75
Coordinates from ORCA-job orca E -13784.625858297373
  N      -2.147667      1.056993      5.586687
  Mo     -3.711266      2.326173      5.095560
  N      -4.639283      1.478547      6.841454
  C      -4.401971      2.299328      8.013617
  C      -2.899719      2.515478      8.116270
  N      -2.432424      3.169508      6.873879
  C      -1.011307      2.837628      6.642438
  C      -0.897486      1.358224      6.227201
  C      -2.614021      4.630836      6.993600
  C      -3.182745      5.177654      5.687494
  N      -4.238395      4.279281      5.253031
  H      -0.054487      1.218223      5.538888
  H      -0.737005      0.701282      7.091623
  H      -0.641475      3.472936      5.832610
  H      -0.421272      3.034660      7.544967
  H      -3.586177      6.186787      5.826357
  H      -2.409397      5.209037      4.907806
  H      -3.339046      4.840072      7.784399
  H      -1.672486      5.127090      7.246233
  H      -4.769238      1.766982      8.898472
  H      -4.950882      3.248650      7.927527
  H      -2.429618      1.534715      8.217642
  H      -2.640494      3.118968      8.991829
  C      -2.478362     -0.004552      4.932698
  N      -3.661200      0.189142      4.344470
  C      -4.352146     -0.703785      3.606034
  O      -5.194050     -0.301119      2.790686
  C      -4.099526     -2.154621      3.806070
  C      -4.155427     -3.020643      2.715782
  C      -3.935312     -4.375083      2.894639
  C      -3.673913     -4.883141      4.157038
  C      -3.646652     -4.016497      5.238101
  Br     -3.304822     -4.693255      6.985180
  C      -3.855896     -2.658242      5.082155
  C      -5.420889      4.801852      5.036623
  N      -5.796108      6.022470      5.334913
  C      -7.014306      6.378216      4.834595
  O      -7.505363      5.857684      3.827587
  C      -7.703709      7.459260      5.574614
  C      -8.816875      8.082629      5.015896
  C      -9.506879      9.048195      5.726612
  C      -9.098761      9.398542      7.003467
  C      -7.987771      8.773410      7.546309
  Br     -7.420764      9.235123      9.300542
  C      -7.282084      7.811507      6.852703
  C      -5.746528      1.660138      6.170653
  N      -6.651644      2.593686      6.492465
  C      -7.706305      2.788798      5.701190
  O      -7.856469      2.284536      4.559325
  C      -8.691025      3.765180      6.234097
  C      -8.624999      4.220727      7.547915
  C      -9.517612      5.175875      7.998544
  C     -10.474419      5.698207      7.143841
  C     -10.528464      5.238684      5.838127
  Br    -11.826636      5.958232      4.658989
  C      -9.658327      4.274202      5.373650
  H      -1.847598     -0.888005      4.791024
  H      -4.365801     -2.612701      1.739083
  H      -3.969846     -5.041610      2.047650
  H      -3.501919     -5.938036      4.302290
  H      -3.861220     -2.002168      5.941004
  H      -6.179066      4.164456      4.601155
  H      -9.124485      7.793784      4.021699
  H     -10.370615      9.523970      5.289409
  H      -9.634904     10.144915      7.568873
  H      -6.419128      7.324589      7.278521
  H      -6.051835      0.826522      5.520946
  H      -7.867635      3.810737      8.196962
  H      -9.470918      5.520774      9.019759
  H     -11.170960      6.449547      7.480961
  H      -9.692524      3.919589      4.352917
  N      -2.743337      2.743538      3.244663
  H      -1.888636      2.203739      3.116350
  H      -2.474037      3.721984      3.152568
  H      -3.330032      2.536574      2.437622
75
Coordinates from ORCA-job orca E -13784.645146430397
  N      -2.090665      1.067467      5.601160
  Mo     -3.659692      2.332560      5.110152
  N      -4.586177      1.498767      6.867984
  C      -4.337169      2.321049      8.049174
  C      -2.840051      2.530455      8.134472
  N      -2.371495      3.190419      6.878679
  C      -0.944023      2.855985      6.634553
  C      -0.832937      1.377184      6.235226
  C      -2.550514      4.666643      6.985241
  C      -3.098859      5.202995      5.674822
  N      -4.167661      4.299971      5.246128
  H       0.011661      1.230603      5.545823
  H      -0.670263      0.728389      7.108971
  H      -0.580504      3.491251      5.815941
  H      -0.348385      3.066246      7.534676
  H      -3.496005      6.219606      5.796080
  H      -2.310608      5.223345      4.903279
  H      -3.278790      4.881749      7.775646
  H      -1.602034      5.156477      7.243295
  H      -4.697449      1.788063      8.942697
  H      -4.884013      3.275464      7.977971
  H      -2.363168      1.548061      8.228630
  H      -2.563851      3.138033      9.007637
  C      -2.447614     -0.008212      4.956841
  N      -3.637487      0.206182      4.370224
  C      -4.366441     -0.681000      3.618788
  O      -5.195436     -0.258321      2.806092
  C      -4.144690     -2.143174      3.818355
  C      -4.226741     -3.002401      2.716519
  C      -4.044210     -4.370171      2.888355
  C      -3.796094     -4.898904      4.155089
  C      -3.741630     -4.037312      5.247465
  Br     -3.422857     -4.739738      6.990830
  C      -3.911099     -2.665509      5.098613
  C      -5.370913      4.818439      4.993445
  N      -5.746293      6.042158      5.277672
  C      -6.972055      6.422408      4.750010
  O      -7.453213      5.936027      3.717740
  C      -7.692391      7.473408      5.520258
  C      -8.806950      8.101409      4.954422
  C      -9.535472      9.029249      5.690086
  C      -9.167597      9.335063      7.000171
  C      -8.053820      8.705362      7.550629
  Br     -7.545757      9.102113      9.346301
  C      -7.307224      7.783908      6.830371
  C      -5.726632      1.676704      6.197143
  N      -6.636682      2.595169      6.529276
  C      -7.709832      2.801206      5.712464
  O      -7.826596      2.337741      4.557468
  C      -8.722693      3.756412      6.254595
  C      -8.705484      4.164811      7.595883
  C      -9.635672      5.090376      8.057292
  C     -10.580547      5.631519      7.188012
  C     -10.582338      5.223648      5.853843
  Br    -11.857104      5.974870      4.658339
  C      -9.672023      4.292456      5.376876
  H      -1.830070     -0.906141      4.821589
  H      -4.431182     -2.580116      1.734207
  H      -4.099366     -5.036822      2.029336
  H      -3.655116     -5.968936      4.293583
  H      -3.898612     -2.012748      5.969956
  H      -6.112522      4.162527      4.523066
  H      -9.090487      7.842066      3.936117
  H     -10.405634      9.511336      5.247361
  H      -9.739431     10.051809      7.586258
  H      -6.441255      7.291095      7.264663
  H      -6.021022      0.857725      5.514528
  H      -7.956219      3.741094      8.260727
  H      -9.627028      5.400975      9.101194
  H     -11.304997      6.365328      7.535589
  H      -9.654607      3.990261      4.332531
  N      -2.685134      2.745152      3.222254
  H      -1.830742      2.193605      3.086238
  H      -2.409225      3.728030      3.114957
  H      -3.288713      2.533691      2.416695
75
Coordinates from ORCA-job orca E -13784.654516689623
  N      -2.048189      1.079857      5.606970
  Mo     -3.625492      2.335964      5.122047
  N      -4.552183      1.524265      6.886029
  C      -4.295045      2.351846      8.068947
  C      -2.802360      2.557581      8.140660
  N      -2.333346      3.217850      6.874369
  C      -0.901577      2.883197      6.616709
  C      -0.786695      1.403873      6.233075
  C      -2.515385      4.703567      6.969101
  C      -3.046841      5.227345      5.653592
  N      -4.115039      4.315689      5.232695
  H       0.058382      1.252929      5.543469
  H      -0.619953      0.764574      7.114490
  H      -0.550487      3.519338      5.791254
  H      -0.301424      3.110653      7.511518
  H      -3.446057      6.246589      5.756283
  H      -2.248928      5.242423      4.889654
  H      -3.246563      4.914414      7.759801
  H      -1.563907      5.187267      7.236143
  H      -4.648477      1.822733      8.969853
  H      -4.842843      3.307871      8.006798
  H      -2.314141      1.578951      8.229420
  H      -2.510016      3.173369      9.005386
  C      -2.433562     -0.008091      4.978458
  N      -3.627350      0.230266      4.400035
  C      -4.392201     -0.648375      3.640375
  O      -5.210156     -0.206104      2.837506
  C      -4.191623     -2.114762      3.846243
  C      -4.307188     -2.973032      2.742290
  C      -4.151206     -4.347437      2.914642
  C      -3.897993     -4.883546      4.182908
  C      -3.808157     -4.020823      5.276934
  Br     -3.485211     -4.732507      7.015735
  C      -3.948318     -2.641806      5.127304
  C      -5.338510      4.816038      4.953961
  N      -5.715136      6.029526      5.246948
  C      -6.967028      6.408095      4.739754
  O      -7.447572      5.958970      3.693757
  C      -7.688957      7.433364      5.550150
  C      -8.816243      8.068292      5.009386
  C      -9.542608      8.975387      5.779163
  C      -9.163841      9.251130      7.098414
  C      -8.040818      8.609028      7.625042
  Br     -7.522124      8.958980      9.432295
  C      -7.292888      7.711440      6.869368
  C      -5.726837      1.696230      6.228382
  N      -6.630121      2.601685      6.562477
  C      -7.707944      2.792686      5.704590
  O      -7.783724      2.319938      4.561581
