      -7.533872      5.432568      3.696526
  C      -7.745035      7.202171      5.279959
  C      -8.931383      7.687199      4.712808
  C      -9.626671      8.720769      5.334671
  C      -9.164741      9.265992      6.536177
  C      -7.994149      8.756994      7.099407
  Br     -7.377169      9.456393      8.767540
  C      -7.268811      7.745139      6.482027
  C      -5.842035      1.803445      6.381474
  N      -6.822395      2.425279      6.975927
  C      -8.021485      2.490311      6.240926
  O      -8.326852      1.708262      5.340570
  C      -8.893770      3.634291      6.638781
  C      -8.685271      4.344497      7.830520
  C      -9.525186      5.405932      8.163637
  C     -10.566636      5.776876      7.312254
  C     -10.748760      5.074118      6.118898
  Br    -12.148173      5.603559      4.936541
  C      -9.930584      4.007957      5.769669
  H      -1.793567     -1.022946      5.097805
  H      -4.526516     -1.970430      1.560494
  H      -4.394447     -4.464619      1.457452
  H      -4.030679     -5.782046      3.536175
  H      -3.928372     -2.141563      5.835963
  H      -5.988365      3.821010      4.645621
  H      -9.295776      7.238768      3.789027
  H     -10.546276      9.103584      4.890422
  H      -9.705583     10.075926      7.025835
  H      -6.349505      7.364621      6.922764
  H      -6.023262      1.337206      5.384749
  H      -7.872507      4.046435      8.490664
  H      -9.370748      5.959009      9.091213
  H     -11.227512      6.604300      7.566898
  H     -10.055501      3.473503      4.829132
  N      -2.333918      2.682474      3.824475
  H      -1.761453      2.596352      2.975829
73
Coordinates from ORCA-job orca E -13783.439424812777
  N      -1.897642      0.964463      5.902919
  Mo     -3.344805      2.330645      5.234064
  N      -4.595417      1.796117      6.846225
  C      -4.300096      2.490492      8.097739
  C      -2.795965      2.629537      8.195837
  N      -2.216991      3.236199      6.938097
  C      -0.775072      2.847039      6.798389
  C      -0.670814      1.326951      6.566731
  C      -2.406189      4.740962      6.934474
  C      -3.003109      5.199770      5.615785
  N      -4.040868      4.231771      5.273239
  H       0.213666      1.104534      5.950578
  H      -0.572278      0.774081      7.513617
  H      -0.380349      3.397948      5.936314
  H      -0.229117      3.158665      7.701038
  H      -3.448710      6.200059      5.712807
  H      -2.248273      5.219057      4.812058
  H      -3.106512      4.972242      7.746241
  H      -1.444633      5.224248      7.155057
  H      -4.676360      1.931013      8.968281
  H      -4.821012      3.464784      8.098658
  H      -2.350707      1.637084      8.323020
  H      -2.487073      3.258057      9.044106
  C      -2.315404     -0.078707      5.219480
  N      -3.483583      0.249233      4.650260
  C      -4.291469     -0.427742      3.738653
  O      -5.053635      0.235213      3.043006
  C      -4.179271     -1.909028      3.677523
  C      -4.332669     -2.534236      2.431324
  C      -4.258821     -3.921585      2.344131
  C      -4.052857     -4.697598      3.488049
  C      -3.924296     -4.063790      4.724330
  Br     -3.675915     -5.107556      6.296265
  C      -3.980278     -2.676697      4.835805
  C      -5.313170      4.611914      5.003954
  N      -5.720447      5.840285      5.092032
  C      -7.033909      6.057735      4.620019
  O      -7.556899      5.386993      3.732729
  C      -7.740483      7.196968      5.273450
  C      -8.944625      7.658002      4.724066
  C      -9.633908      8.700109      5.338043
  C      -9.147991      9.278242      6.514298
  C      -7.958556      8.794205      7.059315
  Br     -7.304763      9.543207      8.691855
  C      -7.239547      7.773733      6.449023
  C      -5.868918      1.806491      6.405351
  N      -6.846261      2.413798      7.017222
  C      -8.065250      2.452845      6.309368
  O      -8.388974      1.637540      5.446718
  C      -8.918712      3.618806      6.679628
  C      -8.685833      4.364918      7.844280
  C      -9.509101      5.446280      8.153474
  C     -10.556430      5.802474      7.303439
  C     -10.762450      5.064252      6.136208
  Br    -12.168108      5.576814      4.952948
  C      -9.962882      3.976435      5.812322
  H      -1.787910     -1.040252      5.160976
  H      -4.509589     -1.923718      1.546221
  H      -4.368416     -4.413668      1.377275
  H      -4.003581     -5.783939      3.420431
  H      -3.921339     -2.207169      5.817346
  H      -5.989658      3.807370      4.675371
  H      -9.327999      7.183871      3.821193
  H     -10.567687      9.064300      4.908172
  H      -9.684805     10.094009      6.998251
  H      -6.305795      7.412669      6.875272
  H      -6.052132      1.332738      5.415196
  H      -7.868111      4.079194      8.503365
  H      -9.337007      6.027378      9.060410
  H     -11.202089      6.647642      7.537494
  H     -10.108660      3.412865      4.892026
  N      -2.319681      2.653265      3.844499
  H      -1.744970      2.625686      2.993854
73
Coordinates from ORCA-job orca E -13783.440958979752
  N      -1.902675      0.948474      5.957627
  Mo     -3.331956      2.314272      5.242728
  N      -4.608790      1.838838      6.843900
  C      -4.316616      2.545008      8.088437
  C      -2.812687      2.669807      8.201081
  N      -2.213849      3.246267      6.938323
  C      -0.773829      2.841450      6.822331
  C      -0.679214      1.316905      6.624777
  C      -2.386873      4.754566      6.907148
  C      -2.971111      5.195077      5.577819
  N      -4.015182      4.231205      5.246766
  H       0.208879      1.075148      6.021279
  H      -0.594003      0.784677      7.584646
  H      -0.365020      3.373710      5.955138
  H      -0.237762      3.168376      7.725685
  H      -3.411796      6.199867      5.651570
  H      -2.209637      5.193378      4.780445
  H      -3.087988      5.006777      7.711962
  H      -1.419639      5.226062      7.128081
  H      -4.703936      1.998365      8.962623
  H      -4.827687      3.524179      8.078579
  H      -2.376459      1.676797      8.352773
  H      -2.505706      3.312481      9.039367
  C      -2.311889     -0.102012      5.280166
  N      -3.472442      0.223486      4.696306
  C      -4.273329     -0.429254      3.763932
  O      -5.020877      0.262524      3.077885
  C      -4.174963     -1.907869      3.667622
  C      -4.331333     -2.498927      2.404652
  C      -4.265036     -3.883780      2.280552
  C      -4.063543     -4.690622      3.403847
  C      -3.931828     -4.090565      4.656650
  Br     -3.689439     -5.176632      6.200281
  C      -3.980617     -2.706614      4.804843
  C      -5.290059      4.604158      4.992758
  N      -5.704881      5.831949      5.069326
  C      -7.031440      6.026780      4.622591
  O      -7.570141      5.332106      3.763254
  C      -7.731856      7.176348      5.265501
  C      -8.955365      7.610260      4.736975
  C      -9.642483      8.657100      5.345165
  C      -9.134676      9.267764      6.495549
  C      -7.924384      8.812432      7.018764
  Br     -7.235233      9.611781      8.612756
  C      -7.207835      7.787016      6.413515
  C      -5.892160      1.817032      6.423265
  N      -6.863190      2.419913      7.044058
  C      -8.099258      2.435352      6.357334
  O      -8.439180      1.589192      5.533220
  C      -8.945926      3.609388      6.712587
  C      -8.693909      4.383524      7.854711
  C      -9.511131      5.473332      8.150296
  C     -10.570672      5.810666      7.307923
  C     -10.795918      5.044168      6.162508
  Br    -12.217182      5.533738      4.987475
  C     -10.003578      3.947004      5.853399
  H      -1.777087     -1.060373      5.236958
  H      -4.503976     -1.864378      1.535801
  H      -4.376809     -4.350113      1.301312
  H      -4.019918     -5.775017      3.307533
  H      -3.919581     -2.264829      5.799086
  H      -5.964270      3.788757      4.685063
  H      -9.356394      7.110734      3.855782
  H     -10.591961      8.999868      4.932393
  H      -9.670506     10.086119      6.976010
  H      -6.258031      7.448913      6.822752
  H      -6.067821      1.324979      5.443356
  H      -7.865861      4.114174      8.507593
  H      -9.324984      6.076447      9.039845
  H     -11.209771      6.664188      7.529414
  H     -10.165406      3.362006      4.949255
  N      -2.279753      2.622957      3.871770
  H      -1.701757      2.670664      3.024523
73
Coordinates from ORCA-job orca E -13783.442496604637
  N      -1.899819      0.931172      6.015226
  Mo     -3.306474      2.299643      5.255159
  N      -4.614609      1.882477      6.843300
  C      -4.323480      2.604481      8.079702
  C      -2.819723      2.711991      8.207738
  N      -2.200469      3.255754      6.939096
  C      -0.762847      2.834377      6.849179
  C      -0.680574      1.305252      6.687534
  C      -2.356219      4.767970      6.880765
  C      -2.929246      5.190644      5.540757
  N      -3.977849      4.229389      5.222591
  H       0.211678      1.042413      6.099034
  H      -0.610117      0.795104      7.660410
  H      -0.337606      3.344719      5.976718
  H      -0.235110      3.175739      7.752262
  H      -3.361817      6.200537      5.592757
  H      -2.162983      5.166610      4.748401
  H      -3.059509      5.040575      7.677094
  H      -1.384367      5.229294      7.102297
  H      -4.723989      2.074280      8.958417
  H      -4.822833      3.589257      8.056798
  H      -2.395919      1.717907      8.384971
  H      -2.514806      3.368124      9.036280
  C      -2.304794     -0.124526      5.342814
  N      -3.456383      0.205447      4.744423
  C      -4.254117     -0.415179      3.791152
  O      -4.983198      0.312047      3.118330
  C      -4.180301     -1.889945      3.654686
  C      -4.349313     -2.445341      2.376649
  C      -4.301405     -3.827197      2.215801
  C      -4.105618     -4.665688      3.317195
  C      -3.960584     -4.100620      4.584907
  Br     -3.725126     -5.229759      6.098157
  C      -3.991116     -2.720390      4.769623
  C      -5.256222      4.590104      4.983095
  N      -5.684118      5.815288      5.047622
  C      -7.020722      5.985632      4.620324
  O      -7.570284      5.262932      3.790909
  C      -7.722817      7.141646      5.250546
  C      -8.964495      7.543850      4.739217
  C      -9.655093      8.594616      5.336728
  C      -9.132338      9.241128      6.460794
  C      -7.902898      8.818449      6.966817
  Br     -7.189723      9.670194      8.522703
  C      -7.183005      7.789297      6.371061
  C      -5.909825      1.830458      6.447961
  N      -6.874185      2.430505      7.075866
  C      -8.126984      2.418122      6.413442
  O      -8.478096      1.548066      5.621228
  C      -8.971151      3.598465      6.751758
  C      -8.707494      4.398156      7.873725
  C      -9.523659      5.492631      8.155645
  C     -10.593124      5.810420      7.318130
  C     -10.829554      5.018436      6.191670
  Br    -12.261226      5.484494      5.019540
  C     -10.039563      3.915329      5.897923
  H      -1.766410     -1.081490      5.314176
  H      -4.516722     -1.785781      1.525422
  H      -4.422920     -4.266695      1.225266
  H      -4.076152     -5.747767      3.192374
  H      -3.919914     -2.306465      5.775215
  H      -5.926532      3.764325      4.691764
  H      -9.377162      7.016679      3.879615
  H     -10.619038      8.912437      4.937371
  H      -9.671329     10.061623      6.934157
  H      -6.218404      7.477592      6.766632
  H      -6.078228      1.318842      5.478449
  H      -7.871143      4.145398      8.522816
  H      -9.328772      6.115083      9.029976
  H     -11.230068      6.668819      7.527231
  H     -10.211161      3.310976      5.008358
  N      -2.221070      2.597697      3.906724
  H      -1.640928      2.721470      3.068722
73
Coordinates from ORCA-job orca E -13783.444000198948
  N      -1.893723      0.915055      6.073783
  Mo     -3.274583      2.285954      5.267374
  N      -4.616977      1.923654      6.841704
  C      -4.326980      2.665909      8.068742
  C      -2.823390      2.756607      8.212641
  N      -2.183493      3.265758      6.938280
  C      -0.748602      2.828565      6.877779
  C      -0.679872      1.294882      6.753291
  C      -2.323117      4.780937      6.850849
  C      -2.886950      5.184826      5.499832
  N      -3.936654      4.222278      5.195326
  H       0.217283      1.009701      6.182698
  H      -0.625970      0.807728      7.738848
  H      -0.304925      3.313648      6.000082
  H      -0.228816      3.184221      7.780017
  H      -3.310833      6.199203      5.532996
  H      -2.117778      5.140277      4.711151
  H      -3.029700      5.073706      7.637122
  H      -1.348286      5.236423      7.070946
  H      -4.742334      2.154270      8.951725
  H      -4.814583      3.655932      8.029789
  H      -2.413935      1.761603      8.415995
  H      -2.521610      3.426322      9.031399
  C      -2.295370     -0.145042      5.405475
  N      -3.437801      0.192311      4.792292
  C      -4.232045     -0.393335      3.818342
  O      -4.939371      0.371119      3.159266
  C      -4.188072     -1.862904      3.640291
  C      -4.373385     -2.383696      2.349736
  C      -4.349738     -3.761888      2.155008
  C      -4.162063     -4.630322      3.234990
  C      -4.000035     -4.099123      4.515432
  Br     -3.775008     -5.268880      5.999010
  C      -4.006300     -2.723345      4.733968
  C      -5.220325      4.568404      4.973631
  N      -5.663913      5.789310      5.030103
  C      -7.010823      5.935150      4.627023
  O      -7.569501      5.187903      3.825198
  C      -7.714075      7.097953      5.243580
  C      -8.971211      7.471448      4.748126
  C      -9.664201      8.527873      5.333078
  C      -9.128089      9.208633      6.430582
  C      -7.882630      8.815248      6.921531
  Br     -7.149866      9.714718      8.440865
  C      -7.160263      7.781078      6.336546
  C      -5.923005      1.843403      6.471285
  N      -6.881062      2.444076      7.103817
  C      -8.148350      2.401653      6.467986
  O      -8.513845      1.501838      5.717823
  C      -8.993520      3.587505      6.785642
  C      -8.717508      4.419419      7.881357
  C      -9.535188      5.517343      8.146107
  C     -10.618589      5.807405      7.316094
  C     -10.866858      4.983299      6.214490
  Br    -12.314501      5.413178      5.048491
  C     -10.076035      3.875751      5.939571
  H      -1.756214     -1.101920      5.391947
  H      -4.533599     -1.700251      1.515862
  H      -4.483841     -4.175165      1.154651
  H      -4.151585     -5.709581      3.083784
  H      -3.922638     -2.335436      5.749047
  H      -5.889159      3.734240      4.700342
  H      -9.393821      6.917685      3.910094
  H     -10.640324      8.822919      4.945421
  H      -9.669314     10.032735      6.895460
  H      -6.183246      7.492900      6.719730
  H      -6.090588      1.311602      5.513801
  H      -7.869693      4.189163      8.524361
  H      -9.330257      6.164023      9.000575
  H     -11.256296      6.668849      7.510752
  H     -10.257200      3.246768      5.069085
  N      -2.154453      2.575285      3.945429
  H      -1.572571      2.768756      3.121751
73
Coordinates from ORCA-job orca E -13783.444448682078
  N      -1.883940      0.897802      6.118980
  Mo     -3.236213      2.285377      5.263107
  N      -4.635661      1.971276      6.811229
  C      -4.348010      2.697758      8.046726
  C      -2.842756      2.766897      8.214688
  N      -2.169664      3.263562      6.947670
  C      -0.734684      2.808746      6.918165
  C      -0.675970      1.271006      6.812474
  C      -2.296298      4.780364      6.848876
  C      -2.848029      5.181561      5.493353
  N      -3.898281      4.221015      5.184951
  H       0.230072      0.967751      6.258187
  H      -0.643951      0.793936      7.807999
  H      -0.269596      3.281495      6.041735
  H      -0.231396      3.168443      7.829007
  H      -3.271403      6.196972      5.521344
  H      -2.072631      5.133217      4.710964
  H      -3.005041      5.083928      7.630118
  H      -1.318158      5.227880      7.072000
  H      -4.783262      2.186200      8.921039
  H      -4.820468      3.695886      8.007361
  H      -2.448518      1.765895      8.429982
  H      -2.546491      3.436712      9.035015
  C      -2.285236     -0.163032      5.453056
  N      -3.412195      0.187715      4.812651
  C      -4.196113     -0.371294      3.805994
  O      -4.876627      0.423506      3.139296
  C      -4.180775     -1.843449      3.610230
  C      -4.362080     -2.345653      2.310131
  C      -4.357835     -3.725230      2.098458
  C      -4.193182     -4.612678      3.169861
  C      -4.035275     -4.099528      4.459628
  Br     -3.841313     -5.294682      5.931436
  C      -4.023233     -2.723318      4.695532
  C      -5.182927      4.568394      4.967840
  N      -5.627314      5.789094      5.011270
  C      -6.960931      5.931495      4.574433
  O      -7.476538      5.193855      3.751422
  C      -7.705892      7.071823      5.181855
  C      -8.959418      7.427408      4.663327
  C      -9.698609      8.453965      5.239931
  C      -9.212741      9.122426      6.351745
  C      -7.968288      8.749675      6.864880
  Br     -7.301004      9.637597      8.403491
  C      -7.201021      7.744470      6.288596
  C      -5.943079      1.878166      6.456272
  N      -6.895351      2.451735      7.132031
  C      -8.191432      2.400366      6.540256
  O      -8.601854      1.479410      5.823716
  C      -9.006844      3.603777      6.863687
  C      -8.668828      4.466115      7.933230
  C      -9.456154      5.583571      8.204230
  C     -10.569950      5.863689      7.405284
  C     -10.883281      5.005599      6.330518
  Br    -12.376435      5.417754      5.206284
  C     -10.125711      3.875747      6.051489
  H      -1.754369     -1.128062      5.457954
  H      -4.502653     -1.647565      1.482341
  H      -4.488548     -4.124616      1.090990
  H      -4.197224     -5.692769      3.004944
  H      -3.943134     -2.349593      5.717151
  H      -5.850565      3.732087      4.700300
  H      -9.344360      6.880893      3.815865
  H     -10.673068      8.733515      4.835020
  H      -9.792594      9.920238      6.811101
  H      -6.226171      7.470583      6.689360
  H      -6.119522      1.370168      5.489658
  H      -7.796724      4.245069      8.551426
  H      -9.202879      6.254471      9.038645
  H     -11.181687      6.743279      7.603347
  H     -10.364455      3.213784      5.203770
  N      -2.098949      2.567135      3.948832
  H      -1.508453      2.756732      3.123463
73
Coordinates from ORCA-job orca E -13783.444904293749
  N      -1.876379      0.877781      6.150434
  Mo     -3.193625      2.282235      5.246939
  N      -4.666709      2.002438      6.750779
  C      -4.383692      2.714951      7.997307
  C      -2.877825      2.757898      8.203029
  N      -2.162406      3.249586      6.953119
  C      -0.728338      2.780376      6.961567
  C      -0.679469      1.242811      6.866980
  C      -2.275299      4.766661      6.855387
  C      -2.804609      5.173604      5.495219
  N      -3.852244      4.216564      5.173913
  H       0.238082      0.924622      6.336213
  H      -0.675114      0.773054      7.867869
  H      -0.237299      3.244860      6.094697
  H      -0.245393      3.137854      7.883920
  H      -3.223872      6.190482      5.521297
  H      -2.019267      5.123033      4.723564
  H      -2.995511      5.072562      7.624629
  H      -1.297766      5.205559      7.096138
  H      -4.847990      2.205350      8.858707
  H      -4.835927      3.723357      7.957067
  H      -2.502180      1.750665      8.425359
  H      -2.593150      3.420752      9.031372
  C      -2.277974     -0.180714      5.484373
  N      -3.386287      0.186358      4.815124
  C      -4.160091     -0.346304      3.784480
  O      -4.813158      0.471103      3.112482
  C      -4.169597     -1.814631      3.581027
  C      -4.346091     -2.312288      2.283802
  C      -4.355619     -3.687944      2.074252
  C      -4.209596     -4.574646      3.143427
  C      -4.056846     -4.065480      4.429816
  Br     -3.887443     -5.258507      5.898289
  C      -4.031630     -2.694305      4.664025
  C      -5.136676      4.563213      4.954284
  N      -5.588140      5.781527      4.987999
  C      -6.921458      5.899968      4.537057
  O      -7.417511      5.131218      3.724495
  C      -7.704054      7.023466      5.128809
  C      -8.990788      7.305398      4.612870
  C      -9.768042      8.311634      5.174738
  C      -9.283072      9.038527      6.266816
  C      -8.004230      8.740311      6.777397
  Br     -7.337416      9.710578      8.288250
  C      -7.202645      7.751622      6.217545
  C      -5.973014      1.913297      6.408431
  N      -6.908031      2.471518      7.132683
  C      -8.211848      2.449123      6.569325
  O      -8.626552      1.576779      5.848632
  C      -9.015332      3.640386      6.925107
  C      -8.666864      4.447086      8.001313
  C      -9.432551      5.563221      8.304934
  C     -10.532409      5.899856      7.530826
  C     -10.861001      5.092648      6.450926
  Br    -12.338524      5.579103      5.360491
  C     -10.130521      3.959786      6.141374
  H      -1.756992     -1.152431      5.506406
  H      -4.470024     -1.614763      1.457170
  H      -4.481486     -4.085020      1.069349
  H      -4.223406     -5.651225      2.979523
  H      -3.954854     -2.322650      5.682495
  H      -5.798362      3.726989      4.680063
  H      -9.374284      6.712378      3.781374
  H     -10.769407      8.532120      4.773213
  H      -9.892382      9.821395      6.714162
  H      -6.201809      7.534743      6.615781
  H      -6.163559      1.426476      5.429795
  H      -7.801961      4.186688      8.599036
  H      -9.170009      6.191161      9.144245
  H     -11.119994      6.786871      7.751346
  H     -10.386824      3.333920      5.291892
  N      -2.058459      2.573082      3.939421
  H      -1.468367      2.767822      3.115020
73
Coordinates from ORCA-job orca E -13783.441982792996
  N      -1.897239      0.888889      6.123159
  Mo     -3.245132      2.258479      5.243377
  N      -4.687947      1.970220      6.759166
  C      -4.386254      2.702154      7.992839
  C      -2.880949      2.762879      8.175980
  N      -2.194160      3.254322      6.919538
  C      -0.760886      2.815039      6.906292
  C      -0.694525      1.282951      6.813042
  C      -2.322022      4.766372      6.822738
  C      -2.887839      5.157879      5.471664
  N      -3.931647      4.181156      5.183852
  H       0.208580      0.980918      6.269436
  H      -0.659903      0.821008      7.808129
  H      -0.296755      3.282410      6.033915
  H      -0.263163      3.183948      7.815493
  H      -3.315530      6.169282      5.505785
  H      -2.123858      5.115208      4.680183
  H      -3.029635      5.065927      7.604188
  H      -1.346859      5.221348      7.041003
  H      -4.828350      2.195128      8.863871
  H      -4.850141      3.703291      7.956683
  H      -2.494599      1.764088      8.396127
  H      -2.592365      3.433400      8.998404
  C      -2.292543     -0.179388      5.474006
  N      -3.417055      0.161200      4.829965
  C      -4.185535     -0.386904      3.832090
  O      -4.860810      0.397025      3.180412
  C      -4.144229     -1.838873      3.616888
  C      -4.323641     -2.333632      2.320568
  C      -4.281818     -3.698093      2.101290
  C      -4.081827     -4.576857      3.160368
  C      -3.927058     -4.071394      4.447563
  Br     -3.684144     -5.256909      5.902829
  C      -3.952454     -2.710735      4.691193
  C      -5.224759      4.524198      5.007002
  N      -5.650042      5.749186      5.044833
  C      -7.016368      5.885434      4.682436
  O      -7.623256      5.078775      3.941808
  C      -7.668283      7.100419      5.264282
  C      -8.949647      7.430780      4.806516
  C      -9.588169      8.548155      5.355814
  C      -8.966531      9.338719      6.379498
  C      -7.699557      8.984227      6.837404
  Br     -6.858233     10.023729      8.258325
  C      -7.033786      7.888138      6.287236
  C      -6.012947      1.846725      6.447082
  N      -6.951971      2.395103      7.158536
  C      -8.253205      2.306215      6.595239
  O      -8.650439      1.343881      5.912515
  C      -9.093623      3.507935      6.869213
  C      -8.782555      4.400671      7.907794
  C      -9.582475      5.525554      8.128355
  C     -10.679570      5.785127      7.306269
  C     -10.970000      4.893814      6.265545
  Br    -12.439684      5.275155      5.107840
  C     -10.206384      3.750269      6.041826
  H      -1.758938     -1.136054      5.487272
  H      -4.488694     -1.641145      1.502036
  H      -4.409225     -4.092574      1.095786
  H      -4.055208     -5.645000      2.989077
  H      -3.872677     -2.341299      5.710267
  H      -5.911774      3.692772      4.768290
  H      -9.436515      6.793332      4.025570
  H     -10.581055      8.812813      4.997218
  H      -9.468682     10.209642      6.815499
  H      -6.040128      7.629980      6.640487
  H      -6.208734      1.337302      5.494555
  H      -7.920174      4.199221      8.543088
  H      -9.348487      6.218430      8.939368
  H     -11.291323      6.679302      7.459151
  H     -10.433018      3.062733      5.225820
  N      -2.181545      2.566648      3.906153
  H      -1.633220      2.767471      3.074159
73
Coordinates from ORCA-job orca E -13783.444984405354
  N      -1.865489      0.909468      6.148431
  Mo     -3.206532      2.267380      5.248121
  N      -4.654969      2.012439      6.768485
  C      -4.341127      2.767761      7.986712
  C      -2.837574      2.825485      8.164789
  N      -2.152484      3.294440      6.900764
  C      -0.722021      2.854998      6.891394
  C      -0.660292      1.317588      6.826517
  C      -2.278376      4.808331      6.781546
  C      -2.856130      5.176260      5.424650
  N      -3.899653      4.190251      5.160076
  H       0.237795      1.003643      6.284728
  H      -0.621420      0.874888      7.829854
  H      -0.259623      3.304583      6.007513
  H      -0.219468      3.240851      7.791696
  H      -3.282730      6.189550      5.442560
  H      -2.097989      5.118828      4.627086
  H      -2.980358      5.122299      7.563110
  H      -1.301913      5.268337      6.983619
  H      -4.781584      2.278250      8.867648
  H      -4.800383      3.769257      7.938542
  H      -2.456164      1.829542      8.401452
  H      -2.546583      3.509977      8.977004
  C      -2.268486     -0.171629      5.522309
  N      -3.392101      0.164002      4.878540
  C      -4.171671     -0.378024      3.893875
  O      -4.836412      0.424577      3.249624
  C      -4.174594     -1.834885      3.666627
  C      -4.396699     -2.308613      2.359104
  C      -4.411257     -3.682337      2.113967
  C      -4.224829     -4.592797      3.161280
  C      -4.025323     -4.108317      4.462322
  Br     -3.802155     -5.338256      5.900824
  C      -3.994148     -2.737028      4.731029
  C      -5.193765      4.526943      4.984825
  N      -5.627417      5.748074      5.034400
  C      -6.968755      5.917021      4.634050
  O      -7.522885      5.192413      3.822299
  C      -7.653562      7.079195      5.262400
  C      -8.887046      7.473087      4.788929
  C      -9.558496      8.535960      5.384159
  C      -9.022411      9.200181      6.471736
  C      -7.803204      8.783929      6.942981
  Br     -7.071379      9.659574      8.449060
  C      -7.100718      7.746161      6.346768
  C      -5.985791      1.875845      6.469538
  N      -6.919599      2.429075      7.157374
  C      -8.203575      2.332161      6.580121
  O      -8.571439      1.368284      5.893357
  C      -9.071234      3.519962      6.838186
  C      -8.798139      4.412699      7.878717
  C      -9.628561      5.519184      8.082700
  C     -10.720826      5.758858      7.242412
  C     -10.970293      4.870185      6.200660
  Br    -12.430156      5.223724      5.019349
  C     -10.172922      3.748216      5.993841
  H      -1.740704     -1.130797      5.551068
  H      -4.553763     -1.591457      1.550729
  H      -4.574479     -4.058840      1.098018
  H      -4.243848     -5.669212      2.970465
  H      -3.884472     -2.384107      5.760941
  H      -5.878501      3.696965      4.741164
  H      -9.308785      6.933198      3.958561
  H     -10.513950      8.850116      5.011786
  H      -9.551437     10.025698      6.945460
  H      -6.143411      7.440735      6.713052
  H      -6.182954      1.353394      5.531000
  H      -7.942051      4.223833      8.528435
  H      -9.424724      6.210494      8.895414
  H     -11.358871      6.633534      7.382026
  H     -10.366887      3.065264      5.179629
  N      -2.141654      2.551063      3.901402
  H      -1.597769      2.735807      3.068385
73
Coordinates from ORCA-job orca E -13783.445053940841
  N      -1.851366      0.891840      6.210213
  Mo     -3.143527      2.284120      5.265640
  N      -4.654830      2.040777      6.738730
  C      -4.373557      2.770292      7.976509
  C      -2.872228      2.801311      8.206425
  N      -2.128655      3.273622      6.969244
  C      -0.699029      2.799591      7.009485
  C      -0.659883      1.260171      6.936153
  C      -2.229360      4.791113      6.852238
  C      -2.756033      5.181286      5.481677
  N      -3.804281      4.218901      5.174806
  H       0.261081      0.926786      6.422046
  H      -0.669721      0.804965      7.942367
  H      -0.191114      3.247041      6.142635
  H      -0.226631      3.167858      7.932048
  H      -3.171592      6.200490      5.491609
  H      -1.970090      5.116954      4.710788
  H      -2.951250      5.113693      7.613268
  H      -1.251449      5.231668      7.087815
  H      -4.853006      2.273171      8.836005
  H      -4.814387      3.781902      7.925308
  H      -2.513831      1.792456      8.444934
  H      -2.598998      3.469512      9.034788
  C      -2.252675     -0.179490      5.558479
  N      -3.351564      0.184651      4.873052
  C      -4.128280     -0.320861      3.829040
  O      -4.753445      0.552048      3.167855
  C      -4.185758     -1.794903      3.574085
  C      -4.382634     -2.248296      2.251539
  C      -4.440762     -3.630890      1.992647
  C      -4.323558     -4.569121      3.039307
  C      -4.150528     -4.104262      4.352701
  Br     -4.021167     -5.364287      5.790165
  C      -4.076724     -2.727075      4.635404
  C      -5.087680      4.570687      4.961527
  N      -5.548160      5.790225      4.988750
  C      -6.884351      5.891067      4.534478
  O      -7.370845      5.115030      3.723150
  C      -7.687620      7.006187      5.109361
  C      -8.978966      7.264827      4.581698
  C      -9.777214      8.262194      5.125891
  C      -9.315268      8.998910      6.210741
  C      -8.032383      8.724547      6.732032
  Br     -7.395807      9.714778      8.239237
  C      -7.206683      7.747835      6.189539
  C      -5.964104      1.925574      6.420213
  N      -6.892168      2.467051      7.155024
  C      -8.213529      2.401089      6.639779
  O      -8.646666      1.479732      5.966496
  C      -9.018777      3.602996      6.977647
  C      -8.629767      4.489886      8.010596
  C      -9.399299      5.614999      8.285640
  C     -10.546989      5.879186      7.525810
  C     -10.913562      4.993947      6.492677
  Br    -12.453408      5.382164      5.423125
  C     -10.175037      3.856082      6.215323
  H      -1.738244     -1.153272      5.598904
  H      -4.484432     -1.512146      1.443267
  H      -4.583095     -3.991933      0.967754
  H      -4.375698     -5.650263      2.837290
  H      -3.988466     -2.390168      5.673377
  H      -5.752181      3.736623      4.696362
  H      -9.342463      6.663288      3.755934
  H     -10.781828      8.463594      4.714054
  H      -9.940325      9.773860      6.647855
  H      -6.201172      7.550815      6.597924
  H      -6.176668      1.422713      5.459443
  H      -7.730609      4.281265      8.594084
  H      -9.104444      6.306072      9.091052
  H     -11.141046      6.766888      7.719939
  H     -10.461947      3.169381      5.406594
  N      -2.013875      2.567244      3.939242
  H      -1.427566      2.757533      3.100385
73
Coordinates from ORCA-job orca E -13783.443812247697
  N      -1.873831      0.882435      6.151680
  Mo     -3.160105      2.272274      5.208480
  N      -4.692284      2.010759      6.654542
  C      -4.419310      2.743917      7.895637
  C      -2.920444      2.770377      8.145710
  N      -2.163121      3.251629      6.920604
  C      -0.733526      2.783926      6.973860
  C      -0.690603      1.250629      6.890580
  C      -2.261549      4.767110      6.818968
  C      -2.783168      5.166329      5.451328
  N      -3.828079      4.205068      5.136658
  H       0.235045      0.923907      6.384657
  H      -0.706695      0.790355      7.891580
  H      -0.217904      3.236883      6.117890
  H      -0.268337      3.145258      7.901720
  H      -3.196120      6.184649      5.469222
  H      -1.996117      5.107820      4.682553
  H      -2.989808      5.081441      7.575988
  H      -1.285953      5.205284      7.066515
  H      -4.907837      2.245831      8.750221
  H      -4.859418      3.756438      7.845070
  H      -2.567275      1.759868      8.381707
  H      -2.659055      3.430597      8.982549
  C      -2.271963     -0.183742      5.492971
  N      -3.367934      0.182018      4.806237
  C      -4.131927     -0.330835      3.771152
  O      -4.758325      0.506254      3.100210
  C      -4.161894     -1.783440      3.573888
  C      -4.342397     -2.308269      2.311511
  C      -4.353496     -3.666393      2.149060
  C      -4.206933     -4.505404      3.228405
  C      -4.053320     -3.968255      4.477412
  Br     -3.884184     -5.092432      5.960362
  C      -4.026167     -2.617744      4.664673
  C      -5.111305      4.557765      4.936959
  N      -5.559782      5.773788      4.996963
  C      -6.911747      5.894657      4.596240
  O      -7.447936      5.128719      3.798353
  C      -7.655862      7.036559      5.199153
  C      -8.940331      7.342554      4.704025
  C      -9.677363      8.379060      5.267401
  C      -9.161555      9.109283      6.342958
  C      -7.888111      8.783128      6.835519
  Br     -7.189432      9.744359      8.328506
  C      -7.122098      7.768707      6.270754
  C      -6.004912      1.886933      6.342970
  N      -6.942066      2.426879      7.082114
  C      -8.265711      2.350048      6.572210
  O      -8.697550      1.424153      5.901536
  C      -9.079595      3.548671      6.912586
  C      -8.714141      4.413835      7.956134
  C      -9.485618      5.537294      8.236507
  C     -10.608240      5.826492      7.470138
  C     -10.952040      4.963572      6.424886
  Br    -12.458759      5.386891      5.344077
  C     -10.215848      3.822094      6.143478
  H      -1.757252     -1.155093      5.528603
  H      -4.463430     -1.647824      1.476853
  H      -4.479855     -4.087246      1.173699
  H      -4.220857     -5.565978      3.100917
  H      -3.947732     -2.221172      5.654189
  H      -5.785602      3.733603      4.669642
  H      -9.343245      6.749168      3.883615
  H     -10.673512      8.621916      4.879445
  H      -9.740172      9.914201      6.794552
  H      -6.124587      7.532281      6.653478
  H      -6.203574      1.370071      5.380426
  H      -7.832526      4.187286      8.545125
  H      -9.210272      6.206765      9.051817
  H     -11.202515      6.716098      7.668554
  H     -10.486304      3.151653      5.324115
  N      -2.041390      2.578920      3.886577
  H      -1.466306      2.782885      3.052524
73
Coordinates from ORCA-job orca E -13783.446495119068
  N      -1.862305      0.911364      6.184403
  Mo     -3.183942      2.257575      5.244811
  N      -4.682565      2.022565      6.723833
  C      -4.383344      2.793442      7.938300
  C      -2.882446      2.843975      8.152262
  N      -2.160316      3.302322      6.903193
  C      -0.730234      2.859897      6.930729
  C      -0.668741      1.321255      6.882349
  C      -2.281304      4.815342      6.767110
  C      -2.850829      5.169932      5.401496
  N      -3.889705      4.176386      5.144491
  H       0.239674      0.997011      6.361807
  H      -0.651329      0.887361      7.892200
  H      -0.246879      3.297700      6.051374
  H      -0.245866      3.254724      7.838360
  H      -3.278774      6.182826      5.408115
  H      -2.088768      5.105928      4.608626
  H      -2.989346      5.139856      7.539388
  H      -1.306161      5.277143      6.970444
  H      -4.846133      2.314108      8.813929
  H      -4.834267      3.797512      7.873584
  H      -2.514616      1.845937      8.406678
  H      -2.611261      3.532301      8.968327
  C      -2.257373     -0.177039      5.565912
  N      -3.370581      0.154312      4.904208
  C      -4.137723     -0.371397      3.906874
  O      -4.779410      0.438829      3.260918
  C      -4.150506     -1.818793      3.660075
  C      -4.371839     -2.272254      2.343143
  C      -4.394500     -3.641718      2.079950
  C      -4.218167     -4.567381      3.117361
  C      -4.019689     -4.102361      4.428847
  Br     -3.812066     -5.358051      5.854650
  C      -3.979826     -2.735092      4.715845
  C      -5.186696      4.511396      4.976851
  N      -5.617112      5.735692      5.018149
  C      -6.976841      5.883141      4.653798
  O      -7.567771      5.110263      3.882603
  C      -7.637006      7.074472      5.264288
  C      -8.909179      7.420666      4.822170
  C      -9.559501      8.510662      5.401713
  C      -8.959932      9.254824      6.444325
  C      -7.700535      8.886610      6.885387
  Br     -6.889937      9.858855      8.328080
  C      -7.021973      7.819828      6.303445
  C      -6.014018      1.860502      6.435965
  N      -6.951223      2.398699      7.143240
  C      -8.246396      2.282538      6.597515
  O      -8.627249      1.304683      5.938328
  C      -9.107189      3.475056      6.860260
  C      -8.811617      4.370227      7.882755
  C      -9.625997      5.484664      8.093731
  C     -10.721500      5.733478      7.275316
  C     -10.994974      4.843111      6.250322
  Br    -12.462703      5.210026      5.096897
  C     -10.217276      3.707434      6.038676
  H      -1.731891     -1.137199      5.611017
  H      -4.520746     -1.541864      1.541854
  H      -4.557075     -4.003386      1.055900
  H      -4.244281     -5.641449      2.911851
  H      -3.872184     -2.395320      5.753223
  H      -5.878943      3.676514      4.751863
  H      -9.378150      6.819041      4.027302
  H     -10.546225      8.786636      5.055303
  H      -9.472580     10.101947      6.905835
  H      -6.035182      7.550150      6.643415
  H      -6.218924      1.327918      5.501920
  H      -7.950498      4.176196      8.514927
  H      -9.404821      6.174568      8.894289