  C      -8.739315      3.747262      6.214083
  C      -8.756889      4.175338      7.554097
  C      -9.715222      5.094250      7.982120
  C     -10.653237      5.607281      7.081373
  C     -10.617815      5.181336      5.748073
  Br    -11.884406      5.894272      4.513956
  C      -9.677152      4.259852      5.302682
  H      -1.834950     -0.921304      4.853333
  H      -4.519089     -2.547752      1.759359
  H      -4.232247     -5.016841      2.055132
  H      -3.780015     -5.959805      4.320071
  H      -3.909458     -1.988755      6.001331
  H      -6.057589      4.132792      4.469374
  H      -9.112143      7.831834      3.986135
  H     -10.421934      9.467733      5.357632
  H      -9.734005      9.954279      7.708760
  H      -6.417391      7.213136      7.285750
  H      -6.001574      0.898702      5.510541
  H      -8.013316      3.776117      8.245478
  H      -9.734966      5.423556      9.023831
  H     -11.400491      6.333388      7.405193
  H      -9.626860      3.948198      4.259212
  N      -2.640687      2.745193      3.189773
  H      -1.792646      2.183541      3.046276
  H      -2.359529      3.725940      3.065339
  H      -3.258793      2.530341      2.393683
75
Coordinates from ORCA-job orca E -13784.659861568631
  N      -2.015890      1.086441      5.614539
  Mo     -3.589407      2.344829      5.135760
  N      -4.534477      1.552780      6.887470
  C      -4.272851      2.373654      8.075914
  C      -2.781169      2.569681      8.150280
  N      -2.303429      3.233052      6.885377
  C      -0.871460      2.892871      6.623292
  C      -0.756699      1.413413      6.243871
  C      -2.482038      4.722608      6.979260
  C      -2.987617      5.244978      5.655156
  N      -4.049672      4.335222      5.225254
  H       0.091742      1.258864      5.559224
  H      -0.594966      0.776643      7.128205
  H      -0.524573      3.531727      5.798319
  H      -0.270902      3.126141      7.516567
  H      -3.384686      6.266628      5.742709
  H      -2.176689      5.254647      4.905298
  H      -3.221687      4.927589      7.763439
  H      -1.530134      5.194694      7.265941
  H      -4.629573      1.844626      8.975632
  H      -4.816449      3.332801      8.021585
  H      -2.289608      1.592365      8.232465
  H      -2.479339      3.184725      9.012528
  C      -2.427154     -0.003234      4.997008
  N      -3.615562      0.264531      4.420104
  C      -4.404261     -0.595904      3.645769
  O      -5.199734     -0.126209      2.842839
  C      -4.233046     -2.065574      3.852605
  C      -4.366759     -2.916923      2.744617
  C      -4.242654     -4.295114      2.913448
  C      -4.005692     -4.841352      4.181046
  C      -3.897551     -3.984313      5.278567
  Br     -3.599508     -4.710625      7.014613
  C      -4.003849     -2.601426      5.132332
  C      -5.275445      4.825648      4.903914
  N      -5.656370      6.034686      5.186449
  C      -6.910660      6.406308      4.659107
  O      -7.367159      5.958543      3.606237
  C      -7.663812      7.398541      5.482692
  C      -8.800847      8.016416      4.941540
  C      -9.552426      8.895155      5.720271
  C      -9.192467      9.156862      7.048294
  C      -8.062138      8.527587      7.575426
  Br     -7.572347      8.852993      9.396329
  C      -7.286697      7.661313      6.810562
  C      -5.732346      1.728611      6.250144
  N      -6.626828      2.621825      6.602559
  C      -7.708598      2.821231      5.723347
  O      -7.758192      2.372773      4.575922
  C      -8.754165      3.745512      6.251946
  C      -8.794795      4.123903      7.606087
  C      -9.777531      5.006835      8.054534
  C     -10.715345      5.532966      7.160726
  C     -10.652614      5.160709      5.812267
  Br    -11.914105      5.902614      4.587884
  C      -9.687626      4.276569      5.345034
  H      -1.852747     -0.932539      4.882464
  H      -4.568517     -2.485397      1.762648
  H      -4.336693     -4.960968      2.052725
  H      -3.914674     -5.920412      4.314511
  H      -3.952727     -1.953679      6.009340
  H      -5.961108      4.125486      4.394264
  H      -9.085170      7.789626      3.913133
  H     -10.437897      9.377505      5.300280
  H      -9.781608      9.839048      7.663958
  H      -6.404855      7.176224      7.228504
  H      -5.986735      0.960958      5.493922
  H      -8.052661      3.716514      8.293575
  H      -9.816562      5.299652      9.106249
  H     -11.481017      6.230860      7.501858
  H      -9.612483      4.012688      4.290227
  N      -2.578651      2.754334      3.176159
  H      -1.740868      2.179446      3.031202
  H      -2.286557      3.729995      3.045452
  H      -3.204213      2.544826      2.385774
75
Coordinates from ORCA-job orca E -13784.663790468987
  N      -1.986217      1.093934      5.615002
  Mo     -3.558954      2.349734      5.146941
  N      -4.522554      1.583243      6.881751
  C      -4.255234      2.395984      8.074387
  C      -2.762852      2.584088      8.153490
  N      -2.280884      3.248845      6.891155
  C      -0.850092      2.906877      6.623974
  C      -0.731587      1.426758      6.247877
  C      -2.460411      4.738747      6.984380
  C      -2.948303      5.258698      5.651909
  N      -3.997110      4.345462      5.213186
  H       0.120039      1.271614      5.567633
  H      -0.571757      0.792848      7.134563
  H      -0.509091      3.546987      5.797974
  H      -0.246796      3.145696      7.513900
  H      -3.348645      6.279902      5.728778
  H      -2.127405      5.269173      4.913556
  H      -3.209714      4.936807      7.760582
  H      -1.511516      5.205190      7.288986
  H      -4.615984      1.867537      8.972513
  H      -4.794659      3.357621      8.024952
  H      -2.270027      1.607498      8.231915
  H      -2.455334      3.197648      9.014445
  C      -2.418532      0.003663      5.011313
  N      -3.602273      0.292585      4.437146
  C      -4.406180     -0.551594      3.651863
  O      -5.182394     -0.057865      2.846858
  C      -4.262746     -2.022832      3.859687
  C      -4.411592     -2.869222      2.750265
  C      -4.315830     -4.248979      2.917336
  C      -4.094371     -4.800971      4.183947
  C      -3.971463     -3.948309      5.282525
  Br     -3.696644     -4.683604      7.017618
  C      -4.047969     -2.564030      5.137854
  C      -5.225176      4.816797      4.862178
  N      -5.626815      6.016944      5.144496
  C      -6.896599      6.364660      4.627221
  O      -7.333848      5.935420      3.561676
  C      -7.656724      7.341697      5.461032
  C      -8.798543      7.955470      4.926401
  C      -9.552194      8.824595      5.711898
  C      -9.192172      9.078759      7.040172
  C      -8.060297      8.449507      7.561455
  Br     -7.574683      8.758305      9.385700
  C      -7.280105      7.595514      6.789372
  C      -5.740599      1.757120      6.271466
  N      -6.632087      2.639651      6.638138
  C      -7.715927      2.836033      5.743026
  O      -7.743424      2.393913      4.595241
  C      -8.767601      3.749683      6.269635
  C      -8.821843      4.118456      7.623927
  C      -9.819685      4.984409      8.069473
  C     -10.758869      5.501345      7.173022
  C     -10.681300      5.139242      5.824171
  Br    -11.947532      5.868337      4.596685
  C      -9.700656      4.273384      5.358528
  H      -1.867450     -0.940290      4.908107
  H      -4.603100     -2.433675      1.768926
  H      -4.420383     -4.912218      2.056867
  H      -4.026973     -5.881168      4.315816
  H      -3.986745     -1.920001      6.016089
  H      -5.882049      4.092595      4.347305
  H      -9.085341      7.733618      3.898334
  H     -10.439901      9.306243      5.298087
  H      -9.781957      9.755039      7.660083
  H      -6.395586      7.113974      7.203643
  H      -5.970116      1.019299      5.479089
  H      -8.079339      3.720003      8.314623
  H      -9.870033      5.271959      9.121257
  H     -11.537920      6.183434      7.513747
  H      -9.614551      4.017714      4.302790
  N      -2.522392      2.758264      3.165450
  H      -1.694299      2.170910      3.021549
  H      -2.220766      3.729259      3.030480
  H      -3.154944      2.552679      2.381131
75
Coordinates from ORCA-job orca E -13784.666943156035
  N      -1.961762      1.099494      5.614411
  Mo     -3.530087      2.357488      5.160330
  N      -4.517610      1.619369      6.873175
  C      -4.242192      2.416224      8.073723
  C      -2.747469      2.591716      8.159791
  N      -2.259756      3.258786      6.902965
  C      -0.831513      2.912768      6.632558
  C      -0.712496      1.432197      6.255068
  C      -2.437359      4.747337      6.999118
  C      -2.907678      5.269914      5.658904
  N      -3.943721      4.355808      5.205294
  H       0.143003      1.277168      5.579982
  H      -0.556854      0.797843      7.142066
  H      -0.492250      3.553136      5.806469
  H      -0.224259      3.150923      7.519852
  H      -3.309516      6.290838      5.730319
  H      -2.076519      5.282734      4.932726
  H      -3.198557      4.941272      7.764294
  H      -1.492759      5.209063      7.322288
  H      -4.610629      1.886168      8.967281
  H      -4.773362      3.382589      8.030274
  H      -2.260409      1.612267      8.234473
  H      -2.436934      3.198471      9.023948
  C      -2.412487      0.011729      5.022165