  H     -11.347499      6.616659      7.420493
  H     -10.434075      3.016471      5.237752
  N      -2.131921      2.537382      3.897851
  H      -1.600414      2.720908      3.058995
73
Coordinates from ORCA-job orca E -13783.449295067936
  N      -1.825474      0.918464      6.220721
  Mo     -3.110885      2.282638      5.238691
  N      -4.656986      2.064242      6.682110
  C      -4.377280      2.826711      7.904908
  C      -2.880992      2.856591      8.157981
  N      -2.118533      3.310255      6.928282
  C      -0.690671      2.847183      6.996180
  C      -0.643436      1.308763      6.949851
  C      -2.223265      4.824342      6.789055
  C      -2.763599      5.186860      5.414961
  N      -3.804258      4.206463      5.133510
  H       0.279054      0.972220      6.452299
  H      -0.658638      0.873318      7.960856
  H      -0.175734      3.279159      6.129637
  H      -0.228963      3.233800      7.917012
  H      -3.185892      6.202491      5.412827
  H      -1.984031      5.115824      4.639467
  H      -2.941600      5.156883      7.548034
  H      -1.246226      5.273747      7.010033
  H      -4.869481      2.351431      8.768154
  H      -4.810468      3.838830      7.829521
  H      -2.530752      1.852805      8.418552
  H      -2.622441      3.537529      8.981697
  C      -2.221838     -0.168224      5.595441
  N      -3.314641      0.181617      4.900912
  C      -4.085578     -0.316225      3.870653
  O      -4.692293      0.552203      3.218084
  C      -4.194230     -1.776363      3.633988
  C      -4.439886     -2.230076      2.322952
  C      -4.531476     -3.605989      2.069273
  C      -4.399298     -4.537716      3.110485
  C      -4.179213     -4.072253      4.416212
  Br     -4.024289     -5.323223      5.844681
  C      -4.072499     -2.699841      4.693338
  C      -5.096891      4.547176      4.953689
  N      -5.546956      5.763942      5.004492
  C      -6.889999      5.904356      4.592246
  O      -7.417425      5.165545      3.777602
  C      -7.627124      7.038362      5.210481
  C      -8.908734      7.352217      4.744736
  C      -9.636268      8.378851      5.331593
  C      -9.107583      9.088559      6.401461
  C      -7.835907      8.758206      6.861939
  Br     -7.104998      9.711393      8.341177
  C      -7.081405      7.752037      6.275765
  C      -5.974373      1.912167      6.384973
  N      -6.905141      2.439963      7.107228
  C      -8.214731      2.318641      6.591687
  O      -8.606640      1.357925      5.937786
  C      -9.077155      3.491090      6.886599
  C      -8.724020      4.429794      7.885122
  C      -9.543898      5.531171      8.115089
  C     -10.709484      5.716606      7.342452
  C     -11.042041      4.778599      6.344705
  Br    -12.602888      5.059311      5.255436
  C     -10.251222      3.664297      6.113568
  H      -1.708536     -1.138131      5.655674
  H      -4.548294     -1.497547      1.518379
  H      -4.709135     -3.966825      1.050896
  H      -4.473949     -5.614179      2.911748
  H      -3.944795     -2.359391      5.724295
  H      -5.774519      3.716877      4.704885
  H      -9.324073      6.774450      3.929405
  H     -10.633368      8.625400      4.967432
  H      -9.677834      9.886874      6.870237
  H      -6.082225      7.513328      6.633600
  H      -6.183310      1.386873      5.441186
  H      -7.809410      4.284517      8.478407
  H      -9.273948      6.263464      8.893810
  H     -11.344234      6.583810      7.502229
  H     -10.513097      2.935802      5.337103
  N      -2.001727      2.557282      3.909441
  H      -1.440043      2.740251      3.072283
73
Coordinates from ORCA-job orca E -13783.449099096391
  N      -1.848676      0.889163      6.237799
  Mo     -3.113362      2.264656      5.242516
  N      -4.685125      2.051756      6.657820
  C      -4.417516      2.807471      7.886490
  C      -2.922973      2.825154      8.161253
  N      -2.134832      3.281084      6.944923
  C      -0.709431      2.804996      7.034193
  C      -0.673363      1.265937      6.985643
  C      -2.225862      4.797316      6.807209
  C      -2.755855      5.166097      5.431283
  N      -3.800762      4.192747      5.142500
  H       0.256857      0.921350      6.499308
  H      -0.707372      0.826499      7.997332
  H      -0.176716      3.236026      6.175043
  H      -0.259559      3.186762      7.962492
  H      -3.172480      6.184270      5.427123
  H      -1.970764      5.091824      4.660828
  H      -2.945921      5.134030      7.563830
  H      -1.245749      5.237525      7.034902
  H      -4.925582      2.332396      8.742398
  H      -4.843475      3.823839      7.810574
  H      -2.583470      1.815161      8.420933
  H      -2.672194      3.498305      8.992858
  C      -2.246474     -0.192936      5.602200
  N      -3.332138      0.168548      4.897027
  C      -4.096057     -0.310170      3.836791
  O      -4.683091      0.585734      3.174201
  C      -4.171345     -1.770341      3.569968
  C      -4.381318     -2.223839      2.257919
  C      -4.431923     -3.593641      2.008623
  C      -4.295208     -4.516553      3.051376
  C      -4.111463     -4.050704      4.353395
  Br     -3.955177     -5.289717      5.785561
  C      -4.044640     -2.688240      4.626742
  C      -5.091967      4.536099      4.956053
  N      -5.551653      5.754461      4.994946
  C      -6.895384      5.857707      4.562434
  O      -7.399694      5.074508      3.758539
  C      -7.676582      6.992291      5.137644
  C      -8.957887      7.268077      4.616901
  C      -9.727678      8.299278      5.152149
  C      -9.250172      9.048125      6.226041
  C      -7.980273      8.752090      6.743559
  Br     -7.326351      9.752472      8.233231
  C      -7.180470      7.745335      6.206381
  C      -6.004233      1.895255      6.371939
  N      -6.931995      2.414968      7.134522
  C      -8.274274      2.311986      6.671613
  O      -8.736765      1.341550      6.055330
  C      -9.065958      3.537473      7.001989
  C      -8.674883      4.418014      8.018897
  C      -9.417752      5.568596      8.287395
  C     -10.531793      5.874630      7.531344
  C     -10.899737      4.999215      6.512095
  Br    -12.389556      5.451355      5.441570
  C     -10.198016      3.825497      6.247293
  H      -1.740207     -1.168646      5.662477
  H      -4.492770     -1.498758      1.452076
  H      -4.581264     -3.957522      0.993229
  H      -4.338871     -5.586649      2.855895
  H      -3.943644     -2.347625      5.655862
  H      -5.759756      3.702661      4.698529
  H      -9.331406      6.659306      3.798671
  H     -10.720842      8.519147      4.743666
  H      -9.854350      9.849162      6.656716
  H      -6.183861      7.534095      6.608247
  H      -6.218106      1.375967      5.420566
  H      -7.799592      4.178832      8.598533
  H      -9.125616      6.246205      9.083959
  H     -11.103518      6.785439      7.719695
  H     -10.488996      3.145543      5.450965
  N      -2.005068      2.540723      3.913614
  H      -1.439213      2.728153      3.063573
73
Coordinates from ORCA-job orca E -13783.450057689244
  N      -1.874295      0.896972      6.225386
  Mo     -3.139381      2.252589      5.212396
  N      -4.717685      2.060583      6.627419
  C      -4.443500      2.848076      7.837096
  C      -2.949678      2.868899      8.112861
  N      -2.157151      3.302754      6.891761
  C      -0.735309      2.830956      6.990406
  C      -0.700137      1.289399      6.965264
  C      -2.239568      4.817942      6.728314
  C      -2.786895      5.161637      5.349613
  N      -3.833855      4.177534      5.091497
  H       0.225212      0.938345      6.481979
  H      -0.731279      0.865176      7.983028
  H      -0.203486      3.247124      6.123715
  H      -0.284248      3.229036      7.913185
  H      -3.202327      6.180044      5.337524
  H      -2.013863      5.078146      4.568217
  H      -2.946496      5.175061      7.489701
  H      -1.254283      5.260477      6.930296
  H      -4.952174      2.393555      8.702273
  H      -4.867712      3.862213      7.740377
  H      -2.616543      1.861787      8.391454
  H      -2.702481      3.557622      8.935658
  C      -2.270942     -0.196410      5.614080
  N      -3.360935      0.146876      4.914386
  C      -4.109625     -0.350146      3.879914
  O      -4.691841      0.499668      3.202878
  C      -4.136718     -1.791848      3.626023
  C      -4.338107     -2.258118      2.325262
  C      -4.364699     -3.618452      2.092743
  C      -4.213176     -4.518450      3.140953
  C      -4.035418     -4.039177      4.431421
  Br     -3.869741     -5.260654      5.873700
  C      -3.990747     -2.685243      4.688380
  C      -5.128148      4.524675      4.941504
  N      -5.557081      5.747174      5.000288
  C      -6.923056      5.880277      4.646441
  O      -7.503633      5.115315      3.864807
  C      -7.609977      7.048154      5.268936
  C      -8.906179      7.363943      4.835708
  C      -9.583634      8.430384      5.421571
  C      -8.993857      9.179049      6.461260
  C      -7.710737      8.840830      6.893649
  Br     -6.913153      9.821664      8.335247
  C      -7.003070      7.799138      6.303604
  C      -6.040920      1.876532      6.348128
  N      -6.975837      2.401592      7.081658
  C      -8.285367      2.292194      6.578460
  O      -8.676637      1.349030      5.931280
  C      -9.130701      3.484988      6.878227
  C      -8.775982      4.398179      7.879502
  C      -9.577338      5.510433      8.122936
  C     -10.722360      5.738289      7.359367
  C     -11.054573      4.830725      6.355150
  Br    -12.595098      5.167111      5.275636
  C     -10.287061      3.699444      6.112840
  H      -1.766381     -1.170391      5.686317
  H      -4.466811     -1.548211      1.515206
  H      -4.512218     -3.994113      1.085084
  H      -4.244267     -5.584094      2.959084
  H      -3.900182     -2.332806      5.710352
  H      -5.824347      3.696751      4.723370
  H      -9.365762      6.757962      4.042011
  H     -10.587444      8.683242      5.080939
  H      -9.526434     10.007148      6.929567
  H      -5.999143      7.552819      6.637162
  H      -6.253266      1.336864      5.418956
  H      -7.878260      4.217718      8.467299
  H      -9.309974      6.213380      8.907465
  H     -11.344482      6.615216      7.530923
  H     -10.554329      2.989081      5.331680
  N      -2.058399      2.494155      3.867255
  H      -1.517989      2.659706      3.013167
73
Coordinates from ORCA-job orca E -13783.450185483014
  N      -1.827835      0.926947      6.254227
  Mo     -3.080718      2.277011      5.209780
  N      -4.680753      2.114561      6.611541
  C      -4.405869      2.910767      7.816082
  C      -2.915634      2.923631      8.105101
  N      -2.111647      3.341248      6.887386
  C      -0.691510      2.866711      7.003568
  C      -0.657180      1.326116      6.995843
  C      -2.193123      4.853736      6.709296
  C      -2.741673      5.185367      5.328846
  N      -3.784709      4.198321      5.074747
  H       0.269249      0.969716      6.522616
  H      -0.694510      0.914787      8.016617
  H      -0.152138      3.271516      6.138629
  H      -0.248232      3.272371      7.926090
  H      -3.161118      6.201876      5.308465
  H      -1.967220      5.096932      4.550574
  H      -2.895342      5.219892      7.469020
  H      -1.206055      5.293959      6.903678
  H      -4.924977      2.469196      8.681197
  H      -4.818662      3.927962      7.705434
  H      -2.589600      1.920046      8.397727
  H      -2.671581      3.619778      8.921827
  C      -2.226424     -0.173156      5.658037
  N      -3.307297      0.170123      4.944520
  C      -4.053289     -0.314804      3.903460
  O      -4.624278      0.553278      3.238976
  C      -4.172133     -1.759741      3.664330
  C      -4.435562     -2.210726      2.363278
  C      -4.553088     -3.578831      2.117526
  C      -4.429632     -4.503259      3.156571
  C      -4.189193     -4.038617      4.451320
  Br     -4.054054     -5.286366      5.879167
  C      -4.055269     -2.674993      4.720729
  C      -5.080740      4.541481      4.928500
  N      -5.516760      5.759398      4.994342
  C      -6.870930      5.914958      4.626699
  O      -7.431135      5.193463      3.818003
  C      -7.572159      7.044531      5.287454
  C      -8.884588      7.345942      4.898395
  C      -9.578568      8.365027      5.529627
  C      -8.982220      9.082032      6.569533
  C      -7.678516      8.765571      6.953683
  Br     -6.855015      9.725391      8.385640
  C      -6.958482      7.766227      6.321597
  C      -6.001718      1.922396      6.337085
  N      -6.932682      2.442620      7.054669
  C      -8.247177      2.277095      6.563601
  O      -8.651753      1.242733      5.971907
  C      -9.127419      3.446239      6.822018
  C      -8.800927      4.390335      7.800173
  C      -9.650519      5.465984      8.012870
  C     -10.816361      5.626188      7.238385
  C     -11.116837      4.690359      6.255074
  Br    -12.676215      4.938639      5.158485
  C     -10.300633      3.594248      6.045455
  H      -1.728383     -1.148416      5.745697
  H      -4.541161     -1.482216      1.560584
  H      -4.748701     -3.939957      1.106659
  H      -4.529578     -5.575329      2.964477
  H      -3.918514     -2.333371      5.745134
  H      -5.772561      3.715088      4.705251
  H      -9.351763      6.763032      4.105945
  H     -10.601011      8.600948      5.225984
  H      -9.526092      9.874278      7.071971
  H      -5.934936      7.538754      6.617304
  H      -6.211970      1.380601      5.405625
  H      -7.888410      4.261643      8.397793
  H      -9.406466      6.193087      8.781245
  H     -11.477677      6.470604      7.387963
  H     -10.544272      2.860282      5.285737
  N      -1.976068      2.507677      3.874806
  H      -1.433198      2.664600      3.029624
73
Coordinates from ORCA-job orca E -13783.449307057261
  N      -1.811766      0.927095      6.275891
  Mo     -3.076483      2.267155      5.248704
  N      -4.662666      2.062223      6.635703
  C      -4.402414      2.850011      7.850110
  C      -2.914946      2.879310      8.142704
  N      -2.115500      3.320420      6.936928
  C      -0.692807      2.860758      7.053353
  C      -0.644981      1.327383      7.025076
  C      -2.211945      4.829234      6.774174
  C      -2.765566      5.170102      5.399206
  N      -3.800108      4.180544      5.131577
  H       0.284668      0.988678      6.551998
  H      -0.678778      0.904867      8.035611
  H      -0.156272      3.280151      6.199290
  H      -0.253901      3.258314      7.978519
  H      -3.193660      6.181576      5.385508
  H      -1.988185      5.094298      4.624514
  H      -2.914211      5.180438      7.537121
  H      -1.229169      5.274786      6.971539
  H      -4.918275      2.395653      8.709621
  H      -4.825011      3.864144      7.747379
  H      -2.576734      1.879261      8.419892
  H      -2.679501      3.563704      8.968702
  C      -2.200315     -0.171102      5.665503
  N      -3.285163      0.170634      4.956005
  C      -4.036123     -0.294555      3.893659
  O      -4.612484      0.616992      3.256480
  C      -4.176731     -1.748891      3.613896
  C      -4.464400     -2.168643      2.294179
  C      -4.587796     -3.541256      2.009089
  C      -4.445699     -4.502312      3.027659
  C      -4.183021     -4.069693      4.342373
  Br     -4.012744     -5.355460      5.740437
  C      -4.044509     -2.702935      4.650651
  C      -5.099616      4.516753      4.971861
  N      -5.557616      5.735336      5.020989
  C      -6.890295      5.878369      4.587794
  O      -7.403568      5.122599      3.771005
  C      -7.638327      7.025924      5.180770
  C      -8.901587      7.340743      4.688274
  C      -9.634642      8.390854      5.242584
  C      -9.129951      9.121359      6.308354
  C      -7.877386      8.788011      6.797068
  Br     -7.177452      9.772886      8.269356
  C      -7.117236      7.759487      6.241760
  C      -5.986014      1.862972      6.373493
  N      -6.921971      2.358641      7.137136
  C      -8.253173      2.207888      6.682087
  O      -8.671131      1.230443      6.076713
  C      -9.091092      3.409225      6.975424
  C      -8.702387      4.376331      7.939092
  C      -9.472139      5.531785      8.149745
  C     -10.619335      5.746834      7.389563
  C     -10.994360      4.774076      6.430069
  Br    -12.526374      5.100181      5.352490
  C     -10.257219      3.603427      6.222191
  H      -1.694651     -1.139212      5.740022
  H      -4.579687     -1.414004      1.507791
  H      -4.798483     -3.876446      0.984098
  H      -4.544951     -5.575233      2.804437
  H      -3.885878     -2.387439      5.689564
  H      -5.770817      3.689786      4.715017
  H      -9.295360      6.749904      3.875001
  H     -10.615294      8.640637      4.855093
  H      -9.703385      9.940783      6.751782
  H      -6.130896      7.521521      6.619694
  H      -6.195141      1.326337      5.424739
  H      -7.793067      4.215851      8.515608
  H      -9.167311      6.293346      8.898498
  H     -11.209883      6.662635      7.529864
  H     -10.547617      2.854986      5.472895
  N      -1.987876      2.533742      3.914709
  H      -1.452810      2.713320      3.061517
73
Coordinates from ORCA-job orca E -13783.452824474396
  N      -1.853777      0.912590      6.280952
  Mo     -3.087557      2.262083      5.217623
  N      -4.701626      2.092356      6.599234
  C      -4.446711      2.910634      7.793353
  C      -2.959507      2.923577      8.105555
  N      -2.127528      3.331193      6.900014
  C      -0.712656      2.842920      7.045249
  C      -0.692999      1.299585      7.045703
  C      -2.187930      4.844426      6.705023
  C      -2.724172      5.169446      5.316285
  N      -3.774920      4.190433      5.062950
  H       0.243121      0.929442      6.589639
  H      -0.755683      0.889691      8.070321
  H      -0.150867      3.238794      6.185572
  H      -0.282474      3.250351      7.973284
  H      -3.133450      6.190695      5.281438
  H      -1.942900      5.065916      4.544692
  H      -2.887601      5.230447      7.459057
  H      -1.195063      5.273552      6.896727
  H      -4.982550      2.485372      8.657772
  H      -4.854357      3.927478      7.658633
  H      -2.643520      1.917011      8.408380
  H      -2.728245      3.622230      8.924095
  C      -2.252564     -0.190278      5.683891
  N      -3.328877      0.155300      4.959240
  C      -4.073742     -0.316011      3.895533
  O      -4.617896      0.586610      3.218012
  C      -4.168187     -1.766199      3.621809
  C      -4.395950     -2.210049      2.309955
  C      -4.469212     -3.575407      2.056816
  C      -4.338710     -4.503133      3.095779
  C      -4.137482     -4.046379      4.398204
  Br     -3.991696     -5.293704      5.825647
  C      -4.047572     -2.688940      4.675234
  C      -5.068762      4.543948      4.913342
  N      -5.511224      5.764903      4.978715
  C      -6.880313      5.880708      4.618112
  O      -7.443733      5.112492      3.826191
  C      -7.606256      7.019998      5.249214
  C      -8.912412      7.312298      4.811787
  C      -9.627090      8.350941      5.402529
  C      -9.067164      9.091520      6.450747
  C      -7.774751      8.776523      6.886840
  Br     -7.014915      9.752514      8.342401
  C      -7.029279      7.763384      6.292034
  C      -6.014967      1.888468      6.319544
  N      -6.950324      2.409881      7.053876
  C      -8.275469      2.269160      6.588511
  O      -8.688359      1.297386      5.980503
  C      -9.115924      3.463524      6.896689
  C      -8.746576      4.386684      7.885561
  C      -9.546135      5.497828      8.136716
  C     -10.700302      5.719388      7.390976
  C     -11.046334      4.802562      6.398880
  Br    -12.597815      5.134064      5.343796
  C     -10.282480      3.670067      6.151329
  H      -1.761879     -1.171626      5.777357
  H      -4.502172     -1.480260      1.507228
  H      -4.632686     -3.932413      1.041172
  H      -4.400838     -5.569690      2.897544
  H      -3.935569     -2.353654      5.705114
  H      -5.758616      3.715956      4.688912
  H      -9.348322      6.712400      4.010875
  H     -10.638043      8.585764      5.057316
  H      -9.627146      9.898991      6.923611
  H      -6.016890      7.536324      6.629523
  H      -6.227324      1.329924      5.400043
  H      -7.841221      4.211168      8.456767
  H      -9.269485      6.207017      8.912359
  H     -11.321474      6.595233      7.567803
  H     -10.560254      2.951761      5.380811
  N      -1.984268      2.466570      3.876473
  H      -1.441545      2.613781      3.008322
73
Coordinates from ORCA-job orca E -13783.453072722561
  N      -1.841693      0.919385      6.281508
  Mo     -3.077304      2.254492      5.210254
  N      -4.699219      2.097427      6.576015
  C      -4.440843      2.922346      7.766934
  C      -2.957479      2.932248      8.086589
  N      -2.126172      3.335514      6.885481
  C      -0.712243      2.859855      7.037030
  C      -0.683679      1.321800      7.041342
  C      -2.193957      4.844182      6.692137
  C      -2.749027      5.163105      5.311554
  N      -3.789985      4.173205      5.061515
  H       0.248742      0.960947      6.587006
  H      -0.738559      0.918152      8.062307
  H      -0.153247      3.254629      6.181577
  H      -0.284327      3.272021      7.963028
  H      -3.168153      6.178411      5.284030
  H      -1.974098      5.070771      4.535277
  H      -2.883614      5.227645      7.454194
  H      -1.200729      5.276729      6.870646
  H      -4.979497      2.504387      8.631500
  H      -4.844204      3.939784      7.626958
  H      -2.643605      1.929909      8.394172
  H      -2.729793      3.632751      8.903834
  C      -2.237431     -0.186396      5.694700
  N      -3.313103      0.153327      4.971464
  C      -4.040822     -0.312081      3.910182
  O      -4.584912      0.575237      3.244231
  C      -4.152980     -1.747760      3.645937
  C      -4.424135     -2.189055      2.345255
  C      -4.530694     -3.549378      2.094720
  C      -4.388817     -4.473810      3.126602
  C      -4.140282     -4.018446      4.419629
  Br     -3.983746     -5.269890      5.839196
  C      -4.016670     -2.664393      4.693881
  C      -5.086492      4.518556      4.922908
  N      -5.523502      5.735723      5.005501
  C      -6.870172      5.897979      4.629816
  O      -7.415051      5.188648      3.804626
  C      -7.576850      7.031595      5.285552
  C      -8.889440      7.326923      4.889025
  C      -9.582130      8.363282      5.504589
  C      -8.984111      9.107172      6.534572
  C      -7.679956      8.796095      6.926841
  Br     -6.850192      9.798997      8.339490
  C      -6.963327      7.776622      6.311309
  C      -6.022308      1.876104      6.320926
  N      -6.958517      2.391250      7.055740
  C      -8.276529      2.228886      6.589893
  O      -8.680809      1.219973      6.004561
  C      -9.141383      3.415975      6.863064
  C      -8.788778      4.371214      7.828197
  C      -9.605973      5.479828      8.045359
  C     -10.763564      5.664533      7.287613
  C     -11.092344      4.716739      6.317616
  Br    -12.640577      5.003071      5.239827
  C     -10.310448      3.586427      6.105402
  H      -1.747623     -1.163260      5.789572
  H      -4.543256     -1.459992      1.548184
  H      -4.733138     -3.905346      1.085683
  H      -4.481602     -5.539778      2.930477
  H      -3.873275     -2.328520      5.717929
  H      -5.776898      3.697554      4.687290
  H      -9.354174      6.726622      4.101374
  H     -10.602681      8.596196      5.193905
  H      -9.523849      9.917504      7.022675
  H      -5.938656      7.556478      6.610572
  H      -6.228091      1.313239      5.398446
  H      -7.877736      4.227968      8.408388
  H      -9.338103      6.217561      8.801975
  H     -11.397691      6.538210      7.438422
  H     -10.574384      2.846035      5.353715
  N      -1.982489      2.486440      3.874373
  H      -1.460796      2.647965      3.015107
73
Coordinates from ORCA-job orca E -13783.454174708842
  N      -1.825760      0.938182      6.304155
  Mo     -3.053692      2.267225      5.213077
  N      -4.682874      2.116041      6.572135
  C      -4.434834      2.959103      7.752504
  C      -2.954099      2.972411      8.084219
  N      -2.108846      3.361289      6.886693
  C      -0.697869      2.878401      7.056670
  C      -0.674250      1.339442      7.074686
  C      -2.167489      4.868647      6.672273
  C      -2.718510      5.175542      5.285794
  N      -3.761639      4.186851      5.042492
  H       0.263160      0.970106      6.633426
  H      -0.743624      0.943572      8.099133
  H      -0.127885      3.263047      6.203061
  H      -0.278184      3.296583      7.983837
  H      -3.135758      6.191890      5.246060
  H      -1.941036      5.072475      4.512949
  H      -2.852030      5.268712      7.430657
  H      -1.170596      5.295382      6.842739
  H      -4.982835      2.556194      8.618369
  H      -4.833275      3.974836      7.590553
  H      -2.644234      1.972724      8.405017
  H      -2.732877      3.680717      8.896295
  C      -2.220543     -0.172592      5.725191
  N      -3.292445      0.164001      4.992994
  C      -4.018312     -0.295343      3.922276
  O      -4.544900      0.610271      3.253641
  C      -4.172151     -1.734654      3.657546
  C      -4.458045     -2.164695      2.352093
  C      -4.600230     -3.528267      2.092333
  C      -4.478711     -4.467893      3.120818
  C      -4.216098     -4.023726      4.419694
  Br     -4.081769     -5.289844      5.833462
  C      -4.058013     -2.666390      4.702919
  C      -5.059792      4.533940      4.906458
  N      -5.500752      5.753492      4.981896
  C      -6.863426      5.895124      4.628256
  O      -7.440565      5.141991      3.835475
  C      -7.565196      7.030154      5.289685
  C      -8.871735      7.336589      4.897300
  C      -9.564495      8.366080      5.523526
  C      -8.975437      9.086322      6.562308
  C      -7.678775      8.762589      6.950970
  Br     -6.868078      9.722971      8.383215
  C      -6.958598      7.755163      6.322403
  C      -5.999142      1.885979      6.308649
  N      -6.940026      2.400241      7.034292
  C      -8.261446      2.212661      6.577389
  O      -8.661345      1.194166      6.001801
  C      -9.138165      3.385259      6.847467
  C      -8.785707      4.352331      7.802082
  C      -9.615705      5.448302      8.015462
  C     -10.786273      5.608053      7.263213
  C     -11.115904      4.646720      6.304277
  Br    -12.678251      4.903048      5.233173
  C     -10.320073      3.529576      6.096088
  H      -1.735288     -1.151378      5.828732
  H      -4.558873     -1.424889      1.557600
  H      -4.812545     -3.874102      1.078979
  H      -4.596698     -5.535699      2.917268
  H      -3.903246     -2.339323      5.730555
  H      -5.750210      3.708058      4.679673
  H      -9.331395      6.752543      4.103946
  H     -10.580015      8.608656      5.215080
  H      -9.517610      9.887781      7.060467
  H      -5.941908      7.521727      6.621781
  H      -6.203000      1.312231      5.389254
  H      -7.862902      4.230246      8.375788
  H      -9.346435      6.199004      8.762671
  H     -11.428294      6.474210      7.409361
  H     -10.582084      2.779857      5.352776
  N      -1.947905      2.474602      3.878539
  H      -1.425626      2.622998      3.013583
73
Coordinates from ORCA-job orca E -13783.454662015962
  N      -1.844130      0.935502      6.324464
  Mo     -3.062262      2.261875      5.219276
  N      -4.690160      2.117771      6.580337
  C      -4.447608      2.987303      7.742693
  C      -2.967901      3.000026      8.081243
  N      -2.109830      3.368854      6.883990
  C      -0.704627      2.872552      7.069593
  C      -0.696874      1.330448      7.104591
  C      -2.148423      4.875427      6.646401
  C      -2.698355      5.169800      5.254985
  N      -3.751116      4.187975      5.022023
  H       0.243818      0.945247      6.675158
  H      -0.783350      0.943298      8.134647
  H      -0.122125      3.242840      6.214047
  H      -0.288565      3.297411      7.995736
  H      -3.106300      6.190405      5.200986
  H      -1.920335      5.049698      4.483081
  H      -2.822324      5.299244      7.403139
  H      -1.143859      5.290572      6.803369
  H      -5.003877      2.606856      8.613895
  H      -4.839328      4.001073      7.554193
  H      -2.666239      2.000523      8.415946
  H      -2.748385      3.717568      8.886870
  C      -2.244252     -0.180347      5.755335
  N      -3.316170      0.155155      5.019974
  C      -4.045378     -0.298174      3.942590
  O      -4.550595      0.627577      3.265463
  C      -4.191401     -1.742034      3.656006
  C      -4.463806     -2.162777      2.339947
  C      -4.576470     -3.526591      2.065868
  C      -4.438823     -4.475779      3.089177
  C      -4.192757     -4.041743      4.397858
  Br     -4.030566     -5.314808      5.803536
  C      -4.065465     -2.685910      4.695468
  C      -5.046148      4.546470      4.888788
  N      -5.484637      5.766313      4.978502
  C      -6.847016      5.906640      4.624705
  O      -7.404877      5.183312      3.806280
  C      -7.565549      7.026325      5.294535
  C      -8.878785      7.322249      4.897832
  C      -9.582732      8.346366      5.523776
  C      -8.998687      9.073579      6.563770
  C      -7.697385      8.757920      6.957424
  Br     -6.895506      9.728143      8.393939
  C      -6.967024      7.753530      6.330906
  C      -6.001532      1.875781      6.312949
  N      -6.945140      2.396521      7.030246
  C      -8.269836      2.203109      6.582754
  O      -8.665755      1.199926      6.004409
  C      -9.138496      3.385357      6.860923
  C      -8.783885      4.350089      7.819374
  C      -9.603800      5.457592      8.036023
  C     -10.764095      5.633606      7.282909
  C     -11.098985      4.671388      6.322441
  Br    -12.660958      4.936615      5.257955
  C     -10.314419      3.541684      6.111884
  H      -1.766537     -1.164555      5.865391
  H      -4.570888     -1.416460      1.549125
  H      -4.774023     -3.865021      1.045641
  H      -4.528188     -5.541127      2.874123
  H      -3.917148     -2.367507      5.730085
  H      -5.740039      3.725086      4.661871
  H      -9.331900      6.735130      4.101221
  H     -10.601666      8.581917      5.211003
  H      -9.546968      9.874247      7.060669
  H      -5.945244      7.528421      6.633959
  H      -6.205869      1.282192      5.414395
  H      -7.871117      4.212411      8.393107
  H      -9.336919      6.201338      8.787509
  H     -11.399230      6.507717      7.431388
  H     -10.582485      2.787770      5.367603
  N      -1.960017      2.428399      3.875346
  H      -1.441848      2.558203      2.994552
73
Coordinates from ORCA-job orca E -13783.455459192506
  N      -1.845346      0.931794      6.350139
  Mo     -3.048599      2.247434      5.212937
  N      -4.698467      2.135985      6.547337
  C      -4.466572      3.017966      7.701244
  C      -2.992485      3.024554      8.062653
  N      -2.115624      3.373213      6.874914
  C      -0.714949      2.875911      7.088640
  C      -0.709442      1.335457      7.142573
  C      -2.145972      4.875373      6.619695
  C      -2.699500      5.155775      5.227779
  N      -3.748625      4.169632      4.998717
  H       0.235949      0.945273      6.731030
  H      -0.810073      0.961223      8.175102
  H      -0.119323      3.234017      6.238212
  H      -0.312140      3.312014      8.015639
  H      -3.111990      6.173613      5.167627
  H      -1.920477      5.034652      4.458351
  H      -2.810432      5.313473      7.376130
  H      -1.137492      5.284234      6.765376
  H      -5.036741      2.652364      8.569438
  H      -4.849197      4.031972      7.494748
  H      -2.700493      2.028318      8.414691
  H      -2.781640      3.750155      8.862773
  C      -2.239881     -0.188399      5.789457
  N      -3.304490      0.143829      5.041389
  C      -4.012474     -0.294223      3.945207
  O      -4.502307      0.644709      3.273964
  C      -4.169825     -1.729513      3.648869
  C      -4.450124     -2.141456      2.335247
  C      -4.581035     -3.500599      2.059184
  C      -4.453628     -4.452510      3.077347
  C      -4.198266     -4.026448      4.382942
  Br     -4.056759     -5.306683      5.783257
  C      -4.052469     -2.675824      4.682583
  C      -5.046016      4.526639      4.880427
  N      -5.478243      5.749113      4.971130
  C      -6.841880      5.898098      4.629179
  O      -7.413298      5.171538      3.818996
  C      -7.540740      7.030936      5.302414
  C      -8.855901      7.332233      4.922650
  C      -9.541869      8.368889      5.551760
  C      -8.938116      9.103777      6.578315
  C      -7.633878      8.783692      6.954999
  Br     -6.802662      9.767108      8.370013
  C      -6.921387      7.766907      6.324756
  C      -6.012756      1.872538      6.301603
  N      -6.956574      2.387418      7.033863
  C      -8.285698      2.175897      6.609201
  O      -8.682469      1.156028      6.061642
  C      -9.160091      3.356138      6.872710
  C      -8.803171      4.337844      7.808922
  C      -9.633788      5.434669      8.018482
  C     -10.806827      5.584361      7.278623
  C     -11.140962      4.609501      6.337552
  Br    -12.718973      4.842052      5.287966
  C     -10.346350      3.488840      6.135609
  H      -1.766401     -1.172651      5.911447
  H      -4.551833     -1.393057      1.548652
  H      -4.787809     -3.833767      1.041637
  H      -4.560719     -5.515148      2.860785
  H      -3.901434     -2.363127      5.715404
  H      -5.743443      3.703988      4.662460
  H      -9.323807      6.739757      4.136081
  H     -10.561718      8.609423      5.251890
  H      -9.472891      9.913972      7.077041
  H      -5.897858      7.538486      6.613688
  H      -6.214668      1.269617      5.404908
  H      -7.880398      4.220731      8.372158
  H      -9.364475      6.191719      8.753058
  H     -11.449264      6.451643      7.420314
  H     -10.615858      2.723555      5.407684
  N      -1.933114      2.431689      3.880668
  H      -1.424945      2.579186      2.997319
73
Coordinates from ORCA-job orca E -13783.455498115398
  N      -1.827159      0.955611      6.375059
  Mo     -3.011499      2.251770      5.213712
  N      -4.674720      2.140663      6.520015
  C      -4.450488      3.064963      7.651553
  C      -2.984202      3.074256      8.035760
  N      -2.092056      3.398408      6.860585
  C      -0.701491      2.904200      7.106762
  C      -0.706505      1.370292      7.183147
  C      -2.108318      4.890731      6.581078
  C      -2.659174      5.152291      5.183269
  N      -3.706541      4.167684      4.954856
  H       0.240165      0.974892      6.798136
  H      -0.826108      1.014266      8.212419
  H      -0.091457      3.242617      6.266003
  H      -0.306265      3.350564      8.029949
  H      -3.063851      6.169775      5.108288
  H      -1.875772      5.016545      4.423167
  H      -2.763109      5.350287      7.328969
  H      -1.096420      5.289949      6.715368
  H      -5.033361      2.730155      8.521381
  H      -4.824465      4.075031      7.410117
  H      -2.703116      2.086389      8.405772
  H      -2.783949      3.808081      8.828880
  C      -2.228881     -0.171541      5.833741
  N      -3.286527      0.159520      5.078704
  C      -3.986952     -0.256269      3.985335
  O      -4.452972      0.691117      3.330089
  C      -4.193725     -1.669905      3.690304
  C      -4.523104     -2.070571      2.389525
  C      -4.717641     -3.419110      2.121151
  C      -4.603904     -4.370166      3.135378
  C      -4.295317     -3.953979      4.428736
  Br     -4.177358     -5.238788      5.825723
  C      -4.084994     -2.613324      4.720229
  C      -5.001541      4.526205      4.827364
  N      -5.436981      5.747987      4.935466
  C      -6.803327      5.899390      4.616630
  O      -7.399245      5.164283      3.815506
  C      -7.493366      7.012302      5.331589
  C      -8.834836      7.285402      5.012718
  C      -9.524207      8.281231      5.694446
  C      -8.897055      9.002867      6.714528
  C      -7.561256      8.718982      7.025975
  Br     -6.697042      9.684431      8.423700
  C      -6.845201      7.743983      6.342832
  C      -5.984088      1.861196      6.274857
  N      -6.938948      2.400081      6.967115
  C      -8.249631      2.160169      6.532732
  O      -8.623093      1.111088      6.001713
  C      -9.162313      3.318010      6.789911
  C      -8.833425      4.321080      7.718230
  C      -9.699376      5.391591      7.924230
  C     -10.882852      5.493085      7.187690
  C     -11.184250      4.504881      6.250289
  Br    -12.761522      4.691001      5.194423
  C     -10.351492      3.411728      6.052075
  H      -1.767022     -1.154947      5.973431
  H      -4.617910     -1.321489      1.606775
  H      -4.967811     -3.744740      1.112785
  H      -4.765510     -5.427116      2.925037
  H      -3.898006     -2.304741      5.744890
  H      -5.696196      3.710859      4.590259
  H      -9.323958      6.696811      4.233329
  H     -10.569559      8.493574      5.446082
  H      -9.436958      9.776107      7.255841
  H      -5.800049      7.540064      6.582307
  H      -6.167510      1.216778      5.391498
  H      -7.898903      4.244586      8.276364
  H      -9.444021      6.172073      8.649797
  H     -11.553692      6.339259      7.327184
  H     -10.588611      2.645823      5.323985
  N      -1.888523      2.425695      3.891345
  H      -1.422654      2.571544      3.003107
73
Coordinates from ORCA-job orca E -13783.457205999244
  N      -1.851946      0.963479      6.419640
  Mo     -3.023709      2.241660      5.211370
  N      -4.699053      2.175624      6.506998
  C      -4.483840      3.116905      7.623803
  C      -3.020661      3.133375      8.018300
  N      -2.111636      3.424287      6.844571
  C      -0.726468      2.923232      7.120435
  C      -0.741032      1.386547      7.237221
  C      -2.114785      4.909730      6.519639
  C      -2.667847      5.139737      5.114743
  N      -3.720203      4.152651      4.905234
  H       0.211285      0.971348      6.875701
  H      -0.883736      1.055339      8.277768
  H      -0.102195      3.235734      6.275005
  H      -0.343235      3.393627      8.039529
  H      -3.074792      6.156642      5.018577
  H      -1.883515      4.988299      4.357246
  H      -2.754549      5.402433      7.261916
  H      -1.096074      5.300044      6.630616
  H      -5.073721      2.797350      8.494331
  H      -4.854175      4.121568      7.358535
  H      -2.746226      2.151548      8.416429
  H      -2.825106      3.886567      8.796404
  C      -2.246340     -0.175431      5.899209
  N      -3.297465      0.141884      5.128214
  C      -3.975006     -0.266884      4.016299
  O      -4.418345      0.695210      3.358762
  C      -4.186634     -1.678665      3.701224
  C      -4.511244     -2.059154      2.389798
  C      -4.692825     -3.406898      2.095311
  C      -4.568552     -4.377050      3.092984
  C      -4.265757     -3.981229      4.397480
  Br     -4.125761     -5.289544      5.771313
  C      -4.071156     -2.641920      4.715568
  C      -5.016028      4.523227      4.799385
  N      -5.430889      5.748904      4.913667
  C      -6.796574      5.925409      4.612357
  O      -7.403780      5.227816      3.799571
  C      -7.458593      7.035714      5.355210
  C      -8.792158      7.338890      5.065093
  C      -9.446033      8.343887      5.768988
  C      -8.786286      9.050010      6.778147
  C      -7.459731      8.734243      7.061251
  Br     -6.542292      9.693436      8.437815
  C      -6.783067      7.743995      6.359534
  C      -6.004076      1.866181      6.274317
  N      -6.959722      2.391980      6.973144
  C      -8.278888      2.111759      6.572021
  O      -8.650765      1.041303      6.080146
  C      -9.198720      3.261523      6.802424
  C      -8.868384      4.287595      7.699193
  C      -9.736948      5.359457      7.877853
  C     -10.922050      5.441053      7.142249
  C     -11.231708      4.420498      6.240734
  Br    -12.822423      4.564401      5.193106
  C     -10.398836      3.321687      6.072963
  H      -1.786539     -1.159070      6.064282
  H      -4.608793     -1.295958      1.618552
  H      -4.937330     -3.716446      1.078451
  H      -4.715190     -5.432704      2.861364
  H      -3.883991     -2.350484      5.747795
  H      -5.725678      3.708926      4.591581
  H      -9.302577      6.768417      4.290776
  H     -10.483618      8.582665      5.541854
  H      -9.294680      9.837166      7.331997
  H      -5.742901      7.518197      6.574791
  H      -6.195247      1.212232      5.408910
  H      -7.930665      4.229299      8.254114
  H      -9.482743      6.156225      8.578954
  H     -11.590841      6.293052      7.257278
  H     -10.646903      2.523171      5.375698
  N      -1.886422      2.377385      3.890248
  H      -1.424793      2.504430      2.985210
73
Coordinates from ORCA-job orca E -13783.458265589143
  N      -1.837686      0.975170      6.478674
  Mo     -2.985387      2.237650      5.229039
  N      -4.670749      2.199175      6.507722
  C      -4.470026      3.182306      7.591802
  C      -3.012872      3.202293      8.007018
  N      -2.080703      3.450425      6.840165
  C      -0.706898      2.939368      7.156206
  C      -0.742744      1.407087      7.312947
  C      -2.060502      4.924875      6.472472
  C      -2.607923      5.128055      5.061389
  N      -3.665686      4.145422      4.861887
  H       0.214589      0.971534      6.987200
  H      -0.915880      1.104432      8.357321
  H      -0.061069      3.220749      6.315378
  H      -0.334183      3.428883      8.068331
  H      -3.005996      6.145500      4.942045
  H      -1.818990      4.955349      4.313483
  H      -2.691576      5.448071      7.200702
  H      -1.034975      5.300719      6.572794
  H      -5.074733      2.896106      8.464767
  H      -4.831977      4.178629      7.286185
  H      -2.752835      2.228581      8.435178
  H      -2.822824      3.973879      8.768350
  C      -2.242262     -0.171652      5.983144
  N      -3.281970      0.149153      5.194100
  C      -3.960906     -0.221715      4.060676
  O      -4.350394      0.798117      3.417128
  C      -4.230026     -1.624784      3.706408
  C      -4.584944     -1.969844      2.388070
  C      -4.811654     -3.311660      2.069258
  C      -4.702090     -4.309759      3.048368
  C      -4.369832     -3.948554      4.359130
  Br     -4.244643     -5.286660      5.707331
  C      -4.131206     -2.617513      4.701268
  C      -4.961072      4.521219      4.759530
  N      -5.380764      5.744925      4.889170
  C      -6.750847      5.914667      4.596780
  O      -7.346572      5.237599      3.768298
  C      -7.426929      7.009608      5.354321
  C      -8.769662      7.293622      5.072487
  C      -9.433923      8.294254      5.780531
  C      -8.774322      9.019104      6.781949
  C      -7.442473      8.716969      7.058985
  Br     -6.535866      9.687433      8.433124
  C      -6.756164      7.729013      6.355547
  C      -5.970396      1.865664      6.288156
  N      -6.935388      2.401127      6.974724
  C      -8.253459      2.077570      6.598192
  O      -8.601405      0.998941      6.127679
  C      -9.197934      3.212212      6.812870
  C      -8.893575      4.258284      7.693775
  C      -9.790662      5.308668      7.857917
  C     -10.979287      5.348780      7.123065
  C     -11.264059      4.307171      6.239025
  Br    -12.873656      4.377047      5.203590
  C     -10.400977      3.230320      6.086317
  H      -1.796548     -1.157579      6.173159
  H      -4.667979     -1.187353      1.631216
  H      -5.077921     -3.594700      1.048790
  H      -4.880583     -5.358662      2.797523
  H      -3.918615     -2.352663      5.737692
  H      -5.669337      3.707424      4.547518
  H      -9.277144      6.710691      4.301483
  H     -10.476499      8.519765      5.558904
  H      -9.289117      9.805572      7.338397
  H      -5.712214      7.514479      6.566912
  H      -6.149657      1.174077      5.452615
  H      -7.956361      4.228429      8.248015
  H      -9.560544      6.115471      8.547876
  H     -11.669705      6.184005      7.225153
  H     -10.630699      2.412281      5.403129
  N      -1.831887      2.330500      3.919296
  H      -1.387417      2.442192      3.001554
73
Coordinates from ORCA-job orca E -13783.459576017516
  N      -1.864460      0.985954      6.543139
  Mo     -2.985939      2.219407      5.230128
  N      -4.691828      2.235717      6.483120
  C      -4.505211      3.250899      7.539687
  C      -3.054070      3.280715      7.974620
  N      -2.098249      3.479095      6.815644
  C      -0.735254      2.966140      7.178513
  C      -0.787744      1.438377      7.390769
  C      -2.057998      4.937450      6.387877
  C      -2.596084      5.095747      4.964271
  N      -3.659910      4.113549      4.782504
  H       0.174131      0.981735      7.106057
  H      -0.992662      1.173948      8.441770
  H      -0.069236      3.209104      6.339282
  H      -0.377261      3.487807      8.080007
  H      -2.988270      6.112198      4.811452
  H      -1.800635      4.895639      4.229131
  H      -2.679458      5.501167      7.095413
  H      -1.026241      5.300955      6.471174
  H      -5.122291      2.989661      8.411880
  H      -4.862411      4.237553      7.200135
  H      -2.807668      2.319936      8.442440
  H      -2.871818      4.077672      8.712604
  C      -2.267628     -0.173686      6.079027
  N      -3.296820      0.135370      5.271389
  C      -3.959447     -0.210647      4.128082
  O      -4.320305      0.835043      3.505605
  C      -4.238870     -1.596848      3.737095
  C      -4.606894     -1.908318      2.411646
  C      -4.827877     -3.241286      2.060688
  C      -4.699554     -4.262564      3.013441
  C      -4.354905     -3.934732      4.331918
  Br     -4.201878     -5.304350      5.644644
  C      -4.122388     -2.613535      4.706112
  C      -4.952797      4.505061      4.692934
  N      -5.348096      5.736876      4.824188
  C      -6.720473      5.930252      4.560827
  O      -7.345837      5.277421      3.730965
  C      -7.366675      7.009718      5.364263
  C      -8.720016      7.297200      5.141318
  C      -9.361359      8.269678      5.902137
  C      -8.669503      8.961682      6.897042
  C      -7.324149      8.662507      7.111065
  Br     -6.366856      9.600482      8.468943
  C      -6.659586      7.702869      6.355264
  C      -5.984583      1.868196      6.283127
  N      -6.953698      2.404771      6.961840
  C      -8.268683      2.038434      6.618704
  O      -8.600222      0.938169      6.195284
  C      -9.229910      3.168685      6.807867
  C      -8.933714      4.249657      7.654579
  C      -9.840999      5.299377      7.792738
  C     -11.032025      5.303742      7.064817
  C     -11.309737      4.227198      6.216765
  Br    -12.923665      4.248461      5.191727
  C     -10.436148      3.150617      6.091430
  H      -1.831338     -1.156934      6.307828
  H      -4.700890     -1.108259      1.673965
  H      -5.103054     -3.499411      1.034697
  H      -4.871560     -5.304070      2.736663
  H      -3.895735     -2.374141      5.747490
  H      -5.674924      3.696560      4.502758
  H      -9.253854      6.736104      4.376694
  H     -10.414138      8.494774      5.729172
  H      -9.167984      9.722961      7.495806
  H      -5.605909      7.488286      6.519155
  H      -6.163109      1.149849      5.474828
  H      -7.993454      4.248533      8.201060
  H      -9.613880      6.137707      8.452987
  H     -11.728155      6.140264      7.143445
  H     -10.660142      2.307161      5.435341
  N      -1.803840      2.270369      3.938993
  H      -1.385342      2.361841      3.001228
73
Coordinates from ORCA-job orca E -13783.460759868727
  N      -1.859863      1.011224      6.597344
  Mo     -2.963625      2.218074      5.240614
  N      -4.676440      2.257546      6.480112
  C      -4.500588      3.302664      7.513886
  C      -3.054106      3.346759      7.961708
  N      -2.088710      3.509466      6.809094
  C      -0.733676      3.002720      7.202484
  C      -0.797139      1.484627      7.451747
  C      -2.038194      4.949834      6.338471
  C      -2.555658      5.073853      4.901651
  N      -3.622205      4.094993      4.720102
  H       0.165571      1.018511      7.200376
  H      -1.023027      1.248902      8.501262
  H      -0.057910      3.218821      6.367993
  H      -0.382196      3.545698      8.092248
  H      -2.937431      6.088927      4.720651
  H      -1.749092      4.850660      4.186390
  H      -2.664461      5.538043      7.019672
  H      -1.005791      5.310142      6.421349
  H      -5.125328      3.059482      8.385569
  H      -4.857358      4.280341      7.148225
  H      -2.816103      2.399603      8.457580
  H      -2.877790      4.161469      8.679971
  C      -2.266663     -0.157721      6.162093
  N      -3.285753      0.143554      5.338250
  C      -3.954362     -0.164929      4.201313
  O      -4.280655      0.906242      3.609815
  C      -4.284876     -1.519475      3.784346
  C      -4.691852     -1.789601      2.463034
  C      -4.961018     -3.105475      2.090997
  C      -4.842636     -4.149174      3.018560
  C      -4.457411     -3.861726      4.334300
  Br     -4.316181     -5.265628      5.612769
  C      -4.175719     -2.557883      4.729031
  C      -4.910557      4.501727      4.617357
  N      -5.298226      5.733705      4.761412
  C      -6.667661      5.944424      4.508963
  O      -7.302507      5.313513      3.666952
  C      -7.308163      6.992819      5.358323
  C      -8.670125      7.265783      5.181365
  C      -9.304754      8.206463      5.986269
  C      -8.593195      8.888625      6.975448
  C      -7.237545      8.607269      7.141863
  Br     -6.244008      9.549908      8.478998
  C      -6.583951      7.671658      6.346790
  C      -5.954386      1.867749      6.272486
  N      -6.937292      2.414757      6.915127
  C      -8.235114      1.999588      6.585510
  O      -8.536921      0.870434      6.193021
  C      -9.235278      3.092459      6.767442
  C      -8.965679      4.190846      7.598615
  C      -9.900966      5.212826      7.730064
  C     -11.093789      5.174056      7.009031
  C     -11.349195      4.075061      6.181604
  Br    -12.968247      4.034283      5.172350
  C     -10.446630      3.023795      6.063793
  H      -1.839105     -1.134936      6.421853
  H      -4.778242     -0.972319      1.743823
  H      -5.267397     -3.333125      1.067122
  H      -5.053626     -5.178660      2.724136
  H      -3.914512     -2.346582      5.767160
  H      -5.635289      3.704920      4.413257
  H      -9.214377      6.718138      4.417678
  H     -10.363958      8.420364      5.849941
  H      -9.082596      9.632677      7.604338
  H      -5.521141      7.472595      6.471944
  H      -6.121739      1.110848      5.487785
  H      -8.019450      4.229531      8.135134
  H      -9.691032      6.069060      8.374738
  H     -11.808267      5.994534      7.078076
  H     -10.650594      2.165844      5.421552
  N      -1.753574      2.234315      3.971374
  H      -1.375832      2.308026      3.015494
73
Coordinates from ORCA-job orca E -13783.461575860139
  N      -1.849981      1.020555      6.656459
  Mo     -2.935043      2.205415      5.252089
  N      -4.658210      2.299509      6.479923
  C      -4.490352      3.371651      7.482531
  C      -3.049133      3.419855      7.946912
  N      -2.072319      3.534033      6.797842
  C      -0.724237      3.028499      7.218380
  C      -0.800780      1.518773      7.513334
  C      -2.008808      4.959199      6.284364
  C      -2.515262      5.046060      4.840332
  N      -3.585574      4.066583      4.672086
  H       0.164156      1.039092      7.296509
  H      -1.047797      1.317864      8.566084
  H      -0.039644      3.214323      6.383121
  H      -0.376822      3.596691      8.093901
  H      -2.888855      6.058949      4.633039
  H      -1.704429      4.801741      4.137252
  H      -2.638494      5.570569      6.942366
  H      -0.974705      5.317345      6.364893
  H      -5.128454      3.156285      8.352616
  H      -4.837911      4.339424      7.084842
  H      -2.825969      2.488907      8.480798
  H      -2.874553      4.259615      8.636843
  C      -2.262541     -0.153820      6.249768
  N      -3.266870      0.143357      5.402682
  C      -3.937368     -0.125460      4.257737
  O      -4.214339      0.978642      3.685575
  C      -4.320409     -1.452467      3.809685
  C      -4.769334     -1.679347      2.494526
  C      -5.084071     -2.978769      2.099014
  C      -4.968699     -4.046717      2.996174
  C      -4.540001     -3.801529      4.306391
  Br     -4.399585     -5.238930      5.542525
  C      -4.213044     -2.515592      4.724321
  C      -4.872947      4.479445      4.572830
  N      -5.251868      5.713694      4.713965
  C      -6.622272      5.932567      4.472244
  O      -7.262569      5.321447      3.620459
  C      -7.254749      6.962919      5.349258
  C      -8.627478      7.213528      5.211015
  C      -9.256929      8.128307      6.047881
  C      -8.531371      8.804321      7.031642
  C      -7.166475      8.544154      7.159286
  Br     -6.164358      9.457913      8.497186
  C      -6.515308      7.638136      6.331206
  C      -5.934331      1.886978      6.291202
  N      -6.929397      2.436012      6.918855
  C      -8.217333      1.976328      6.610196
  O      -8.488377      0.827859      6.249820
  C      -9.249424      3.047484      6.762065
  C      -9.013500      4.170987      7.570215
  C      -9.977005      5.173459      7.671839
  C     -11.167373      5.086473      6.945974
  C     -11.389570      3.962552      6.144137
  Br    -13.007057      3.851203      5.133788
  C     -10.456778      2.932266      6.055033
  H      -1.847900     -1.127542      6.539605
  H      -4.853308     -0.844291      1.798042
  H      -5.423683     -3.174923      1.079816
  H      -5.215293     -5.063291      2.682252
  H      -3.914241     -2.334976      5.756968
  H      -5.603145      3.683396      4.375197
  H      -9.187095      6.661899      4.454724
  H     -10.327284      8.319391      5.945635
  H      -9.020508      9.520041      7.689567
  H      -5.448493      7.450585      6.429703
  H      -6.091056      1.106805      5.534190
  H      -8.070720      4.246059      8.111852
  H      -9.794078      6.048499      8.298186
  H     -11.904175      5.889861      6.991514
  H     -10.634355      2.056334      5.431571
  N      -1.697667      2.194667      4.008795
  H      -1.344263      2.236668      3.048569
73
Coordinates from ORCA-job orca E -13783.462489833684
  N      -1.823249      1.009958      6.655897
  Mo     -2.922011      2.207452      5.263199
  N      -4.628865      2.311703      6.522405
  C      -4.459264      3.373494      7.527570
  C      -3.013525      3.415941      7.983998
  N      -2.051754      3.529049      6.821540
  C      -0.695664      3.018844      7.216940
  C      -0.766652      1.508473      7.503019
  C      -1.995449      4.958149      6.314809
  C      -2.487501      5.047588      4.866721
  N      -3.560793      4.072072      4.689504
  H       0.199008      1.031269      7.277739
  H      -1.004213      1.302285      8.557236
  H      -0.024761      3.212511      6.371374
  H      -0.334704      3.580498      8.089778
  H      -2.855538      6.062044      4.657576
  H      -1.672612      4.802204      4.168392
  H      -2.645178      5.558645      6.964553
  H      -0.966496      5.329603      6.413552
  H      -5.097688      3.155045      8.398368
  H      -4.804888      4.344324      7.134544
  H      -2.787920      2.485300      8.518816
  H      -2.830743      4.258598      8.667504
  C      -2.240132     -0.160677      6.245824
  N      -3.252189      0.135175      5.403853
  C      -3.961961     -0.113224      4.274161
  O      -4.246808      0.996937      3.713889
  C      -4.365324     -1.432284      3.818072
  C      -4.864157     -1.637810      2.515802
  C      -5.193142     -2.929795      2.108820
  C      -5.043800     -4.010895      2.981925
  C      -4.565184     -3.787466      4.280790
  Br     -4.377176     -5.243038      5.482600
  C      -4.222537     -2.510028      4.709391
  C      -4.845771      4.488120      4.581492
  N      -5.225579      5.723502      4.708683
  C      -6.591941      5.941972      4.440286
  O      -7.212694      5.330687      3.573368
  C      -7.244115      6.973741      5.301993
  C      -8.617993      7.216779      5.138266
  C      -9.267837      8.129771      5.963036
  C      -8.565584      8.805520      6.962919
  C      -7.197925      8.555480      7.114539
  Br     -6.226504      9.466554      8.477377
  C      -6.524152      7.655770      6.296512
  C      -5.903469      1.904117      6.318563
  N      -6.909453      2.447858      6.942887
  C      -8.189955      1.977445      6.615680
  O      -8.436305      0.835279      6.232722
  C      -9.241712      3.031223      6.772604
  C      -9.034361      4.147470      7.600607
  C     -10.018712      5.128737      7.707384
  C     -11.202783      5.026674      6.970446
  C     -11.393809      3.914828      6.148913
  Br    -13.001385      3.784724      5.126834
  C     -10.438560      2.907880      6.050889
  H      -1.826325     -1.136806      6.527616
  H      -4.975261     -0.793041      1.837327
  H      -5.570826     -3.110206      1.099022
  H      -5.301719     -5.020597      2.658364
  H      -3.879972     -2.345047      5.732752
  H      -5.573403      3.693250      4.370889
  H      -9.160421      6.664513      4.370683
  H     -10.339136      8.314098      5.842037
  H      -9.072835      9.514784      7.614814
  H      -5.455279      7.474465      6.415009
  H      -6.054854      1.126799      5.557586
  H      -8.100158      4.231375      8.154961
  H      -9.860412      5.996852      8.350393
  H     -11.959190      5.808819      7.023050
  H     -10.591327      2.042670      5.410423
  N      -1.678881      2.194554      4.024955
  H      -1.319703      2.244958      3.065154
73
Coordinates from ORCA-job orca E -13783.463107095866
  N      -1.786834      1.013139      6.672996
  Mo     -2.894755      2.201551      5.265684
  N      -4.600546      2.328556      6.542908
  C      -4.432650      3.392165      7.540649
  C      -2.986694      3.433559      7.999068
  N      -2.035810      3.539835      6.828201
  C      -0.671702      3.036734      7.209835
  C      -0.732106      1.529665      7.511367
  C      -1.989437      4.969049      6.315325
  C      -2.459428      5.043420      4.859830
  N      -3.529709      4.065085      4.682450
  H       0.237431      1.054958      7.292100
  H      -0.966511      1.334813      8.569887
  H      -0.013797      3.228971      6.353014
  H      -0.301329      3.606061      8.075051
  H      -2.824613      6.055993      4.634963
  H      -1.637485      4.791622      4.172384
  H      -2.665084      5.560797      6.945501
  H      -0.970013      5.359072      6.436171
  H      -5.079650      3.184845      8.408255
  H      -4.767544      4.364263      7.138956
  H      -2.758021      2.509512      8.541402
  H      -2.800457      4.283988      8.670228
  C      -2.203028     -0.158612      6.274956
  N      -3.211593      0.122041      5.421229
  C      -3.943481     -0.102488      4.300002
  O      -4.196357      1.018583      3.736992
  C      -4.390836     -1.403728      3.834505
  C      -4.900281     -1.572500      2.536099
  C      -5.274361     -2.847493      2.117569
  C      -5.165204     -3.948467      2.977241
  C      -4.677401     -3.762375      4.273630
  Br     -4.553370     -5.247538      5.456449
  C      -4.284741     -2.503154      4.711235
  C      -4.818935      4.474573      4.580455
  N      -5.208371      5.705339      4.704656
  C      -6.579690      5.915614      4.430502
  O      -7.188086      5.315052      3.549026
  C      -7.243499      6.935350      5.294524
  C      -8.616647      7.171378      5.126555
  C      -9.270970      8.085906      5.948131
  C      -8.573201      8.770179      6.949559
  C      -7.208324      8.521916      7.107726
  Br     -6.237541      9.450516      8.471188
  C      -6.531846      7.618728      6.293250
  C      -5.874146      1.926841      6.331653
  N      -6.883559      2.475575      6.946880
  C      -8.153738      1.992639      6.604685
  O      -8.374023      0.852113      6.210406
  C      -9.227095      3.023850      6.760799
  C      -9.048926      4.141619      7.594464
  C     -10.056786      5.096464      7.700533
  C     -11.233988      4.970137      6.957110
  C     -11.397273      3.854742      6.133338
  Br    -13.001245      3.681264      5.111621
  C     -10.418375      2.873229      6.035112
  H      -1.791138     -1.134371      6.562633
  H      -4.982211     -0.713070      1.868301
  H      -5.658353     -3.000675      1.110111
  H      -5.461788     -4.944083      2.645149
  H      -3.933872     -2.365524      5.731745
  H      -5.542880      3.674125      4.364475
  H      -9.151333      6.622949      4.353616
  H     -10.337518      8.272022      5.820607
  H      -9.080949      9.486968      7.597302
  H      -5.463323      7.442400      6.415224
  H      -6.021232      1.146126      5.566588
  H      -8.122857      4.243622      8.156796
  H      -9.925114      5.960201      8.352064
  H     -12.013106      5.727532      7.011737
  H     -10.551493      2.001527      5.394329
  N      -1.644801      2.178007      4.039256
  H      -1.277539      2.244812      3.082962
73
Coordinates from ORCA-job orca E -13783.463616371035
  N      -1.765459      1.014822      6.688992
  Mo     -2.875318      2.196234      5.272995
  N      -4.585667      2.338085      6.553286
  C      -4.415530      3.403813      7.548159
  C      -2.971974      3.436413      8.012688
  N      -2.025544      3.541576      6.841668
  C      -0.658536      3.042820      7.217692
  C      -0.714044      1.538615      7.525763
  C      -1.982079      4.970286      6.329968
  C      -2.432915      5.037372      4.869545
  N      -3.502605      4.061495      4.687616
  H       0.257313      1.066946      7.310704
  H      -0.948938      1.348506      8.584454
  H      -0.005966      3.234618      6.357192
  H      -0.283398      3.613140      8.080431
  H      -2.792910      6.048999      4.632544
  H      -1.603850      4.779075      4.193494
  H      -2.673052      5.556609      6.946814
  H      -0.969282      5.369572      6.467940
  H      -5.071346      3.209412      8.410649
  H      -4.734216      4.379196      7.138256
  H      -2.745812      2.512922      8.554570
  H      -2.782420      4.286581      8.682056
  C      -2.181747     -0.157544      6.297040
  N      -3.192034      0.112029      5.444375
  C      -3.946317     -0.095147      4.341140
  O      -4.227337      1.043135      3.820316
  C      -4.421644     -1.384019      3.863685
  C      -5.027500     -1.508246      2.597403
  C      -5.429563     -2.767970      2.154666
  C      -5.249352     -3.897653      2.958953
  C      -4.662531     -3.756647      4.225240
  Br     -4.437687     -5.282034      5.330231
  C      -4.243512     -2.513310      4.686159
  C      -4.790599      4.470518      4.581958
  N      -5.181757      5.699773      4.704082
  C      -6.547407      5.913575      4.414888
  O      -7.141827      5.316596      3.522003
  C      -7.219327      6.933611      5.272397
  C      -8.590179      7.163620      5.095791
  C      -9.251978      8.080945      5.910107
  C      -8.561653      8.776703      6.912597
  C      -7.200342      8.530739      7.081047
  Br     -6.244936      9.462525      8.452246
  C      -6.518312      7.622479      6.274455
  C      -5.859591      1.944919      6.340516
  N      -6.869978      2.497561      6.947330
  C      -8.136101      1.995077      6.606287
  O      -8.344469      0.849905      6.211365
  C      -9.224715      3.007196      6.755226
  C      -9.072526      4.127356      7.586158
  C     -10.101123      5.058194      7.686835
  C     -11.272863      4.906859      6.940183
  C     -11.411728      3.785098      6.120549
  Br    -13.012306      3.567654      5.099164
  C     -10.412436      2.825041      6.029096
  H      -1.773706     -1.134722      6.588261
  H      -5.163797     -0.625427      1.972560
  H      -5.890419     -2.886332      1.170740
  H      -5.566155     -4.881058      2.607410
  H      -3.812850     -2.410172      5.684209
  H      -5.513566      3.669799      4.363224
  H      -9.121290      6.603669      4.322528
  H     -10.318783      8.260116      5.777066
  H      -9.075325      9.495252      7.555269
  H      -5.453784      7.447005      6.404762
  H      -6.004434      1.161083      5.580951
  H      -8.151286      4.249850      8.152353
  H      -9.991063      5.921368      8.339489
  H     -12.072053      5.643070      6.993720
  H     -10.529369      1.941974      5.395816
  N      -1.620797      2.166035      4.047837
  H      -1.245568      2.240359      3.094039
73
Coordinates from ORCA-job orca E -13783.464013192270
  N      -1.751328      1.015111      6.670917
  Mo     -2.881080      2.198980      5.279216
  N      -4.573130      2.333304      6.583367
  C      -4.392114      3.387905      7.589592
  C      -2.945380      3.411437      8.036693
  N      -2.018829      3.536295      6.856136
  C      -0.644966      3.042003      7.203972
  C      -0.690643      1.534108      7.498217
  C      -1.989227      4.971004      6.363881
  C      -2.436615      5.045620      4.902851
  N      -3.507793      4.071884      4.718822
  H       0.278210      1.070258      7.263079
  H      -0.909487      1.331669      8.557177
  H      -0.007790      3.244956      6.334780
  H      -0.256884      3.603580      8.067120
  H      -2.795193      6.057947      4.666359
  H      -1.606612      4.788394      4.227145
  H      -2.689739      5.541984      6.984337
  H      -0.982742      5.382051      6.511333
  H      -5.040304      3.191173      8.454905
  H      -4.707157      4.368350      7.190107
  H      -2.711726      2.479436      8.560361
  H      -2.745998      4.251413      8.717437
  C      -2.165424     -0.157286      6.274208
  N      -3.180846      0.103605      5.430168
  C      -3.942617     -0.107823      4.336419
  O      -4.224764      1.019669      3.799661
  C      -4.419262     -1.397120      3.866253
  C      -5.053577     -1.508485      2.614543
  C      -5.475098     -2.761378      2.173342
  C      -5.281672     -3.897234      2.964488
  C      -4.662398     -3.769098      4.215283
  Br     -4.419849     -5.305346      5.301022
  C      -4.225896     -2.532046      4.675027
  C      -4.793384      4.479509      4.600938
  N      -5.182041      5.711008      4.713312
  C      -6.536943      5.931940      4.402711
  O      -7.119502      5.329772      3.503984
  C      -7.216745      6.955856      5.247651
  C      -8.584203      7.186510      5.055355
  C      -9.256927      8.099187      5.862318
  C      -8.580440      8.789705      6.873944
  C      -7.220155      8.547434      7.056280
  Br     -6.286066      9.466425      8.443952
  C      -6.526760      7.645085      6.255959
  C      -5.853666      1.951775      6.367411
  N      -6.866985      2.500018      6.973367
  C      -8.133138      1.995361      6.618831
  O      -8.343758      0.848944      6.212102
  C      -9.223549      3.003024      6.762970
  C      -9.084822      4.121428      7.597865
  C     -10.119329      5.048343      7.692665
  C     -11.286125      4.889234      6.939101
  C     -11.409150      3.771595      6.111302
  Br    -12.993208      3.558416      5.067948
  C     -10.402988      2.817110      6.024863
  H      -1.752061     -1.136066      6.552262
  H      -5.201978     -0.619148      2.002296
  H      -5.962403     -2.868675      1.201681
  H      -5.614571     -4.876154      2.615111
  H      -3.770570     -2.439136      5.662135
  H      -5.516222      3.678316      4.386090
  H      -9.107964      6.625645      4.277398
  H     -10.324478      8.273957      5.719033
  H      -9.104376      9.500647      7.512257
  H      -5.463955      7.470746      6.397819
  H      -5.999276      1.178036      5.606331
  H      -8.165486      4.252909      8.169775
  H     -10.016423      5.916567      8.347632
  H     -12.091931      5.622115      6.990578
  H     -10.504833      1.942556      5.384310
  N      -1.644899      2.182069      4.034774
  H      -1.253928      2.279134      3.088667
73
Coordinates from ORCA-job orca E -13783.464423294119
  N      -1.738161      1.021292      6.687601
  Mo     -2.867520      2.191252      5.284947
  N      -4.561143      2.336211      6.587614
  C      -4.386057      3.401106      7.585695
  C      -2.941693      3.425797      8.037035
  N      -2.010982      3.544070      6.858152
  C      -0.637083      3.053077      7.213065
  C      -0.683007      1.546605      7.518895
  C      -1.982583      4.974962      6.355151
  C      -2.417472      5.036110      4.889165
  N      -3.489330      4.062917      4.707758
  H       0.288254      1.081499      7.292412
  H      -0.908972      1.351116      8.578111
  H       0.003040      3.248048      6.343532
  H      -0.250211      3.620582      8.073086
  H      -2.771447      6.046516      4.637546
  H      -1.581705      4.769268      4.224037
  H      -2.691107      5.548379      6.965318
  H      -0.979016      5.391972      6.508901
  H      -5.040246      3.216719      8.449418
  H      -4.695062      4.376857      7.173089
  H      -2.711034      2.494000      8.565799
  H      -2.743358      4.267424      8.717271
  C      -2.150987     -0.155584      6.299675
  N      -3.164129      0.098087      5.452745
  C      -3.936621     -0.098290      4.365803
  O      -4.209253      1.039902      3.839175
  C      -4.432080     -1.374804      3.886265
  C      -5.120051     -1.453925      2.660238
  C      -5.570863     -2.692769      2.211130
  C      -5.351879     -3.845978      2.968911
  C      -4.676152     -3.750109      4.193319
  Br     -4.397591     -5.311235      5.232061
  C      -4.210573     -2.527178      4.660664
  C      -4.775646      4.468503      4.584147
  N      -5.167584      5.700590      4.695870
  C      -6.526668      5.914490      4.390844
  O      -7.110699      5.317080      3.487759
  C      -7.211850      6.924517      5.246891
  C      -8.582222      7.148189      5.061211
  C      -9.258430      8.049429      5.876371
  C      -8.584207      8.733932      6.889921
  C      -7.219005      8.503495      7.063711
  Br     -6.278385      9.434617      8.446005
  C      -6.520954      7.613760      6.254735
  C      -5.840961      1.953990      6.371287
  N      -6.857673      2.508228      6.968083
  C      -8.116656      2.001137      6.604898
  O      -8.317644      0.852003      6.204659
  C      -9.213902      3.005290      6.741364
  C      -9.085241      4.136408      7.564673
  C     -10.130859      5.052369      7.657596
  C     -11.300082      4.867826      6.914411
  C     -11.409724      3.743502      6.092716
  Br    -12.994121      3.502092      5.058137
  C     -10.391129      2.801811      6.007503
  H      -1.741049     -1.133732      6.585779
  H      -5.289639     -0.550443      2.076001
  H      -6.102498     -2.775029      1.260801
  H      -5.708966     -4.814170      2.614347
  H      -3.709434     -2.459327      5.627400
  H      -5.496522      3.663776      4.375040
  H      -9.099407      6.600914      4.278383
  H     -10.324354      8.224242      5.735269
  H      -9.109220      9.439814      7.532474
  H      -5.451849      7.452662      6.388166
  H      -5.983571      1.172135      5.611975
  H      -8.165484      4.285300      8.130374
  H     -10.036924      5.926606      8.306367
  H     -12.115836      5.589907      6.966970
  H     -10.481161      1.924407      5.371769
  N      -1.624564      2.175541      4.047875
  H      -1.222977      2.287763      3.105830
73
Coordinates from ORCA-job orca E -13783.464745302730
  N      -1.728591      1.025233      6.696557
  Mo     -2.858323      2.183017      5.288688
  N      -4.557589      2.331887      6.586984
  C      -4.386577      3.402850      7.582230
  C      -2.943800      3.425908      8.037520
  N      -2.006751      3.546220      6.861453
  C      -0.632883      3.058965      7.223861
  C      -0.677108      1.552135      7.532451
  C      -1.982458      4.975285      6.354886
  C      -2.410523      5.030926      4.887381
  N      -3.479871      4.056312      4.706538
  H       0.296041      1.088074      7.308415
  H      -0.907225      1.356996      8.591039
  H       0.011512      3.250570      6.356421
  H      -0.249332      3.628173      8.084149
  H      -2.763799      6.039252      4.628561
  H      -1.570543      4.761905      4.228922
  H      -2.696113      5.547283      6.961083
  H      -0.981520      5.398580      6.512402
  H      -5.046052      3.226555      8.444247
  H      -4.690692      4.375371      7.159774
  H      -2.716836      2.489892      8.562970
  H      -2.746694      4.262432      8.725218
  C      -2.140307     -0.155610      6.315661
  N      -3.152684      0.091894      5.466433
  C      -3.930633     -0.097649      4.381223
  O      -4.207054      1.043477      3.860652
  C      -4.431858     -1.367242      3.894680
  C      -5.155391     -1.419484      2.688799
  C      -5.621171     -2.646943      2.231558
  C      -5.383716     -3.816027      2.963173
  C      -4.672272     -3.747820      4.167127
  Br     -4.369519     -5.333116      5.168977
  C      -4.190258     -2.535677      4.641800
  C      -4.767514      4.457779      4.578860
  N      -5.160580      5.691181      4.688385
  C      -6.519723      5.903444      4.382689
  O      -7.103338      5.309834      3.476359
  C      -7.206375      6.913916      5.238769
  C      -8.578256      7.136230      5.050805
  C      -9.254651      8.042352      5.861938
  C      -8.581375      8.729458      6.874921
  C      -7.218104      8.494359      7.053645
  Br     -6.284635      9.419371      8.440749
  C      -6.518212      7.602785      6.247710
  C      -5.837442      1.953671      6.370434
  N      -6.853477      2.511621      6.965055
  C      -8.110717      2.008473      6.595326
  O      -8.311414      0.861928      6.195923
  C      -9.208916      3.012571      6.730619
  C      -9.080838      4.152479      7.542460
  C     -10.134503      5.057608      7.644909
  C     -11.309845      4.856564      6.920588
  C     -11.417968      3.724770      6.105205
  Br    -13.015613      3.452932      5.097303
  C     -10.392119      2.791920      6.012293
  H      -1.734457     -1.134205      6.608198
  H      -5.338925     -0.502812      2.127177
  H      -6.180370     -2.707559      1.297614
  H      -5.754200     -4.775707      2.604391
  H      -3.658416     -2.490558      5.592170
  H      -5.486494      3.651433      4.375722
  H      -9.097132      6.581293      4.269565
  H     -10.322374      8.215229      5.718847
  H      -9.107775      9.436892      7.515064
  H      -5.451269      7.438554      6.385413
  H      -5.981569      1.171469      5.607846
  H      -8.158339      4.311645      8.095433
  H     -10.042556      5.932813      8.289074
  H     -12.133042      5.566962      6.985744
  H     -10.484071      1.900358      5.387574
  N      -1.608679      2.177200      4.058063
  H      -1.187302      2.289643      3.126525
73
Coordinates from ORCA-job orca E -13783.465006916816
  N      -1.721626      1.029598      6.706126
  Mo     -2.852600      2.177344      5.298130
  N      -4.549030      2.337850      6.598379
  C      -4.376710      3.416155      7.586648
  C      -2.933492      3.434126      8.040855
  N      -1.994570      3.550384      6.865495
  C      -0.622906      3.063001      7.232123
  C      -0.668676      1.555319      7.541868
  C      -1.971204      4.976337      6.353260
  C      -2.400733      5.027739      4.886633
  N      -3.469815      4.052872      4.709111
  H       0.303051      1.090699      7.314874
  H      -0.898559      1.359716      8.599984
  H       0.023650      3.250339      6.365887
  H      -0.240325      3.633922      8.091197
  H      -2.753637      6.034793      4.624442
  H      -1.560143      4.756825      4.229971
  H      -2.682709      5.550939      6.959709
  H      -0.969936      5.401628      6.506364
  H      -5.036872      3.247666      8.449844
  H      -4.678554      4.385500      7.154548
  H      -2.712203      2.495055      8.563198
  H      -2.732305      4.266648      8.732862
  C      -2.134097     -0.155610      6.334364
  N      -3.147548      0.087177      5.484338
  C      -3.929273     -0.098238      4.398052
  O      -4.205644      1.048090      3.881874
  C      -4.441461     -1.362408      3.903918
  C      -5.219537     -1.387485      2.731265
  C      -5.707490     -2.603947      2.267166
  C      -5.434068     -3.789634      2.958381
  C      -4.665250     -3.749365      4.127210
  Br     -4.307082     -5.357452      5.070849
  C      -4.164082     -2.547786      4.610441
  C      -4.758281      4.452333      4.581912
  N      -5.153056      5.684828      4.690638
  C      -6.513991      5.890094      4.387539
  O      -7.098065      5.296276      3.481729
  C      -7.203441      6.900806      5.243179
  C      -8.575791      7.120317      5.053017
  C      -9.253700      8.030980      5.859047
  C      -8.579685      8.728812      6.867353
  C      -7.216587      8.494806      7.049156
  Br     -6.283371      9.433745      8.430212
  C      -6.517040      7.595406      6.250110
  C      -5.828459      1.957241      6.381735
  N      -6.845768      2.517479      6.967151
  C      -8.101483      2.009293      6.594255
  O      -8.297256      0.860877      6.201790
  C      -9.204872      3.007319      6.714886
  C      -9.081470      4.158924      7.506832
  C     -10.144926      5.054184      7.604259
  C     -11.325859      4.829700      6.894802
  C     -11.427763      3.687962      6.093695
  Br    -13.029808      3.389793      5.098863
  C     -10.391855      2.766187      6.005802
  H      -1.731886     -1.133955      6.632571
  H      -5.429781     -0.457524      2.203031
  H      -6.311534     -2.641564      1.360515
  H      -5.820888     -4.741514      2.595249