  N      -3.591010      0.317904      4.448009
  C      -4.401988     -0.508661      3.651849
  O      -5.159130      0.007519      2.841574
  C      -4.288151     -1.981306      3.855333
  C      -4.448944     -2.820991      2.743218
  C      -4.381483     -4.201937      2.906031
  C      -4.177969     -4.760993      4.170988
  C      -4.043464     -3.914814      5.272063
  Br     -3.794547     -4.660360      7.006286
  C      -4.090829     -2.529818      5.131465
  C      -5.166070      4.813822      4.823880
  N      -5.584800      6.011204      5.092572
  C      -6.853649      6.344603      4.563196
  O      -7.279116      5.897482      3.501345
  C      -7.638239      7.294389      5.403816
  C      -8.791995      7.886635      4.872227
  C      -9.560675      8.739059      5.659450
  C      -9.205841      8.995015      6.987290
  C      -8.065233      8.382901      7.506883
  Br     -7.589664      8.688319      9.333100
  C      -7.268458      7.548110      6.732607
  C      -5.748554      1.794502      6.291352
  N      -6.637200      2.667493      6.678962
  C      -7.718395      2.874801      5.777704
  O      -7.733924      2.446815      4.624067
  C      -8.780843      3.764735      6.315708
  C      -8.847825      4.106289      7.674417
  C      -9.863249      4.944629      8.129699
  C     -10.807670      5.459427      7.239223
  C     -10.716337      5.125461      5.885754
  Br    -11.989853      5.853184      4.665843
  C      -9.717680      4.287985      5.409591
  H      -1.885737     -0.946634      4.928388
  H      -4.627487     -2.379448      1.763016
  H      -4.494405     -4.860456      2.044183
  H      -4.133566     -5.841936      4.299852
  H      -4.021452     -1.890549      6.011723
  H      -5.800097      4.073794      4.302440
  H      -9.075069      7.663114      3.844183
  H     -10.455709      9.206543      5.247615
  H      -9.805994      9.659989      7.608041
  H      -6.375411      7.083398      7.145654
  H      -5.958538      1.089667      5.464518
  H      -8.101842      3.710175      8.361248
  H      -9.923767      5.212301      9.185258
  H     -11.602046      6.117596      7.588996
  H      -9.621382      4.054174      4.349941
  N      -2.465145      2.762503      3.167993
  H      -1.647956      2.160954      3.027183
  H      -2.151041      3.728459      3.033722
  H      -3.103000      2.564259      2.387627
75
Coordinates from ORCA-job orca E -13784.669702013209
  N      -1.940521      1.102473      5.607467
  Mo     -3.511548      2.357555      5.177715
  N      -4.516794      1.640030      6.868547
  C      -4.232233      2.413149      8.081750
  C      -2.735278      2.580700      8.169847
  N      -2.248471      3.257117      6.920005
  C      -0.821735      2.914987      6.642827
  C      -0.696811      1.436111      6.256708
  C      -2.431046      4.742669      7.025277
  C      -2.891416      5.272527      5.681859
  N      -3.912509      4.353788      5.210118
  H       0.162265      1.288769      5.584552
  H      -0.541044      0.797252      7.140377
  H      -0.487229      3.559127      5.817899
  H      -0.208912      3.149596      7.527212
  H      -3.300086      6.290373      5.756238
  H      -2.052488      5.296291      4.965157
  H      -3.203962      4.928336      7.780607
  H      -1.493132      5.205724      7.364620
  H      -4.604586      1.874991      8.968375
  H      -4.758103      3.382888      8.050251
  H      -2.253005      1.598314      8.236015
  H      -2.423919      3.176415      9.041048
  C      -2.401853      0.017025      5.022346
  N      -3.579824      0.329949      4.450360
  C      -4.389082     -0.482660      3.644106
  O      -5.134552      0.049729      2.830661
  C      -4.294373     -1.956917      3.834563
  C      -4.462290     -2.786405      2.716297
  C      -4.412652     -4.168811      2.868514
  C      -4.220791     -4.739097      4.129467
  C      -4.079570     -3.903252      5.236836
  Br     -3.848025     -4.664112      6.966995
  C      -4.108602     -2.517330      5.106660
  C      -5.129913      4.795832      4.806199
  N      -5.573217      5.987694      5.062018
  C      -6.836785      6.299871      4.513577
  O      -7.229201      5.860557      3.435235
  C      -7.638246      7.256011      5.329145
  C      -8.774917      7.850229      4.764821
  C      -9.559426      8.711204      5.525540
  C      -9.238746      8.972060      6.860141
  C      -8.116268      8.356990      7.413061
  Br     -7.691496      8.664070      9.250494
  C      -7.302065      7.515947      6.664938
  C      -5.757584      1.812554      6.317112
  N      -6.647079      2.670016      6.734506
  C      -7.728501      2.897779      5.842233
  O      -7.742378      2.502834      4.675149
  C      -8.787345      3.777431      6.399826
  C      -8.855652      4.085799      7.765275
  C      -9.871095      4.912895      8.238973
  C     -10.814301      5.448986      7.360794
  C     -10.721266      5.148327      6.000433
  Br    -11.992079      5.905625      4.796758
  C      -9.722106      4.322740      5.505621
  H      -1.893366     -0.951460      4.931484
  H      -4.632215     -2.335288      1.739295
  H      -4.530505     -4.819260      2.001776
  H      -4.190845     -5.821105      4.250631
  H      -4.034563     -1.885750      5.991669
  H      -5.745928      4.043564      4.279167
  H      -9.033056      7.620371      3.731799
  H     -10.440812      9.179903      5.087712
  H      -9.851757      9.642863      7.460891
  H      -6.422791      7.049851      7.104037
  H      -5.953772      1.143266      5.457467
  H      -8.110204      3.673710      8.442699
  H      -9.932020      5.155577      9.300137
  H     -11.608994      6.098121      7.725747
  H      -9.623573      4.114782      4.440798
  N      -2.426434      2.768224      3.181688
  H      -1.617329      2.156839      3.040690
  H      -2.104004      3.731521      3.053257
  H      -3.069590      2.578128      2.404486
75
Coordinates from ORCA-job orca E -13784.672210993271
  N      -1.922885      1.107493      5.599919
  Mo     -3.492931      2.361966      5.185804
  N      -4.522400      1.681044      6.858815
  C      -4.227473      2.433686      8.082576
  C      -2.727919      2.586784      8.171567
  N      -2.237191      3.263385      6.925219
  C      -0.811666      2.919331      6.647489
  C      -0.685044      1.439934      6.260919
  C      -2.420430      4.747317      7.029966
  C      -2.868765      5.279725      5.681887
  N      -3.878661      4.356179      5.194690
  H       0.179319      1.294586      5.595021
  H      -0.534357      0.799755      7.144493
  H      -0.476753      3.560965      5.820674
  H      -0.194853      3.152534      7.529573
  H      -3.282947      6.295197      5.756694
  H      -2.022541      5.310681      4.974052
  H      -3.205362      4.932606      7.773071
  H      -1.488618      5.212733      7.382389
  H      -4.607422      1.892889      8.963996
  H      -4.743785      3.408794      8.057312
  H      -2.256022      1.599050      8.235171
  H      -2.415339      3.174333      9.047904
  C      -2.393401      0.021300      5.025019
  N      -3.571269      0.335411      4.450867
  C      -4.375786     -0.469264      3.639260
  O      -5.111823      0.070381      2.819266
  C      -4.298797     -1.944591      3.823862
  C      -4.473294     -2.770269      2.703770
  C      -4.439918     -4.153583      2.852961
  C      -4.258071     -4.728572      4.113469
  C      -4.110324     -3.896713      5.222933
  Br     -3.893351     -4.663192      6.953007
  C      -4.122863     -2.510268      5.095658
  C      -5.091020      4.789112      4.776203
  N      -5.548614      5.977849      5.024988
  C      -6.809098      6.283588      4.473922
  O      -7.202232      5.834279      3.398702
  C      -7.622543      7.226242      5.293064
  C      -8.757537      7.821123      4.726029
  C      -9.550765      8.673428      5.487700
  C      -9.242676      8.920677      6.827763
  C      -8.122880      8.303610      7.384236
  Br     -7.718073      8.587754      9.229534
  C      -7.297603      7.475046      6.634066
  C      -5.768373      1.848961      6.328747
  N      -6.661217      2.693414      6.765266
  C      -7.736966      2.934041      5.878194
  O      -7.755594      2.545665      4.707236
  C      -8.803563      3.802234      6.440256
  C      -8.876213      4.103645      7.807241
  C      -9.902786      4.915056      8.284562
  C     -10.855375      5.439846      7.409298
  C     -10.759501      5.145091      6.047549
  Br    -12.049978      5.875253      4.848621
  C      -9.746098      4.338514      5.548755
  H      -1.903546     -0.957706      4.941437
  H      -4.635412     -2.314580      1.727389
  H      -4.562693     -4.800574      1.984194
  H      -4.241028     -5.811228      4.232782
  H      -4.043985     -1.881083      5.982017
  H      -5.704781      4.030856      4.251875
  H      -9.006558      7.599077      3.688917
  H     -10.429998      9.142971      5.046649
  H      -9.864105      9.582203      7.430296
  H      -6.419907      7.007974      7.075666
  H      -5.956070      1.208788      5.444126
  H      -8.124678      3.698266      8.482358
  H      -9.966484      5.152062      9.346977
  H     -11.660998      6.073489      7.778102
  H      -9.644976      4.134639      4.483000
  N      -2.384212      2.760923      3.192390
  H      -1.584170      2.136920      3.056490
  H      -2.049806      3.720187      3.066317