  H      -3.584691     -2.526926      5.533196
  H      -5.476854      3.645199      4.387480
  H      -9.092726      6.560414      4.273493
  H     -10.321194      8.202607      5.712826
  H      -9.105996      9.443392      7.501155
  H      -5.450465      7.432888      6.389639
  H      -5.975272      1.171658      5.627181
  H      -8.153853      4.337470      8.048041
  H     -10.053905      5.943838      8.231557
  H     -12.155720      5.533195      6.958618
  H     -10.477262      1.869026      5.393049
  N      -1.598528      2.176355      4.074124
  H      -1.144656      2.317796      3.162148
73
Coordinates from ORCA-job orca E -13783.465190110035
  N      -1.714177      1.036003      6.714684
  Mo     -2.848416      2.174032      5.308854
  N      -4.545885      2.331731      6.605585
  C      -4.374865      3.408437      7.597377
  C      -2.931490      3.429157      8.049933
  N      -1.991261      3.551856      6.876142
  C      -0.620984      3.069767      7.248398
  C      -0.661669      1.560898      7.552560
  C      -1.974086      4.975650      6.363000
  C      -2.408202      5.027715      4.897919
  N      -3.472253      4.048473      4.719134
  H       0.310180      1.099896      7.321450
  H      -0.890461      1.360240      8.609936
  H       0.028148      3.259799      6.385773
  H      -0.244389      3.641204      8.109978
  H      -2.765776      6.033903      4.638789
  H      -1.566635      4.762179      4.240357
  H      -2.682473      5.549498      6.972870
  H      -0.973249      5.403810      6.509675
  H      -5.032087      3.233804      8.461229
  H      -4.682823      4.376326      7.165018
  H      -2.710523      2.486357      8.563383
  H      -2.730489      4.254631      8.749857
  C      -2.124466     -0.151964      6.350575
  N      -3.138435      0.084858      5.497309
  C      -3.919000     -0.099655      4.409881
  O      -4.189798      1.046446      3.891629
  C      -4.437212     -1.357950      3.907268
  C      -5.272419     -1.355083      2.774514
  C      -5.784735     -2.559511      2.305041
  C      -5.472725     -3.761933      2.949042
  C      -4.641801     -3.750772      4.074498
  Br     -4.224725     -5.382689      4.950731
  C      -4.120544     -2.560400      4.566262
  C      -4.760589      4.445629      4.585684
  N      -5.152171      5.679891      4.686831
  C      -6.505472      5.895557      4.373275
  O      -7.087624      5.304416      3.465717
  C      -7.192199      6.913750      5.224586
  C      -8.559568      7.144471      5.026816
  C      -9.234875      8.061604      5.827645
  C      -8.561222      8.758273      6.836093
  C      -7.200111      8.517768      7.023418
  Br     -6.263117      9.463931      8.399805
  C      -6.504744      7.608896      6.231449
  C      -5.824168      1.949443      6.385438
  N      -6.846654      2.502071      6.976386
  C      -8.103536      1.989480      6.602910
  O      -8.298470      0.836954      6.214905
  C      -9.209728      2.985102      6.712646
  C      -9.083006      4.150239      7.482674
  C     -10.153663      5.036804      7.583295
  C     -11.343660      4.792417      6.896129
  C     -11.446847      3.639831      6.110455
  Br    -13.061595      3.313530      5.143612
  C     -10.404953      2.725717      6.021035
  H      -1.725589     -1.128258      6.657120
  H      -5.512125     -0.411392      2.285551
  H      -6.438100     -2.572452      1.432176
  H      -5.877667     -4.705795      2.582684
  H      -3.490857     -2.565622      5.455387
  H      -5.479036      3.638914      4.393665
  H      -9.074076      6.587969      4.246097
  H     -10.298487      8.241718      5.674897
  H      -9.085050      9.480484      7.463343
  H      -5.438970      7.441905      6.374462
  H      -5.972460      1.168815      5.627368
  H      -8.148830      4.343114      8.007447
  H     -10.061727      5.933012      8.196396
  H     -12.179381      5.487431      6.967021
  H     -10.492268      1.818182      5.424122
  N      -1.584725      2.183064      4.092083
  H      -1.106124      2.293941      3.191929
73
Coordinates from ORCA-job orca E -13783.465378990006
  N      -1.710035      1.032656      6.714208
  Mo     -2.851165      2.173653      5.318744
  N      -4.537471      2.333748      6.629490
  C      -4.363707      3.404495      7.623253
  C      -2.916448      3.427647      8.065030
  N      -1.985220      3.549342      6.883934
  C      -0.613601      3.066763      7.247679
  C      -0.650383      1.556286      7.544681
  C      -1.972453      4.973860      6.371457
  C      -2.414507      5.029567      4.908218
  N      -3.477145      4.048313      4.731547
  H       0.319578      1.096784      7.302333
  H      -0.869199      1.350246      8.603488
  H       0.031552      3.262302      6.383191
  H      -0.236089      3.636972      8.109267
  H      -2.774519      6.037258      4.655851
  H      -1.576346      4.766896      4.243855
  H      -2.678325      5.546312      6.985752
  H      -0.970905      5.402499      6.511945
  H      -5.011541      3.218098      8.492351
  H      -4.684012      4.372770      7.199709
  H      -2.692128      2.485303      8.577097
  H      -2.710293      4.254453      8.761304
  C      -2.119652     -0.154527      6.350172
  N      -3.139660      0.081607      5.499795
  C      -3.927864     -0.102609      4.418177
  O      -4.203461      1.043004      3.904335
  C      -4.447695     -1.358489      3.911621
  C      -5.319568     -1.343031      2.807681
  C      -5.841920     -2.541753      2.335082
  C      -5.500250     -3.751967      2.945548
  C      -4.629056     -3.754453      4.039728
  Br     -4.165199     -5.397856      4.867048
  C      -4.099923     -2.569109      4.536706
  C      -4.765543      4.443062      4.596534
  N      -5.161265      5.676243      4.687889
  C      -6.514912      5.889424      4.371797
  O      -7.098864      5.290114      3.470544
  C      -7.200784      6.914871      5.215546
  C      -8.569144      7.145078      5.015805
  C      -9.244382      8.065031      5.812790
  C      -8.569890      8.764171      6.819261
  C      -7.209839      8.519989      7.010164
  Br     -6.280771      9.450133      8.391468
  C      -6.513358      7.610714      6.221571
  C      -5.813556      1.949822      6.401302
  N      -6.837616      2.500949      6.989180
  C      -8.091030      1.990337      6.604666
  O      -8.278437      0.832551      6.220126
  C      -9.200329      2.983609      6.702497
  C      -9.070171      4.160373      7.454685
  C     -10.140740      5.050435      7.546857
  C     -11.334110      4.796824      6.868798
  C     -11.440945      3.630622      6.101232
  Br    -13.060675      3.291044      5.148413
  C     -10.399389      2.714578      6.019824
  H      -1.719945     -1.129056      6.657505
  H      -5.582477     -0.392803      2.345680
  H      -6.526299     -2.542742      1.486038
  H      -5.912174     -4.692251      2.576480
  H      -3.436572     -2.587407      5.400475
  H      -5.481961      3.634162      4.402433
  H      -9.088076      6.579184      4.239432
  H     -10.310615      8.241868      5.660171
  H      -9.095833      9.484609      7.445164
  H      -5.450250      7.436952      6.369601
  H      -5.963093      1.170902      5.640104
  H      -8.133028      4.360154      7.972267
  H     -10.047773      5.955053      8.145920
  H     -12.170069      5.494011      6.933627
  H     -10.489627      1.797371      5.436971
  N      -1.576685      2.193321      4.115912
  H      -1.054333      2.327177      3.242191
73
Coordinates from ORCA-job orca E -13783.465550371420
  N      -1.726341      1.023264      6.734046
  Mo     -2.856240      2.167103      5.327220
  N      -4.544147      2.336978      6.637335
  C      -4.372843      3.414947      7.620561
  C      -2.926552      3.442016      8.065386
  N      -1.992669      3.545805      6.883890
  C      -0.624806      3.058956      7.258174
  C      -0.670039      1.550631      7.566111
  C      -1.969078      4.967645      6.360651
  C      -2.413230      5.017920      4.896842
  N      -3.477011      4.037774      4.723345
  H       0.300288      1.084176      7.333260
  H      -0.894758      1.353056      8.626273
  H       0.027865      3.247988      6.396285
  H      -0.251319      3.633356      8.118635
  H      -2.769549      6.027087      4.643175
  H      -1.577309      4.749831      4.231027
  H      -2.670211      5.550188      6.971062
  H      -0.963455      5.387486      6.496083
  H      -5.020117      3.231479      8.491493
  H      -4.696887      4.380471      7.193484
  H      -2.705034      2.506470      8.591928
  H      -2.721127      4.280228      8.747764
  C      -2.139700     -0.161110      6.372825
  N      -3.153273      0.080287      5.512778
  C      -3.934952     -0.096733      4.426729
  O      -4.198145      1.056316      3.919459
  C      -4.452510     -1.346991      3.905543
  C      -5.315199     -1.322436      2.794017
  C      -5.822386     -2.518312      2.301286
  C      -5.477322     -3.735008      2.900061
  C      -4.616665     -3.747066      4.003135
  Br     -4.146354     -5.399311      4.814410
  C      -4.101771     -2.564575      4.519219
  C      -4.762288      4.435878      4.584083
  N      -5.156973      5.669842      4.670662
  C      -6.508841      5.888865      4.353206
  O      -7.096044      5.283355      3.458192
  C      -7.189836      6.922963      5.190461
  C      -8.557597      7.158626      4.989647
  C      -9.228889      8.085517      5.782773
  C      -8.552944      8.783215      6.787501
  C      -7.193016      8.534530      6.979015
  Br     -6.258279      9.469503      8.353740
  C      -6.499486      7.619551      6.193720
  C      -5.818483      1.947615      6.412287
  N      -6.842360      2.501384      6.996421
  C      -8.097111      1.980083      6.626311
  O      -8.282202      0.820952      6.246724
  C      -9.210837      2.965676      6.733854
  C      -9.073884      4.148967      7.475405
  C     -10.143586      5.038595      7.572219
  C     -11.344907      4.775046      6.911193
  C     -11.458648      3.602013      6.156868
  Br    -13.088273      3.251570      5.228675
  C     -10.417255      2.687823      6.070482
  H      -1.745252     -1.134902      6.690986
  H      -5.579045     -0.367141      2.338954
  H      -6.496791     -2.512293      1.444481
  H      -5.876127     -4.672555      2.514125
  H      -3.443453     -2.590841      5.387293
  H      -5.479849      3.628131      4.382960
  H      -9.079204      6.591050      4.215822
  H     -10.295850      8.265179      5.630767
  H      -9.076558      9.507014      7.411717
  H      -5.436010      7.441526      6.342389
  H      -5.963526      1.160083      5.662498
  H      -8.130402      4.356234      7.978291
  H     -10.042681      5.956917      8.157316
  H     -12.181502      5.470522      6.978347
  H     -10.512966      1.766396      5.496416
  N      -1.563974      2.177460      4.142925
  H      -1.015397      2.323254      3.288981
73
Coordinates from ORCA-job orca E -13783.465722178309
  N      -1.734845      1.009373      6.729864
  Mo     -2.863079      2.167522      5.328209
  N      -4.545659      2.332806      6.646432
  C      -4.377084      3.403892      7.633128
  C      -2.929732      3.435108      8.073632
  N      -2.001067      3.534937      6.887710
  C      -0.632032      3.044402      7.258025
  C      -0.676956      1.535413      7.559298
  C      -1.971380      4.960156      6.368770
  C      -2.427076      5.019422      4.908180
  N      -3.489569      4.037233      4.735415
  H       0.292597      1.070254      7.321806
  H      -0.895366      1.332728      8.619127
  H       0.020696      3.241974      6.397561
  H      -0.259451      3.613543      8.122243
  H      -2.788560      6.029683      4.667788
  H      -1.597965      4.760546      4.231196
  H      -2.664935      5.544532      6.986190
  H      -0.961569      5.371011      6.498380
  H      -5.019113      3.212471      8.506468
  H      -4.706930      4.371708      7.216656
  H      -2.702820      2.504015      8.606949
  H      -2.723429      4.281743      8.745138
  C      -2.147916     -0.168546      6.357132
  N      -3.160744      0.079284      5.496101
  C      -3.935569     -0.100720      4.404845
  O      -4.216376      1.052592      3.906905
  C      -4.440959     -1.355224      3.884450
  C      -5.301961     -1.339766      2.772984
  C      -5.796715     -2.540572      2.280135
  C      -5.443440     -3.753587      2.879173
  C      -4.585399     -3.756574      3.983537
  Br     -4.107926     -5.404689      4.799007
  C      -4.081290     -2.568932      4.498383
  C      -4.776042      4.433307      4.600851
  N      -5.174511      5.664712      4.683039
  C      -6.531513      5.875570      4.367973
  O      -7.120385      5.254140      3.484080
  C      -7.210830      6.921299      5.189203
  C      -8.575082      7.166181      4.976619
  C      -9.244373      8.105704      5.756408
  C      -8.569517      8.807853      6.758940
  C      -7.212328      8.550924      6.962159
  Br     -6.268953      9.510761      8.324813
  C      -6.522064      7.620990      6.190616
  C      -5.821462      1.942919      6.423052
  N      -6.842382      2.494834      7.012968
  C      -8.098512      1.980640      6.642374
  O      -8.286174      0.825938      6.258592
  C      -9.205409      2.974810      6.752581
  C      -9.054999      4.164516      7.482415
  C     -10.115054      5.065497      7.574138
  C     -11.321886      4.805044      6.921510
  C     -11.450256      3.624262      6.183805
  Br    -13.090298      3.274928      5.272980
  C     -10.417741      2.699073      6.102357
  H      -1.754172     -1.143367      6.674678
  H      -5.574814     -0.387600      2.317635
  H      -6.469301     -2.541799      1.423237
  H      -5.834277     -4.694607      2.493254
  H      -3.426628     -2.588772      5.368125
  H      -5.493885      3.621667      4.399760
  H      -9.091715      6.604223      4.201465
  H     -10.305759      8.297763      5.593263
  H      -9.088855      9.546358      7.370763
  H      -5.459798      7.436933      6.347150
  H      -5.965186      1.160428      5.667507
  H      -8.107905      4.366926      7.979521
  H     -10.004223      5.990316      8.147990
  H     -12.153046      5.508530      6.982066
  H     -10.525079      1.772320      5.538998
  N      -1.558407      2.185214      4.158988
  H      -0.976732      2.321348      3.324508
73
Coordinates from ORCA-job orca E -13783.465916888614
  N      -1.744116      1.005175      6.742235
  Mo     -2.864992      2.162955      5.331936
  N      -4.542092      2.334578      6.654789
  C      -4.378073      3.410037      7.637901
  C      -2.932474      3.443386      8.077255
  N      -2.005254      3.533555      6.891164
  C      -0.638707      3.040308      7.267739
  C      -0.689761      1.532589      7.575109
  C      -1.968261      4.955785      6.364810
  C      -2.424696      5.011468      4.903564
  N      -3.488235      4.030237      4.730207
  H       0.279430      1.064761      7.344074
  H      -0.913127      1.334053      8.634087
  H       0.017560      3.233312      6.410029
  H      -0.267124      3.610745      8.131737
  H      -2.786718      6.020634      4.660818
  H      -1.595260      4.752149      4.228152
  H      -2.656704      5.547293      6.980550
  H      -0.955703      5.360309      6.491247
  H      -5.020466      3.224567      8.511875
  H      -4.705584      4.376883      7.217408
  H      -2.704861      2.516734      8.617000
  H      -2.724470      4.294801      8.741951
  C      -2.157079     -0.172968      6.368453
  N      -3.162954      0.076037      5.501313
  C      -3.931269     -0.097090      4.405451
  O      -4.198705      1.059994      3.905670
  C      -4.439703     -1.345683      3.875795
  C      -5.316564     -1.317659      2.776100
  C      -5.819421     -2.513713      2.276558
  C      -5.455730     -3.733733      2.854713
  C      -4.580998     -3.748516      3.946695
  Br     -4.088793     -5.404627      4.733568
  C      -4.070646     -2.566342      4.469418
  C      -4.774744      4.428034      4.594466
  N      -5.171900      5.659848      4.675630
  C      -6.529736      5.867415      4.361656
  O      -7.118191      5.241762      3.480831
  C      -7.208084      6.918251      5.176351
  C      -8.570943      7.165809      4.959988
  C      -9.239308      8.110165      5.734618
  C      -8.564301      8.815972      6.735044
  C      -7.208105      8.557355      6.941430
  Br     -6.267566      9.517580      8.303118
  C      -6.518791      7.622355      6.175159
  C      -5.817861      1.939601      6.436298
  N      -6.839436      2.493417      7.024856
  C      -8.095132      1.974295      6.662250
  O      -8.282904      0.817070      6.287276
  C      -9.202322      2.970241      6.768581
  C      -9.049255      4.174032      7.476443
  C     -10.112231      5.070259      7.563745
  C     -11.324566      4.793685      6.927289
  C     -11.457023      3.598138      6.213318
  Br    -13.109205      3.218794      5.331377
  C     -10.420796      2.676499      6.137269
  H      -1.767180     -1.147212      6.693344
  H      -5.598166     -0.360760      2.337675
  H      -6.506413     -2.505592      1.430496
  H      -5.852303     -4.670879      2.462930
  H      -3.403087     -2.596087      5.329555
  H      -5.493083      3.617522      4.396601
  H      -9.086976      6.602736      4.185822
  H     -10.299209      8.304868      5.568632
  H      -9.082867      9.557890      7.342981
  H      -5.457504      7.436447      6.334206
  H      -5.959232      1.150377      5.683849
  H      -8.099383      4.386253      7.963202
  H     -10.003432      5.995224      8.126456
  H     -12.159393      5.491071      6.985911
  H     -10.531044      1.737749      5.592721
  N      -1.541447      2.185122      4.182869
  H      -0.918502      2.330193      3.377583
73
Coordinates from ORCA-job orca E -13783.466124810302
  N      -1.752698      1.003186      6.756154
  Mo     -2.863601      2.162125      5.334013
  N      -4.534981      2.336365      6.663211
  C      -4.376664      3.418134      7.643353
  C      -2.930971      3.455723      8.082058
  N      -2.005050      3.535157      6.894461
  C      -0.641149      3.036929      7.276905
  C      -0.701958      1.530490      7.592916
  C      -1.959544      4.953187      6.358201
  C      -2.419721      5.006248      4.897321
  N      -3.484233      4.024897      4.725574
  H       0.266795      1.056685      7.371482
  H      -0.933827      1.338962      8.651922
  H       0.018430      3.222201      6.420887
  H      -0.268318      3.608770      8.140199
  H      -2.784926      6.013837      4.653520
  H      -1.590831      4.748951      4.221292
  H      -2.640236      5.553529      6.973431
  H      -0.943423      5.350246      6.479175
  H      -5.021904      3.241910      8.516799
  H      -4.698955      4.383063      7.214258
  H      -2.701934      2.534255      8.629231
  H      -2.720441      4.312039      8.739485
  C      -2.168003     -0.174610      6.381817
  N      -3.165664      0.076059      5.507451
  C      -3.930505     -0.086950      4.409470
  O      -4.188731      1.073908      3.911685
  C      -4.444512     -1.328050      3.870460
  C      -5.338386     -1.283228      2.784934
  C      -5.851621     -2.472154      2.279021
  C      -5.479296     -3.700782      2.834042
  C      -4.587659     -3.731517      3.911469
  Br     -4.084471     -5.398649      4.666877
  C      -4.068378     -2.557415      4.441633
  C      -4.772795      4.423178      4.589491
  N      -5.168339      5.656135      4.669121
  C      -6.528639      5.857244      4.358737
  O      -7.115686      5.228810      3.480902
  C      -7.207829      6.909851      5.168359
  C      -8.569319      7.159676      4.947105
  C      -9.235946      8.110146      5.715101
  C      -8.560190      8.820610      6.713339
  C      -7.207064      8.557389      6.925752
  Br     -6.272862      9.512946      8.289914
  C      -6.518836      7.617313      6.165743
  C      -5.808336      1.934439      6.445487
  N      -6.833345      2.488346      7.030146
  C      -8.086791      1.963971      6.673507
  O      -8.273843      0.801841      6.307893
  C      -9.197651      2.954733      6.780999
  C      -9.040215      4.175967      7.456117
  C     -10.104512      5.070578      7.534207
  C     -11.325361      4.771557      6.925040
  C     -11.465043      3.556221      6.247727
  Br    -13.127572      3.150795      5.400734
  C     -10.424307      2.639505      6.177592
  H      -1.787402     -1.148677      6.718007
  H      -5.626643     -0.320370      2.364894
  H      -6.553450     -2.451694      1.445652
  H      -5.883336     -4.632120      2.436628
  H      -3.386574     -2.600149      5.289703
  H      -5.491704      3.612089      4.401745
  H      -9.087591      6.590598      4.174960
  H     -10.294314      8.307303      5.545397
  H      -9.077784      9.566503      7.316450
  H      -5.459915      7.428214      6.328969
  H      -5.945663      1.138935      5.695386
  H      -8.082025      4.408531      7.919947
  H      -9.988653      6.015325      8.067063
  H     -12.159521      5.471735      6.973586
  H     -10.536763      1.690520      5.656901
  N      -1.517637      2.183503      4.210707
  H      -0.852353      2.312517      3.437479
73
Coordinates from ORCA-job orca E -13783.466347230236
  N      -1.773654      0.997465      6.766211
  Mo     -2.868993      2.164580      5.334159
  N      -4.531131      2.340503      6.674640
  C      -4.372193      3.429859      7.649262
  C      -2.926125      3.465977      8.085952
  N      -2.001831      3.532614      6.896108
  C      -0.643467      3.022587      7.282440
  C      -0.722562      1.518241      7.605054
  C      -1.943171      4.946865      6.352738
  C      -2.411205      5.002990      4.894410
  N      -3.479563      4.025109      4.724616
  H       0.242585      1.034028      7.392447
  H      -0.963082      1.335011      8.663368
  H       0.019682      3.196107      6.427283
  H      -0.264769      3.592657      8.144143
  H      -2.776198      6.011120      4.652790
  H      -1.585363      4.745565      4.214492
  H      -2.611581      5.557580      6.971035
  H      -0.921603      5.332364      6.465852
  H      -5.021018      3.266338      8.522074
  H      -4.685945      4.392859      7.208877
  H      -2.699456      2.548105      8.639413
  H      -2.710076      4.325201      8.737790
  C      -2.196259     -0.177585      6.389934
  N      -3.184953      0.080354      5.507673
  C      -3.941753     -0.075737      4.403839
  O      -4.194351      1.086196      3.905545
  C      -4.452178     -1.314535      3.854725
  C      -5.336411     -1.264723      2.760788
  C      -5.840483     -2.452196      2.244096
  C      -5.468493     -3.683373      2.795751
  C      -4.588004     -3.718446      3.882088
  Br     -4.085169     -5.388692      4.632339
  C      -4.078147     -2.546513      4.423183
  C      -4.768069      4.426348      4.585634
  N      -5.160721      5.662010      4.662044
  C      -6.521563      5.856806      4.351835
  O      -7.107928      5.215776      3.481663
  C      -7.206184      6.911833      5.153317
  C      -8.566696      7.160299      4.922281
  C      -9.240019      8.111690      5.681979
  C      -8.572322      8.823753      6.682585
  C      -7.219227      8.564383      6.904214
  Br     -6.294991      9.527368      8.269788
  C      -6.524174      7.623546      6.152000
  C      -5.804239      1.932478      6.464316
  N      -6.829438      2.488011      7.044056
  C      -8.083697      1.957739      6.700782
  O      -8.272883      0.792204      6.342112
  C      -9.197120      2.946536      6.811862
  C      -9.032045      4.183637      7.453334
  C     -10.096574      5.078657      7.523255
  C     -11.326964      4.763007      6.942446
  C     -11.477640      3.528632      6.304109
  Br    -13.155710      3.095099      5.500874
  C     -10.434806      2.612445      6.240118
  H      -1.828858     -1.153295      6.733515
  H      -5.622565     -0.300204      2.341907
  H      -6.533933     -2.428812      1.403710
  H      -5.864037     -4.613215      2.388935
  H      -3.402809     -2.592168      5.276517
  H      -5.487757      3.617140      4.405325
  H      -9.079929      6.588347      4.149065
  H     -10.298340      8.306925      5.504794
  H      -9.095358      9.570163      7.279524
  H      -5.464823      7.438335      6.321325
  H      -5.940549      1.130712      5.725987
  H      -8.067064      4.429128      7.895480
  H      -9.972966      6.035849      8.028867
  H     -12.159748      5.464424      6.984169
  H     -10.555984      1.644579      5.750931
  N      -1.502666      2.174609      4.238037
  H      -0.785855      2.274270      3.513392
73
Coordinates from ORCA-job orca E -13783.466529302037
  N      -1.792872      0.995811      6.775217
  Mo     -2.872634      2.168524      5.328693
  N      -4.531138      2.344962      6.674939
  C      -4.378914      3.443338      7.638526
  C      -2.933895      3.481224      8.083225
  N      -2.005201      3.535024      6.895497
  C      -0.651641      3.015362      7.287551
  C      -0.743515      1.513891      7.617402
  C      -1.935660      4.945766      6.345995
  C      -2.406303      5.003094      4.888484
  N      -3.475022      4.026333      4.717724
  H       0.219866      1.021473      7.416795
  H      -0.992991      1.340341      8.674988
  H       0.014391      3.178006      6.432216
  H      -0.269126      3.586422      8.147079
  H      -2.771800      6.011807      4.647741
  H      -1.581780      4.745507      4.206335
  H      -2.595732      5.565677      6.964403
  H      -0.910383      5.322155      6.454527
  H      -5.036137      3.290948      8.506696
  H      -4.685041      4.401332      7.182501
  H      -2.710851      2.568668      8.646962
  H      -2.719210      4.345599      8.728147
  C      -2.219292     -0.176166      6.399060
  N      -3.198685      0.084862      5.505136
  C      -3.946021     -0.067373      4.395064
  O      -4.193114      1.095567      3.896739
  C      -4.453648     -1.304862      3.839910
  C      -5.317455     -1.256934      2.730182
  C      -5.815487     -2.445519      2.208647
  C      -5.458821     -3.675602      2.772098
  C      -4.598431     -3.708776      3.874365
  Br     -4.118058     -5.378648      4.641417
  C      -4.093489     -2.535624      4.419366
  C      -4.763475      4.429899      4.579141
  N      -5.155255      5.665323      4.658441
  C      -6.517818      5.857986      4.352392
  O      -7.106339      5.211756      3.487797
  C      -7.201545      6.916038      5.151043
  C      -8.562007      7.164511      4.917294
  C      -9.235692      8.118431      5.673511
  C      -8.568979      8.831429      6.674614
  C      -7.216902      8.570695      6.899893
  Br     -6.295121      9.534455      8.266735
  C      -6.521494      7.627769      6.150487
  C      -5.800210      1.925243      6.469527
  N      -6.827772      2.481139      7.044715
  C      -8.082272      1.942323      6.717878
  O      -8.269112      0.775328      6.365581
  C      -9.198769      2.927986      6.835102
  C      -9.022307      4.180434      7.444489
  C     -10.083697      5.079753      7.506771
  C     -11.323516      4.752266      6.953092
  C     -11.486886      3.502362      6.351030
  Br    -13.177551      3.052926      5.586533
  C     -10.445965      2.583448      6.291755
  H      -1.862876     -1.153161      6.749119
  H      -5.592479     -0.293576      2.301319
  H      -6.492825     -2.424233      1.355152
  H      -5.850751     -4.606389      2.361659
  H      -3.434761     -2.578485      5.285326
  H      -5.483271      3.621060      4.400001
  H      -9.075145      6.590759      4.144333
  H     -10.295069      8.312539      5.494487
  H      -9.092792      9.578735      7.269845
  H      -5.463513      7.441338      6.322470
  H      -5.933083      1.113586      5.742961
  H      -8.050847      4.434924      7.865207
  H      -9.948327      6.052070      7.983250
  H     -12.152709      5.457512      6.987235
  H     -10.574701      1.607250      5.825790
  N      -1.488225      2.164502      4.254358
  H      -0.741021      2.245394      3.557238
73
Coordinates from ORCA-job orca E -13783.466690925863
  N      -1.813635      0.992914      6.782809
  Mo     -2.877965      2.170834      5.324755
  N      -4.533069      2.351282      6.676622
  C      -4.382090      3.456446      7.629786
  C      -2.938747      3.491293      8.080978
  N      -2.006278      3.536275      6.896321
  C      -0.658188      3.005575      7.290160
  C      -0.764074      1.506728      7.627830
  C      -1.928363      4.944956      6.344788
  C      -2.402491      5.003538      4.888354
  N      -3.472356      4.028007      4.717674
  H       0.196545      1.004358      7.437971
  H      -1.022177      1.343681      8.685095
  H       0.008240      3.155054      6.431929
  H      -0.268927      3.578216      8.145291
  H      -2.766228      6.013115      4.647879
  H      -1.579978      4.742994      4.204004
  H      -2.580556      5.572237      6.964916
  H      -0.899830      5.314520      6.448330
  H      -5.045309      3.312872      8.494066
  H      -4.681858      4.410508      7.161227
  H      -2.721584      2.580470      8.649433
  H      -2.723778      4.356673      8.724490
  C      -2.245933     -0.176155      6.408907
  N      -3.216838      0.087610      5.504044
  C      -3.955523     -0.061229      4.386994
  O      -4.196826      1.103395      3.888345
  C      -4.458333     -1.298975      3.824972
  C      -5.292774     -1.255369      2.692891
  C      -5.776669     -2.445339      2.162206
  C      -5.436292     -3.672345      2.740630
  C      -4.605363     -3.701629      3.865751
  Br     -4.143977     -5.367638      4.650950
  C      -4.114496     -2.526979      4.419562
  C      -4.760187      4.431497      4.577066
  N      -5.151871      5.667290      4.654158
  C      -6.513641      5.861958      4.346181
  O      -7.102950      5.213596      3.484090
  C      -7.195421      6.924819      5.141939
  C      -8.554812      7.174499      4.905129
  C      -9.228922      8.130819      5.658667
  C      -8.564406      8.842499      6.661972
  C      -7.213104      8.580724      6.890097
  Br     -6.293233      9.544382      8.258915
  C      -6.516763      7.637001      6.142075
  C      -5.800513      1.921998      6.482220
  N      -6.827258      2.480552      7.055578
  C      -8.080401      1.934830      6.741637
  O      -8.261242      0.764139      6.398035
  C      -9.201728      2.916235      6.861285
  C      -9.017312      4.182092      7.439064
  C     -10.079186      5.081519      7.497264
  C     -11.328298      4.739216      6.973402
  C     -11.499853      3.474830      6.405386
  Br    -13.202977      3.003230      5.683015
  C     -10.458282      2.557002      6.348084
  H      -1.901271     -1.155910      6.763817
  H      -5.553781     -0.293926      2.250748
  H      -6.429176     -2.427721      1.289066
  H      -5.815974     -4.604033      2.322588
  H      -3.478257     -2.565337      5.303159
  H      -5.479039      3.620397      4.396705
  H      -9.065672      6.602009      4.131028
  H     -10.286791      8.326561      5.476302
  H      -9.089201      9.590485      7.256043
  H      -5.458783      7.451040      6.315836
  H      -5.933884      1.101521      5.764219
  H      -8.038972      4.448503      7.836078
  H      -9.934459      6.067683      7.944534
  H     -12.157642      5.444371      7.004702
  H     -10.592484      1.570516      5.906267
  N      -1.484529      2.156918      4.264824
  H      -0.715175      2.221821      3.590064
73
Coordinates from ORCA-job orca E -13783.466825640815
  N      -1.822640      0.997065      6.787673
  Mo     -2.873900      2.176706      5.321533
  N      -4.527500      2.361606      6.677383
  C      -4.379883      3.472742      7.621907
  C      -2.939331      3.505138      8.079470
  N      -2.002430      3.543774      6.898846
  C      -0.658937      3.005062      7.295602
  C      -0.774578      1.508055      7.637839
  C      -1.919802      4.950900      6.345949
  C      -2.392733      5.008336      4.888037
  N      -3.462546      4.032668      4.714876
  H       0.184081      0.999147      7.456813
  H      -1.040185      1.351384      8.693776
  H       0.008075      3.144228      6.436073
  H      -0.265090      3.578762      8.147450
  H      -2.753445      6.018249      4.645406
  H      -1.569955      4.743664      4.205492
  H      -2.569276      5.582609      6.964719
  H      -0.890132      5.318338      6.447901
  H      -5.046775      3.333652      8.483946
  H      -4.677973      4.423206      7.145277
  H      -2.728999      2.594143      8.650425
  H      -2.725513      4.370077      8.724304
  C      -2.259631     -0.170563      6.415865
  N      -3.223248      0.094173      5.502476
  C      -3.958200     -0.048685      4.382749
  O      -4.190960      1.118633      3.885736
  C      -4.465949     -1.282102      3.816924
  C      -5.274164     -1.234988      2.667441
  C      -5.765675     -2.421433      2.134743
  C      -5.459052     -3.648934      2.730334
  C      -4.652939     -3.682393      3.872651
  Br     -4.236998     -5.349910      4.680820
  C      -4.154576     -2.510570      4.428198
  C      -4.749594      4.432870      4.566393
  N      -5.143699      5.667004      4.640929
  C      -6.505419      5.863341      4.332078
  O      -7.097255      5.217809      3.469648
  C      -7.184798      6.925250      5.131461
  C      -8.545007      7.174917      4.898284
  C      -9.218230      8.127805      5.656437
  C      -8.551188      8.836285      6.660786
  C      -7.198731      8.574688      6.884705
  Br     -6.274274      9.535023      8.254156
  C      -6.503808      7.634000      6.131915
  C      -5.791404      1.920821      6.490193
  N      -6.822911      2.479120      7.057668
  C      -8.073319      1.919424      6.754845
  O      -8.245165      0.745780      6.419494
  C      -9.202467      2.892529      6.872099
  C      -9.017790      4.172091      7.418750
  C     -10.085178      5.066680      7.473461
  C     -11.340106      4.705307      6.977626
  C     -11.510716      3.427127      6.439820
  Br    -13.221641      2.927745      5.755877
  C     -10.464200      2.514392      6.385468
  H      -1.925465     -1.152329      6.776253
  H      -5.510091     -0.273021      2.212845
  H      -6.398227     -2.400647      1.247601
  H      -5.845991     -4.578390      2.311783
  H      -3.540439     -2.551118      5.326393
  H      -5.465976      3.618750      4.382595
  H      -9.056721      6.605199      4.123485
  H     -10.276341      8.323619      5.476256
  H      -9.074766      9.582050      7.258384
  H      -5.444928      7.448669      6.302663
  H      -5.920269      1.090193      5.783455
  H      -8.035221      4.452887      7.794310
  H      -9.939484      6.062177      7.895783
  H     -12.174496      5.405578      7.008406
  H     -10.596956      1.517898      5.965363
  N      -1.467583      2.161266      4.276162
  H      -0.682456      2.221991      3.618729
73
Coordinates from ORCA-job orca E -13783.466962692524
  N      -1.841955      0.997076      6.790226
  Mo     -2.876652      2.181522      5.318078
  N      -4.530041      2.371267      6.676480
  C      -4.381445      3.483719      7.619338
  C      -2.942686      3.511082      8.078262
  N      -2.001931      3.545581      6.901524
  C      -0.664206      2.995747      7.300969
  C      -0.793933      1.500503      7.646038
  C      -1.911371      4.951587      6.348687
  C      -2.389112      5.012246      4.891583
  N      -3.460932      4.037997      4.717546
  H       0.160765      0.982665      7.471326
  H      -1.067098      1.348073      8.700393
  H       0.004157      3.125033      6.441161
  H      -0.265469      3.568433      8.150930
  H      -2.747648      6.022954      4.651076
  H      -1.568782      4.745117      4.207595
  H      -2.551386      5.589521      6.970836
  H      -0.878196      5.311402      6.443743
  H      -5.047093      3.343492      8.482409
  H      -4.681044      4.434573      7.144194
  H      -2.739692      2.597718      8.648371
  H      -2.726815      4.373671      8.726312
  C      -2.286521     -0.167867      6.419276
  N      -3.242151      0.101289      5.498669
  C      -3.967043     -0.038969      4.371242
  O      -4.187557      1.128414      3.868444
  C      -4.468629     -1.272660      3.801226
  C      -5.234566     -1.230462      2.622751
  C      -5.717882     -2.417435      2.084230
  C      -5.444523     -3.640792      2.703559
  C      -4.680505     -3.669635      3.875153
  Br     -4.308228     -5.330960      4.715730
  C      -4.191633     -2.496939      4.436859
  C      -4.747668      4.436249      4.563292
  N      -5.139807      5.670383      4.630756
  C      -6.498754      5.873640      4.314825
  O      -7.089596      5.233186      3.448933
  C      -7.175251      6.938062      5.114389
  C      -8.533730      7.193661      4.880062
  C      -9.204350      8.148123      5.639571
  C      -8.536091      8.851886      6.646473
  C      -7.185471      8.583944      6.871085
  Br     -6.258553      9.537813      8.243861
  C      -6.493108      7.642075      6.116617
  C      -5.790801      1.919405      6.502309
  N      -6.821898      2.478217      7.070872
  C      -8.070108      1.907899      6.780730
  O      -8.235738      0.728587      6.461020
  C      -9.204344      2.876052      6.894365
  C      -9.016894      4.172668      7.399511
  C     -10.090351      5.059701      7.456077
  C     -11.354493      4.672777      7.003698
  C     -11.525675      3.379662      6.503108
  Br    -13.248856      2.846899      5.875480
  C     -10.473290      2.475244      6.446424
  H      -1.965845     -1.152557      6.784728
  H      -5.444236     -0.271445      2.149783
  H      -6.317434     -2.400233      1.174093
  H      -5.824898     -4.570797      2.280744
  H      -3.613185     -2.533146      5.359156
  H      -5.462839      3.620807      4.377286
  H      -9.046228      6.626042      4.104155
  H     -10.261171      8.348326      5.458246
  H      -9.057671      9.598561      7.245345
  H      -5.435840      7.451816      6.288737
  H      -5.919803      1.081186      5.801993
  H      -8.028032      4.470967      7.743281
  H      -9.942076      6.067732      7.845293
  H     -12.195155      5.364837      7.039707
  H     -10.606351      1.467638      6.054257
  N      -1.462095      2.166173      4.284897
  H      -0.663682      2.220512      3.641823
73
Coordinates from ORCA-job orca E -13783.467078712649
  N      -1.852020      1.000769      6.795585
  Mo     -2.872750      2.187061      5.318023
  N      -4.528240      2.382288      6.675742
  C      -4.378819      3.496246      7.618675
  C      -2.941207      3.521186      8.078006
  N      -1.997143      3.549252      6.903747
  C      -0.664192      2.992023      7.309552
  C      -0.805666      1.498639      7.656719
  C      -1.896472      4.953125      6.346761
  C      -2.375363      5.014886      4.888946
  N      -3.450623      4.044019      4.714893
  H       0.146141      0.974049      7.487067
  H      -1.085594      1.348133      8.709612
  H       0.008301      3.115720      6.452532
  H      -0.264669      3.563216      8.160314
  H      -2.730384      6.026521      4.648139
  H      -1.556109      4.744395      4.205708
  H      -2.529920      5.597795      6.968347
  H      -0.860186      5.304707      6.438278
  H      -5.043105      3.355650      8.483414
  H      -4.679324      4.448034      7.146376
  H      -2.744263      2.607389      8.649697
  H      -2.722791      4.384307      8.724933
  C      -2.303410     -0.162099      6.425969
  N      -3.252435      0.110826      5.500434
  C      -3.970289     -0.024194      4.367838
  O      -4.179524      1.145408      3.864143
  C      -4.475432     -1.253840      3.794358
  C      -5.215872     -1.207269      2.599540
  C      -5.704899     -2.390078      2.056666
  C      -5.462604     -3.613895      2.687982
  C      -4.724675     -3.646966      3.876248
  Br     -4.396579     -5.308238      4.734701
  C      -4.230338     -2.478429      4.442135
  C      -4.736877      4.442674      4.554714
  N      -5.126203      5.677332      4.613923
  C      -6.483677      5.883817      4.292647
  O      -7.070836      5.249408      3.420293
  C      -7.161484      6.944459      5.095497
  C      -8.520306      7.200924      4.862846
  C      -9.190520      8.152077      5.626717
  C      -8.521368      8.852636      6.635578
  C      -7.170118      8.584692      6.857737
  Br     -6.242669      9.531431      8.234291
  C      -6.477788      7.646258      6.099105
  C      -5.786390      1.920982      6.511488
  N      -6.819341      2.478413      7.080047
  C      -8.064423      1.895379      6.799708
  O      -8.223101      0.710732      6.495277
  C      -9.206082      2.854063      6.907530
  C      -9.026185      4.162396      7.380373
  C     -10.109430      5.037401      7.437326
  C     -11.376416      4.625992      7.017554
  C     -11.540271      3.319751      6.548118
  Br    -13.269056      2.752580      5.965146
  C     -10.477685      2.427257      6.491588
  H      -1.994222     -1.148034      6.797192
  H      -5.401467     -0.247842      2.117828
  H      -6.284782     -2.369202      1.134067
  H      -5.848040     -4.540592      2.262211
  H      -3.675146     -2.517815      5.378408
  H      -5.452852      3.627361      4.370472
  H      -9.032446      6.636994      4.085012
  H     -10.246680      8.354036      5.446319
  H      -9.042453      9.596935      7.237555
  H      -5.419905      7.455667      6.270229
  H      -5.913134      1.076423      5.818005
  H      -8.034611      4.479775      7.699296
  H      -9.967323      6.055071      7.800972
  H     -12.225787      5.308008      7.056393
  H     -10.605025      1.409030      6.123853
  N      -1.449459      2.163592      4.296587
  H      -0.639163      2.206822      3.668213
73
Coordinates from ORCA-job orca E -13783.467179737190
  N      -1.869656      1.001628      6.797838
  Mo     -2.867754      2.194133      5.314753
  N      -4.523779      2.412207      6.673973
  C      -4.374804      3.530365      7.609085
  C      -2.937695      3.543479      8.072688
  N      -1.988893      3.553520      6.903421
  C      -0.664097      2.981570      7.318473
  C      -0.825239      1.489995      7.666743
  C      -1.870059      4.952964      6.342277
  C      -2.354236      5.018842      4.886816
  N      -3.434527      4.053995      4.713214
  H       0.121478      0.955090      7.502120
  H      -1.113604      1.340485      8.717627
  H       0.015812      3.097357      6.466702
  H      -0.263704      3.548858      8.171983
  H      -2.706263      6.032277      4.649010
  H      -1.537907      4.746296      4.201478
  H      -2.489636      5.608148      6.966407
  H      -0.827898      5.288181      6.425754
  H      -5.040162      3.397898      8.475287
  H      -4.670691      4.482131      7.134612
  H      -2.752754      2.631487      8.651342
  H      -2.712667      4.409764      8.713157
  C      -2.335514     -0.156606      6.431068
  N      -3.275695      0.124821      5.499842
  C      -3.980389     -0.005254      4.358675
  O      -4.169917      1.164250      3.847952
  C      -4.489580     -1.232175      3.784328
  C      -5.178828     -1.188187      2.558084
  C      -5.671585     -2.367958      2.012748
  C      -5.485517     -3.586334      2.672526
  C      -4.800939     -3.615938      3.892918
  Br     -4.554655     -5.268095      4.793349
  C      -4.301815     -2.450956      4.460444
  C      -4.720050      4.457550      4.545772
  N      -5.100497      5.694408      4.594366
  C      -6.454640      5.909976      4.264275
  O      -7.033562      5.289694      3.376380
  C      -7.136619      6.958533      5.077904
  C      -8.496151      7.215688      4.848464
  C      -9.167937      8.155614      5.624099
  C      -8.499611      8.845804      6.640221
  C      -7.148135      8.577335      6.859096
  Br     -6.222219      9.507341      8.247352
  C      -6.454395      7.648922      6.089880
  C      -5.775932      1.932962      6.526397
  N      -6.812467      2.488039      7.091441
  C      -8.050741      1.881871      6.829907
  O      -8.195741      0.686981      6.557009
  C      -9.206611      2.823766      6.922333
  C      -9.043404      4.154850      7.331799
  C     -10.143924      5.008237      7.383047
  C     -11.412741      4.551649      7.020979
  C     -11.560188      3.223823      6.610753
  Br    -13.292858      2.598850      6.102220
  C     -10.479171      2.352714      6.560421
  H      -2.047239     -1.145182      6.810330
  H      -5.320287     -0.232988      2.054205
  H      -6.210790     -2.349178      1.065593
  H      -5.874820     -4.510108      2.244964
  H      -3.792072     -2.486766      5.422663
  H      -5.439245      3.645974      4.365733
  H      -9.008948      6.657996      4.065125
  H     -10.225147      8.357875      5.446808
  H      -9.021836      9.581877      7.250727
  H      -5.396873      7.456341      6.260087
  H      -5.898209      1.076201      5.848892
  H      -8.050165      4.506696      7.608060
  H     -10.016276      6.042826      7.698862
  H     -12.276322      5.216216      7.058162
  H     -10.594127      1.316409      6.240064
  N      -1.436679      2.172408      4.306431
  H      -0.623373      2.218073      3.683683
73
Coordinates from ORCA-job orca E -13783.467289175225
  N      -1.877716      1.008786      6.799202
  Mo     -2.865418      2.201859      5.314396
  N      -4.528919      2.419468      6.664407
  C      -4.377884      3.538514      7.601873
  C      -2.940848      3.552490      8.067709
  N      -1.986310      3.556958      6.900981
  C      -0.666462      2.981441      7.328634
  C      -0.835955      1.490554      7.674010
  C      -1.852065      4.954219      6.334328
  C      -2.335633      5.023158      4.877967
  N      -3.421087      4.065774      4.705474
  H       0.109649      0.951540      7.510850
  H      -1.129418      1.338015      8.723933
  H       0.023174      3.099060      6.484673
  H      -0.273324      3.545472      8.188298
  H      -2.682690      6.038761      4.640147
  H      -1.519940      4.747546      4.192911
  H      -2.464225      5.617957      6.956637
  H      -0.805878      5.275870      6.416876
  H      -5.043411      3.406214      8.468213
  H      -4.671731      4.492245      7.130330
  H      -2.759481      2.641592      8.648514
  H      -2.714774      4.420734      8.704502
  C      -2.349980     -0.147168      6.433945
  N      -3.289410      0.138625      5.503269
  C      -3.984416      0.006352      4.355932
  O      -4.167473      1.173858      3.840398
  C      -4.493480     -1.220888      3.781858
  C      -5.162038     -1.178647      2.543123
  C      -5.657049     -2.357290      1.997411
  C      -5.495355     -3.573363      2.668819
  C      -4.832637     -3.600619      3.901778
  Br     -4.624960     -5.248220      4.820554
  C      -4.329545     -2.437167      4.468946
  C      -4.704587      4.476810      4.535353
  N      -5.078910      5.715898      4.577915
  C      -6.431207      5.936546      4.244704
  O      -7.003551      5.328406      3.344303
  C      -7.117642      6.973902      5.067557
  C      -8.478218      7.228110      4.841306
  C      -9.152262      8.159696      5.624988
  C      -8.485045      8.846338      6.644541
  C      -7.132865      8.580456      6.860729
  Br     -6.207900      9.505355      8.254036
  C      -6.437640      7.658270      6.085185
  C      -5.778785      1.933423      6.524452
  N      -6.815951      2.484253      7.093491
  C      -8.052353      1.867139      6.843300
  O      -8.192690      0.668193      6.586938
  C      -9.214002      2.802556      6.927327
  C      -9.060119      4.144152      7.309524
  C     -10.169383      4.985456      7.365222
  C     -11.438511      4.505725      7.034578
  C     -11.576425      3.170673      6.644920
  Br    -13.310012      2.518375      6.174410
  C     -10.485607      2.312548      6.590199
  H      -2.069838     -1.136825      6.815986
  H      -5.284861     -0.225297      2.030648
  H      -6.179669     -2.339554      1.040712
  H      -5.887584     -4.495871      2.241017
  H      -3.837917     -2.471298      5.440879
  H      -5.428949      3.668843      4.361970
  H      -8.990355      6.674152      4.054066
  H     -10.210442      8.360082      5.450582
  H      -9.008519      9.577459      7.260106
  H      -5.379841      7.466662      6.253940
  H      -5.899253      1.073087      5.850569
  H      -8.067359      4.512003      7.564998
  H     -10.051441      6.026762      7.663998
  H     -12.309550      5.159064      7.078294
  H     -10.593493      1.271598      6.287181
  N      -1.432559      2.155478      4.306328
  H      -0.611188      2.175190      3.694050
73
Coordinates from ORCA-job orca E -13783.467397194783
  N      -1.893360      1.008465      6.809448
  Mo     -2.866357      2.204444      5.316304
  N      -4.530570      2.436388      6.662109
  C      -4.380508      3.561117      7.590647
  C      -2.944660      3.572311      8.064507
  N      -1.985601      3.559553      6.901119
  C      -0.672901      2.976058      7.340171
  C      -0.853588      1.487044      7.688008
  C      -1.833872      4.952031      6.326376
  C      -2.318525      5.020303      4.869825
  N      -3.408396      4.068789      4.698518
  H       0.089675      0.942435      7.530963
  H      -1.152303      1.338403      8.736649
  H       0.024138      3.088220      6.501309
  H      -0.283266      3.539683      8.201489
  H      -2.661133      6.037468      4.631034
  H      -1.504244      4.740884      4.183892
  H      -2.435461      5.627962      6.946213
  H      -0.783023      5.258945      6.405334
  H      -5.052266      3.439184      8.453006
  H      -4.664688      4.512890      7.108905
  H      -2.769421      2.667064      8.655389
  H      -2.716450      4.446351      8.691898
  C      -2.374374     -0.144406      6.448261
  N      -3.308864      0.145883      5.511906
  C      -3.992260      0.017455      4.356648
  O      -4.165009      1.186745      3.841198
  C      -4.503157     -1.206169      3.775893
  C      -5.159328     -1.159298      2.531029
  C      -5.655772     -2.334626      1.979910
  C      -5.508711     -3.551927      2.651960
  C      -4.858101     -3.583753      3.891062
  Br     -4.672096     -5.233341      4.810645
  C      -4.352543     -2.423943      4.463198
  C      -4.688599      4.489517      4.525423
  N      -5.054726      5.731218      4.562467
  C      -6.404029      5.960195      4.225593
  O      -6.972758      5.361781      3.316051
  C      -7.091373      6.992790      5.054211
  C      -8.452140      7.245692      4.827995
  C      -9.128701      8.171167      5.617194
  C      -8.464729      8.851915      6.642440
  C      -7.111862      8.588042      6.858524
  Br     -6.191725      9.503785      8.259958
  C      -6.413775      7.672353      6.077775
  C      -5.777244      1.938899      6.532372
  N      -6.816668      2.485754      7.099957
  C      -8.047012      1.852012      6.866402
  O      -8.173155      0.647183      6.631652
  C      -9.220603      2.773227      6.942100
  C      -9.078910      4.126707      7.281528
  C     -10.198233      4.955223      7.330208
  C     -11.466265      4.449546      7.037780
  C     -11.593363      3.100655      6.693659
  Br    -13.326090      2.409621      6.279791
  C     -10.491697      2.255742      6.644953
  H      -2.106500     -1.134808      6.837763
  H      -5.271314     -0.205041      2.017868
  H      -6.168394     -2.313436      1.017985
  H      -5.902771     -4.471607      2.219506
  H      -3.869046     -2.460997      5.438850
  H      -5.418416      3.685223      4.356756
  H      -8.960946      6.699033      4.035104
  H     -10.187186      8.370587      5.443206
  H      -8.991133      9.577065      7.262608
  H      -5.355588      7.481537      6.246648
  H      -5.894494      1.070295      5.868470
  H      -8.087489      4.515533      7.508041
  H     -10.089875      6.008349      7.593860
  H     -12.345016      5.092805      7.077135
  H     -10.591379      1.203331      6.378852
  N      -1.425830      2.143653      4.319907
  H      -0.597138      2.154359      3.715783
73
Coordinates from ORCA-job orca E -13783.467508798658
  N      -1.913976      1.007890      6.817770
  Mo     -2.869252      2.209513      5.316001
  N      -4.536804      2.459790      6.652002
  C      -4.387810      3.591306      7.568651
  C      -2.955474      3.596391      8.056573
  N      -1.987918      3.563928      6.899334
  C      -0.684908      2.970478      7.353820
  C      -0.877927      1.482311      7.703228
  C      -1.815119      4.952086      6.318882
  C      -2.297650      5.020279      4.861398
  N      -3.392425      4.075890      4.688914
  H       0.064053      0.931549      7.554489
  H      -1.184181      1.338331      8.751049
  H       0.022624      3.075872      6.521921
  H      -0.301833      3.533839      8.218263
  H      -2.633613      6.039487      4.620481
  H      -1.483759      4.735776      4.176163
  H      -2.406170      5.640723      6.935087
  H      -0.759754      5.242395      6.398276
  H      -5.071166      3.484742      8.422960
  H      -4.654589      4.540437      7.071620
  H      -2.788302      2.697322      8.659078
  H      -2.726712      4.475780      8.675412
  C      -2.406142     -0.140764      6.459904
  N      -3.336623      0.155950      5.518902
  C      -4.003375      0.027380      4.353003
  O      -4.166163      1.194959      3.833228
  C      -4.511455     -1.196067      3.767188
  C      -5.149133     -1.150375      2.513412
  C      -5.644203     -2.325082      1.959652
  C      -5.514417     -3.540262      2.638464
  C      -4.881374     -3.571172      3.886540
  Br     -4.718256     -5.219000      4.812996
  C      -4.376798     -2.412133      4.461250
  C      -4.666896      4.509704      4.508902
  N      -5.022744      5.754783      4.541360
  C      -6.367708      5.997309      4.201529
  O      -6.934805      5.416440      3.279072
  C      -7.054503      7.019828      5.043029
  C      -8.415740      7.270909      4.819973
  C      -9.094167      8.185496      5.620209
  C      -8.432189      8.855501      6.653492
  C      -7.078459      8.593342      6.866504
  Br     -6.160670      9.495615      8.278123
  C      -6.378558      7.688733      6.075258
  C      -5.780329      1.951426      6.534345
  N      -6.821716      2.492556      7.102521
  C      -8.044856      1.837800      6.893578
  O      -8.152695      0.626472      6.686840
  C      -9.233746      2.739679      6.961065
  C      -9.107596      4.107961      7.245255
  C     -10.239622      4.919714      7.285687
  C     -11.504962      4.383143      7.041071
  C     -11.616834      3.019519      6.753033
  Br    -13.343756      2.284641      6.405066
  C     -10.502428      2.190604      6.713036
  H      -2.151715     -1.132791      6.855626
  H      -5.248410     -0.197450      1.994836
  H      -6.141910     -2.305093      0.989711
  H      -5.907288     -4.459128      2.203316
  H      -3.904776     -2.447132      5.442672
  H      -5.403177      3.710672      4.343226
  H      -8.922936      6.734380      4.019197
  H     -10.152925      8.383749      5.449100
  H      -8.960713      9.571410      7.282339
  H      -5.319175      7.500043      6.240917
  H      -5.892837      1.073634      5.881381
  H      -8.118932      4.523409      7.434485
  H     -10.143886      5.984059      7.507962
  H     -12.392976      5.014043      7.074122
  H     -10.590312      1.127425      6.491686
  N      -1.424384      2.133042      4.326867
  H      -0.591238      2.132516      3.728894
73
Coordinates from ORCA-job orca E -13783.467574176861
  N      -1.928164      1.008421      6.822978
  Mo     -2.873540      2.213834      5.316437
  N      -4.542558      2.476364      6.644893
  C      -4.392378      3.610441      7.557643
  C      -2.962656      3.610036      8.051992
  N      -1.990724      3.567212      6.898524
  C      -0.693393      2.967984      7.360669
  C      -0.893590      1.480603      7.711236
  C      -1.806719      4.952814      6.314834
  C      -2.284835      5.019927      4.855370
  N      -3.383787      4.080204      4.680625
  H       0.046885      0.926992      7.566623
  H      -1.203408      1.339535      8.757981
  H       0.018604      3.068285      6.532194
  H      -0.312798      3.531612      8.225658
  H      -2.615035      6.040089      4.611462
  H      -1.470332      4.730392      4.173000
  H      -2.393739      5.647836      6.927568
  H      -0.749473      5.235416      6.396956
  H      -5.081663      3.510876      8.407749
  H      -4.649232      4.559426      7.055033
  H      -2.800646      2.713496      8.659933
  H      -2.732372      4.491240      8.667818
  C      -2.426612     -0.137948      6.466319
  N      -3.355492      0.162810      5.524271
  C      -4.011966      0.034109      4.352063
  O      -4.167370      1.201081      3.829420
  C      -4.517563     -1.189437      3.763480
  C      -5.143434     -1.144644      2.504388
  C      -5.636438     -2.319296      1.948809
  C      -5.515791     -3.532992      2.631587
  C      -4.893863     -3.563372      3.885082
  Br     -4.742060     -5.210370      4.814947
  C      -4.392187     -2.404243      4.461942
  C      -4.654675      4.521933      4.495601
  N      -5.003287      5.768805      4.524927
  C      -6.345039      6.021368      4.183044
  O      -6.912575      5.453792      3.252418
  C      -7.029769      7.037582      5.034416
  C      -8.391434      7.288638      4.816248
  C      -9.070173      8.193879      5.626667
  C      -8.407035      8.855241      6.664555
  C      -7.052311      8.593743      6.872018
  Br     -6.132280      9.486208      8.288726
  C      -6.353115      7.697112      6.071445
  C      -5.784416      1.961719      6.534055
  N      -6.826690      2.498017      7.103544
  C      -8.044110      1.828510      6.911722
  O      -8.138595      0.612663      6.725178
  C      -9.242510      2.719668      6.971539
  C      -9.127372      4.095903      7.220659
  C     -10.267848      4.896985      7.254044
  C     -11.530718      4.340667      7.039966
  C     -11.631026      2.969630      6.787176
  Br    -13.353386      2.204049      6.484836
  C     -10.507930      2.152342      6.752644
  H      -2.178204     -1.130505      6.864216
  H      -5.235800     -0.192674      1.982713
  H      -6.125065     -2.300388      0.974353
  H      -5.907019     -4.451697      2.194926
  H      -3.928485     -2.437818      5.447301
  H      -5.394879      3.726524      4.329405
  H      -8.899799      6.758780      4.011229
  H     -10.130107      8.390735      5.460104
  H      -8.935436      9.564217      7.301211
  H      -5.293631      7.508531      6.232859
  H      -5.893391      1.079468      5.886595
  H      -8.141753      4.526489      7.388615
  H     -10.180474      5.967437      7.449703
  H     -12.425342      4.962234      7.069252
  H     -10.586960      1.082454      6.560792
  N      -1.425163      2.127752      4.332641
  H      -0.587037      2.118787      3.740372
73
Coordinates from ORCA-job orca E -13783.467665021577
  N      -1.945705      1.010331      6.825902
  Mo     -2.880134      2.220520      5.312920
  N      -4.555023      2.497677      6.626357
  C      -4.402508      3.633095      7.537898
  C      -2.977145      3.622888      8.041452
  N      -1.997895      3.572042      6.894016
  C      -0.706498      2.967303      7.364912
  C      -0.914243      1.480790      7.718240
  C      -1.803848      4.956027      6.308964
  C      -2.270133      5.021085      4.845663
  N      -3.374004      4.086828      4.665761
  H       0.025555      0.924155      7.580147
  H      -1.230084      1.344280      8.764001
  H       0.010143      3.060485      6.539760
  H      -0.328571      3.532266      8.230024
  H      -2.591766      6.042239      4.595945
  H      -1.453045      4.723590      4.170197
  H      -2.392464      5.654680      6.915713
  H      -0.746338      5.234863      6.400398
  H      -5.100115      3.540590      8.382022
  H      -4.646470      4.583331      7.031394
  H      -2.822517      2.726987      8.652906
  H      -2.745752      4.503400      8.658374
  C      -2.449417     -0.133275      6.468491
  N      -3.377534      0.172341      5.526541
  C      -4.020368      0.039022      4.346245
  O      -4.167900      1.202246      3.815256
  C      -4.519108     -1.188477      3.759340
  C      -5.128570     -1.152290      2.492633
  C      -5.616447     -2.330884      1.940096
  C      -5.505240     -3.538932      2.634150
  C      -4.898391     -3.561141      3.895123
  Br     -4.757587     -5.201747      4.837662
  C      -4.403858     -2.397587      4.469708
  C      -4.641206      4.537217      4.475635
  N      -4.981177      5.785859      4.505164
  C      -6.320005      6.051831      4.164208
  O      -6.890661      5.504579      3.223517
  C      -7.000075      7.057441      5.033060
  C      -8.363299      7.309504      4.826276
  C      -9.038488      8.202804      5.653242
  C      -8.369555      8.851099      6.696051
  C      -7.012972      8.589492      6.890966
  Br     -6.085882      9.463887      8.313520
  C      -6.317303      7.705007      6.074047
  C      -5.795919      1.979802      6.520671
  N      -6.837693      2.510347      7.094433
  C      -8.048933      1.824672      6.926292
  O      -8.129746      0.604052      6.765499
  C      -9.257067      2.702659      6.981592
  C      -9.154726      4.086340      7.193497
  C     -10.304631      4.874712      7.218073
  C     -11.563442      4.299119      7.032841
  C     -11.650221      2.919961      6.820701
  Br    -13.364980      2.123224      6.563177
  C     -10.517828      2.115066      6.794652
  H      -2.203608     -1.126987      6.864719
  H      -5.213740     -0.204482      1.962320
  H      -6.093406     -2.319383      0.959738
  H      -5.892591     -4.460702      2.200167
  H      -3.953662     -2.423254      5.461524
  H      -5.385816      3.746386      4.305171
  H      -8.875651      6.791151      4.016302
  H     -10.099457      8.400065      5.495461
  H      -8.894798      9.550641      7.345818
  H      -5.256248      7.517462      6.225679
  H      -5.900553      1.095118      5.875840
  H      -8.173090      4.533610      7.339666
  H     -10.226049      5.950427      7.385233
  H     -12.465113      4.911273      7.054219
  H     -10.585740      1.039520      6.633427
  N      -1.428226      2.123635      4.333704
  H      -0.586636      2.105636      3.746886
73
Coordinates from ORCA-job orca E -13783.467751961198
  N      -1.963923      1.016119      6.830447
  Mo     -2.887669      2.227791      5.309182
  N      -4.567286      2.521558      6.607765
  C      -4.412453      3.657498      7.520403
  C      -2.990916      3.636757      8.031042
  N      -2.005638      3.579259      6.889483
  C      -0.719149      2.970069      7.367294
  C      -0.935610      1.485864      7.726229
  C      -1.804306      4.960681      6.300682
  C      -2.254947      5.020266      4.832175
  N      -3.364850      4.092240      4.647102
  H       0.002818      0.925348      7.596102
  H      -1.258836      1.355467      8.770480
  H      -0.000164      3.054268      6.543699
  H      -0.340599      3.537228      8.230684
  H      -2.566297      6.042149      4.573222
  H      -1.434310      4.711369      4.166678
  H      -2.398497      5.661895      6.898977
  H      -0.747724      5.240057      6.402554
  H      -5.115838      3.569326      8.360465
  H      -4.647750      4.609281      7.013306
  H      -2.845643      2.739866      8.643675
  H      -2.756719      4.515150      8.650888
  C      -2.470513     -0.125718      6.472054
  N      -3.397285      0.182559      5.529977
  C      -4.026959      0.044360      4.342564
  O      -4.167855      1.205209      3.805091
  C      -4.521901     -1.186151      3.758631
  C      -5.114982     -1.156929      2.484154
  C      -5.598574     -2.338465      1.933670
  C      -5.498166     -3.541779      2.637958
  C      -4.907405     -3.557282      3.906496
  Br     -4.779831     -5.191862      4.861328
  C      -4.419019     -2.390266      4.479641
  C      -4.629589      4.550388      4.453042
  N      -4.959491      5.800783      4.483613
  C      -6.294916      6.082096      4.143323
  O      -6.867676      5.557490      3.191788
  C      -6.969179      7.075124      5.032021
  C      -8.333937      7.330360      4.840249
  C      -9.003064      8.209443      5.687285
  C      -8.325663      8.841291      6.734591
  C      -6.967357      8.578100      6.912898
  Br     -6.027281      9.433233      8.339368
  C      -6.278268      7.706684      6.076439
  C      -5.807085      1.998812      6.506357
  N      -6.849567      2.523043      7.084509
  C      -8.053450      1.821008      6.940120
  O      -8.119927      0.595939      6.808175
  C      -9.271418      2.686480      6.987628
  C      -9.184471      4.077254      7.157204
  C     -10.344920      4.850199      7.172440
  C     -11.598591      4.252628      7.020992
  C     -11.669224      2.867499      6.852068
  Br    -13.375851      2.039301      6.644005
  C     -10.526192      2.077657      6.834386
  H      -2.224784     -1.120355      6.865124
  H      -5.190545     -0.212743      1.945772
  H      -6.063393     -2.332903      0.947612
  H      -5.881902     -4.465901      2.206151
  H      -3.984214     -2.409813      5.478387
  H      -5.378584      3.764766      4.277017
  H      -8.853629      6.823310      4.026650
  H     -10.065540      8.408156      5.541119
  H      -8.845334      9.530197      7.399906
  H      -5.215938      7.518496      6.215821
  H      -5.907102      1.112375      5.863249
  H      -8.207307      4.541935      7.279644
  H     -10.276770      5.930406      7.306960
  H     -12.508359      4.852420      7.035418
  H     -10.580813      0.997116      6.705413
  N      -1.429960      2.119149      4.339667
  H      -0.583085      2.092915      3.760686
73
Coordinates from ORCA-job orca E -13783.467901539569
  N      -1.974251      1.034496      6.827409
  Mo     -2.893866      2.235624      5.294575
  N      -4.575671      2.546084      6.585315
  C      -4.418384      3.687671      7.492126
  C      -2.997715      3.663657      8.005252
  N      -2.010640      3.596707      6.866422
  C      -0.725028      2.988705      7.348393
  C      -0.947120      1.509675      7.721553
  C      -1.808341      4.972744      6.266688
  C      -2.248021      5.017803      4.795013
  N      -3.363603      4.094925      4.614289
  H      -0.010113      0.945091      7.600597
  H      -1.275374      1.390545      8.765295
  H      -0.007241      3.062114      6.522943
  H      -0.342014      3.562039      8.205840
  H      -2.550953      6.038579      4.522398
  H      -1.425807      4.694630      4.138839
  H      -2.410750      5.676503      6.853895
  H      -0.753620      5.258141      6.373874
  H      -5.122305      3.605591      8.332797
  H      -4.653293      4.636976      6.980508
  H      -2.860157      2.768405      8.621733
  H      -2.760313      4.543274      8.622490
  C      -2.479441     -0.109730      6.473365
  N      -3.405420      0.193351      5.530400
  C      -4.031724      0.041681      4.342742
  O      -4.169462      1.196166      3.789765
  C      -4.526588     -1.195969      3.774598
  C      -5.115280     -1.184415      2.497077
  C      -5.595178     -2.374091      1.960596
  C      -5.494316     -3.568437      2.680878
  C      -4.908311     -3.566099      3.951685
  Br     -4.779482     -5.187350      4.929422
  C      -4.424482     -2.390479      4.511204
  C      -4.627924      4.560224      4.428868
  N      -4.948379      5.812388      4.478573
  C      -6.282511      6.113935      4.147920
  O      -6.854860      5.635714      3.172400
  C      -6.949432      7.076236      5.075540
  C      -8.308762      7.364195      4.887221
  C      -8.968920      8.214254      5.770588
  C      -8.288783      8.783494      6.852029
  C      -6.936482      8.488351      7.026333
  Br     -5.992691      9.254570      8.500799
  C      -6.255539      7.646829      6.152722
  C      -5.815586      2.021265      6.490209
  N      -6.857912      2.550355      7.064829
  C      -8.057233      1.836321      6.948812
  O      -8.116783      0.606469      6.868455
  C      -9.280814      2.694853      6.963115
  C      -9.205370      4.093250      7.055841
  C     -10.372308      4.855632      7.034767
  C     -11.621482      4.239972      6.925598
  C     -11.681034      2.847395      6.835964
  Br    -13.382978      1.996334      6.685721
  C     -10.531006      2.067767      6.852263
  H      -2.229594     -1.103788      6.866115
  H      -5.189311     -0.247537      1.945746
  H      -6.056875     -2.382092      0.973107
  H      -5.874104     -4.499492      2.260117
  H      -3.994848     -2.396916      5.512312
  H      -5.382661      3.781016      4.248941
  H      -8.831141      6.904732      4.047670
  H     -10.026519      8.439812      5.625696
  H      -8.801750      9.448318      7.546765
  H      -5.197549      7.432756      6.291493
  H      -5.914981      1.128994      5.855469
  H      -8.231083      4.571887      7.144692
  H     -10.311797      5.942241      7.104689
  H     -12.536668      4.831503      6.911229
  H     -10.576247      0.981530      6.780042
  N      -1.432875      2.115425      4.331832
  H      -0.584114      2.084727      3.756739
73
Coordinates from ORCA-job orca E -13783.468058669081
  N      -1.987124      1.058313      6.826840
  Mo     -2.894649      2.246984      5.277501
  N      -4.583229      2.575521      6.556561
  C      -4.425040      3.720200      7.460688
  C      -3.005650      3.692882      7.978893
  N      -2.014801      3.617466      6.844764
  C      -0.731413      3.010164      7.333664
  C      -0.962706      1.537901      7.721984
  C      -1.810111      4.988000      6.235514
  C      -2.227110      5.015432      4.758030
  N      -3.349810      4.101270      4.573477
  H      -0.028110      0.966868      7.614634
  H      -1.300050      1.432096      8.763936
  H      -0.012973      3.072229      6.507898
  H      -0.344337      3.589165      8.185617
  H      -2.515713      6.035159      4.466617
  H      -1.398860      4.673793      4.119708
  H      -2.428010      5.692910      6.805250
  H      -0.759014      5.282472      6.355516
  H      -5.129456      3.641281      8.301706
  H      -4.661444      4.667853      6.947317
  H      -2.879272      2.797983      8.597783
  H      -2.765936      4.572810      8.594773
  C      -2.488810     -0.088908      6.474476
  N      -3.409846      0.209624      5.527644
  C      -4.035644      0.044157      4.342337
  O      -4.171208      1.193160      3.776242
  C      -4.536222     -1.199233      3.792660
  C      -5.129289     -1.205084      2.516026
  C      -5.609283     -2.402292      1.996407
  C      -5.503739     -3.588241      2.730872
  C      -4.914394     -3.568164      3.999891
  Br     -4.778439     -5.175780      4.999995
  C      -4.430822     -2.384586      4.542839
  C      -4.609129      4.581993      4.384964
  N      -4.908810      5.838555      4.458019
  C      -6.226808      6.185883      4.104165
  O      -6.773443      5.780097      3.082623
  C      -6.908567      7.091939      5.076610
  C      -8.241489      7.462544      4.843346
  C      -8.913375      8.260817      5.765925
  C      -8.274287      8.692316      6.933527
  C      -6.949056      8.314912      7.152453
  Br     -6.062270      8.885399      8.746458
  C      -6.254399      7.528107      6.238859
  C      -5.823492      2.049675      6.464331
  N      -6.865901      2.579116      7.039049
  C      -8.059238      1.852890      6.947002
  O      -8.108190      0.621047      6.898788
  C      -9.291892      2.697745      6.956853
  C      -9.234471      4.098646      7.000662
  C     -10.411365      4.844560      6.971825
  C     -11.653281      4.209542      6.905353
  C     -11.695705      2.814068      6.867694
  Br    -13.390956      1.939843      6.777240
  C     -10.535181      2.050505      6.889925
  H      -2.235311     -1.083068      6.865930
  H      -5.205236     -0.275365      1.952906
  H      -6.074299     -2.423021      1.010609
  H      -5.882136     -4.525940      2.323092
  H      -3.999463     -2.379278      5.543163
  H      -5.371522      3.817186      4.178837
  H      -8.733508      7.108302      3.937698
  H      -9.948566      8.554719      5.583899
  H      -8.798117      9.313413      7.660279
  H      -5.216603      7.249307      6.415410
  H      -5.922176      1.153272      5.835678
  H      -8.264459      4.591389      7.056548
  H     -10.364111      5.933697      6.998201
  H     -12.576682      4.788162      6.883775
  H     -10.566547      0.961984      6.852885
  N      -1.426448      2.111543      4.328615
  H      -0.574168      2.077609      3.759943
73
Coordinates from ORCA-job orca E -13783.468090691649
  N      -1.992211      1.090054      6.828433
  Mo     -2.891530      2.257231      5.257610
  N      -4.582665      2.611790      6.528268
  C      -4.422056      3.765759      7.419157
  C      -3.003107      3.741051      7.940690
  N      -2.011816      3.647374      6.808688
  C      -0.730344      3.044105      7.307055
  C      -0.967177      1.579427      7.717847
  C      -1.804783      5.008974      6.181504
  C      -2.207516      5.010989      4.700802
  N      -3.335305      4.101908      4.521066
  H      -0.034606      1.002600      7.623021
  H      -1.308141      1.491867      8.760411
  H      -0.011146      3.092782      6.480729
  H      -0.341194      3.634058      8.150543
  H      -2.485582      6.027536      4.388328
  H      -1.375710      4.651383      4.077096
  H      -2.432949      5.719876      6.732261
  H      -0.756268      5.309875      6.307703
  H      -5.127040      3.698172      8.260581
  H      -4.656782      4.707704      6.895057
  H      -2.883465      2.853473      8.571138
  H      -2.761293      4.628228      8.544758
  C      -2.493120     -0.061504      6.488883
  N      -3.411658      0.227486      5.536781
  C      -4.037617      0.043992      4.355080
  O      -4.164095      1.185219      3.771814
  C      -4.543579     -1.205511      3.824048
  C      -5.138055     -1.229644      2.548053
  C      -5.621476     -2.433121      2.046976
  C      -5.518778     -3.608706      2.798325
  C      -4.928611     -3.570458      4.066371
  Br     -4.795855     -5.162733      5.091601
  C      -4.441170     -2.380188      4.590984
  C      -4.590700      4.596440      4.334875
  N      -4.877651      5.854008      4.432811
  C      -6.183782      6.236352      4.074066
  O      -6.697324      5.925611      3.003585
  C      -6.890493      7.058979      5.101134
  C      -8.194434      7.506501      4.840379
  C      -8.893374      8.216657      5.813629
  C      -8.313508      8.478709      7.059994
  C      -7.017387      8.024591      7.306021
  Br     -6.212270      8.357302      9.006715
  C      -6.294017      7.328635      6.342683
  C      -5.823878      2.086790      6.446503
  N      -6.863098      2.623619      7.019491
  C      -8.058603      1.900719      6.942182
  O      -8.109401      0.668960      6.892970
  C      -9.289417      2.747882      6.934464
  C      -9.228359      4.148888      6.946852
  C     -10.402768      4.897921      6.899753
  C     -11.646173      4.265143      6.847462
  C     -11.692692      2.868817      6.842366
  Br    -13.391679      1.999626      6.774070
  C     -10.534668      2.102378      6.881861
  H      -2.238012     -1.052313      6.888101
  H      -5.212113     -0.308239      1.971174
  H      -6.087179     -2.467043      1.061783
  H      -5.899275     -4.551526      2.404605
  H      -4.008914     -2.362182      5.590751
  H      -5.358934      3.841630      4.115689
  H      -8.642806      7.280893      3.873231
  H      -9.904718      8.572850      5.610501
  H      -8.860826      9.027496      7.826400
  H      -5.278526      6.989476      6.542733
  H      -5.927313      1.186208      5.824590
  H      -8.256430      4.639274      6.994503
  H     -10.353013      5.987631      6.901082
  H     -12.568000      4.845678      6.811731
  H     -10.569268      1.013444      6.868896
  N      -1.419934      2.100619      4.317495
  H      -0.565530      2.058045      3.752402
73
Coordinates from ORCA-job orca E -13783.468170641334
  N      -2.000837      1.084713      6.838050
  Mo     -2.890058      2.253114      5.261657
  N      -4.587757      2.607711      6.523734
  C      -4.432790      3.761310      7.414504
  C      -3.016987      3.739190      7.944485
  N      -2.019468      3.643249      6.817707
  C      -0.741843      3.039555      7.324947
  C      -0.979463      1.573198      7.732126
  C      -1.806747      5.005019      6.191566
  C      -2.201116      5.006997      4.708234
  N      -3.327761      4.098106      4.521886
  H      -0.046224      0.996888      7.640158
  H      -1.323817      1.484258      8.773643
  H      -0.016206      3.090535      6.504286
  H      -0.360628      3.629321      8.172083
  H      -2.476889      6.023740      4.394151
  H      -1.365585      4.647434      4.088943
  H      -2.436650      5.717524      6.737981
  H      -0.758519      5.303349      6.324617
  H      -5.143894      3.695206      8.250499
  H      -4.661618      4.702594      6.887027
  H      -2.898357      2.854184      8.578942
  H      -2.780030      4.628959      8.546491
  C      -2.501624     -0.065860      6.497358
  N      -3.414405      0.224174      5.538041
  C      -4.031739      0.042683      4.350977
  O      -4.150791      1.184261      3.767144
  C      -4.532345     -1.205327      3.811167
  C      -5.114375     -1.224848      2.530077
  C      -5.595568     -2.425612      2.021120
  C      -5.503684     -3.602961      2.770309
  C      -4.925439     -3.569601      4.043962
  Br     -4.807462     -5.165281      5.065195
  C      -4.439873     -2.382137      4.576416
  C      -4.581027      4.595304      4.327330
  N      -4.868926      5.852792      4.414024
  C      -6.173372      6.232930      4.052332
  O      -6.676253      5.932494      2.973933
  C      -6.880102      7.071711      5.066383
  C      -8.178309      7.524813      4.791029
  C      -8.882170      8.243836      5.753756
  C      -8.312583      8.509061      7.003709
  C      -7.021193      8.049950      7.264080
  Br     -6.228372      8.389908      8.968866
  C      -6.293487      7.345443      6.311182
  C      -5.827202      2.080084      6.438074
  N      -6.869461      2.611284      7.010191
  C      -8.064998      1.890382      6.914323
  O      -8.115224      0.659014      6.849362
  C      -9.297022      2.735474      6.949882