  H      -3.030542      2.577389      2.416364
75
Coordinates from ORCA-job orca E -13784.674448869800
  N      -1.909510      1.109415      5.588835
  Mo     -3.485577      2.358945      5.198834
  N      -4.531820      1.704154      6.858193
  C      -4.226361      2.429425      8.096324
  C      -2.725160      2.573642      8.178862
  N      -2.236591      3.257981      6.936141
  C      -0.810189      2.919075      6.655007
  C      -0.677233      1.441373      6.262191
  C      -2.427212      4.740358      7.045625
  C      -2.867938      5.279206      5.696979
  N      -3.866310      4.349748      5.191220
  H       0.192314      1.303964      5.601153
  H      -0.529464      0.795992      7.142431
  H      -0.478473      3.563037      5.828568
  H      -0.190430      3.150352      7.535681
  H      -3.292132      6.290021      5.777325
  H      -2.016558      5.323702      4.996117
  H      -3.222125      4.919498      7.779835
  H      -1.502363      5.211170      7.409385
  H      -4.608339      1.878544      8.970270
  H      -4.737621      3.407603      8.085503
  H      -2.259163      1.582317      8.232740
  H      -2.409701      3.150564      9.061498
  C      -2.383524      0.021422      5.018631
  N      -3.565124      0.331067      4.446945
  C      -4.362193     -0.470271      3.628979
  O      -5.096762      0.070464      2.807269
  C      -4.287524     -1.947453      3.802210
  C      -4.464632     -2.766076      2.677114
  C      -4.433722     -4.150793      2.817414
  C      -4.251427     -4.734722      4.074547
  C      -4.100830     -3.910042      5.189424
  Br     -3.883927     -4.687854      6.914860
  C      -4.110829     -2.522387      5.070965
  C      -5.076625      4.774303      4.759414
  N      -5.547360      5.959756      5.000268
  C      -6.797981      6.262542      4.430802
  O      -7.174923      5.816849      3.347467
  C      -7.625874      7.207554      5.233815
  C      -8.741753      7.813953      4.640861
  C      -9.544976      8.673669      5.384672
  C      -9.267443      8.914591      6.733184
  C      -8.168610      8.283476      7.316379
  Br     -7.809005      8.555961      9.173082
  C      -7.332156      7.449308      6.584026
  C      -5.783315      1.866957      6.346298
  N      -6.679833      2.692177      6.809976
  C      -7.754880      2.953571      5.936062
  O      -7.782273      2.592638      4.755661
  C      -8.814255      3.823406      6.512046
  C      -8.885487      4.102501      7.884666
  C      -9.905457      4.914991      8.375387
  C     -10.852668      5.463487      7.507961
  C     -10.757901      5.191492      6.140527
  Br    -12.040464      5.952526      4.952500
  C      -9.750941      4.383742      5.628895
  H      -1.904767     -0.963389      4.934688
  H      -4.626908     -2.303063      1.703832
  H      -4.558735     -4.791614      1.943955
  H      -4.236326     -5.818464      4.187108
  H      -4.029763     -1.898611      5.961194
  H      -5.686543      4.014457      4.230258
  H      -8.966276      7.596574      3.596844
  H     -10.407685      9.153841      4.922169
  H      -9.896607      9.582089      7.321686
  H      -6.469564      6.972658      7.045661
  H      -5.971201      1.257209      5.439074
  H      -8.137939      3.677631      8.552951
  H      -9.967976      5.133901      9.442098
  H     -11.654030      6.096737      7.887435
  H      -9.650190      4.195204      4.559861
  N      -2.363888      2.754823      3.210428
  H      -1.570123      2.122912      3.074307
  H      -2.021294      3.711783      3.089097
  H      -3.013151      2.579038      2.434879
75
Coordinates from ORCA-job orca E -13784.676430804375
  N      -1.897928      1.110567      5.581939
  Mo     -3.474136      2.358840      5.206135
  N      -4.543033      1.735540      6.852033
  C      -4.229683      2.438871      8.102011
  C      -2.727261      2.572401      8.182264
  N      -2.235596      3.258351      6.941823
  C      -0.808568      2.918773      6.663779
  C      -0.673386      1.440500      6.271944
  C      -2.430352      4.740428      7.049788
  C      -2.858765      5.282135      5.697540
  N      -3.846046      4.348679      5.172864
  H       0.204023      1.304263      5.620539
  H      -0.535611      0.793376      7.152559
  H      -0.475387      3.561503      5.837010
  H      -0.189515      3.150468      7.544793
  H      -3.291327      6.289350      5.778766
  H      -1.999932      5.336526      5.005741
  H      -3.235458      4.916596      7.774303
  H      -1.511270      5.214100      7.425962
  H      -4.615550      1.880905      8.969668
  H      -4.735160      3.420752      8.101820
  H      -2.267823      1.577436      8.230856
  H      -2.408159      3.142518      9.068433
  C      -2.376979      0.021067      5.017451
  N      -3.558733      0.330357      4.445051
  C      -4.352021     -0.467710      3.620915
  O      -5.082721      0.074522      2.797508
  C      -4.282036     -1.945215      3.789078
  C      -4.462114     -2.759414      2.661282
  C      -4.435697     -4.143930      2.796968
  C      -4.254673     -4.732219      4.052269
  C      -4.100628     -3.911885      5.169977
  Br     -3.885464     -4.695128      6.892862
  C      -4.106116     -2.524640      5.056098
  C      -5.055365      4.765874      4.727081
  N      -5.536231      5.947338      4.966311
  C      -6.785818      6.245205      4.393317
  O      -7.157935      5.800371      3.306379
  C      -7.619852      7.185505      5.194488
  C      -8.723851      7.803164      4.590765
  C      -9.532061      8.659682      5.332104
  C      -9.272941      8.883578      6.689192
  C      -8.186266      8.240227      7.283211
  Br     -7.853891      8.486847      9.151632
  C      -7.343325      7.411708      6.553096
  C      -5.799169      1.895584      6.352225
  N      -6.697632      2.708120      6.835934
  C      -7.772104      2.985019      5.967101
  O      -7.811322      2.629370      4.785852
  C      -8.829196      3.850545      6.554444
  C      -8.892217      4.120440      7.929147
  C      -9.911378      4.925605      8.431201
  C     -10.866991      5.474444      7.573080
  C     -10.781090      5.211157      6.203409
  Br    -12.079996      5.965899      5.029022
  C      -9.773399      4.413060      5.680452
  H      -1.906668     -0.969289      4.947276
  H      -4.623251     -2.292738      1.689534
  H      -4.563242     -4.781114      1.921085
  H      -4.243055     -5.815766      4.161229
  H      -4.022508     -1.904164      5.948436
  H      -5.661077      4.001285      4.197334
  H      -8.934662      7.597338      3.540210
  H     -10.385117      9.149348      4.860993
  H      -9.907260      9.547123      7.275920
  H      -6.490111      6.925788      7.023184
  H      -5.984453      1.310872      5.424661
  H      -8.139260      3.693431      8.590080
  H      -9.967628      5.137133      9.499589
  H     -11.669146      6.099990      7.961866
  H      -9.679304      4.230901      4.609991
  N      -2.333377      2.744055      3.221138
  H      -1.547174      2.101701      3.087996
  H      -1.979316      3.697267      3.101755
  H      -2.983853      2.576021      2.444800
75
Coordinates from ORCA-job orca E -13784.678275743703
  N      -1.885543      1.115105      5.577471
  Mo     -3.459852      2.362889      5.210389
  N      -4.554398      1.778533      6.847705
  C      -4.237866      2.462795      8.106314
  C      -2.734587      2.584535      8.184047
  N      -2.235966      3.265005      6.942492
  C      -0.807025      2.921550      6.674382
  C      -0.671036      1.441500      6.288912
  C      -2.432687      4.748684      7.039691
  C      -2.844998      5.288414      5.681649
  N      -3.824265      4.353200      5.142035
  H       0.216564      1.302890      5.651639
  H      -0.549409      0.794198      7.171743
  H      -0.468528      3.560110      5.846770
  H      -0.193403      3.156844      7.558204
  H      -3.284804      6.293069      5.759363
  H      -1.979884      5.347762      4.998458
  H      -3.246843      4.926648      7.753433
  H      -1.518682      5.224369      7.425894
  H      -4.629026      1.899715      8.967926
  H      -4.737766      3.447124      8.113203
  H      -2.282653      1.586355      8.231327
  H      -2.410570      3.152213      9.070092
  C      -2.366712      0.021109      5.018888
  N      -3.546966      0.327599      4.442571
  C      -4.335456     -0.470958      3.610111
  O      -5.058336      0.071290      2.780553
  C      -4.271318     -1.950475      3.779116
  C      -4.448825     -2.761487      2.649004
  C      -4.435030     -4.147978      2.783402
  C      -4.268662     -4.741653      4.039438
  C      -4.115793     -3.924092      5.159252
  Br     -3.921838     -4.714597      6.882876
  C      -4.108590     -2.534855      5.046682
  C      -5.033652      4.769574      4.689756
  N      -5.513311      5.949531      4.929932
  C      -6.772785      6.238792      4.374547
  O      -7.163759      5.782191      3.304953
  C      -7.604454      7.172803      5.187131
  C      -8.730336      7.774972      4.609847
  C      -9.537059      8.620504      5.367370
  C      -9.253359      8.849739      6.711938
  C      -8.143811      8.223172      7.277724
  Br     -7.775364      8.480522      9.127058
  C      -7.302581      7.405332      6.532728
  C      -5.811944      1.932751      6.348142
  N      -6.716405      2.730263      6.841848
  C      -7.792579      3.007043      5.972363