  C      -9.235700      4.135845      7.004906
  C     -10.411290      4.885452      7.001129
  C     -11.655444      4.253347      6.950002
  C     -11.701542      2.857725      6.900062
  Br    -13.399944      1.988088      6.833540
  C     -10.542975      2.091312      6.897142
  H      -2.251411     -1.056053      6.900279
  H      -5.181429     -0.301783      1.954997
  H      -6.051419     -2.455932      1.031234
  H      -5.883187     -4.543220      2.370248
  H      -4.016116     -2.367421      5.579907
  H      -5.348388      3.838825      4.110857
  H      -8.619692      7.294929      3.821323
  H      -9.890476      8.602012      5.540465
  H      -8.864161      9.064528      7.761881
  H      -5.281076      7.004961      6.520879
  H      -5.927514      1.182297      5.811312
  H      -8.263732      4.625723      7.053227
  H     -10.362595      5.974671      7.039485
  H     -12.577902      4.833784      6.949557
  H     -10.577872      1.003174      6.852923
  N      -1.413576      2.094919      4.329096
  H      -0.555478      2.050207      3.768805
73
Coordinates from ORCA-job orca E -13783.468149639273
  N      -2.001739      1.071707      6.848269
  Mo     -2.881481      2.250213      5.273610
  N      -4.582106      2.602605      6.532946
  C      -4.428131      3.751533      7.428109
  C      -3.014583      3.728148      7.962731
  N      -2.013885      3.632432      6.838246
  C      -0.740430      3.023543      7.349364
  C      -0.979651      1.552927      7.745481
  C      -1.793840      4.996804      6.218155
  C      -2.185222      5.006958      4.732978
  N      -3.311598      4.099349      4.539528
  H      -0.047108      0.976359      7.648539
  H      -1.322374      1.457274      8.787142
  H      -0.009371      3.080031      6.533886
  H      -0.365969      3.608614      8.202624
  H      -2.458994      6.025581      4.423168
  H      -1.348188      4.650348      4.113422
  H      -2.420517      5.710706      6.766054
  H      -0.744401      5.287962      6.355903
  H      -5.144328      3.686196      8.259345
  H      -4.648240      4.694486      6.900547
  H      -2.894736      2.844160      8.598842
  H      -2.780280      4.618763      8.564508
  C      -2.507053     -0.074996      6.503935
  N      -3.415949      0.221683      5.540215
  C      -4.030564      0.050440      4.349032
  O      -4.154065      1.196050      3.773780
  C      -4.529948     -1.192277      3.796411
  C      -5.110081     -1.197527      2.515338
  C      -5.594470     -2.391477      1.994204
  C      -5.508482     -3.575421      2.732578
  C      -4.931268     -3.556572      4.007122
  Br     -4.821449     -5.163124      5.011215
  C      -4.442010     -2.376243      4.551620
  C      -4.562941      4.596747      4.332386
  N      -4.855782      5.854076      4.384588
  C      -6.160959      6.217174      4.013219
  O      -6.674063      5.850349      2.960365
  C      -6.890658      7.053312      5.013516
  C      -8.214412      7.427639      4.746514
  C      -8.940358      8.139600      5.697493
  C      -8.365719      8.475534      6.927331
  C      -7.047337      8.095682      7.179198
  Br     -6.244312      8.539280      8.854936
  C      -6.299562      7.398988      6.237263
  C      -5.822122      2.079279      6.439706
  N      -6.864164      2.606959      7.015289
  C      -8.065408      1.898938      6.889509
  O      -8.125873      0.671162      6.775210
  C      -9.290182      2.752194      6.966671
  C      -9.213728      4.146928      7.103459
  C     -10.381967      4.907863      7.144438
  C     -11.632863      4.292475      7.055334
  C     -11.693182      2.902884      6.920410
  Br    -13.398288      2.053618      6.800255
  C     -10.542735      2.125833      6.874427
  H      -2.265758     -1.066036      6.908915
  H      -5.174164     -0.268895      1.948994
  H      -6.048593     -2.411094      1.003290
  H      -5.891822     -4.509663      2.322887
  H      -4.017652     -2.371570      5.555051
  H      -5.327108      3.834136      4.125557
  H      -8.658631      7.141495      3.792802
  H      -9.970787      8.432937      5.492353
  H      -8.934078      9.025819      7.676601
  H      -5.265923      7.125509      6.436838
  H      -5.924184      1.187504      5.804231
  H      -8.237721      4.623851      7.181546
  H     -10.323035      5.991961      7.251609
  H     -12.549255      4.881196      7.091058
  H     -10.589357      1.042229      6.769479
  N      -1.403000      2.091006      4.343827
  H      -0.542978      2.043381      3.785797
73
Coordinates from ORCA-job orca E -13783.468244636968
  N      -2.003831      1.079100      6.845794
  Mo     -2.885231      2.254396      5.269064
  N      -4.584285      2.612234      6.528644
  C      -4.427271      3.762272      7.423195
  C      -3.012943      3.736984      7.955063
  N      -2.014449      3.639345      6.829290
  C      -0.739550      3.031241      7.337940
  C      -0.979485      1.562261      7.739437
  C      -1.797833      5.002251      6.205263
  C      -2.184791      5.005502      4.719045
  N      -3.314271      4.100059      4.527206
  H      -0.047675      0.984575      7.642729
  H      -1.320997      1.470318      8.781776
  H      -0.011351      3.084027      6.519830
  H      -0.361046      3.618311      8.188127
  H      -2.454388      6.023257      4.403024
  H      -1.347496      4.642233      4.104295
  H      -2.430367      5.714685      6.748429
  H      -0.750264      5.299477      6.345588
  H      -5.141471      3.697984      8.256520
  H      -4.649157      4.705096      6.895869
  H      -2.894447      2.853026      8.591505
  H      -2.776195      4.627355      8.556571
  C      -2.508791     -0.068884      6.502053
  N      -3.418901      0.226963      5.541002
  C      -4.035372      0.051235      4.351884
  O      -4.157947      1.194969      3.772515
  C      -4.536884     -1.193504      3.806085
  C      -5.118704     -1.204494      2.525410
  C      -5.603623     -2.401055      2.010240
  C      -5.515640     -3.581976      2.753765
  C      -4.936772     -3.557279      4.027483
  Br     -4.823600     -5.159273      5.038795
  C      -4.447727     -2.374130      4.566245
  C      -4.565835      4.599915      4.323994
  N      -4.854205      5.857438      4.383570
  C      -6.156866      6.231646      4.013313
  O      -6.657099      5.909965      2.939864
  C      -6.881937      7.061878      5.021990
  C      -8.191535      7.477800      4.744833
  C      -8.913368      8.184877      5.702891
  C      -8.349588      8.473930      6.949881
  C      -7.045602      8.052930      7.211593
  Br     -6.259006      8.428281      8.911695
  C      -6.300853      7.361754      6.262705
  C      -5.823880      2.086473      6.441629
  N      -6.863444      2.610362      7.025784
  C      -8.060786      1.893011      6.918251
  O      -8.114226      0.666262      6.790735
  C      -9.290047      2.740993      6.974705
  C      -9.223150      4.136818      7.103108
  C     -10.395961      4.890870      7.124670
  C     -11.642082      4.268145      7.023479
  C     -11.693058      2.877420      6.898484
  Br    -13.392400      2.018572      6.762739
  C     -10.537701      2.106713      6.871583
  H      -2.263278     -1.060778      6.902766
  H      -5.183286     -0.278460      1.954894
  H      -6.059389     -2.425127      1.020166
  H      -5.898925     -4.518543      2.348882
  H      -4.023108     -2.365213      5.569507
  H      -5.331830      3.839968      4.113387
  H      -8.627932      7.227850      3.777615
  H      -9.931962      8.511958      5.489251
  H      -8.915343      9.019418      7.704899
  H      -5.277694      7.055488      6.471381
  H      -5.926608      1.193161      5.808649
  H      -8.250648      4.619716      7.189930
  H     -10.343782      5.975731      7.223430
  H     -12.562170      4.851989      7.042662
  H     -10.576585      1.022355      6.772115
  N      -1.407314      2.090825      4.339271
  H      -0.547929      2.042566      3.781215
73
Coordinates from ORCA-job orca E -13783.468181877790
  N      -2.010891      1.102092      6.848328
  Mo     -2.882332      2.262379      5.254692
  N      -4.586190      2.637991      6.503696
  C      -4.429309      3.795145      7.389590
  C      -3.016757      3.769212      7.927636
  N      -2.014714      3.659864      6.806730
  C      -0.742207      3.054366      7.324158
  C      -0.988486      1.591601      7.740698
  C      -1.795301      5.016343      6.171383
  C      -2.169001      5.003529      4.683057
  N      -3.301641      4.101818      4.492558
  H      -0.058324      1.009637      7.654721
  H      -1.335404      1.512240      8.782125
  H      -0.012009      3.096883      6.507176
  H      -0.363016      3.648370      8.169263
  H      -2.430720      6.019000      4.353129
  H      -1.328705      4.628527      4.080010
  H      -2.436516      5.731555      6.700819
  H      -0.750100      5.319282      6.318108
  H      -5.145985      3.739076      8.221491
  H      -4.649037      4.734262      6.854224
  H      -2.906196      2.889249      8.570762
  H      -2.778927      4.663071      8.523399
  C      -2.513722     -0.048811      6.511588
  N      -3.418321      0.239673      5.544098
  C      -4.031809      0.051511      4.356759
  O      -4.140845      1.189641      3.763868
  C      -4.538031     -1.197115      3.824011
  C      -5.114792     -1.221641      2.540578
  C      -5.601584     -2.422785      2.037703
  C      -5.520100     -3.595676      2.795206
  C      -4.946705     -3.557305      4.070975
  Br     -4.841991     -5.147231      5.102708
  C      -4.456115     -2.369324      4.597618
  C      -4.551068      4.608850      4.290974
  N      -4.831211      5.866825      4.371876
  C      -6.127547      6.263843      4.002116
  O      -6.604356      6.017631      2.898556
  C      -6.866878      7.033052      5.047741
  C      -8.158065      7.501603      4.765548
  C      -8.893794      8.148840      5.755131
  C      -8.364333      8.323494      7.038251
  C      -7.079523      7.849532      7.305033
  Br     -6.342324      8.061617      9.054908
  C      -6.319591      7.218723      6.326010
  C      -5.826844      2.114026      6.417628
  N      -6.867426      2.648117      6.991230
  C      -8.065278      1.931158      6.891985
  O      -8.121697      0.700706      6.812824
  C      -9.293752      2.780125      6.947783
  C      -9.226968      4.178817      7.033724
  C     -10.399826      4.932267      7.050050
  C     -11.646406      4.306070      6.987432
  C     -11.697911      2.912212      6.906877
  Br    -13.399656      2.050535      6.824417
  C     -10.542193      2.141861      6.884441
  H      -2.268412     -1.038797      6.918080
  H      -5.173380     -0.302207      1.958813
  H      -6.053432     -2.456879      1.046093
  H      -5.903945     -4.536215      2.399765
  H      -4.036071     -2.350717      5.602597
  H      -5.320988      3.855309      4.072218
  H      -8.568748      7.339998      3.769012
  H      -9.896587      8.519570      5.537136
  H      -8.942166      8.820567      7.817347
  H      -5.311451      6.868341      6.541722
  H      -5.930640      1.216274      5.791430
  H      -8.253263      4.664292      7.089721
  H     -10.347332      6.019915      7.111649
  H     -12.566806      4.889660      7.001902
  H     -10.581210      1.055124      6.816381
  N      -1.399332      2.085024      4.336258
  H      -0.536981      2.031927      3.783675
73
Coordinates from ORCA-job orca E -13783.468292704607
  N      -2.005521      1.085800      6.846144
  Mo     -2.885739      2.255540      5.264312
  N      -4.586299      2.614906      6.522163
  C      -4.430986      3.767235      7.414149
  C      -3.016909      3.743853      7.947601
  N      -2.017376      3.644792      6.823127
  C      -0.742110      3.039234      7.333593
  C      -0.981601      1.571639      7.738575
  C      -1.801755      5.006360      6.196413
  C      -2.184197      5.005422      4.709897
  N      -3.313680      4.100394      4.519905
  H      -0.049605      0.994047      7.643174
  H      -1.323185      1.482099      8.781040
  H      -0.013355      3.090852      6.515892
  H      -0.364423      3.628216      8.182848
  H      -2.452276      6.022512      4.390223
  H      -1.346056      4.639491      4.098079
  H      -2.438585      5.718028      6.735689
  H      -0.755503      5.307155      6.339374
  H      -5.145884      3.704714      8.247016
  H      -4.653399      4.708438      6.883903
  H      -2.898977      2.861319      8.586052
  H      -2.781266      4.635652      8.547390
  C      -2.507266     -0.063432      6.504713
  N      -3.415717      0.228350      5.540509
  C      -4.032764      0.048737      4.353094
  O      -4.150719      1.190920      3.769597
  C      -4.535521     -1.197216      3.811088
  C      -5.116244     -1.211880      2.529662
  C      -5.601515     -2.409841      2.017838
  C      -5.514726     -3.588636      2.765149
  C      -4.937063     -3.560150      4.039336
  Br     -4.825681     -5.159010      5.056033
  C      -4.447731     -2.375627      4.574745
  C      -4.565724      4.600796      4.319764
  N      -4.852665      5.858352      4.381026
  C      -6.156038      6.236485      4.016309
  O      -6.656747      5.927399      2.939388
  C      -6.879813      7.054629      5.035595
  C      -8.188945      7.477027      4.764695
  C      -8.907753      8.175285      5.731603
  C      -8.341708      8.448963      6.981142
  C      -7.038963      8.020431      7.237125
  Br     -6.251267      8.370175      8.942289
  C      -6.296969      7.337941      6.279462
  C      -5.825244      2.087844      6.434724
  N      -6.866585      2.616112      7.012453
  C      -8.064056      1.898935      6.903948
  O      -8.120063      0.670202      6.800391
  C      -9.292263      2.748472      6.960064
  C      -9.223867      4.145266      7.075376
  C     -10.395746      4.900357      7.094536
  C     -11.642720      4.278001      7.004393
  C     -11.695584      2.886290      6.892872
  Br    -13.396711      2.028552      6.770993
  C     -10.540920      2.114303      6.868338
  H      -2.261377     -1.054271      6.908207
  H      -5.179445     -0.287609      1.956142
  H      -6.056454     -2.436702      1.027448
  H      -5.898015     -4.526384      2.362840
  H      -4.023985     -2.363949      5.578309
  H      -5.332767      3.840878      4.112848
  H      -8.626649      7.240169      3.794901
  H      -9.925385      8.508435      5.522514
  H      -8.905207      8.987422      7.742959
  H      -5.274620      7.025455      6.484148
  H      -5.927428      1.193112      5.803843
  H      -8.250421      4.628112      7.152099
  H     -10.342317      5.986225      7.181029
  H     -12.562073      4.863061      7.021446
  H     -10.581107      1.029197      6.778307
  N      -1.406080      2.090254      4.337984
  H      -0.545857      2.042387      3.781366
73
Coordinates from ORCA-job orca E -13783.468297912004
  N      -2.013243      1.088452      6.851455
  Mo     -2.885614      2.258824      5.265040
  N      -4.588455      2.625640      6.516902
  C      -4.432549      3.778221      7.408334
  C      -3.020093      3.752129      7.945403
  N      -2.018501      3.648478      6.823268
  C      -0.746044      3.040722      7.338001
  C      -0.989648      1.573665      7.744848
  C      -1.799201      5.008492      6.193845
  C      -2.174661      5.003150      4.704966
  N      -3.306756      4.100902      4.511804
  H      -0.058644      0.994111      7.651733
  H      -1.332979      1.486526      8.786959
  H      -0.015035      3.089174      6.522115
  H      -0.369426      3.630415      8.187223
  H      -2.437577      6.019939      4.380091
  H      -1.334672      4.631915      4.098911
  H      -2.438740      5.721869      6.727585
  H      -0.753712      5.309552      6.341825
  H      -5.150322      3.718652      8.238860
  H      -4.650420      4.719397      6.876301
  H      -2.905263      2.870831      8.586167
  H      -2.783971      4.644557      8.544133
  C      -2.517509     -0.060392      6.508637
  N      -3.423312      0.233734      5.543478
  C      -4.036065      0.053914      4.353559
  O      -4.154132      1.195942      3.769682
  C      -4.538637     -1.191986      3.811178
  C      -5.115729     -1.206953      2.528249
  C      -5.600856     -2.404784      2.015967
  C      -5.517451     -3.582953      2.764516
  C      -4.943301     -3.554220      4.040275
  Br     -4.836348     -5.152575      5.058131
  C      -4.454279     -2.369788      4.576185
  C      -4.556934      4.605002      4.307129
  N      -4.839940      5.863227      4.364392
  C      -6.140948      6.247337      3.999253
  O      -6.638390      5.949565      2.917791
  C      -6.868079      7.053732      5.025692
  C      -8.178498      7.473738      4.757933
  C      -8.900988      8.158788      5.731514
  C      -8.337212      8.421386      6.984423
  C      -7.032882      7.995861      7.236977
  Br     -6.247374      8.332193      8.945833
  C      -6.287422      7.326550      6.272844
  C      -5.826972      2.097288      6.431470
  N      -6.868321      2.623589      7.010921
  C      -8.064010      1.903139      6.905659
  O      -8.116069      0.674499      6.798924
  C      -9.295073      2.748622      6.964929
  C      -9.231447      4.145646      7.081587
  C     -10.406225      4.896310      7.104546
  C     -11.651250      4.269401      7.017249
  C     -11.699167      2.877694      6.904242
  Br    -13.397049      2.012995      6.787096
  C     -10.541631      2.110133      6.875688
  H      -2.274085     -1.052514      6.910363
  H      -5.176244     -0.283126      1.953739
  H      -6.053002     -2.431995      1.024316
  H      -5.900702     -4.520560      2.361890
  H      -4.033492     -2.357585      5.580994
  H      -5.325574      3.846369      4.101365
  H      -8.614565      7.244907      3.785457
  H      -9.919889      8.489620      5.525056
  H      -8.903533      8.949554      7.751291
  H      -5.263859      7.016739      6.475104
  H      -5.928633      1.202226      5.800985
  H      -8.259831      4.632261      7.157109
  H     -10.356408      5.982299      7.192781
  H     -12.572813      4.850881      7.037823
  H     -10.577969      1.024907      6.785082
  N      -1.403109      2.086719      4.344339
  H      -0.540438      2.034566      3.791784
73
Coordinates from ORCA-job orca E -13783.468307139734
  N      -2.015333      1.091560      6.851609
  Mo     -2.886485      2.259908      5.262592
  N      -4.589795      2.627518      6.514255
  C      -4.434262      3.780242      7.405525
  C      -3.021786      3.754653      7.942954
  N      -2.019982      3.650762      6.821111
  C      -0.747505      3.043672      7.336286
  C      -0.991142      1.577099      7.743934
  C      -1.800597      5.010500      6.191424
  C      -2.172356      5.003912      4.702238
  N      -3.304721      4.102664      4.509177
  H      -0.060334      0.997270      7.650411
  H      -1.333717      1.490647      8.786346
  H      -0.016149      3.092098      6.520710
  H      -0.371309      3.633641      8.185529
  H      -2.433426      6.020660      4.375627
  H      -1.331737      4.630996      4.098152
  H      -2.442792      5.723163      6.722954
  H      -0.755946      5.313200      6.342004
  H      -5.152298      3.721051      8.235828
  H      -4.652054      4.721148      6.873004
  H      -2.907032      2.873800      8.584318
  H      -2.786022      4.647536      8.541147
  C      -2.518147     -0.057344      6.509955
  N      -3.422952      0.234965      5.542458
  C      -4.036199      0.053281      4.353249
  O      -4.152191      1.194176      3.766451
  C      -4.539215     -1.193268      3.812815
  C      -5.115494     -1.210126      2.529472
  C      -5.600926     -2.408576      2.018905
  C      -5.518639     -3.585539      2.769507
  C      -4.945350     -3.554872      4.045621
  Br     -4.840114     -5.151545      5.066330
  C      -4.455961     -2.369834      4.579804
  C      -4.554566      4.608082      4.304514
  N      -4.836069      5.866506      4.359914
  C      -6.136782      6.252754      3.996106
  O      -6.632736      5.961957      2.912114
  C      -6.864695      7.053184      5.026583
  C      -8.175879      7.472547      4.761391
  C      -8.898905      8.151781      5.738657
  C      -8.334906      8.409256      6.992549
  C      -7.029774      7.984640      7.242452
  Br     -6.243689      8.314578      8.952310
  C      -6.283811      7.320999      6.274755
  C      -5.828015      2.098587      6.429174
  N      -6.869464      2.624942      7.008839
  C      -8.065050      1.904245      6.903099
  O      -8.117376      0.675855      6.794377
  C      -9.296128      2.749762      6.962913
  C      -9.232647      4.146443      7.083603
  C     -10.407349      4.897076      7.107319
  C     -11.652285      4.270592      7.016468
  C     -11.700195      2.879230      6.899216
  Br    -13.398081      2.015274      6.776448
  C     -10.542656      2.111646      6.870112
  H      -2.275214     -1.048932      6.913336
  H      -5.175078     -0.287242      1.953348
  H      -6.052411     -2.437224      1.026990
  H      -5.902081     -4.523632      2.368182
  H      -4.035745     -2.356126      5.584833
  H      -5.323872      3.849703      4.100387
  H      -8.612078      7.247507      3.788120
  H      -9.918434      8.482025      5.534321
  H      -8.901618      8.933067      7.762118
  H      -5.259639      7.011811      6.475161
  H      -5.929926      1.203188      5.799264
  H      -8.261080      4.632788      7.161513
  H     -10.357717      5.982840      7.198599
  H     -12.573767      4.852176      7.037541
  H     -10.579004      1.026711      6.776193
  N      -1.402910      2.086191      4.344045
  H      -0.539571      2.033711      3.792631
73
Coordinates from ORCA-job orca E -13783.468314387797
  N      -2.019552      1.094959      6.854388
  Mo     -2.888331      2.261150      5.261614
  N      -4.592231      2.629842      6.512703
  C      -4.437565      3.783555      7.402766
  C      -3.025298      3.758972      7.941085
  N      -2.023174      3.653907      6.819779
  C      -0.750688      3.047681      7.335799
  C      -0.994054      1.581332      7.744742
  C      -1.804417      5.012977      6.188473
  C      -2.170810      5.002749      4.698294
  N      -3.304228      4.102828      4.505716
  H      -0.063430      1.001424      7.649848
  H      -1.334775      1.495642      8.787796
  H      -0.018786      3.095865      6.520720
  H      -0.375170      3.638216      8.184973
  H      -2.428851      6.019002      4.367681
  H      -1.329134      4.626304      4.097987
  H      -2.451314      5.724549      6.715806
  H      -0.761364      5.319214      6.343177
  H      -5.156445      3.725835      8.232418
  H      -4.654777      4.723598      6.868432
  H      -2.910576      2.879310      8.584063
  H      -2.790219      4.652937      8.537962
  C      -2.520617     -0.054589      6.512541
  N      -3.423469      0.236375      5.542957
  C      -4.037003      0.053810      4.354604
  O      -4.149598      1.194351      3.766289
  C      -4.540785     -1.192732      3.814709
  C      -5.115177     -1.210161      2.530429
  C      -5.600929     -2.408658      2.020136
  C      -5.520702     -3.585084      2.771871
  C      -4.949341     -3.553788      4.048840
  Br     -4.847078     -5.149754      5.071047
  C      -4.459692     -2.368741      4.582730
  C      -4.554051      4.609379      4.301513
  N      -4.833077      5.868237      4.351432
  C      -6.134202      6.257483      3.992004
  O      -6.631240      5.974950      2.906404
  C      -6.859031      7.053419      5.028124
  C      -8.173860      7.467280      4.771914
  C      -8.893016      8.143336      5.754301
  C      -8.321175      8.403956      7.004052
  C      -7.012472      7.985120      7.244901
  Br     -6.215857      8.318889      8.949164
  C      -6.270603      7.323894      6.272288
  C      -5.829501      2.098733      6.429018
  N      -6.871716      2.625054      7.007873
  C      -8.066105      1.902026      6.902824
  O      -8.117270      0.673273      6.798894
  C      -9.298276      2.746174      6.960690
  C      -9.236874      4.142975      7.080503
  C     -10.412478      4.892056      7.101804
  C     -11.656471      4.264137      7.009045
  C     -11.702491      2.872619      6.892766
  Br    -13.399130      2.006661      6.766470
  C     -10.543874      2.106461      6.866379
  H      -2.278046     -1.046572      6.915305
  H      -5.172953     -0.287724      1.953421
  H      -6.050939     -2.437769      1.027558
  H      -5.904251     -4.523246      2.370714
  H      -4.040931     -2.354433      5.588348
  H      -5.324503      3.850797      4.102463
  H      -8.615586      7.240703      3.801565
  H      -9.915386      8.469120      5.557040
  H      -8.884701      8.925697      7.777420
  H      -5.243814      7.018803      6.465981
  H      -5.930949      1.202379      5.800494
  H      -8.266015      4.630663      7.158896
  H     -10.364439      5.977997      7.191916
  H     -12.578601      4.844802      7.027869
  H     -10.578712      1.021452      6.772878
  N      -1.402878      2.084707      4.346766
  H      -0.538115      2.031152      3.797823
73
Coordinates from ORCA-job orca E -13783.468316623610
  N      -2.023002      1.097826      6.856175
  Mo     -2.888694      2.262756      5.260180
  N      -4.593687      2.632797      6.509724
  C      -4.439787      3.786809      7.399441
  C      -3.028015      3.762433      7.939284
  N      -2.024992      3.656505      6.818933
  C      -0.753101      3.050427      7.336338
  C      -0.996991      1.584307      7.745837
  C      -1.805582      5.015151      6.187094
  C      -2.166993      5.002788      4.695970
  N      -3.301139      4.104165      4.502449
  H      -0.066667      1.003997      7.650699
  H      -1.337180      1.499237      8.789093
  H      -0.020286      3.098383      6.522083
  H      -0.378427      3.641149      8.185759
  H      -2.422332      6.018822      4.362570
  H      -1.324168      4.623834      4.098899
  H      -2.455722      5.726216      6.711117
  H      -0.763622      5.323230      6.345514
  H      -5.159743      3.729914      8.228198
  H      -4.655990      4.726583      6.864204
  H      -2.914045      2.883291      8.583120
  H      -2.793504      4.656905      8.535630
  C      -2.522717     -0.051879      6.513813
  N      -3.424389      0.238354      5.542628
  C      -4.038577      0.055032      4.354770
  O      -4.153481      1.195369      3.766151
  C      -4.543133     -1.191788      3.816312
  C      -5.119201     -1.210023      2.532786
  C      -5.605307     -2.408896      2.023746
  C      -5.523898     -3.584910      2.775996
  C      -4.950988     -3.552770      4.052251
  Br     -4.847217     -5.148165      5.075222
  C      -4.460900     -2.367351      4.584873
  C      -4.550275      4.612529      4.297064
  N      -4.826989      5.871762      4.344725
  C      -6.127364      6.264362      3.986352
  O      -6.623016      5.989543      2.898234
  C      -6.852424      7.054428      5.026790
  C      -8.169041      7.465102      4.774666
  C      -8.888311      8.135381      5.760925
  C      -8.314674      8.393753      7.010317
  C      -7.004093      7.978400      7.246951
  Br     -6.204766      8.309027      8.950538
  C      -6.262260      7.322640      6.270629
  C      -5.830458      2.100643      6.426211
  N      -6.873267      2.626085      7.004959
  C      -8.066832      1.901675      6.899408
  O      -8.116617      0.672959      6.794398
  C      -9.300089      2.744220      6.958677
  C      -9.240529      4.140815      7.081391
  C     -10.417072      4.888378      7.104144
  C     -11.660258      4.259118      7.009854
  C     -11.704487      2.867772      6.890563
  Br    -13.400020      1.999930      6.762015
  C     -10.544888      2.103158      6.862836
  H      -2.280930     -1.044056      6.916540
  H      -5.177842     -0.287909      1.955351
  H      -6.056510     -2.438641      1.031729
  H      -5.907703     -4.523369      2.375790
  H      -4.040825     -2.352337      5.589937
  H      -5.321743      3.854608      4.099477
  H      -8.611973      7.240610      3.804384
  H      -9.912204      8.458388      5.566955
  H      -8.878299      8.911005      7.786618
  H      -5.234204      7.020031      6.461314
  H      -5.931385      1.204015      5.797992
  H      -8.270282      4.629511      7.160940
  H     -10.370546      5.974196      7.196714
  H     -12.583071      4.838642      7.029761
  H     -10.578382      1.018279      6.767162
  N      -1.401219      2.083722      4.349154
  H      -0.534847      2.028647      3.802873
73
Coordinates from ORCA-job orca E -13783.468318249204
  N      -2.028606      1.099422      6.859535
  Mo     -2.889336      2.264504      5.260241
  N      -4.595461      2.637823      6.507141
  C      -4.441523      3.792103      7.396361
  C      -3.030590      3.766488      7.938286
  N      -2.026390      3.658392      6.819207
  C      -0.756043      3.051040      7.338788
  C      -1.002244      1.585292      7.749231
  C      -1.804928      5.016287      6.186364
  C      -2.161957      5.001664      4.694038
  N      -3.297530      4.104823      4.498803
  H      -0.072656      1.003651      7.654923
  H      -1.342923      1.501557      8.792461
  H      -0.021986      3.097491      6.525549
  H      -0.381870      3.641944      8.188308
  H      -2.414106      6.017529      4.357685
  H      -1.318105      4.619676      4.100341
  H      -2.456985      5.727981      6.707135
  H      -0.763596      5.324811      6.348035
  H      -5.162980      3.736770      8.223888
  H      -4.655442      4.731802      6.860103
  H      -2.918416      2.887777      8.583058
  H      -2.795888      4.661217      8.534161
  C      -2.528928     -0.050074      6.516110
  N      -3.427936      0.240964      5.543003
  C      -4.039879      0.057500      4.353959
  O      -4.150478      1.197153      3.763033
  C      -4.544603     -1.189173      3.815269
  C      -5.116341     -1.208099      2.529875
  C      -5.602570     -2.406832      2.020667
  C      -5.525534     -3.582035      2.774601
  C      -4.956874     -3.549237      4.052730
  Br     -4.858970     -5.143549      5.077937
  C      -4.466746     -2.363921      4.585552
  C      -4.545409      4.615713      4.290780
  N      -4.819057      5.875541      4.336559
  C      -6.117770      6.272460      3.977294
  O      -6.611916      6.003013      2.887264
  C      -6.844216      7.056700      5.021228
  C      -8.162636      7.463160      4.772002
  C      -8.883251      8.127513      5.761275
  C      -8.309125      8.384236      7.010748
  C      -6.996593      7.973372      7.244332
  Br     -6.196053      8.301989      8.947720
  C      -6.253536      7.323458      6.265110
  C      -5.831994      2.104980      6.424453
  N      -6.875018      2.628967      7.004037
  C      -8.067299      1.902266      6.900181
  O      -8.114223      0.673526      6.793729
  C      -9.302611      2.741630      6.961978
  C      -9.246513      4.138322      7.085283
  C     -10.425062      4.882734      7.110761
  C     -11.666778      4.250175      7.018704
  C     -11.707475      2.858768      6.898796
  Br    -13.400810      1.986269      6.773694
  C     -10.545904      2.097310      6.868337
  H      -2.288918     -1.043070      6.917842
  H      -5.171594     -0.286603      1.951107
  H      -6.050438     -2.437110      1.027152
  H      -5.909405     -4.520382      2.374236
  H      -4.050027     -2.348262      5.592006
  H      -5.318180      3.859147      4.093155
  H      -8.605877      7.240204      3.801477
  H      -9.908683      8.446960      5.569609
  H      -8.873842      8.896721      7.789384
  H      -5.224084      7.024416      6.453578
  H      -5.932431      1.208014      5.796627
  H      -8.277428      4.629553      7.163550
  H     -10.381270      5.968592      7.204288
  H     -12.591100      4.827189      7.040805
  H     -10.576699      1.012379      6.772424
  N      -1.399855      2.081475      4.353219
  H      -0.531673      2.023451      3.810094
73
Coordinates from ORCA-job orca E -13783.468320187514
  N      -2.027112      1.098294      6.859635
  Mo     -2.888509      2.263813      5.261001
  N      -4.594321      2.635829      6.508711
  C      -4.440505      3.789997      7.398054
  C      -3.029435      3.764722      7.939599
  N      -2.025483      3.657371      6.820148
  C      -0.754860      3.050089      7.339174
  C      -1.000510      1.584078      7.749153
  C      -1.804522      5.015580      6.187827
  C      -2.163147      5.001790      4.695753
  N      -3.298174      4.104167      4.500605
  H      -0.070834      1.002652      7.654390
  H      -1.340807      1.499920      8.792486
  H      -0.021071      3.097041      6.525712
  H      -0.380571      3.640823      8.188755
  H      -2.416454      6.017667      4.360359
  H      -1.319480      4.620996      4.100992
  H      -2.455718      5.727219      6.709739
  H      -0.762924      5.323713      6.348460
  H      -5.161661      3.734213      8.225818
  H      -4.654824      4.729765      6.862095
  H      -2.916806      2.885695      8.583868
  H      -2.794826      4.659279      8.535733
  C      -2.527149     -0.051274      6.515679
  N      -3.426360      0.239938      5.542926
  C      -4.039228      0.057486      4.354283
  O      -4.150750      1.197818      3.764979
  C      -4.544524     -1.188662      3.814883
  C      -5.117845     -1.206378      2.530211
  C      -5.604667     -2.404619      2.020452
  C      -5.526737     -3.580554      2.773136
  C      -4.956504     -3.548976      4.050591
  Br     -4.857313     -5.144246      5.074183
  C      -4.465740     -2.364162      4.583952
  C      -4.546327      4.614150      4.292558
  N      -4.821271      5.873765      4.339461
  C      -6.120507      6.268696      3.979596
  O      -6.614819      5.996471      2.890309
  C      -6.846868      7.055692      5.021496
  C      -8.165878      7.459870      4.771750
  C      -8.886596      8.126865      5.759148
  C      -8.311979      8.388548      7.007357
  C      -6.998828      7.979898      7.241468
  Br     -6.197507      8.315203      8.943169
  C      -6.255672      7.327410      6.264061
  C      -5.831039      2.103521      6.425332
  N      -6.874060      2.627637      7.004590
  C      -8.066743      1.901752      6.899846
  O      -8.114213      0.673049      6.792656
  C      -9.301563      2.741702      6.961695
  C      -9.244497      4.138322      7.085290
  C     -10.422525      4.883612      7.110644
  C     -11.664638      4.251893      7.018218
  C     -11.706269      2.860491      6.898144
  Br    -13.400174      1.989203      6.772740
  C     -10.545266      2.098203      6.867776
  H      -2.286857     -1.044382      6.916961
  H      -5.173878     -0.284316      1.952422
  H      -6.053738     -2.433943      1.027447
  H      -5.911108     -4.518511      2.372335
  H      -4.047735     -2.349494      5.589886
  H      -5.318510      3.857266      4.093851
  H      -8.609509      7.233176      3.802270
  H      -9.912504      8.444492      5.567049
  H      -8.876762      8.903085      7.784587
  H      -5.225729      7.030265      6.452750
  H      -5.931453      1.206828      5.797064
  H      -8.275048      4.628759      7.163871
  H     -10.378039      5.969415      7.204464
  H     -12.588574      4.829553      7.040138
  H     -10.576815      1.013312      6.771726
  N      -1.399250      2.081624      4.353409
  H      -0.531050      2.023350      3.810320
73
Coordinates from ORCA-job orca E -13783.468322885490
  N      -2.026143      1.097549      6.860135
  Mo     -2.887347      2.263195      5.261229
  N      -4.593268      2.633560      6.509206
  C      -4.440191      3.788195      7.398131
  C      -3.029219      3.763518      7.940005
  N      -2.024778      3.656655      6.820785
  C      -0.754152      3.049412      7.339925
  C      -0.999495      1.583304      7.749636
  C      -1.803754      5.014964      6.188950
  C      -2.164244      5.002218      4.697231
  N      -3.298496      4.103587      4.502151
  H      -0.069812      1.001899      7.655006
  H      -1.339840      1.499086      8.792962
  H      -0.020357      3.096618      6.526485
  H      -0.379928      3.640134      8.189540
  H      -2.419107      6.018078      4.363071
  H      -1.320796      4.622977      4.101121
  H      -2.453438      5.726980      6.712233
  H      -0.761645      5.322088      6.348139
  H      -5.161256      3.732073      8.225985
  H      -4.654975      4.727824      6.862046
  H      -2.916627      2.884176      8.583831
  H      -2.794921      4.657970      8.536373
  C      -2.525086     -0.052154      6.515210
  N      -3.423877      0.238839      5.542052
  C      -4.038255      0.057489      4.354123
  O      -4.150431      1.198424      3.766173
  C      -4.544842     -1.188036      3.814530
  C      -5.120569     -1.204650      2.530945
  C      -5.608690     -2.402356      2.021230
  C      -5.529745     -3.578910      2.772851
  C      -4.957097     -3.548451      4.049252
  Br     -4.856363     -5.144439      5.071585
  C      -4.465001     -2.364164      4.582577
  C      -4.546913      4.612612      4.294443
  N      -4.823481      5.871928      4.345089
  C      -6.123651      6.264297      3.985149
  O      -6.619681      5.986904      2.897929
  C      -6.848528      7.055840      5.024590
  C      -8.168591      7.456971      4.775428
  C      -8.888069      8.128738      5.760464
  C      -8.311157      8.398341      7.005912
  C      -6.997004      7.992497      7.239508
  Br     -6.192417      8.338441      8.937541
  C      -6.255080      7.335202      6.264391
  C      -5.830025      2.101480      6.424671
  N      -6.873536      2.625548      7.002744
  C      -8.066143      1.899685      6.897672
  O      -8.113277      0.670822      6.790970
  C      -9.301039      2.739254      6.959244
  C      -9.243966      4.136013      7.080992
  C     -10.422016      4.881332      7.105892
  C     -11.664081      4.249315      7.014975
  C     -11.705669      2.857707      6.896929
  Br    -13.399644      1.986253      6.773954
  C     -10.544703      2.095419      6.866899
  H      -2.284541     -1.045318      6.916190
  H      -5.177471     -0.282124      1.953982
  H      -6.059632     -2.430791      1.029045
  H      -5.915175     -4.516451      2.372092
  H      -4.045074     -2.350464      5.587719
  H      -5.318518      3.855811      4.093164
  H      -8.614043      7.224388      3.808176
  H      -9.914753      8.444054      5.568701
  H      -8.874887      8.916680      7.781376
  H      -5.224323      7.040379      6.452377
  H      -5.929593      1.204672      5.796355
  H      -8.274399      4.626384      7.158488
  H     -10.377608      5.967238      7.198228
  H     -12.588076      4.826911      7.036433
  H     -10.576226      1.010410      6.772276
  N      -1.397699      2.081640      4.354102
  H      -0.528734      2.021852      3.812396
73
Coordinates from ORCA-job orca E -13783.468324623385
  N      -2.026001      1.097446      6.861145
  Mo     -2.885901      2.263395      5.261324
  N      -4.592015      2.632888      6.509519
  C      -4.439253      3.787395      7.398677
  C      -3.028353      3.762851      7.940723
  N      -2.023722      3.656457      6.821570
  C      -0.753269      3.048981      7.340811
  C      -0.998861      1.582819      7.750321
  C      -1.802630      5.014894      6.190183
  C      -2.163481      5.002759      4.698472
  N      -3.297288      4.103623      4.502616
  H      -0.069420      1.001061      7.655522
  H      -1.338970      1.498740      8.793758
  H      -0.019351      3.096274      6.527477
  H      -0.379087      3.639560      8.190547
  H      -2.418924      6.018645      4.364857
  H      -1.319878      4.624283      4.102092
  H      -2.451796      5.727025      6.713947
  H      -0.760342      5.321591      6.348989
  H      -5.160273      3.730881      8.226542
  H      -4.654131      4.727096      6.862817
  H      -2.915802      2.883217      8.584167
  H      -2.794181      4.657141      8.537343
  C      -2.524058     -0.052268      6.514998
  N      -3.421615      0.238753      5.540753
  C      -4.037407      0.058332      4.353497
  O      -4.149019      1.199513      3.765762
  C      -4.545621     -1.186555      3.814025
  C      -5.123214     -1.202221      2.531278
  C      -5.612988     -2.399337      2.021795
  C      -5.533890     -3.576266      2.772805
  C      -4.959342     -3.546759      4.048377
  Br     -4.858266     -5.143218      5.069937
  C      -4.465555     -2.363071      4.581472
  C      -4.545754      4.612152      4.294368
  N      -4.823576      5.871191      4.347455
  C      -6.124114      6.261733      3.986444
  O      -6.619726      5.982127      2.899591
  C      -6.849764      7.054454      5.024399
  C      -8.170616      7.452659      4.774699
  C      -8.891145      8.125114      5.758474
  C      -8.314487      8.398385      7.003233
  C      -6.999480      7.995568      7.237310
  Br     -6.194998      8.346915      8.934292
  C      -6.256518      7.337570      6.263468
  C      -5.828746      2.100897      6.424464
  N      -6.872437      2.624880      7.002192
  C      -8.065130      1.899326      6.896551
  O      -8.112425      0.670516      6.788637
  C      -9.299899      2.738898      6.958866
  C      -9.242470      4.135601      7.081215
  C     -10.420328      4.881215      7.106687
  C     -11.662521      4.249472      7.015781
  C     -11.704460      2.857904      6.897167
  Br    -13.398705      1.987023      6.774221
  C     -10.543717      2.095319      6.866526
  H      -2.283612     -1.045758      6.915228
  H      -5.180274     -0.279412      1.954778
  H      -6.065378     -2.427014      1.030247
  H      -5.920637     -4.513336      2.372226
  H      -4.044041     -2.350181      5.585963
  H      -5.316643      3.855378      4.090262
  H      -8.615959      7.217130      3.808110
  H      -9.918464      8.438091      5.566295
  H      -8.878976      8.917350      7.777715
  H      -5.225125      7.045108      6.451683
  H      -5.928037      1.204257      5.795839
  H      -8.272697      4.625572      7.158665
  H     -10.375704      5.967082      7.199451
  H     -12.586405      4.827239      7.037639
  H     -10.575509      1.010378      6.771365
  N      -1.395464      2.081382      4.355583
  H      -0.525330      2.019409      3.815989
73
Coordinates from ORCA-job orca E -13783.468327740084
  N      -2.027802      1.098646      6.863105
  Mo     -2.884512      2.264382      5.260706
  N      -4.591673      2.634277      6.507501
  C      -4.439686      3.789304      7.396192
  C      -3.029311      3.764825      7.939601
  N      -2.023522      3.657518      6.821537
  C      -0.753955      3.049637      7.342443
  C      -1.000755      1.583794      7.752457
  C      -1.801120      5.015484      6.189724
  C      -2.160882      5.003180      4.697786
  N      -3.294581      4.104090      4.500825
  H      -0.071678      1.001309      7.658578
  H      -1.341511      1.500663      8.795782
  H      -0.019112      3.096150      6.529901
  H      -0.380419      3.640451      8.192309
  H      -2.416082      6.019058      4.363962
  H      -1.316904      4.624553      4.102054
  H      -2.449928      5.728370      6.712897
  H      -0.758645      5.321407      6.348818
  H      -5.161431      3.733218      8.223448
  H      -4.653932      4.728719      6.859573
  H      -2.917584      2.885607      8.583736
  H      -2.795482      4.659450      8.535857
  C      -2.524744     -0.051016      6.515756
  N      -3.420115      0.239851      5.539396
  C      -4.036856      0.059862      4.352729
  O      -4.146816      1.201041      3.764525
  C      -4.547151     -1.184431      3.813868
  C      -5.126263     -1.199385      2.531789
  C      -5.618143     -2.395908      2.022898
  C      -5.539585     -3.572914      2.773844
  C      -4.963452     -3.544114      4.048726
  Br     -4.863036     -5.140714      5.070114
  C      -4.467586     -2.361031      4.581236
  C      -4.542896      4.612756      4.292205
  N      -4.821292      5.871589      4.347985
  C      -6.122196      6.261201      3.986952
  O      -6.618377      5.979747      2.900824
  C      -6.847960      7.054018      5.024728
  C      -8.169262      7.451025      4.775334
  C      -8.889996      8.123250      5.759120
  C      -8.313064      8.397455      7.003558
  C      -6.997608      7.995932      7.237299
  Br     -6.192808      8.348990      8.933783
  C      -6.254423      7.338134      6.263470
  C      -5.827863      2.101083      6.422895
  N      -6.872023      2.624597      7.000313
  C      -8.063974      1.897789      6.895718
  O      -8.110245      0.668883      6.788237
  C      -9.299564      2.736127      6.958362
  C      -9.243417      4.133034      7.079385
  C     -10.421981      4.877466      7.105167
  C     -11.663614      4.244408      7.015936
  C     -11.704294      2.852705      6.898635
  Br    -13.397795      1.980120      6.777809
  C     -10.542809      2.091216      6.867646
  H      -2.284830     -1.044768      6.915659
  H      -5.182860     -0.276528      1.955324
  H      -6.071773     -2.423034      1.031901
  H      -5.928006     -4.509506      2.373754
  H      -4.044780     -2.348715      5.585185
  H      -5.313409      3.856241      4.085641
  H      -8.614852      7.214637      3.809084
  H      -9.917625      8.435349      5.567196
  H      -8.877649      8.916311      7.778055
  H      -5.222700      7.046504      6.451354
  H      -5.926305      1.203902      5.794927
  H      -8.274039      4.624015      7.155473
  H     -10.378325      5.963478      7.196741
  H     -12.588084      4.821228      7.038116
  H     -10.573563      1.006181      6.773343
  N      -1.392396      2.080528      4.358136
  H      -0.520263      2.014834      3.822273
73
Coordinates from ORCA-job orca E -13783.468329615440
  N      -2.028809      1.099373      6.864316
  Mo     -2.883056      2.265553      5.260417
  N      -4.590978      2.635674      6.506362
  C      -4.439280      3.790675      7.395197
  C      -3.029262      3.765998      7.939389
  N      -2.022898      3.658150      6.821962
  C      -0.753993      3.049800      7.343956
  C      -1.001889      1.584080      7.754000
  C      -1.799626      5.015942      6.189981
  C      -2.158358      5.003836      4.697801
  N      -3.291989      4.104873      4.499470
  H      -0.073079      1.001085      7.660584
  H      -1.343129      1.501373      8.797206
  H      -0.018405      3.095845      6.532073
  H      -0.381009      3.640534      8.194124
  H      -2.413253      6.019843      4.364083
  H      -1.314024      4.625178      4.102629
  H      -2.448353      5.729161      6.712796
  H      -0.757061      5.321399      6.349447
  H      -5.161617      3.734836      8.221927
  H      -4.652852      4.730017      6.858228
  H      -2.917920      2.887209      8.584169
  H      -2.795651      4.660864      8.535402
  C      -2.525312     -0.050086      6.515876
  N      -3.418814      0.241165      5.537913
  C      -4.036447      0.061541      4.351742
  O      -4.144884      1.202620      3.762813
  C      -4.548470     -1.182276      3.813441
  C      -5.129057     -1.196458      2.531996
  C      -5.622731     -2.392447      2.023504
  C      -5.544400     -3.569590      2.774255
  C      -4.966729     -3.541538      4.048470
  Br     -4.866679     -5.138451      5.069377
  C      -4.469095     -2.359020      4.580569
  C      -4.540343      4.613277      4.290299
  N      -4.819482      5.871902      4.346870
  C      -6.120610      6.260414      3.985247
  O      -6.616095      5.978200      2.898969
  C      -6.847811      7.052389      5.022627
  C      -8.168738      7.449831      4.771856
  C      -8.890770      8.120804      5.755573
  C      -8.315476      8.393196      7.001176
  C      -7.000398      7.991325      7.236293
  Br     -6.198187      8.342149      8.934448
  C      -6.255898      7.334827      6.262561
  C      -5.826655      2.101278      6.422827
  N      -6.870856      2.624432      7.000813
  C      -8.062485      1.897101      6.896586
  O      -8.108684      0.668264      6.788894
  C      -9.298310      2.735257      6.959820
  C      -9.242493      4.132166      7.081422
  C     -10.421216      4.876241      7.107779
  C     -11.662746      4.243010      7.018485
  C     -11.703149      2.851381      6.900474
  Br    -13.396433      1.978450      6.779220
  C     -10.541433      2.090169      6.868974
  H      -2.285827     -1.044203      6.915143
  H      -5.185411     -0.273490      1.955688
  H      -6.077571     -2.419009      1.033050
  H      -5.934217     -4.505747      2.374495
  H      -4.044996     -2.347254      5.583980
  H      -5.310164      3.856406      4.082362
  H      -8.613020      7.214610      3.804734
  H      -9.918076      8.433336      5.562644
  H      -8.881071      8.911042      7.775617
  H      -5.224491      7.042740      6.451543
  H      -5.925010      1.203962      5.795102
  H      -8.273277      4.623486      7.157436
  H     -10.377704      5.962246      7.199714
  H     -12.587350      4.819585      7.041242
  H     -10.571913      1.005176      6.774099
  N      -1.389725      2.080243      4.360237
  H      -0.515971      2.011568      3.827425
73
Coordinates from ORCA-job orca E -13783.468331731579
  N      -2.029557      1.099860      6.864967
  Mo     -2.882026      2.266649      5.260282
  N      -4.590609      2.637177      6.505301
  C      -4.439021      3.792294      7.394061
  C      -3.029373      3.767310      7.939065
  N      -2.022476      3.658641      6.822281
  C      -0.754230      3.049796      7.345398
  C      -1.003223      1.584211      7.755433
  C      -1.798120      5.016257      6.190044
  C      -2.156000      5.004443      4.697704
  N      -3.289702      4.105843      4.498387
  H      -0.074523      1.000901      7.662684
  H      -1.345268      1.501738      8.798391
  H      -0.017867      3.095352      6.534205
  H      -0.381851      3.640420      8.195908
  H      -2.410472      6.020648      4.364199
  H      -1.311486      4.625670      4.102874
  H      -2.446654      5.729841      6.712593
  H      -0.755422      5.321106      6.349864
  H      -5.162119      3.737081      8.220141
  H      -4.651666      4.731491      6.856478
  H      -2.918429      2.889123      8.584732
  H      -2.795943      4.662505      8.534703
  C      -2.526302     -0.049275      6.516069
  N      -3.418469      0.242630      5.537046
  C      -4.036528      0.063177      4.351164
  O      -4.143835      1.204281      3.761978
  C      -4.549798     -1.180278      3.813164
  C      -5.131472     -1.193692      2.532182
  C      -5.626381     -2.389239      2.023761
  C      -5.548111     -3.566597      2.774178
  C      -4.969342     -3.539287      4.047917
  Br     -4.869534     -5.136628      5.068149
  C      -4.470502     -2.357242      4.579919
  C      -4.538122      4.613997      4.288737
  N      -4.817511      5.872562      4.344627
  C      -6.118732      6.260543      3.982672
  O      -6.613598      5.978093      2.896148
  C      -6.847279      7.051353      5.019983
  C      -8.167489      7.450306      4.767816
  C      -8.890486      8.120075      5.751682
  C      -8.316868      8.389565      6.998692
  C      -7.002541      7.986149      7.235269
  Br     -6.203129      8.332912      8.935531
  C      -6.257045      7.330978      6.261377
  C      -5.825788      2.101491      6.423289
  N      -6.869874      2.624187      7.002209
  C      -8.061139      1.896150      6.898691
  O      -8.107089      0.667357      6.791406
  C      -9.297299      2.734077      6.961967
  C      -9.242078      4.131030      7.083549
  C     -10.421112      4.874541      7.110052
  C     -11.662440      4.240913      7.020841
  C     -11.702290      2.849291      6.902735
  Br    -13.395139      1.975551      6.781303
  C     -10.540186      2.088587      6.871170
  H      -2.287335     -1.043603      6.915120
  H      -5.187713     -0.270548      1.956156
  H      -6.082121     -2.415248      1.033709
  H      -5.938871     -4.502398      2.374485
  H      -4.045471     -2.345975      5.582940
  H      -5.307500      3.856597      4.081051
  H      -8.610353      7.217202      3.799549
  H      -9.917192      8.433912      5.557722
  H      -8.883264      8.906366      7.773262
  H      -5.226222      7.037597      6.451573
  H      -5.924272      1.203916      5.796009
  H      -8.273186      4.623024      7.159416
  H     -10.377913      5.960570      7.201962
  H     -12.587258      4.817129      7.043825
  H     -10.570202      1.003575      6.776280
  N      -1.387887      2.080132      4.361786
  H      -0.512864      2.009353      3.831381
73
Coordinates from ORCA-job orca E -13783.468334464491
  N      -2.029198      1.099671      6.864685
  Mo     -2.881106      2.267526      5.260468
  N      -4.589941      2.637865      6.505247
  C      -4.438189      3.793032      7.393973
  C      -3.028771      3.767689      7.939393
  N      -2.021707      3.658564      6.822886
  C      -0.753866      3.049209      7.346565
  C      -1.003662      1.583621      7.756223
  C      -1.796566      5.016271      6.190760
  C      -2.154450      5.005259      4.698418
  N      -3.288163      4.106962      4.498479
  H      -0.074916      1.000271      7.663984
  H      -1.346552      1.500894      8.798867
  H      -0.017007      3.094601      6.535832
  H      -0.381868      3.639504      8.197467
  H      -2.408812      6.021753      4.365635
  H      -1.309988      4.626799      4.103300
  H      -2.444669      5.729990      6.713650
  H      -0.753673      5.320464      6.350579
  H      -5.161881      3.738479      8.219551
  H      -4.649989      4.732136      6.855896
  H      -2.918010      2.889903      8.585642
  H      -2.795415      4.663049      8.534853
  C      -2.526876     -0.049061      6.515720
  N      -3.418220      0.243894      5.536292
  C      -4.036868      0.064702      4.350722
  O      -4.143605      1.205952      3.761627
  C      -4.551054     -1.178438      3.812841
  C      -5.133934     -1.191043      2.532378
  C      -5.629695     -2.386212      2.023846
  C      -5.551022     -3.563925      2.773667
  C      -4.971076     -3.537394      4.046892
  Br     -4.870897     -5.135299      5.066185
  C      -4.471389     -2.355752      4.578971
  C      -4.536784      4.614472      4.288234
  N      -4.816451      5.873027      4.342378
  C      -6.117718      6.260414      3.979857
  O      -6.611535      5.978086      2.892809
  C      -6.847793      7.050270      5.016805
  C      -8.167116      7.450986      4.762846
  C      -8.891157      8.119985      5.746493
  C      -8.319501      8.386787      6.994971
  C      -7.006096      7.981480      7.233449
  Br     -6.209861      8.324175      8.935960
  C      -6.259538      7.327214      6.259744
  C      -5.824824      2.101291      6.424747
  N      -6.868609      2.623612      7.004751
  C      -8.059787      1.895317      6.901541
  O      -8.105781      0.666570      6.794772
  C      -9.295981      2.733437      6.964528
  C      -9.240941      4.130376      7.086150
  C     -10.420064      4.873727      7.112460
  C     -11.661368      4.240104      7.022925
  C     -11.701062      2.848489      6.904683
  Br    -13.393728      1.974475      6.782640
  C     -10.538822      2.087941      6.873405
  H      -2.288419     -1.043565      6.914623
  H      -5.190449     -0.267609      1.956850
  H      -6.086403     -2.411623      1.034228
  H      -5.942396     -4.499433      2.373880
  H      -4.045357     -2.345021      5.581571
  H      -5.305679      3.856282      4.081702
  H      -8.608310      7.219915      3.793335
  H      -9.917145      8.435309      5.551168
  H      -8.886785      8.902879      7.769376
  H      -5.229426      7.032393      6.451518
  H      -5.923792      1.203623      5.797709
  H      -8.272261      4.622766      7.162225
  H     -10.376872      5.959751      7.204469
  H     -12.586194      4.816301      7.045804
  H     -10.568731      1.002914      6.778526
  N      -1.386710      2.080553      4.362595
  H      -0.510689      2.008909      3.833977
73
Coordinates from ORCA-job orca E -13783.468338715060
  N      -2.027917      1.099112      6.863673
  Mo     -2.880029      2.268403      5.260818
  N      -4.588848      2.638137      6.505803
  C      -4.436774      3.793541      7.394230
  C      -3.027562      3.767760      7.940000
  N      -2.020426      3.658224      6.823652
  C      -0.752989      3.048199      7.347757
  C      -1.003667      1.582618      7.756866
  C      -1.794342      5.016154      6.191910
  C      -2.152979      5.006418      4.699719
  N      -3.286696      4.108509      4.499544
  H      -0.074774      0.999323      7.665481
  H      -1.347862      1.499408      8.799018
  H      -0.015705      3.093495      6.537427
  H      -0.381237      3.638026      8.199089
  H      -2.407390      6.023302      4.368089
  H      -1.308802      4.628597      4.103739
  H      -2.441596      5.730031      6.715626
  H      -0.751117      5.319339      6.351437
  H      -5.161068      3.739992      8.219326
  H      -4.647587      4.732472      6.855466
  H      -2.917078      2.890217      8.586637
  H      -2.794182      4.663176      8.535388
  C      -2.527394     -0.049070      6.515245
  N      -3.417941      0.245357      5.535585
  C      -4.037571      0.066584      4.350518
  O      -4.143983      1.208187      3.761994
  C      -4.552864     -1.176104      3.812649
  C      -5.137320     -1.187670      2.532873
  C      -5.634036     -2.382349      2.024130
  C      -5.554766     -3.560599      2.773054
  C      -4.973323     -3.535085      4.045614
  Br     -4.872490     -5.133710      5.063710
  C      -4.472652     -2.353948      4.577868
  C      -4.535525      4.615169      4.288258
  N      -4.815310      5.873794      4.339561
  C      -6.116454      6.260818      3.976145
  O      -6.608644      5.979359      2.888141
  C      -6.848449      7.049261      5.012802
  C      -8.166796      7.451792      4.756753
  C      -8.892215      8.119761      5.740089
  C      -8.323012      8.383580      6.990300
  C      -7.010607      7.976267      7.231002
  Br     -6.218112      8.314216      8.936130
  C      -6.262657      7.323195      6.257561
  C      -5.823572      2.100923      6.426926
  N      -6.866969      2.622862      7.008017
  C      -8.058124      1.894341      6.905192
  O      -8.104001      0.665590      6.799287
  C      -9.294344      2.732587      6.967477
  C      -9.239578      4.129532      7.088520
  C     -10.418856      4.872690      7.114255
  C     -11.660078      4.238922      7.024636
  C     -11.699498      2.847236      6.906916
  Br    -13.391949      1.972813      6.784709
  C     -10.537103      2.086925      6.876300
  H      -2.289863     -1.043667      6.914433
  H      -5.194290     -0.263804      1.958085
  H      -6.091968     -2.406952      1.035060
  H      -5.946816     -4.495742      2.373075
  H      -4.045355     -2.343972      5.579936
  H      -5.304001      3.856068      4.083650
  H      -8.605931      7.223044      3.785755
  H      -9.917432      8.436575      5.543145
  H      -8.891476      8.898760      7.764453
  H      -5.233314      7.026967      6.451218
  H      -5.923184      1.203061      5.800262
  H      -8.271159      4.622440      7.164658
  H     -10.375795      5.958739      7.205938
  H     -12.584927      4.815091      7.047039
  H     -10.566873      1.001839      6.781963
  N      -1.385643      2.081378      4.363052
  H      -0.508327      2.010013      3.836561
73
Coordinates from ORCA-job orca E -13783.468344803236
  N      -2.025410      1.098192      6.861694
  Mo     -2.878685      2.269265      5.261194
  N      -4.587090      2.637802      6.507122
  C      -4.434655      3.793775      7.394813
  C      -3.025627      3.767554      7.940858
  N      -2.018486      3.657704      6.824541
  C      -0.751465      3.046826      7.348941
  C      -1.003130      1.581288      7.757350
  C      -1.791362      5.015985      6.193517
  C      -2.151813      5.008021      4.701660
  N      -3.285501      4.110497      4.501798
  H      -0.073977      0.998134      7.667455
  H      -1.349349      1.497409      8.798747
  H      -0.013855      3.092062      6.538918
  H      -0.379726      3.636071      8.200682
  H      -2.406543      6.025371      4.371635
  H      -1.308196      4.631275      4.104118
  H      -2.437227      5.730077      6.718647
  H      -0.747637      5.317766      6.352308
  H      -5.159457      3.741613      8.219544
  H      -4.644455      4.732376      6.855094
  H      -2.915618      2.889955      8.587515
  H      -2.792091      4.662850      8.536354
  C      -2.527793     -0.049306      6.514616
  N      -3.417222      0.246997      5.534643
  C      -4.038668      0.068885      4.350505
  O      -4.144961      1.211037      3.762893
  C      -4.555493     -1.173149      3.812698
  C      -5.142076     -1.183495      2.533862
  C      -5.640110     -2.377547      2.025015
  C      -5.560145     -3.556465      2.772836
  C      -4.976682     -3.532151      4.044491
  Br     -4.874962     -5.131531      5.061342
  C      -4.474623     -2.351646      4.576820
  C      -4.534508      4.616088      4.288817
  N      -4.814252      5.874834      4.336081
  C      -6.115077      6.261868      3.971578
  O      -6.605062      5.982543      2.882067
  C      -6.849153      7.048306      5.008282
  C      -8.166645      7.452306      4.750263
  C      -8.893654      8.118865      5.733359
  C      -8.327054      8.379753      6.985343
  C      -7.015519      7.970746      7.228143
  Br     -6.226693      8.303830      8.935873
  C      -6.265988      7.319205      6.254905
  C      -5.821810      2.100271      6.429770
  N      -6.864875      2.621964      7.011515
  C      -8.056017      1.893159      6.909248
  O      -8.101461      0.664285      6.804906
  C      -9.292312      2.731303      6.970242
  C      -9.238007      4.128313      7.089674
  C     -10.417555      4.871177      7.114247
  C     -11.658571      4.236956      7.025019
  C     -11.697507      2.845086      6.908910
  Br    -13.389705      1.970042      6.787370
  C     -10.534901      2.085160      6.879515
  H      -2.291981     -1.043872      6.914811
  H      -5.199604     -0.259098      1.959979
  H      -6.099662     -2.401153      1.036668
  H      -5.953146     -4.491151      2.372735
  H      -4.045645     -2.342653      5.578175
  H      -5.302668      3.856021      4.086841
  H      -8.603628      7.225926      3.777721
  H      -9.918220      8.436837      5.534855
  H      -8.896862      8.893784      7.759266
  H      -5.237309      7.021940      6.450414
  H      -5.922033      1.201982      5.803774
  H      -8.269888      4.621858      7.165563
  H     -10.374872      5.957312      7.204830
  H     -12.583509      4.813012      7.046426
  H     -10.564432      0.999946      6.786550
  N      -1.384451      2.082957      4.363129
  H      -0.504844      2.014310      3.840103
73
Coordinates from ORCA-job orca E -13783.468355001529
  N      -2.021739      1.097135      6.858835
  Mo     -2.877622      2.269422      5.261267
  N      -4.585029      2.636790      6.508972
  C      -4.432320      3.793557      7.395547
  C      -3.023257      3.767120      7.941496
  N      -2.016358      3.657189      6.824879
  C      -0.749496      3.045686      7.349122
  C      -1.001748      1.580288      7.757116
  C      -1.788701      5.015783      6.194622
  C      -2.152073      5.009403      4.703312
  N      -3.285675      4.111966      4.504824
  H      -0.072224      0.997391      7.669214
  H      -1.350288      1.495887      8.797673
  H      -0.011977      3.090867      6.539008
  H      -0.377288      3.634562      8.200914
  H      -2.407532      6.027072      4.374799
  H      -1.309279      4.633915      4.103710
  H      -2.432872      5.730140      6.721481
  H      -0.744413      5.316233      6.352061
  H      -5.157103      3.742670      8.220390
  H      -4.641682      4.731727      6.854956
  H      -2.913760      2.889047      8.587603
  H      -2.789354      4.662106      8.537254
  C      -2.527576     -0.049824      6.514262
  N      -3.415923      0.247839      5.533893
  C      -4.039904      0.070353      4.351097
  O      -4.146681      1.213107      3.764544
  C      -4.558215     -1.171058      3.813500
  C      -5.146959     -1.180536      2.535632
  C      -5.646283     -2.374070      2.026996
  C      -5.565656     -3.553517      2.773941
  C      -4.980130     -3.530071      4.044653
  Br     -4.877352     -5.129879      5.060780
  C      -4.476667     -2.350070      4.576770
  C      -4.534706      4.616777      4.290052
  N      -4.814035      5.875689      4.333008
  C      -6.114266      6.263715      3.967799
  O      -6.602249      5.987984      2.876542
  C      -6.849592      7.047807      5.005423
  C      -8.166612      7.452752      4.746516
  C      -8.894740      8.117583      5.729897
  C      -8.329919      8.375869      6.983214
  C      -7.018858      7.965776      7.226941
  Br     -6.232087      8.294573      8.936468
  C      -6.268221      7.315991      6.253415
  C      -5.820027      2.099716      6.432097
  N      -6.863064      2.621736      7.013232
  C      -8.054205      1.892686      6.911517
  O      -8.098954      0.663579      6.808980
  C      -9.290642      2.730396      6.970847
  C      -9.236904      4.127526      7.088063
  C     -10.416782      4.870055      7.111073
  C     -11.657473      4.235105      7.022487
  C     -11.695794      2.842992      6.908676
  Br    -13.387787      1.967324      6.788286
  C     -10.532979      2.083507      6.880844
  H      -2.294166     -1.043987      6.916746
  H      -5.205040     -0.255727      1.962459
  H      -6.107433     -2.396901      1.039370
  H      -5.959623     -4.487837      2.373964
  H      -4.045996     -2.341942      5.577403
  H      -5.302996      3.856151      4.090851
  H      -8.602205      7.228535      3.772822
  H      -9.918969      8.436203      5.530647
  H      -8.900676      8.888580      7.757300
  H      -5.239891      7.018194      6.449885
  H      -5.920466      1.200696      5.807100
  H      -8.268988      4.621544      7.163538
  H     -10.374732      5.956320      7.200024
  H     -12.582584      4.810933      7.042532
  H     -10.562188      0.998136      6.789687
  N      -1.383841      2.085581      4.361954
  H      -0.500344      2.025674      3.844411
73
Coordinates from ORCA-job orca E -13783.468366166275
  N      -2.018871      1.096319      6.856889
  Mo     -2.877282      2.268353      5.260848
  N      -4.583322      2.635893      6.510477
  C      -4.430843      3.793378      7.395879
  C      -3.021605      3.767029      7.941567
  N      -2.015105      3.656956      6.824458
  C      -0.748208      3.045318      7.348381
  C      -1.000490      1.580187      7.756726
  C      -1.787607      5.015470      6.194423
  C      -2.154013      5.009558      4.703648
  N      -3.287391      4.111574      4.507138
  H      -0.070712      0.997434      7.670728
  H      -1.350690      1.495992      8.796740
  H      -0.011072      3.090246      6.537873
  H      -0.375231      3.634376      8.199717
  H      -2.410546      6.027139      4.375749
  H      -1.311944      4.635059      4.102334
  H      -2.430201      5.730340      6.722537
  H      -0.742846      5.315099      6.350152
  H      -5.155087      3.743066      8.221258
  H      -4.640475      4.731185      6.854816
  H      -2.912601      2.888299      8.586853
  H      -2.787167      4.661717      8.537456
  C      -2.526880     -0.050601      6.514858
  N      -3.413907      0.246845      5.533375
  C      -4.040661      0.070061      4.352100
  O      -4.148304      1.213379      3.766489
  C      -4.560242     -1.170779      3.814678
  C      -5.150793     -1.179738      2.537647
  C      -5.651318     -2.372870      2.029445
  C      -5.570322     -3.552633      2.775872
  C      -4.983001     -3.529734      4.045750
  Br     -4.879325     -5.129680      5.061632
  C      -4.478202     -2.350117      4.577460
  C      -4.536162      4.616442      4.291129
  N      -4.814864      5.875478      4.331922
  C      -6.114485      6.265189      3.966979
  O      -6.602051      5.992832      2.874758
  C      -6.848985      7.048030      5.006198
  C      -8.166893      7.451252      4.749068
  C      -8.894695      8.115097      5.733276
  C      -8.328715      8.374413      6.985865
  C      -7.016736      7.966135      7.227684
  Br     -6.227434      8.296386      8.935908
  C      -6.266496      7.317103      6.253395
  C      -5.818705      2.099775      6.432413
  N      -6.862358      2.622680      7.011195
  C      -8.053235      1.893132      6.909924
  O      -8.096843      0.663713      6.808817
  C      -9.290192      2.729706      6.967922
  C      -9.237381      4.127055      7.082642
  C     -10.417779      4.868915      7.104358
  C     -11.657937      4.232684      7.017096
  C     -11.695272      2.840343      6.905905
  Br    -13.386904      1.963599      6.787669
  C     -10.532058      2.081594      6.879251
  H      -2.296080     -1.044080      6.920433
  H      -5.209198     -0.254696      1.964866
  H      -6.113767     -2.395192      1.042412
  H      -5.965266     -4.486659      2.376219
  H      -4.046036     -2.342699      5.577453
  H      -5.305076      3.856133      4.093117
  H      -8.603542      7.226436      3.775947
  H      -9.919685      8.432145      5.535352
  H      -8.899168      8.886521      7.760548
  H      -5.237463      7.020847      6.448471
  H      -5.918417      1.199787      5.808611
  H      -8.269572      4.621416      7.157232
  H     -10.376783      5.955358      7.191338
  H     -12.583485      4.807846      7.036049
  H     -10.560584      0.996055      6.790042
  N      -1.383268      2.089060      4.360880
  H      -0.493336      2.043565      3.852903
73
Coordinates from ORCA-job orca E -13783.468381882154
  N      -2.021410      1.097029      6.859051
  Mo     -2.877238      2.267508      5.259640
  N      -4.582061      2.636152      6.511035
  C      -4.431468      3.794422      7.395360
  C      -3.022568      3.768785      7.941144
  N      -2.015662      3.657764      6.824391
  C      -0.749878      3.045771      7.349971
  C      -1.003491      1.581271      7.759372
  C      -1.787093      5.015325      6.193519
  C      -2.154157      5.008691      4.702632
  N      -3.287348      4.110083      4.506376
  H      -0.074237      0.997472      7.675494
  H      -1.354946      1.498744      8.799123
  H      -0.011968      3.089563      6.540055
  H      -0.376925      3.635435      8.200901
  H      -2.411069      6.025866      4.373917
  H      -1.311934      4.634262      4.101465
  H      -2.428309      5.731775      6.721204
  H      -0.741886      5.313810      6.348442
  H      -5.155149      3.743711      8.221215
  H      -4.641923      4.731840      6.853970
  H      -2.914477      2.889596      8.585927
  H      -2.787634      4.663480      8.536697
  C      -2.528647     -0.050198      6.517233
  N      -3.411908      0.245434      5.531780
  C      -4.040366      0.070254      4.351477
  O      -4.147120      1.214212      3.766443
  C      -4.561943     -1.169418      3.813500
  C      -5.153237     -1.177149      2.536869
  C      -5.655850     -2.369331      2.028664
  C      -5.576373     -3.549463      2.774649
  C      -4.988166     -3.527844      4.044130
  Br     -4.886003     -5.128167      5.059604
  C      -4.481178     -2.349189      4.575881
  C      -4.535204      4.616340      4.288743
  N      -4.813705      5.875308      4.331919
  C      -6.112991      6.265753      3.967098
  O      -6.601423      5.994018      2.875153
  C      -6.845745      7.049007      5.007312
  C      -8.167114      7.443695      4.754635
  C      -8.894323      8.107401      5.739290
  C      -8.324053      8.375676      6.988046
  C      -7.008484      7.976365      7.225083
  Br     -6.211892      8.320227      8.927492
  C      -6.259066      7.326869      6.250519
  C      -5.817186      2.099767      6.430957
  N      -6.862234      2.622953      7.006544
  C      -8.052095      1.891902      6.906410
  O      -8.093648      0.662148      6.805585
  C      -9.290321      2.726131      6.965226
  C      -9.238996      4.123840      7.077174
  C     -10.420220      4.864393      7.099608
  C     -11.659624      4.226069      7.016199
  C     -11.695440      2.833531      6.907897
  Br    -13.386379      1.954663      6.795263
  C     -10.531439      2.076087      6.880254
  H      -2.301134     -1.043246      6.925685
  H      -5.210494     -0.251843      1.964376
  H      -6.118791     -2.390645      1.041840
  H      -5.973080     -4.482719      2.375008
  H      -4.048103     -2.343018      5.575486
  H      -5.304755      3.857456      4.087532
  H      -8.607351      7.212214      3.784651
  H      -9.922157      8.417363      5.544817
  H      -8.893788      8.888010      7.763070
  H      -5.227388      7.037341      6.441657
  H      -5.914679      1.198684      5.808331
  H      -8.271242      4.618686      7.149006
  H     -10.380752      5.951082      7.184293
  H     -12.585987      4.799878      7.035798
  H     -10.558725      0.990360      6.793110
  N      -1.378588      2.090171      4.366846
  H      -0.480951      2.048106      3.872151
73
Coordinates from ORCA-job orca E -13783.468396504992
  N      -2.026875      1.099164      6.862413
  Mo     -2.877556      2.267999      5.257631
  N      -4.581553      2.639704      6.509610
  C      -4.432982      3.799017      7.392656
  C      -3.024647      3.774088      7.939086
  N      -2.016944      3.659960      6.823445
  C      -0.753015      3.047108      7.352056
  C      -1.009351      1.583477      7.763152
  C      -1.786231      5.015802      6.190250
  C      -2.151833      5.007481      4.698877
  N      -3.285457      4.108988      4.501642
  H      -0.080962      0.998008      7.681698
  H      -1.362333      1.503432      8.802608
  H      -0.013464      3.088659      6.543525
  H      -0.380658      3.637528      8.202735
  H      -2.407930      6.024294      4.368550
  H      -1.309173      4.631707      4.099277
  H      -2.426556      5.734365      6.716159
  H      -0.740666      5.313133      6.345116
  H      -5.156839      3.748511      8.218352
  H      -4.643741      4.735668      6.850087
  H      -2.917722      2.896013      8.585555
  H      -2.789226      4.669761      8.533014
  C      -2.533092     -0.048158      6.520242
  N      -3.411739      0.245647      5.530023
  C      -4.040248      0.071217      4.349946
  O      -4.144425      1.215127      3.763654
  C      -4.563611     -1.167681      3.812069
  C      -5.154638     -1.174768      2.535333
  C      -5.659248     -2.366286      2.027447
  C      -5.581864     -3.546224      2.773937
  C      -4.993703     -3.525255      4.043470
  Br     -4.894194     -5.125529      5.059246
  C      -4.484828     -2.347288      4.574945
  C      -4.532559      4.617074      4.283490
  N      -4.810599      5.875927      4.329359
  C      -6.109666      6.267383      3.965207
  O      -6.598851      5.997190      2.873229
  C      -6.841631      7.049050      5.007268
  C      -8.164858      7.439650      4.757739
  C      -8.891805      8.101025      5.744195
  C      -8.319142      8.371231      6.991493
  C      -7.001668      7.976454      7.225100
  Br     -6.201484      8.324098      8.925163
  C      -6.252567      7.329039      6.248886
  C      -5.815642      2.101091      6.429283
  N      -6.861989      2.624082      7.002904
  C      -8.050396      1.890806      6.904495
  O      -8.090170      0.660907      6.803772
  C      -9.290131      2.722789      6.964711
  C      -9.240771      4.120790      7.075597
  C     -10.423025      4.859492      7.099262
  C     -11.661552      4.219135      7.018164
  C     -11.695437      2.826527      6.910970
  Br    -13.385129      1.944931      6.801389
  C     -10.530270      2.070756      6.882083
  H      -2.308949     -1.040857      6.931398
  H      -5.210167     -0.249621      1.962426
  H      -6.122063     -2.387184      1.040558
  H      -5.980226     -4.478920      2.374603
  H      -4.051664     -2.341602      5.574516
  H      -5.302567      3.859348      4.079237
  H      -8.607051      7.206689      3.789024
  H      -9.921097      8.407672      5.552247
  H      -8.888498      8.881829      7.767947
  H      -5.219452      7.042727      6.437201
  H      -5.910911      1.198796      5.808127
  H      -8.273434      4.616706      7.145588
  H     -10.385093      5.946317      7.182944
  H     -12.588893      4.791355      7.038824
  H     -10.555845      0.984944      6.795540
  N      -1.372710      2.090330      4.375294
  H      -0.467905      2.044892      3.894161
73
Coordinates from ORCA-job orca E -13783.468408717865
  N      -2.030547      1.100687      6.864333
  Mo     -2.879320      2.266896      5.255386
  N      -4.581599      2.645603      6.507489
  C      -4.433903      3.805420      7.389233
  C      -3.025481      3.780720      7.936006
  N      -2.018413      3.662265      6.820426
  C      -0.755297      3.049134      7.350459
  C      -1.013119      1.586317      7.764378
  C      -1.787290      5.016089      6.183751
  C      -2.152533      5.004788      4.692338
  N      -3.286621      4.105879      4.495764
  H      -0.085219      0.999829      7.684620
  H      -1.366598      1.509014      8.803909
  H      -0.015168      3.088212      6.542354
  H      -0.382678      3.640792      8.200189
  H      -2.408399      6.020979      4.360033
  H      -1.310010      4.627257      4.093854
  H      -2.427020      5.736427      6.707956
  H      -0.741531      5.313512      6.337396
  H      -5.157975      3.755557      8.214757
  H      -4.644576      4.741321      6.845408
  H      -2.919039      2.904886      8.585604
  H      -2.789220      4.678026      8.527239
  C      -2.536296     -0.047033      6.523666
  N      -3.412086      0.244025      5.529992
  C      -4.040513      0.069001      4.350258
  O      -4.143527      1.212411      3.761983
  C      -4.564177     -1.170074      3.813220
  C      -5.155052     -1.177744      2.536400
  C      -5.660249     -2.369487      2.029358
  C      -5.583270     -3.548757      2.776927
  C      -4.995041     -3.527184      4.046459
  Br     -4.896129     -5.126959      5.062997
  C      -4.485752     -2.349023      4.577123
  C      -4.533485      4.615799      4.279342
  N      -4.810128      5.874687      4.326554
  C      -6.108816      6.269270      3.965030
  O      -6.599745      6.003230      2.872818
  C      -6.838686      7.048126      5.010790
  C      -8.161950      7.440848      4.764579
  C      -8.886894      8.098875      5.754861