  O      -7.836323      2.644461      4.794688
  C      -8.853416      3.870434      6.559992
  C      -8.909602      4.150536      7.931331
  C      -9.936059      4.947635      8.435491
  C     -10.906105      5.477343      7.582157
  C     -10.827734      5.203244      6.215847
  Br    -12.152526      5.924838      5.050119
  C      -9.811930      4.414631      5.691006
  H      -1.895219     -0.970516      4.975635
  H      -4.599775     -2.291033      1.676753
  H      -4.561930     -4.782495      1.905510
  H      -4.268088     -5.827095      4.147289
  H      -4.028219     -1.917040      5.940693
  H      -5.641701      4.004077      4.168493
  H      -8.960933      7.563758      3.569157
  H     -10.408227      9.097118      4.918108
  H      -9.886663      9.504138      7.310895
  H      -6.431878      6.932131      6.981803
  H      -5.998066      1.366790      5.411555
  H      -8.146662      3.736187      8.588702
  H      -9.987416      5.166451      9.501563
  H     -11.714893      6.095350      7.972621
  H      -9.725645      4.221638      4.623944
  N      -2.298365      2.726265      3.233279
  H      -1.519161      2.074054      3.106455
  H      -1.931741      3.674814      3.112233
  H      -2.945171      2.564290      2.452865
75
Coordinates from ORCA-job orca E -13784.679710854425
  N      -1.877692      1.119085      5.556727
  Mo     -3.454899      2.365057      5.209686
  N      -4.560936      1.810805      6.845757
  C      -4.238262      2.473324      8.111395
  C      -2.733904      2.586871      8.176686
  N      -2.237999      3.265269      6.931593
  C      -0.806730      2.921950      6.664813
  C      -0.669314      1.441961      6.281071
  C      -2.438676      4.749902      7.022669
  C      -2.841882      5.288602      5.664332
  N      -3.816823      4.355786      5.113163
  H       0.223601      1.304002      5.652226
  H      -0.557643      0.792503      7.163007
  H      -0.469664      3.560089      5.836189
  H      -0.195463      3.161034      7.549402
  H      -3.287800      6.290423      5.741863
  H      -1.975945      5.353440      4.985416
  H      -3.255357      4.925785      7.732024
  H      -1.528449      5.227221      7.413068
  H      -4.627390      1.901169      8.967135
  H      -4.735800      3.457858      8.132201
  H      -2.285581      1.587158      8.215961
  H      -2.398256      3.151544      9.060280
  C      -2.361280      0.019740      5.004059
  N      -3.543945      0.320050      4.433553
  C      -4.332135     -0.486444      3.600744
  O      -5.058518      0.048211      2.773262
  C      -4.262729     -1.966290      3.781602
  C      -4.450348     -2.785813      2.658759
  C      -4.435710     -4.171429      2.802038
  C      -4.257471     -4.755915      4.058859
  C      -4.093874     -3.929612      5.171300
  Br     -3.883383     -4.707731      6.896067
  C      -4.088136     -2.541148      5.049944
  C      -5.024486      4.782342      4.657149
  N      -5.491435      5.962970      4.907723
  C      -6.740334      6.271647      4.332829
  O      -7.111512      5.845115      3.239497
  C      -7.585999      7.186658      5.160846
  C      -8.683237      7.825527      4.569442
  C      -9.504425      8.649603      5.340202
  C      -9.266489      8.818235      6.711231
  C      -8.185294      8.154686      7.290658
  Br     -7.881193      8.328595      9.176536
  C      -7.327943      7.359658      6.532900
  C      -5.821740      1.963941      6.345679
  N      -6.729723      2.745072      6.855920
  C      -7.804176      3.034203      5.979433
  O      -7.833715      2.696928      4.788291
  C      -8.868359      3.889163      6.579566
  C      -8.945747      4.128149      7.967578
  C      -9.979102      4.911284      8.487756
  C     -10.933134      5.468808      7.633359
  C     -10.831443      5.237975      6.249318
  Br    -12.134841      5.999787      5.082107
  C      -9.810024      4.463031      5.708416
  H      -1.876403     -0.965106      4.991930
  H      -4.610954     -2.323277      1.685687
  H      -4.571514     -4.812422      1.929905
  H      -4.256212     -5.840500      4.173165
  H      -4.000111     -1.917269      5.939143
  H      -5.633055      4.027592      4.127547
  H      -8.879432      7.661065      3.507768
  H     -10.352799      9.156425      4.880392
  H      -9.913111      9.454446      7.319596
  H      -6.479758      6.857203      6.992706
  H      -6.017870      1.416145      5.404463
  H      -8.196350      3.690204      8.625829
  H     -10.049034      5.096279      9.566848
  H     -11.747413      6.075802      8.035840
  H      -9.706029      4.303136      4.626752
  N      -2.291686      2.707292      3.235996
  H      -1.518561      2.049157      3.107723
  H      -1.915581      3.651145      3.111012
  H      -2.936984      2.551455      2.452960
75
Coordinates from ORCA-job orca E -13784.680712874753
  N      -1.890080      1.114331      5.542207
  Mo     -3.486790      2.343695      5.231234
  N      -4.584749      1.794366      6.864462
  C      -4.258361      2.432386      8.140384
  C      -2.754848      2.555477      8.189929
  N      -2.275572      3.244555      6.943203
  C      -0.840078      2.918559      6.668012
  C      -0.687296      1.442697      6.274959
  C      -2.493884      4.727110      7.039271
  C      -2.901664      5.266163      5.685242
  N      -3.867222      4.326591      5.124256
  H       0.209392      1.319126      5.649083
  H      -0.572974      0.787295      7.151762
  H      -0.514790      3.565126      5.840266
  H      -0.227519      3.160547      7.551390
  H      -3.361134      6.260973      5.770785
  H      -2.037596      5.348040      5.007224
  H      -3.311960      4.890870      7.749242
  H      -1.590437      5.214307      7.431283
  H      -4.634789      1.841142      8.988789
  H      -4.764414      3.411914      8.184799
  H      -2.300026      1.557767      8.215427
  H      -2.412152      3.114872      9.074328
  C      -2.367105      0.011556      4.987876
  N      -3.557284      0.295542      4.431142
  C      -4.335160     -0.520264      3.596145
  O      -5.074346      0.002809      2.776999
  C      -4.225545     -1.996288      3.758538
  C      -4.402782     -2.804975      2.626046
  C      -4.343966     -4.185427      2.750221
  C      -4.131521     -4.776224      3.997157
  C      -3.979250     -3.961443      5.119508
  Br     -3.720716     -4.748662      6.830615
  C      -4.017988     -2.578194      5.017298
  C      -5.079291      4.751374      4.677136
  N      -5.541869      5.934780      4.928349
  C      -6.786181      6.255674      4.346613
  O      -7.160623      5.831924      3.252567
  C      -7.609247      7.201063      5.152238
  C      -8.671206      7.874877      4.534303
  C      -9.462517      8.739342      5.278356
  C      -9.233027      8.911252      6.649986
  C      -8.190022      8.208434      7.257637
  Br     -7.898582      8.386942      9.144124
  C      -7.360951      7.374366      6.526024
  C      -5.852501      1.939372      6.374121
  N      -6.767061      2.700025      6.906488
  C      -7.859064      2.978358      6.048865
  O      -7.921927      2.610164      4.877342
  C      -8.884681      3.879835      6.631914
  C      -8.911442      4.178743      7.995643
  C      -9.898837      5.014835      8.492295
  C     -10.857838      5.563823      7.637572
  C     -10.807212      5.271989      6.277952
  Br    -12.112630      6.027735      5.108665
  C      -9.831496      4.445629      5.761068
  H      -1.864257     -0.960834      4.986033
  H      -4.588126     -2.337488      1.660412
  H      -4.470741     -4.817518      1.870363
  H      -4.094283     -5.856332      4.096292
  H      -3.935748     -1.964135      5.914429
  H      -5.686655      4.000291      4.139056
  H      -8.858691      7.710600      3.470515
  H     -10.280637      9.277746      4.796715
  H      -9.855400      9.581247      7.236200
  H      -6.539788      6.843912      7.005937
  H      -6.053229      1.408061      5.424064
  H      -8.156267      3.748378      8.652754
  H      -9.927242      5.250085      9.551388
  H     -11.635826      6.211584      8.021111
  H      -9.763617      4.240817      4.696833
  N      -2.339987      2.691044      3.255729
  H      -1.567017      2.036940      3.116195
  H      -1.966367      3.635104      3.132858
  H      -2.988913      2.540234      2.473324
75
Coordinates from ORCA-job orca E -13784.682415624671
  N      -1.858888      1.120173      5.546352
  Mo     -3.443828      2.360139      5.238510
  N      -4.576321      1.831684      6.844640
  C      -4.252943      2.444830      8.135244
  C      -2.748287      2.557159      8.201513
  N      -2.253406      3.248262      6.962726
  C      -0.818538      2.913515      6.702856
  C      -0.669791      1.436745      6.307296
  C      -2.467009      4.731417      7.060092
  C      -2.849064      5.279188      5.695507
  N      -3.804551      4.342359      5.107859
  H       0.240318      1.308567      5.699806
  H      -0.578241      0.777796      7.185034
  H      -0.479985      3.558862      5.880755
  H      -0.214119      3.149060      7.592501
  H      -3.309101      6.274379      5.778000
  H      -1.968620      5.365303      5.034057
  H      -3.300166      4.895605      7.755758
  H      -1.567126      5.213683      7.473423
  H      -4.640624      1.841638      8.970951
  H      -4.752487      3.428387      8.192878
  H      -2.303180      1.554771      8.226226
  H      -2.408859      3.108158      9.092279
  C      -2.343395      0.022138      4.987809
  N      -3.525552      0.319422      4.423398
  C      -4.303545     -0.480547      3.574372
  O      -5.020939      0.065833      2.742804
  C      -4.233370     -1.962540      3.735030
  C      -4.414081     -2.764872      2.598602
  C      -4.405847     -4.153412      2.722799
  C      -4.241279     -4.758132      3.974350
  C      -4.083423     -3.949017      5.100107
  Br     -3.892692     -4.754932      6.817787
  C      -4.070750     -2.557907      4.997613
  C      -5.013510      4.757116      4.640084
  N      -5.503275      5.936484      4.877614
  C      -6.753561      6.219359      4.288843
  O      -7.108371      5.773245      3.198892
  C      -7.612446      7.148538      5.081981
  C      -8.708937      7.768376      4.464732
  C      -9.537350      8.612965      5.199568
  C      -9.306791      8.821888      6.559379
  C      -8.228394      8.174350      7.165315
  Br     -7.931199      8.408162      9.033346
  C      -7.365559      7.357482      6.445019
  C      -5.840725      1.987978      6.361047
  N      -6.753295      2.740341      6.910771
  C      -7.843120      3.044175      6.059791
  O      -7.919413      2.691861      4.884587
  C      -8.874604      3.918289      6.680027
  C      -8.899838      4.173641      8.057070
  C      -9.902170      4.977777      8.593790
  C     -10.875826      5.540767      7.765778
  C     -10.824982      5.294635      6.392029
  Br    -12.148488      6.071152      5.258097
  C      -9.836348      4.497376      5.835938
  H      -1.857100     -0.962853      4.991996
  H      -4.565295     -2.286391      1.629694
  H      -4.537219     -4.780760      1.840118
  H      -4.246618     -5.845188      4.074248
  H      -3.988966     -1.947944      5.897123
  H      -5.604880      3.992301      4.094029
  H      -8.896420      7.575386      3.409767
  H     -10.383229      9.107616      4.718928
  H      -9.955759      9.478236      7.138321
  H      -6.517184      6.869953      6.924699
  H      -6.032493      1.483443      5.385308
  H      -8.134324      3.732547      8.693925
  H      -9.930563      5.176637      9.664360
  H     -11.666855      6.163442      8.181510
  H      -9.774500      4.322257      4.764167
  N      -2.263945      2.700031      3.270611
  H      -1.501230      2.029540      3.136878
  H      -1.871124      3.639124      3.156991
  H      -2.910005      2.565562      2.483247
75
Coordinates from ORCA-job orca E -13784.683486809765
  N      -1.862988      1.117137      5.536056
  Mo     -3.440661      2.364234      5.233320
  N      -4.593497      1.871407      6.833066
  C      -4.265166      2.471498      8.127502
  C      -2.758461      2.573066      8.192832
  N      -2.256693      3.252263      6.950415
  C      -0.822776      2.906424      6.698535
  C      -0.682250      1.425914      6.313085
  C      -2.462276      4.737393      7.034839
  C      -2.827387      5.280047      5.662328
  N      -3.781842      4.348651      5.065676
  H       0.235384      1.286850      5.719496
  H      -0.608760      0.770636      7.195532
  H      -0.477088      3.543603      5.873464
  H      -0.220821      3.144674      7.589290
  H      -3.283364      6.278238      5.735985
  H      -1.940514      5.359249      5.009730
  H      -3.300360      4.911175      7.721219
  H      -1.563286      5.215289      7.453569
  H      -4.655624      1.863701      8.958019
  H      -4.759432      3.456285      8.194576
  H      -2.322171      1.567572      8.222045
  H      -2.412738      3.125652      9.079900
  C      -2.357149      0.016839      4.983996
  N      -3.537612      0.317448      4.421847
  C      -4.318612     -0.485842      3.578989
  O      -5.038765      0.054813      2.749111
  C      -4.242393     -1.964964      3.746667
  C      -4.430634     -2.775678      2.617726
  C      -4.403397     -4.159473      2.748521
  C      -4.212303     -4.751017      3.999157
  C      -4.048736     -3.934012      5.117725
  Br     -3.818474     -4.721496      6.834181
  C      -4.055763     -2.547711      5.008665
  C      -4.984147      4.773151      4.597326
  N      -5.461436      5.952046      4.845329
  C      -6.711097      6.246059      4.265574
  O      -7.070199      5.817848      3.171956
  C      -7.569473      7.154202      5.086549
  C      -8.666668      7.788626      4.489393
  C      -9.500635      8.606094      5.254018
  C      -9.275820      8.771608      6.623684
  C      -8.194599      8.112600      7.207838
  Br     -7.903672      8.289977      9.088148
  C      -7.324985      7.323362      6.457486
  C      -5.856678      2.030369      6.350386
  N      -6.770732      2.773876      6.903093
  C      -7.859938      3.074863      6.046451
  O      -7.924112      2.726492      4.865510
  C      -8.903624      3.938493      6.666645
  C      -8.942079      4.190546      8.046213
  C      -9.964289      4.976807      8.584433
  C     -10.945538      5.524404      7.756551
  C     -10.882577      5.280993      6.381093
  Br    -12.225228      6.027168      5.251421
  C      -9.872535      4.502743      5.822241
  H      -1.876198     -0.973042      5.005133
  H      -4.599169     -2.306980      1.649156
  H      -4.538556     -4.793168      1.871554
  H      -4.200276     -5.833610      4.103918
  H      -3.965473     -1.931413      5.902879
  H      -5.578765      4.016772      4.053796
  H      -8.852195      7.626922      3.427633
  H     -10.348326      9.110582      4.790298
  H      -9.932457      9.402920      7.227178
  H      -6.476885      6.824245      6.921302
  H      -6.047926      1.538766      5.374015
  H      -8.172734      3.759380      8.684481
  H     -10.003322      5.171780      9.657608
  H     -11.752413      6.132490      8.173772
  H      -9.803835      4.327474      4.748911
  N      -2.253377      2.674834      3.261405
  H      -1.502100      1.990046      3.128919
  H      -1.843173      3.607019      3.143495
  H      -2.901753      2.549395      2.474694
75
Coordinates from ORCA-job orca E -13784.684535757144
  N      -1.852581      1.124578      5.526301
  Mo     -3.439796      2.363739      5.244869
  N      -4.599641      1.878751      6.834491
  C      -4.269445      2.454850      8.139613
  C      -2.762805      2.564024      8.199499
  N      -2.267203      3.250103      6.957561
  C      -0.829995      2.913307      6.704596
  C      -0.680562      1.434234      6.316726
  C      -2.483807      4.733967      7.043670
  C      -2.841057      5.276995      5.670907
  N      -3.784084      4.343016      5.057176
  H       0.243655      1.300532      5.732893
  H      -0.613245      0.777174      7.197909
  H      -0.488580      3.553954      5.879602
  H      -0.228623      3.153748      7.595599
  H      -3.304376      6.271456      5.745827
  H      -1.949538      5.366154      5.027583
  H      -3.327899      4.900691      7.723796
  H      -1.592178      5.217256      7.470021
  H      -4.651708      1.828176      8.959602
  H      -4.769872      3.434051      8.230277
  H      -2.322220      1.560010      8.222114
  H      -2.415526      3.113171      9.087830
  C      -2.346434      0.022941      4.974357
  N      -3.528624      0.317948      4.416720
  C      -4.303780     -0.486615      3.569072
  O      -5.023556      0.052820      2.739325
  C      -4.224909     -1.965511      3.734216
  C      -4.403218     -2.772117      2.601636
  C      -4.380838     -4.157555      2.729912
  C      -4.204773     -4.755042      3.981801
  C      -4.050048     -3.942086      5.103773
  Br     -3.842373     -4.738075      6.822124
  C      -4.051829     -2.554038      4.997126
  C      -4.984579      4.767026      4.582395
  N      -5.463069      5.944585      4.832102
  C      -6.703442      6.245834      4.235513
  O      -7.049154      5.824695      3.132310
  C      -7.568905      7.148412      5.051145
  C      -8.657496      7.786722      4.443352
  C      -9.491998      8.606555      5.199199
  C      -9.276784      8.769760      6.570843
  C      -8.204455      8.105666      7.165946
  Br     -7.922991      8.284935      9.046866
  C      -7.335502      7.312996      6.424826
  C      -5.866083      2.037264      6.359212
  N      -6.785680      2.760285      6.932003
  C      -7.882848      3.063920      6.084884
  O      -7.951937      2.727803      4.898084
  C      -8.916538      3.932512      6.713451
  C      -8.951466      4.172516      8.097745
  C      -9.955168      4.973041      8.638552
  C     -10.921388      5.547020      7.809428
  C     -10.864544      5.312835      6.430321
  Br    -12.188162      6.093351      5.299589
  C      -9.875414      4.518276      5.869545
  H      -1.860490     -0.961378      5.000424
  H      -4.561652     -2.299196      1.632398
  H      -4.509483     -4.788077      1.850178
  H      -4.198757     -5.839593      4.084935
  H      -3.971413     -1.941681      5.893977
  H      -5.571675      4.014356      4.024629
  H      -8.833547      7.628657      3.379247
  H     -10.332168      9.115806      4.727417
  H      -9.933222      9.403739      7.166707
  H      -6.493690      6.810561      6.896252
  H      -6.054994      1.565557      5.372819
  H      -8.191487      3.723337      8.735787
  H      -9.990346      5.160503      9.714447
  H     -11.710435      6.168992      8.227371
  H      -9.811687      4.350028      4.791859
  N      -2.264264      2.671592      3.264055
  H      -1.519144      1.984554      3.121740