  C      -8.311989      8.363420      7.002442
  C      -6.994532      7.966879      7.232512
  Br     -6.191688      8.307395      8.932758
  C      -6.247285      7.322904      6.252561
  C      -5.814909      2.105357      6.426643
  N      -6.862526      2.629120      6.997907
  C      -8.049647      1.893974      6.899754
  O      -8.088371      0.664137      6.798262
  C      -9.290857      2.724108      6.960732
  C      -9.243835      4.122179      7.073757
  C     -10.427272      4.858729      7.097956
  C     -11.664763      4.216600      7.014999
  C     -11.696353      2.824150      6.905703
  Br    -13.384324      1.939776      6.793128
  C     -10.529805      2.070260      6.876457
  H      -2.314997     -1.038692      6.938898
  H      -5.210088     -0.253114      1.962645
  H      -6.123088     -2.391006      1.042498
  H      -5.982146     -4.481585      2.378331
  H      -4.052493     -2.342703      5.576653
  H      -5.304379      3.858943      4.074687
  H      -8.605941      7.212098      3.795757
  H      -9.916120      8.407307      5.565615
  H      -8.879749      8.871236      7.781922
  H      -5.214053      7.035027      6.438050
  H      -5.908442      1.201744      5.807290
  H      -8.277206      4.619310      7.144871
  H     -10.390994      5.945504      7.183115
  H     -12.593200      4.787094      7.036075
  H     -10.553318      0.984563      6.788039
  N      -1.370237      2.095016      4.378989
  H      -0.455212      2.058170      3.916957
73
Coordinates from ORCA-job orca E -13783.468418973836
  N      -2.040635      1.104078      6.870191
  Mo     -2.880370      2.269325      5.253560
  N      -4.581609      2.652163      6.505856
  C      -4.435731      3.812663      7.386799
  C      -3.027885      3.788930      7.934110
  N      -2.020494      3.665495      6.819799
  C      -0.760249      3.050598      7.354071
  C      -1.023008      1.588934      7.770264
  C      -1.785713      5.017006      6.179060
  C      -2.146001      5.003097      4.686484
  N      -3.281328      4.105776      4.486736
  H      -0.096546      0.999875      7.692468
  H      -1.377671      1.514896      8.809655
  H      -0.017373      3.086392      6.548387
  H      -0.389003      3.642671      8.204126
  H      -2.398962      6.019176      4.351590
  H      -1.302552      4.622189      4.091614
  H      -2.425714      5.739793      6.699497
  H      -0.739884      5.313510      6.334399
  H      -5.160990      3.763549      8.211230
  H      -4.645828      4.747577      6.841091
  H      -2.921984      2.916191      8.588040
  H      -2.791357      4.688322      8.522162
  C      -2.545590     -0.043253      6.528176
  N      -3.415832      0.246806      5.529116
  C      -4.041141      0.072201      4.348077
  O      -4.139490      1.215482      3.758009
  C      -4.566307     -1.166020      3.810382
  C      -5.155461     -1.172251      2.532762
  C      -5.662192     -2.363091      2.024790
  C      -5.588030     -3.542435      2.772472
  C      -5.001370     -3.522253      4.042800
  Br     -4.906765     -5.122764      5.058447
  C      -4.490771     -2.345080      4.574340
  C      -4.527668      4.617639      4.269764
  N      -4.803297      5.876541      4.317554
  C      -6.101728      6.272061      3.955735
  O      -6.591201      6.008686      2.862210
  C      -6.834108      7.046471      5.003041
  C      -8.157711      7.438171      4.757204
  C      -8.884293      8.091179      5.749768
  C      -8.310480      8.351318      6.998793
  C      -6.992640      7.955944      7.228492
  Br     -6.192449      8.290361      8.931004
  C      -6.243734      7.317252      6.246313
  C      -5.812886      2.107249      6.427373
  N      -6.861168      2.629322      6.999877
  C      -8.046829      1.891902      6.902074
  O      -8.084748      0.662485      6.797318
  C      -9.289335      2.720617      6.967235
  C      -9.244046      4.118346      7.086149
  C     -10.428337      4.853109      7.114175
  C     -11.665233      4.210224      7.028983
  C     -11.695210      2.818195      6.913663
  Br    -13.381665      1.931671      6.797316
  C     -10.527524      2.065870      6.880823
  H      -2.328273     -1.034878      6.945706
  H      -5.208147     -0.247549      1.958930
  H      -6.123875     -2.383737      1.037379
  H      -5.988029     -4.474505      2.373155
  H      -4.058517     -2.339321      5.574304
  H      -5.298523      3.860999      4.064008
  H      -8.600607      7.212667      3.787177
  H      -9.913763      8.398976      5.560998
  H      -8.879590      8.854843      7.780107
  H      -5.210187      7.030236      6.431416
  H      -5.905146      1.202923      5.809054
  H      -8.278178      4.616738      7.158645
  H     -10.392944      5.939596      7.204044
  H     -12.594320      4.779519      7.053054
  H     -10.549558      0.980518      6.787887
  N      -1.362830      2.091957      4.393098
  H      -0.440560      2.044378      3.946811
73
Coordinates from ORCA-job orca E -13783.468423949065
  N      -2.041345      1.103432      6.870946
  Mo     -2.879643      2.269870      5.253940
  N      -4.580532      2.653699      6.505902
  C      -4.434669      3.815026      7.385463
  C      -3.027485      3.790672      7.934398
  N      -2.019813      3.665547      6.820564
  C      -0.760537      3.049538      7.355962
  C      -1.024809      1.588130      7.772333
  C      -1.783250      5.016835      6.179759
  C      -2.144124      5.003652      4.687204
  N      -3.279323      4.106629      4.487112
  H      -0.098461      0.998737      7.695836
  H      -1.380723      1.514450      8.811280
  H      -0.016920      3.084621      6.550959
  H      -0.389568      3.641344      8.206318
  H      -2.397086      6.020001      4.353071
  H      -1.300855      4.623258      4.091625
  H      -2.421999      5.740426      6.700620
  H      -0.736975      5.311848      6.334885
  H      -5.161464      3.768090      8.208637
  H      -4.642340      4.749432      6.837925
  H      -2.922576      2.918582      8.589336
  H      -2.791017      4.690492      8.521776
  C      -2.547719     -0.043370      6.529103
  N      -3.415900      0.247914      5.528591
  C      -4.041945      0.074423      4.347909
  O      -4.139464      1.218420      3.758889
  C      -4.568686     -1.162838      3.809578
  C      -5.159372     -1.167337      2.532687
  C      -5.667483     -2.357263      2.024085
  C      -5.593258     -3.537493      2.770355
  C      -5.005127     -3.519066      4.040020
  Br     -4.910435     -5.120675      5.053930
  C      -4.493097     -2.342812      4.572156
  C      -4.525691      4.617812      4.268436
  N      -4.801112      5.876848      4.314579
  C      -6.099569      6.272214      3.952269
  O      -6.587960      6.009880      2.858062
  C      -6.832698      7.045650      4.999682
  C      -8.157340      7.434216      4.754873
  C      -8.884314      8.086660      5.747461
  C      -8.309908      8.349520      6.995552
  C      -6.990951      7.957094      7.224364
  Br     -6.189776      8.294560      8.925776
  C      -6.241806      7.318879      6.242104
  C      -5.811669      2.108196      6.428764
  N      -6.860026      2.629631      7.001407
  C      -8.045142      1.891117      6.904033
  O      -8.081410      0.661553      6.800077
  C      -9.288559      2.718382      6.968959
  C      -9.245130      4.116217      7.086061
  C     -10.430534      4.849404      7.114054
  C     -11.666613      4.204627      7.030832
  C     -11.694642      2.812403      6.917301
  Br    -13.379912      1.923193      6.804091
  C     -10.525967      2.061807      6.884393
  H      -2.332386     -1.035086      6.947367
  H      -5.212146     -0.241942      1.959966
  H      -6.130334     -2.376532      1.037198
  H      -5.994243     -4.468878      2.370485
  H      -4.059513     -2.338358      5.571540
  H      -5.296257      3.860732      4.063484
  H      -8.600588      7.206837      3.785382
  H      -9.914720      8.391855      5.559439
  H      -8.879342      8.852677      7.776846
  H      -5.207459      7.034493      6.426539
  H      -5.904020      1.203233      5.811335
  H      -8.280060      4.616324      7.157342
  H     -10.396611      5.936024      7.202826
  H     -12.596421      4.772700      7.054866
  H     -10.546655      0.976274      6.793123
  N      -1.360435      2.093381      4.396298
  H      -0.433256      2.039702      3.960871
73
Coordinates from ORCA-job orca E -13783.468427996877
  N      -2.043698      1.102348      6.871175
  Mo     -2.881427      2.270150      5.254455
  N      -4.581676      2.655182      6.505396
  C      -4.434749      3.817385      7.383606
  C      -3.027715      3.792620      7.933804
  N      -2.020494      3.665287      6.819907
  C      -0.761468      3.048225      7.355126
  C      -1.026584      1.586868      7.771995
  C      -1.782781      5.016285      6.178361
  C      -2.143446      5.002785      4.685722
  N      -3.279121      4.106712      4.485529
  H      -0.100421      0.997237      7.694958
  H      -1.381870      1.513455      8.811115
  H      -0.017910      3.082801      6.550112
  H      -0.390132      3.639607      8.205622
  H      -2.395667      6.019386      4.351704
  H      -1.300524      4.621651      4.090030
  H      -2.421340      5.740225      6.698964
  H      -0.736407      5.310776      6.333786
  H      -5.163234      3.772971      8.205402
  H      -4.639816      4.751222      6.834011
  H      -2.923144      2.921988      8.590705
  H      -2.791420      4.693364      8.519862
  C      -2.551586     -0.043968      6.529306
  N      -3.420975      0.248924      5.530395
  C      -4.043524      0.074496      4.347779
  O      -4.140856      1.218208      3.758294
  C      -4.568031     -1.163424      3.808730
  C      -5.156298     -1.168798      2.530735
  C      -5.662100     -2.359357      2.021380
  C      -5.587879     -3.539430      2.767894
  C      -5.002255     -3.520167      4.038713
  Br     -4.907875     -5.121494      5.053066
  C      -4.492635     -2.343233      4.571587
  C      -4.526039      4.617180      4.267602
  N      -4.800849      5.876476      4.313379
  C      -6.099876      6.271700      3.951730
  O      -6.588212      6.009628      2.857473
  C      -6.832730      7.045097      4.999149
  C      -8.157260      7.434250      4.755243
  C      -8.883093      8.087422      5.748171
  C      -8.307872      8.350305      6.995767
  C      -6.988987      7.956806      7.224040
  Br     -6.187133      8.292716      8.925221
  C      -6.240997      7.318139      6.241233
  C      -5.813007      2.109755      6.429654
  N      -6.860870      2.630790      7.003330
  C      -8.046294      1.892522      6.904793
  O      -8.082361      0.663092      6.799828
  C      -9.289661      2.719749      6.970406
  C      -9.246886      4.117280      7.089085
  C     -10.432802      4.849882      7.117993
  C     -11.668639      4.204788      7.034108
  C     -11.695909      2.812585      6.918998
  Br    -13.380649      1.922432      6.805365
  C     -10.526905      2.062760      6.885206
  H      -2.336614     -1.035874      6.947270
  H      -5.209132     -0.243525      1.957827
  H      -6.123138     -2.379305      1.033661
  H      -5.986885     -4.471372      2.367352
  H      -4.061077     -2.337790      5.571840
  H      -5.296475      3.859690      4.064090
  H      -8.600989      7.206978      3.785921
  H      -9.913464      8.393139      5.560742
  H      -8.876542      8.853993      7.777274
  H      -5.206655      7.033594      6.425241
  H      -5.906412      1.204765      5.812362
  H      -8.282450      4.618501      7.161064
  H     -10.399210      5.936366      7.208411
  H     -12.598587      4.772593      7.058656
  H     -10.547227      0.977279      6.793036
  N      -1.362264      2.091527      4.397125
  H      -0.429963      2.041315      3.972323
73
Coordinates from ORCA-job orca E -13783.468432485688
  N      -2.047498      1.103147      6.872621
  Mo     -2.881826      2.271509      5.254051
  N      -4.581823      2.655820      6.505530
  C      -4.435309      3.818605      7.383334
  C      -3.028730      3.793824      7.933671
  N      -2.021008      3.665731      6.820372
  C      -0.763187      3.047620      7.357068
  C      -1.030437      1.586730      7.774034
  C      -1.781275      5.016378      6.178601
  C      -2.140224      5.002931      4.685493
  N      -3.276394      4.107969      4.483850
  H      -0.104911      0.995957      7.697992
  H      -1.386652      1.514095      8.812901
  H      -0.018678      3.081399      6.552904
  H      -0.392158      3.638720      8.207902
  H      -2.391025      6.019755      4.351047
  H      -1.296925      4.620942      4.090879
  H      -2.419754      5.741063      6.698255
  H      -0.734793      5.309861      6.335170
  H      -5.164099      3.774836      8.204872
  H      -4.639857      4.752118      6.833045
  H      -2.924897      2.923178      8.590701
  H      -2.792286      4.694610      8.519581
  C      -2.555782     -0.042680      6.530036
  N      -3.423847      0.250971      5.530047
  C      -4.044251      0.076775      4.346270
  O      -4.139848      1.220551      3.756631
  C      -4.568492     -1.160813      3.806234
  C      -5.154512     -1.165847      2.527197
  C      -5.660084     -2.356090      2.016926
  C      -5.587878     -3.536261      2.763485
  C      -5.004492     -3.517357      4.035340
  Br     -4.912791     -5.118735      5.049874
  C      -4.495154     -2.340732      4.569146
  C      -4.522935      4.618828      4.264415
  N      -4.797792      5.878115      4.310856
  C      -6.096854      6.272596      3.947943
  O      -6.583854      6.010337      2.853157
  C      -6.831353      7.044884      4.994948
  C      -8.156563      7.431441      4.750575
  C      -8.884014      8.083289      5.743167
  C      -8.309782      8.347498      6.990920
  C      -6.990149      7.956675      7.219660
  Br     -6.189385      8.294551      8.920959
  C      -6.240602      7.319321      6.237200
  C      -5.812791      2.109432      6.431003
  N      -6.860467      2.629960      7.005351
  C      -8.045753      1.891239      6.908132
  O      -8.081486      0.661784      6.803132
  C      -9.289138      2.718166      6.975143
  C      -9.246359      4.115720      7.093112
  C     -10.432309      4.848245      7.123399
  C     -11.668162      4.202967      7.041633
  C     -11.695453      2.810680      6.927237
  Br    -13.380343      1.920430      6.816449
  C     -10.526454      2.060961      6.892062
  H      -2.342168     -1.034802      6.948182
  H      -5.205778     -0.240513      1.954238
  H      -6.119377     -2.375732      1.028383
  H      -5.986679     -4.467969      2.362204
  H      -4.065361     -2.335545      5.570162
  H      -5.293150      3.861598      4.059165
  H      -8.599532      7.203070      3.781158
  H      -9.914940      8.386892      5.555362
  H      -8.879692      8.850243      7.772127
  H      -5.205741      7.036897      6.421621
  H      -5.906143      1.204113      5.814155
  H      -8.281937      4.617206      7.163420
  H     -10.398719      5.934771      7.213239
  H     -12.598091      4.770755      7.067241
  H     -10.546841      0.975452      6.800341
  N      -1.359837      2.087418      4.402935
  H      -0.426308      2.029962      3.981751
73
Coordinates from ORCA-job orca E -13783.468434999011
  N      -2.052174      1.104228      6.874082
  Mo     -2.883986      2.271394      5.252714
  N      -4.582944      2.658535      6.504758
  C      -4.436710      3.821675      7.382054
  C      -3.030266      3.796593      7.932166
  N      -2.022712      3.666694      6.819006
  C      -0.765749      3.047983      7.356763
  C      -1.034675      1.587790      7.775030
  C      -1.781893      5.016360      6.175837
  C      -2.139193      5.001284      4.682370
  N      -3.276020      4.107017      4.480287
  H      -0.109850      0.995775      7.700044
  H      -1.391293      1.516870      8.813915
  H      -0.020735      3.080394      6.553003
  H      -0.394470      3.639505      8.207210
  H      -2.388589      6.017905      4.346280
  H      -1.295615      4.617585      4.089364
  H      -2.420621      5.742023      6.693794
  H      -0.735451      5.309704      6.332986
  H      -5.165327      3.778406      8.203746
  H      -4.641075      4.754843      6.831217
  H      -2.927161      2.926320      8.589859
  H      -2.793072      4.697720      8.517254
  C      -2.560254     -0.041545      6.531814
  N      -3.427434      0.251211      5.530503
  C      -4.044927      0.076331      4.345345
  O      -4.139310      1.219780      3.754700
  C      -4.567426     -1.161587      3.804474
  C      -5.149533     -1.167474      2.523627
  C      -5.653593     -2.358063      2.012618
  C      -5.583682     -3.537720      2.760212
  C      -5.004108     -3.517973      4.033810
  Br     -4.915373     -5.118698      5.049644
  C      -4.496401     -2.340993      4.568409
  C      -4.522040      4.619291      4.260656
  N      -4.796226      5.878588      4.308619
  C      -6.095162      6.274013      3.946105
  O      -6.582429      6.012921      2.851179
  C      -6.829377      7.044848      4.994373
  C      -8.155141      7.430497      4.751242
  C      -8.882659      8.080265      5.745167
  C      -8.307895      8.343329      6.992979
  C      -6.987699      7.953755      7.220303
  Br     -6.185931      8.290846      8.921332
  C      -6.238050      7.318442      6.236586
  C      -5.813562      2.111352      6.430655
  N      -6.861469      2.632407      7.004268
  C      -8.046390      1.892966      6.908490
  O      -8.081905      0.663516      6.803127
  C      -9.290059      2.719279      6.977201
  C      -9.247629      4.116867      7.095662
  C     -10.433739      4.848968      7.127517
  C     -11.669426      4.203295      7.046754
  C     -11.696425      2.811055      6.931872
  Br    -13.381233      1.920532      6.822093
  C     -10.527217      2.061655      6.895188
  H      -2.348053     -1.033274      6.951656
  H      -5.198917     -0.242563      1.949827
  H      -6.109862     -2.378377      1.022680
  H      -5.981350     -4.469690      2.358383
  H      -4.069705     -2.335168      5.570752
  H      -5.292695      3.862970      4.053489
  H      -8.598630      7.202806      3.781935
  H      -9.913974      8.383120      5.558379
  H      -8.877806      8.844487      7.775212
  H      -5.202751      7.036798      6.419956
  H      -5.906277      1.205217      5.814948
  H      -8.283212      4.618493      7.164985
  H     -10.400433      5.935495      7.217518
  H     -12.599567      4.770712      7.073638
  H     -10.547284      0.976214      6.802809
  N      -1.358685      2.085682      4.407764
  H      -0.420683      2.026040      3.997003
73
Coordinates from ORCA-job orca E -13783.468436777752
  N      -2.056001      1.104464      6.874401
  Mo     -2.887052      2.270780      5.251935
  N      -4.585386      2.660106      6.504045
  C      -4.438784      3.823632      7.380796
  C      -3.032463      3.797780      7.930857
  N      -2.025013      3.666874      6.817717
  C      -0.768376      3.047878      7.355788
  C      -1.037987      1.588079      7.774794
  C      -1.783746      5.016041      6.173902
  C      -2.139453      4.999386      4.680092
  N      -3.277034      4.105987      4.478131
  H      -0.113584      0.995370      7.700274
  H      -1.394647      1.518080      8.813735
  H      -0.023324      3.079673      6.552028
  H      -0.396688      3.639697      8.205855
  H      -2.387267      6.015815      4.342257
  H      -1.295630      4.613917      4.088618
  H      -2.423429      5.741983      6.690288
  H      -0.737599      5.309871      6.332111
  H      -5.167262      3.781262      8.202642
  H      -4.642589      4.756578      6.829414
  H      -2.930194      2.927326      8.588445
  H      -2.794551      4.698840      8.515759
  C      -2.564242     -0.041276      6.532599
  N      -3.432482      0.251277      5.531887
  C      -4.045889      0.075072      4.344650
  O      -4.140036      1.218084      3.753200
  C      -4.564833     -1.163775      3.802569
  C      -5.140830     -1.171476      2.518945
  C      -5.641521     -2.362976      2.006785
  C      -5.574305     -3.541829      2.755911
  C      -5.000801     -3.520287      4.032218
  Br     -4.915555     -5.119837      5.050243
  C      -4.496572     -2.342355      4.568045
  C      -4.522585      4.619445      4.258365
  N      -4.795813      5.878866      4.306739
  C      -6.094741      6.275307      3.945128
  O      -6.582842      6.015138      2.850395
  C      -6.827701      7.045726      4.994560
  C      -8.154016      7.430785      4.753191
  C      -8.880676      8.079805      5.748213
  C      -8.304478      8.342864      6.995410
  C      -6.983765      7.954100      7.220846
  Br     -6.179672      8.291594      8.920764
  C      -6.234969      7.319403      6.236077
  C      -5.816029      2.112892      6.430600
  N      -6.863781      2.634783      7.003724
  C      -8.048728      1.895170      6.909564
  O      -8.084309      0.665657      6.804590
  C      -9.292320      2.721379      6.979542
  C      -9.249724      4.119004      7.097814
  C     -10.435742      4.851169      7.131025
  C     -11.671495      4.205439      7.051807
  C     -11.698685      2.813207      6.937054
  Br    -13.383830      1.923006      6.829314
  C     -10.529577      2.063720      6.899028
  H      -2.352062     -1.032785      6.952971
  H      -5.188025     -0.247208      1.943931
  H      -6.093011     -2.384662      1.014684
  H      -5.969385     -4.474516      2.353198
  H      -4.074911     -2.335217      5.572515
  H      -5.293929      3.863952      4.050592
  H      -8.598683      7.203044      3.784439
  H      -9.912400      8.382119      5.562813
  H      -8.873683      8.843489      7.778496
  H      -5.199279      7.038284      6.418068
  H      -5.908639      1.206113      5.815827
  H      -8.285140      4.620460      7.165952
  H     -10.402393      5.937711      7.220794
  H     -12.601618      4.772834      7.079885
  H     -10.549782      0.978287      6.806656
  N      -1.360268      2.082944      4.409943
  H      -0.419363      2.024164      4.005748
73
Coordinates from ORCA-job orca E -13783.468438614975
  N      -2.060059      1.104379      6.874581
  Mo     -2.890328      2.270266      5.251341
  N      -4.588117      2.662525      6.503171
  C      -4.440851      3.826623      7.378962
  C      -3.034847      3.799477      7.929619
  N      -2.027389      3.666985      6.816652
  C      -0.771315      3.047402      7.355294
  C      -1.041916      1.587962      7.774897
  C      -1.785294      5.015598      6.172167
  C      -2.139438      4.997419      4.677989
  N      -3.277905      4.105124      4.476195
  H      -0.117914      0.994558      7.701134
  H      -1.399010      1.518769      8.813732
  H      -0.026007      3.078498      6.551738
  H      -0.399352      3.639412      8.205107
  H      -2.385430      6.013702      4.338385
  H      -1.295445      4.610012      4.088005
  H      -2.425820      5.741922      6.686975
  H      -0.739404      5.309732      6.331503
  H      -5.169714      3.786031      8.200531
  H      -4.643143      4.759214      6.826432
  H      -2.933876      2.929013      8.587375
  H      -2.796064      4.700511      8.514215
  C      -2.568939     -0.041172      6.533220
  N      -3.438253      0.251808      5.533280
  C      -4.047171      0.074236      4.343751
  O      -4.141027      1.216880      3.751576
  C      -4.562231     -1.165560      3.800224
  C      -5.131070     -1.175114      2.513402
  C      -5.627978     -2.367536      1.999762
  C      -5.564075     -3.545547      2.750518
  C      -4.997720     -3.522157      4.029968
  Br     -4.916930     -5.120480      5.050319
  C      -4.497371     -2.343260      4.567344
  C      -4.522934      4.619744      4.255871
  N      -4.794846      5.879406      4.303488
  C      -6.093648      6.277122      3.942656
  O      -6.582128      6.018811      2.847705
  C      -6.825646      7.046565      4.993464
  C      -8.152540      7.430891      4.753922
  C      -8.878467      8.078791      5.750180
  C      -8.300932      8.341595      6.996843
  C      -6.979688      7.953668      7.220375
  Br     -6.173544      8.290754      8.919456
  C      -6.231635      7.319982      6.234388
  C      -5.818708      2.114990      6.431168
  N      -6.866206      2.637580      7.004107
  C      -8.051098      1.897648      6.911732
  O      -8.086544      0.668061      6.807353
  C      -9.294789      2.723571      6.983129
  C      -9.252341      4.121224      7.101214
  C     -10.438450      4.853170      7.136060
  C     -11.674154      4.207096      7.058676
  C     -11.701198      2.814869      6.944011
  Br    -13.386442      1.924491      6.838807
  C     -10.532008      2.065613      6.904375
  H      -2.356660     -1.032638      6.953618
  H      -5.175577     -0.251500      1.937126
  H      -6.073859     -2.390636      1.005159
  H      -5.956220     -4.478966      2.346643
  H      -4.081622     -2.334749      5.574268
  H      -5.295065      3.864940      4.048442
  H      -8.598228      7.203417      3.785571
  H      -9.910647      8.380445      5.566227
  H      -8.869576      8.841311      7.780913
  H      -5.195533      7.039543      6.414989
  H      -5.911349      1.207454      5.817501
  H      -8.287718      4.622775      7.168026
  H     -10.405309      5.939725      7.225746
  H     -12.604374      4.774253      7.088155
  H     -10.552128      0.980161      6.812143
  N      -1.361935      2.080607      4.412479
  H      -0.418025      2.018501      4.015853
73
Coordinates from ORCA-job orca E -13783.468440151168
  N      -2.062699      1.103999      6.873982
  Mo     -2.893597      2.269471      5.251132
  N      -4.591156      2.663894      6.502691
  C      -4.442788      3.828105      7.378115
  C      -3.036734      3.799771      7.928883
  N      -2.029518      3.666616      6.815721
  C      -0.773413      3.046878      7.354050
  C      -1.044115      1.587518      7.773854
  C      -1.787462      5.014989      6.170843
  C      -2.140369      4.995519      4.676446
  N      -3.279676      4.104186      4.475222
  H      -0.120295      0.993840      7.699991
  H      -1.401038      1.518508      8.812754
  H      -0.028285      3.077895      6.550302
  H      -0.401071      3.638951      8.203656
  H      -2.384841      6.011648      4.335277
  H      -1.296357      4.606311      4.087659
  H      -2.429140      5.741166      6.684427
  H      -0.741952      5.309967      6.331102
  H      -5.171676      3.788658      8.199707
  H      -4.644149      4.760625      6.825124
  H      -2.936513      2.929074      8.586435
  H      -2.797133      4.700548      8.513545
  C      -2.571905     -0.041483      6.532971
  N      -3.443844      0.251982      5.535162
  C      -4.048122      0.072701      4.343268
  O      -4.142353      1.214862      3.750436
  C      -4.558768     -1.168364      3.798483
  C      -5.119793     -1.180280      2.508229
  C      -5.612306     -2.373921      1.993208
  C      -5.551776     -3.550835      2.745983
  C      -4.993293     -3.525056      4.028829
  Br     -4.917291     -5.121843      5.051977
  C      -4.497385     -2.344907      4.567630
  C      -4.524308      4.619866      4.254942
  N      -4.794902      5.879822      4.301330
  C      -6.093510      6.278716      3.941029
  O      -6.582185      6.021881      2.845846
  C      -6.824908      7.047536      4.992722
  C      -8.151702      7.432709      4.753876
  C      -8.877061      8.080003      5.750931
  C      -8.299071      8.341325      6.997726
  C      -6.978002      7.952514      7.220549
  Br     -6.171315      8.287174      8.919863
  C      -6.230455      7.319480      6.233745
  C      -5.821844      2.116457      6.431774
  N      -6.868836      2.639736      7.005110
  C      -8.054132      1.900357      6.913503
  O      -8.090440      0.670852      6.808696
  C      -9.297382      2.726913      6.986496
  C      -9.254113      4.124403      7.106301
  C     -10.439760      4.856960      7.142978
  C     -11.675872      4.211665      7.065613
  C     -11.703757      2.819595      6.949120
  Br    -13.389620      1.930402      6.843823
  C     -10.535005      2.069727      6.907756
  H      -2.358001     -1.033062      6.952287
  H      -5.161589     -0.257501      1.930421
  H      -6.052042     -2.398862      0.995913
  H      -5.940505     -4.485210      2.341005
  H      -4.088185     -2.334556      5.577222
  H      -5.297297      3.865589      4.048797
  H      -8.597697      7.206436      3.785399
  H      -9.909146      8.382328      5.567570
  H      -8.867344      8.840443      7.782450
  H      -5.194429      7.038443      6.413830
  H      -5.914910      1.208699      5.818489
  H      -8.289103      4.625219      7.173038
  H     -10.406072      5.943386      7.234102
  H     -12.605761      4.779287      7.096532
  H     -10.555801      0.984394      6.814232
  N      -1.365273      2.077928      4.412394
  H      -0.421020      2.015470      4.016694
73
Coordinates from ORCA-job orca E -13783.468441114388
  N      -2.064240      1.103509      6.873248
  Mo     -2.896088      2.268762      5.251128
  N      -4.593436      2.664724      6.502670
  C      -4.444058      3.828821      7.377963
  C      -3.037815      3.799610      7.928663
  N      -2.030975      3.666126      6.815181
  C      -0.774656      3.046308      7.352847
  C      -1.045189      1.586895      7.772649
  C      -1.789195      5.014348      6.170002
  C      -2.141693      4.994202      4.675577
  N      -3.281562      4.103424      4.474991
  H      -0.121438      0.993151      7.698350
  H      -1.401751      1.517789      8.811658
  H      -0.029845      3.077439      6.548800
  H      -0.401925      3.638271      8.202363
  H      -2.385416      6.010228      4.333573
  H      -1.297856      4.603883      4.087263
  H      -2.431467      5.740372      6.683068
  H      -0.743890      5.309940      6.330487
  H      -5.172917      3.790038      8.199617
  H      -4.644819      4.761405      6.824853
  H      -2.937971      2.928770      8.586081
  H      -2.797563      4.700153      8.513416
  C      -2.573346     -0.041972      6.532197
  N      -3.447957      0.251905      5.536606
  C      -4.048705      0.071234      4.342917
  O      -4.143550      1.212999      3.749638
  C      -4.555845     -1.170912      3.797294
  C      -5.110462     -1.184897      2.504277
  C      -5.599395     -2.379599      1.988304
  C      -5.541678     -3.555491      2.742912
  C      -4.989709     -3.527603      4.028523
  Br     -4.917918     -5.123002      5.054138
  C      -4.497362     -2.346380      4.568281
  C      -4.525979      4.619810      4.255011
  N      -4.795542      5.880035      4.300392
  C      -6.094025      6.279702      3.940406
  O      -6.582790      6.023687      2.845085
  C      -6.825069      7.048368      4.992471
  C      -8.151758      7.434120      4.754054
  C      -8.876588      8.081434      5.751485
  C      -8.298179      8.342136      6.998220
  C      -6.977259      7.952612      7.220661
  Br     -6.170222      8.285907      8.920055
  C      -6.230187      7.319638      6.233447
  C      -5.824233      2.117518      6.432278
  N      -6.870814      2.641190      7.006122
  C      -8.056564      1.902589      6.914245
  O      -8.093883      0.673242      6.808245
  C      -9.299344      2.729880      6.988657
  C      -9.255233      4.127121      7.111010
  C     -10.440411      4.860309      7.149310
  C     -11.676943      4.215951      7.070914
  C     -11.705679      2.824100      6.951773
  Br    -13.392058      1.936096      6.844974
  C     -10.537370      2.073603      6.908893
  H      -2.357296     -1.033817      6.949797
  H      -5.150025     -0.262882      1.925100
  H      -6.034070     -2.406193      0.988832
  H      -5.927615     -4.490689      2.337152
  H      -4.093588     -2.334312      5.580044
  H      -5.299646      3.865872      4.050276
  H      -8.598025      7.208399      3.785588
  H      -9.908594      8.384250      5.568509
  H      -8.866095      8.841205      7.783238
  H      -5.194214      7.038177      6.413173
  H      -5.917743      1.209883      5.818879
  H      -8.289841      4.627111      7.178421
  H     -10.406157      5.946545      7.242567
  H     -12.606477      4.784086      7.103026
  H     -10.558851      0.988445      6.813473
  N      -1.368279      2.076299      4.411552
  H      -0.424833      2.011642      4.014330
73
Coordinates from ORCA-job orca E -13783.468442524454
  N      -2.064247      1.103082      6.872556
  Mo     -2.897485      2.268039      5.251354
  N      -4.594615      2.664235      6.503290
  C      -4.444531      3.827900      7.378945
  C      -3.037834      3.798576      7.928924
  N      -2.031597      3.665537      6.814880
  C      -0.774640      3.045998      7.351308
  C      -1.044344      1.586392      7.771007
  C      -1.790644      5.013803      6.169581
  C      -2.143591      4.993525      4.675338
  N      -3.283617      4.102702      4.475481
  H      -0.120519      0.992890      7.695598
  H      -1.399926      1.516932      8.810324
  H      -0.030512      3.077560      6.546644
  H      -0.401404      3.637795      8.200726
  H      -2.387559      6.009473      4.333291
  H      -1.300056      4.603000      4.086745
  H      -2.433067      5.739545      6.682866
  H      -0.745410      5.309919      6.329608
  H      -5.172929      3.788690      8.201007
  H      -4.645728      4.760781      6.826473
  H      -2.937576      2.927603      8.586110
  H      -2.797306      4.698940      8.513832
  C      -2.572512     -0.042609      6.531104
  N      -3.449826      0.251205      5.537749
  C      -4.048690      0.069610      4.343081
  O      -4.144464      1.211081      3.749652
  C      -4.553638     -1.173339      3.797191
  C      -5.104588     -1.188863      2.502623
  C      -5.591236     -2.384380      1.986355
  C      -5.534929     -3.559504      2.742271
  C      -4.986742     -3.530046      4.029463
  Br     -4.917259     -5.124435      5.056794
  C      -4.496620     -2.348013      4.569493
  C      -4.528090      4.619363      4.256420
  N      -4.797186      5.879736      4.301731
  C      -6.095674      6.279646      3.941931
  O      -6.584690      6.023291      2.846792
  C      -6.826372      7.048984      4.993732
  C      -8.152834      7.435396      4.755317
  C      -8.877126      8.083563      5.752600
  C      -8.298419      8.344382      6.999153
  C      -6.977721      7.954061      7.221663
  Br     -6.170487      8.287246      8.920944
  C      -6.231148      7.320314      6.234570
  C      -5.825669      2.117756      6.432317
  N      -6.871992      2.641690      7.006490
  C      -8.058311      1.904171      6.913299
  O      -8.096793      0.675026      6.805569
  C      -9.300483      2.732403      6.988512
  C      -9.255351      4.129367      7.113547
  C     -10.439969      4.863379      7.152732
  C     -11.676983      4.220200      7.072463
  C     -11.706746      2.828584      6.950595
  Br    -13.393686      1.941995      6.841150
  C     -10.538988      2.077263      6.906890
  H      -2.353862     -1.034765      6.946649
  H      -5.143070     -0.267421      1.922465
  H      -6.022989     -2.412228      0.985650
  H      -5.919088     -4.495322      2.336243
  H      -4.096021     -2.334577      5.582505
  H      -5.302138      3.865619      4.052534
  H      -8.599341      7.209583      3.786996
  H      -9.908970      8.386941      5.569660
  H      -8.865938      8.844140      7.784023
  H      -5.195314      7.038283      6.414231
  H      -5.919654      1.210653      5.818212
  H      -8.289545      4.628385      7.182258
  H     -10.404993      5.949410      7.248165
  H     -12.606078      4.789020      7.105163
  H     -10.561284      0.992304      6.809432
  N      -1.370984      2.075492      4.409406
  H      -0.429545      2.010564      4.007521
73
Coordinates from ORCA-job orca E -13783.468442923511
  N      -2.064063      1.102849      6.872356
  Mo     -2.898271      2.267415      5.251583
  N      -4.594980      2.663306      6.504203
  C      -4.444610      3.826571      7.380263
  C      -3.037435      3.797657      7.929246
  N      -2.031900      3.665117      6.814603
  C      -0.774272      3.045926      7.349832
  C      -1.043085      1.586161      7.769584
  C      -1.791739      5.013426      6.169155
  C      -2.145493      4.993173      4.675146
  N      -3.285414      4.101992      4.475898
  H      -0.119202      0.992911      7.692930
  H      -1.397442      1.516487      8.809303
  H      -0.030886      3.077849      6.544506
  H      -0.400507      3.637624      8.199093
  H      -2.390182      6.009055      4.333435
  H      -1.302245      4.602964      4.085959
  H      -2.433950      5.739024      6.682914
  H      -0.746457      5.309791      6.328446
  H      -5.172389      3.786514      8.202852
  H      -4.646718      4.759746      6.828588
  H      -2.936402      2.926710      8.586359
  H      -2.796893      4.698043      8.514113
  C      -2.571111     -0.043152      6.530293
  N      -3.450440      0.250257      5.538554
  C      -4.048453      0.068200      4.343408
  O      -4.145024      1.209493      3.749973
  C      -4.552234     -1.175227      3.797486
  C      -5.101709     -1.191654      2.502312
  C      -5.587141     -2.387683      1.986074
  C      -5.531124     -3.562390      2.742655
  C      -4.984481     -3.532027      4.030487
  Br     -4.915611     -5.125879      5.058680
  C      -4.495538     -2.349488      4.570464
  C      -4.530105      4.618621      4.257937
  N      -4.799160      5.879021      4.303957
  C      -6.097826      6.278834      3.944514
  O      -6.587426      6.021463      2.849861
  C      -6.827845      7.049352      4.995867
  C      -8.154246      7.436016      4.757706
  C      -8.877777      8.085496      5.754696
  C      -8.298381      8.347368      7.000676
  C      -6.977708      7.956721      7.222994
  Br     -6.169597      8.291391      8.921529
  C      -6.231899      7.321666      6.236180
  C      -5.826318      2.117665      6.432186
  N      -6.872597      2.641839      7.006263
  C      -8.059352      1.905164      6.911637
  O      -8.098601      0.676164      6.802508
  C      -9.301056      2.734073      6.987052
  C      -9.255209      4.130851      7.113731
  C     -10.439451      4.865470      7.153078
  C     -11.676785      4.223115      7.071331
  C     -11.707262      2.831649      6.947827
  Br    -13.394584      1.946030      6.836343
  C     -10.539901      2.079736      6.903946
  H      -2.350234     -1.035587      6.944032
  H      -5.140005     -0.270531      1.921633
  H      -6.017706     -2.416275      0.984878
  H      -5.914339     -4.498596      2.336626
  H      -4.096242     -2.335181      5.583982
  H      -5.304276      3.864985      4.054207
  H      -8.601338      7.209363      3.789852
  H      -9.909597      8.389082      5.571956
  H      -8.865289      8.848243      7.785276
  H      -5.196096      7.039339      6.415584
  H      -5.920650      1.211043      5.817428
  H      -8.289147      4.629223      7.183522
  H     -10.403962      5.951373      7.249800
  H     -12.605568      4.792441      7.104100
  H     -10.562771      0.994905      6.805212
  N      -1.372762      2.075290      4.407791
  H      -0.432704      2.009933      4.002746