  H      -1.849468      3.600636      3.147893
  H      -2.918605      2.555603      2.480576
75
Coordinates from ORCA-job orca E -13784.685514603569
  N      -1.836862      1.130082      5.523628
  Mo     -3.426233      2.369709      5.250991
  N      -4.600004      1.883591      6.827991
  C      -4.271304      2.441016      8.142195
  C      -2.763966      2.555818      8.205935
  N      -2.266705      3.247703      6.967107
  C      -0.826984      2.913733      6.718180
  C      -0.674184      1.435768      6.328184
  C      -2.488159      4.730810      7.057737
  C      -2.832435      5.278485      5.685165
  N      -3.767050      4.347714      5.052427
  H       0.257384      1.301661      5.756600
  H      -0.618400      0.777963      7.209444
  H      -0.484217      3.557249      5.895805
  H      -0.229246      3.152943      7.611874
  H      -3.296920      6.271922      5.761453
  H      -1.933392      5.373489      5.053261
  H      -3.338596      4.891673      7.731610
  H      -1.601424      5.213871      7.494890
  H      -4.647956      1.795774      8.950555
  H      -4.776814      3.415049      8.255243
  H      -2.320531      1.552746      8.225426
  H      -2.418301      3.102477      9.096200
  C      -2.332254      0.030542      4.970256
  N      -3.515397      0.327947      4.412797
  C      -4.292235     -0.474697      3.562269
  O      -5.010517      0.070671      2.733487
  C      -4.221240     -1.955361      3.727988
  C      -4.410590     -2.763170      2.595901
  C      -4.402396     -4.152067      2.724630
  C      -4.228650     -4.751552      3.976496
  C      -4.061344     -3.937110      5.097838
  Br     -3.856155     -4.736012      6.816248
  C      -4.049765     -2.545657      4.990784
  C      -4.966794      4.772915      4.573648
  N      -5.453588      5.947592      4.829282
  C      -6.692265      6.245796      4.224273
  O      -7.020980      5.836107      3.110202
  C      -7.567728      7.141328      5.035414
  C      -8.654025      7.775194      4.417908
  C      -9.497502      8.590279      5.166414
  C      -9.292969      8.754647      6.540733
  C      -8.222844      8.095119      7.146170
  Br     -7.953958      8.279540      9.030624
  C      -7.346505      7.305230      6.412306
  C      -5.863445      2.047820      6.351405
  N      -6.782215      2.763202      6.933520
  C      -7.888985      3.062635      6.094175
  O      -7.981490      2.701893      4.924036
  C      -8.915960      3.931163      6.729218
  C      -8.931519      4.184624      8.106532
  C      -9.930579      4.987578      8.650956
  C     -10.911245      5.551223      7.832705
  C     -10.872527      5.304212      6.459781
  Br    -12.213147      6.073872      5.343299
  C      -9.889011      4.505495      5.895530
  H      -1.844444     -0.952026      4.995325
  H      -4.568428     -2.288939      1.626869
  H      -4.541203     -4.783899      1.845565
  H      -4.234425     -5.839046      4.080280
  H      -3.961212     -1.932365      5.887779
  H      -5.541114      4.021527      3.997975
  H      -8.819899      7.618545      3.350902
  H     -10.335862      9.096725      4.687343
  H      -9.955660      9.386036      7.130523
  H      -6.506518      6.805799      6.891420
  H      -6.048894      1.590077      5.355938
  H      -8.160466      3.744267      8.736656
  H      -9.950809      5.185928      9.721502
  H     -11.696724      6.175674      8.254354
  H      -9.839988      4.326233      4.822324
  N      -2.270861      2.675113      3.253306
  H      -1.533947      1.982786      3.097556
  H      -1.848662      3.600519      3.138464
  H      -2.934359      2.571405      2.475746
75
Coordinates from ORCA-job orca E -13784.686506020420
  N      -1.840656      1.122681      5.521284
  Mo     -3.427461      2.369680      5.257350
  N      -4.620492      1.885190      6.818692
  C      -4.290321      2.422256      8.142415
  C      -2.780841      2.536952      8.212662
  N      -2.277690      3.233045      6.978277
  C      -0.836937      2.896304      6.733310
  C      -0.686457      1.419437      6.339611
  C      -2.497009      4.716025      7.074083
  C      -2.821239      5.271302      5.700243
  N      -3.751353      4.348811      5.047697
  H       0.252140      1.281414      5.780587
  H      -0.644647      0.760449      7.220900
  H      -0.490137      3.541473      5.914047
  H      -0.241352      3.130388      7.629548
  H      -3.279862      6.267285      5.776474
  H      -1.911938      5.365626      5.082144
  H      -3.355622      4.875155      7.738732
  H      -1.613959      5.194483      7.525154
  H      -4.663176      1.758041      8.937620
  H      -4.797680      3.392364      8.279655
  H      -2.338989      1.532757      8.230823
  H      -2.437344      3.079800      9.106311
  C      -2.343167      0.027656      4.968014
  N      -3.528650      0.331391      4.411949
  C      -4.308737     -0.470793      3.565135
  O      -5.029205      0.073984      2.737175
  C      -4.227085     -1.949137      3.726131
  C      -4.411243     -2.757730      2.593519
  C      -4.371657     -4.141921      2.718478
  C      -4.172582     -4.736281      3.967336
  C      -4.014258     -3.922120      5.089689
  Br     -3.770839     -4.713538      6.803706
  C      -4.034729     -2.535512      4.986519
  C      -4.945216      4.781860      4.562163
  N      -5.435413      5.956562      4.818840
  C      -6.672196      6.253686      4.209877
  O      -6.996303      5.841887      3.097922
  C      -7.554725      7.142447      5.016674
  C      -8.661254      7.747148      4.403945
  C      -9.513176      8.555554      5.147742
  C      -9.293240      8.747029      6.512065
  C      -8.201161      8.119549      7.112461
  Br     -7.905981      8.348964      8.981235
  C      -7.319915      7.332067      6.383919
  C      -5.878777      2.058790      6.341896
  N      -6.795811      2.767557      6.934550
  C      -7.907895      3.071923      6.102015
  O      -8.011001      2.714080      4.932228
  C      -8.926461      3.940780      6.746052
  C      -8.936069      4.186087      8.125047
  C      -9.928639      4.991538      8.676926
  C     -10.907217      5.568317      7.864873
  C     -10.874173      5.329158      6.489498
  Br    -12.210390      6.117024      5.380567
  C      -9.899157      4.524918      5.918095
  H      -1.861378     -0.959465      4.983883
  H      -4.583839     -2.286629      1.626251
  H      -4.502324     -4.774192      1.838900
  H      -4.149590     -5.818883      4.067872
  H      -3.947104     -1.921991      5.884062
  H      -5.510323      4.035059      3.970598
  H      -8.836733      7.571748      3.343985
  H     -10.368775      9.037572      4.673076
  H      -9.961390      9.374508      7.098398
  H      -6.463482      6.856251      6.859355
  H      -6.059932      1.617669      5.335528
  H      -8.166455      3.736928      8.751024
  H      -9.945147      5.182730      9.749332
  H     -11.686504      6.197065      8.293359
  H      -9.858144      4.347779      4.844485
  N      -2.305767      2.666825      3.232452
  H      -1.581700      1.964091      3.058433
  H      -1.872084      3.587397      3.116562
  H      -2.985583      2.578300      2.467133
75
Coordinates from ORCA-job orca E -13784.687567658424
  N      -1.827520      1.128901      5.510121
  Mo     -3.414880      2.379014      5.256750
  N      -4.621262      1.898486      6.807355
  C      -4.290316      2.421222      8.136093
  C      -2.779172      2.535975      8.209935
  N      -2.271619      3.233076      6.978624
  C      -0.829826      2.896538      6.734965
  C      -0.678876      1.420924      6.337041
  C      -2.490446      4.715784      7.077270
  C      -2.798594      5.276069      5.702231
  N      -3.724716      4.359038      5.037364
  H       0.264308      1.282047      5.786157
  H      -0.645225      0.760218      7.217466
  H      -0.482779      3.543791      5.917619
  H      -0.235003      3.127829      7.632356
  H      -3.253162      6.274279      5.777140
  H      -1.883065      5.368245      5.093686
  H      -3.355444      4.873066      7.733825
  H      -1.611721      5.191442      7.539164
  H      -4.658571      1.742814      8.921426
  H      -4.800666      3.386463      8.290010
  H      -2.337896      1.531859      8.229469
  H      -2.438780      3.078058      9.105174
  C      -2.336303      0.035728      4.961202
  N      -3.524758      0.341737      4.408785
  C      -4.307204     -0.461080      3.566189
  O      -5.024231      0.082651      2.733460
  C      -4.231618     -1.939263      3.734916
  C      -4.396692     -2.751147      2.604343
  C      -4.360858     -4.135752      2.737736
  C      -4.186584     -4.727689      3.993487
  C      -4.049233     -3.910539      5.113651
  Br     -3.843058     -4.698819      6.837657
  C      -4.064451     -2.523144      5.001800
  C      -4.913199      4.799782      4.549691
  N      -5.402463      5.971716      4.815271
  C      -6.634015      6.275498      4.201221
  O      -6.948967      5.875126      3.084032
  C      -7.528727      7.146102      5.015773
  C      -8.641468      7.742770      4.405830
  C      -9.507715      8.532130      5.156429
  C      -9.294467      8.714278      6.524911
  C      -8.194993      8.097455      7.122331
  Br     -7.907738      8.316491      8.997843
  C      -7.300240      7.327851      6.386583
  C      -5.877168      2.073517      6.330700
  N      -6.799364      2.770626      6.929524
  C      -7.915783      3.067795      6.099147
  O      -8.011007      2.719412      4.920235
  C      -8.936685      3.934464      6.743840
  C      -8.947453      4.180616      8.122906
  C      -9.944816      4.981929      8.676066
  C     -10.927552      5.553727      7.866157
  C     -10.894344      5.312656      6.490689
  Br    -12.239157      6.089367      5.385291
  C      -9.913272      4.513230      5.917046
  H      -1.858190     -0.954014      4.967752
  H      -4.550149     -2.282211      1.631652
  H      -4.475303     -4.770492      1.859953
  H      -4.167596     -5.810938      4.100804
  H      -3.995090     -1.907680      5.896963
  H      -5.474024      4.060250      3.949282
  H      -8.810842      7.575462      3.342846
  H     -10.368979      9.006074      4.684325
  H      -9.974567      9.326151      7.117314
  H      -6.439116      6.859261      6.860098
  H      -6.053211      1.642732      5.321614
  H      -8.175760      3.734781      8.748331
  H      -9.962451      5.173135      9.748856
  H     -11.710715      6.179215      8.296736
  H      -9.874227      4.332388      4.844333
  N      -2.343987      2.667304      3.199030
  H      -1.632000      1.957396      3.003323
  H      -1.904038      3.584395      3.077321
  H      -3.044538      2.589039      2.452030
75
Coordinates from ORCA-job orca E -13784.688648351748
  N      -1.810932      1.138056      5.493543
  Mo     -3.402326      2.387444      5.260549
  N      -4.619704      1.910733      6.800936
  C      -4.289207      2.415288      8.135050
  C      -2.777590      2.527050      8.210897
  N      -2.265771      3.228704      6.984800
  C      -0.822230      2.897070      6.739987
  C      -0.666303      1.425586      6.328642
  C      -2.487228      4.710996      7.090576
  C      -2.780049      5.280624      5.716453
  N      -3.700849      4.367698      5.038310
  H       0.280511      1.293561      5.782573
  H      -0.636586      0.756804      7.203030
  H      -0.477977      3.551733      5.927382
  H      -0.228383      3.123403      7.639290
  H      -3.234428      6.279066      5.793135
  H      -1.860357      5.374544      5.115930
  H      -3.359147      4.861835      7.738530
  H      -1.615043      5.184613      7.565661
  H      -4.654482      1.723137      8.909593
  H      -4.801946      3.375771      8.303464
  H      -2.336923      1.523105      8.228934
  H      -2.441421      3.066054      9.109565
  C      -2.324909      0.045764      4.948055
  N      -3.519019      0.349322      4.407750
  C      -4.307073     -0.457317      3.574863
  O      -5.040470      0.079385      2.755157
  C      -4.229273     -1.935478      3.746926
  C      -4.422880     -2.755415      2.623284
  C      -4.392363     -4.142050      2.760753
  C      -4.192600     -4.727680      4.013725
  C      -4.024189     -3.901439      5.127356
  Br     -3.782914     -4.680574      6.848162
  C      -4.034707     -2.511975      5.011365
  C      -4.886026      4.814983      4.549457
  N      -5.374065      5.981759      4.827797
  C      -6.597335      6.296397      4.202699
  O      -6.894130      5.919220      3.070385
  C      -7.505062      7.151179      5.021603
  C      -8.618808      7.744067      4.409890
  C      -9.495808      8.520148      5.163215
  C      -9.291088      8.693906      6.535885
  C      -8.189832      8.082488      7.134655
  Br     -7.911568      8.292491      9.015942
  C      -7.285216      7.325480      6.396440
  C      -5.876553      2.085887      6.323564
  N      -6.804939      2.770345      6.926999
  C      -7.920416      3.063643      6.093089
  O      -8.015080      2.704186      4.915969
  C      -8.948162      3.929596      6.732705
  C      -8.969877      4.174245      8.115231
  C      -9.972552      4.973809      8.664318
  C     -10.949499      5.545298      7.847119
  C     -10.906317      5.304941      6.468413
  Br    -12.243803      6.079881      5.352008
  C      -9.919750      4.507972      5.898603
  H      -1.847109     -0.943600      4.943040
  H      -4.598332     -2.292174      1.653123
  H      -4.532116     -4.783625      1.888169
  H      -4.178490     -5.813379      4.124355
  H      -3.942370     -1.889526      5.902253
  H      -5.444890      4.084213      3.940548
  H      -8.779991      7.584772      3.343729
  H     -10.357900      8.990152      4.689735
  H      -9.979432      9.295873      7.130249
  H      -6.422620      6.862214      6.871115
  H      -6.050955      1.668327      5.312618
  H      -8.203007      3.727886      8.746436
  H      -9.999026      5.163328      9.739776
  H     -11.735328      6.169857      8.274113
  H      -9.871870      4.328942      4.822218
  N      -2.405081      2.671131      3.165594
  H      -1.706632      1.956842      2.940379
  H      -1.963084      3.585816      3.036466
  H      -3.132714      2.602219      2.444422
75
Coordinates from ORCA-job orca E -13784.689783743808
  N      -1.803921      1.140819      5.475708
  Mo     -3.398672      2.388764      5.264260
  N      -4.626536      1.917161      6.795596
  C      -4.296499      2.402173      8.135631
  C      -2.784970      2.505827      8.213796
  N      -2.267652      3.214329      6.994645
  C      -0.823075      2.888005      6.748097
  C      -0.662024      1.422537      6.318783
  C      -2.490259      4.696587      7.110949
  C      -2.768113      5.279306      5.739108
  N      -3.684512      4.370532      5.047563
  H       0.287575      1.300254      5.775186
  H      -0.634961      0.742030      7.184288
  H      -0.481508      3.552365      5.942347
  H      -0.230827      3.107177      7.650153
  H      -3.223273      6.277194      5.819700
  H      -1.844642      5.376243      5.145262
  H      -3.369239      4.840171      7.750267
  H      -1.624097      5.166005      7.600757
  H      -4.663026      1.699287      8.899971
  H      -4.808296      3.360924      8.315411
  H      -2.346636      1.500894      8.227679
  H      -2.452622      3.039101      9.117600
  C      -2.322384      0.047850      4.934831
  N      -3.521773      0.347261      4.408177
  C      -4.312760     -0.464278      3.582885
  O      -5.049873      0.065163      2.761099
  C      -4.222831     -1.942484      3.754386
  C      -4.390784     -2.759103      2.627293
  C      -4.339528     -4.143468      2.762789
  C      -4.146382     -4.730931      4.017261
  C      -4.006696     -3.908366      5.134514
  Br     -3.776321     -4.689925      6.857488
  C      -4.036166     -2.520874      5.020330
  C      -4.868890      4.822170      4.555302
  N      -5.359144      5.985442      4.839903
  C      -6.574476      6.307901      4.201146
  O      -6.854101      5.947652      3.057500
  C      -7.492900      7.156017      5.016118
  C      -8.604995      7.744987      4.397223
  C      -9.489845      8.516278      5.146568
  C      -9.294147      8.689509      6.522230
  C      -8.194228      8.082353      7.127862
  Br     -7.926823      8.290754      9.013540
  C      -7.282206      7.330450      6.394023
  C      -5.885631      2.095104      6.316404
  N      -6.814962      2.772223      6.925996
  C      -7.931217      3.068824      6.094719
  O      -8.044125      2.689977      4.928419
  C      -8.951598      3.944540      6.734941
  C      -8.962192      4.196214      8.116514
  C      -9.960337      4.999115      8.670031
  C     -10.943373      5.566448      7.857284
  C     -10.910510      5.319681      6.479120
  Br    -12.255823      6.089546      5.367702
  C      -9.928416      4.520724      5.905454
  H      -1.843304     -0.940691      4.917615
  H      -4.559483     -2.294865      1.655353
  H      -4.456274     -4.781930      1.887121
  H      -4.114712     -5.814703      4.125744
  H      -3.963821     -1.901246      5.912937
  H      -5.425946      4.096857      3.937411
  H      -8.757866      7.587298      3.328748
  H     -10.350456      8.982789      4.667037
  H      -9.988141      9.288644      7.112985
  H      -6.420132      6.872322      6.874409
  H      -6.063848      1.692422      5.301312
  H      -8.191738      3.750843      8.743970
  H      -9.979202      5.193069      9.744988
  H     -11.726583      6.191934      8.287592
  H      -9.888070      4.337014      4.829432
  N      -2.492012      2.669645      3.131696
  H      -1.808642      1.952166      2.872800
  H      -2.051236      3.583119      2.992526
  H      -3.250910      2.607483      2.443058
75
Coordinates from ORCA-job orca E -13784.690935596263
  N      -1.789509      1.151848      5.453606
  Mo     -3.390688      2.393013      5.269286
  N      -4.628511      1.915520      6.786783
  C      -4.304240      2.373802      8.137638
  C      -2.794521      2.469085      8.222843
  N      -2.269614      3.194770      7.017365
  C      -0.823976      2.879089      6.769587
  C      -0.652032      1.425103      6.309159
  C      -2.494958      4.675965      7.155214
  C      -2.757531      5.281353      5.789369
  N      -3.665975      4.376892      5.077936
  H       0.301314      1.321828      5.767341
  H      -0.626364      0.724422      7.158705
  H      -0.484771      3.561163      5.977989
  H      -0.236019      3.084487      7.677282
  H      -3.217486      6.275864      5.880244
  H      -1.829030      5.388406      5.203584
  H      -3.383343      4.807143      7.784684
  H      -1.635942      5.138013      7.665791
  H      -4.676353      1.658497      8.888210
  H      -4.814757      3.332067      8.329561
  H      -2.357562      1.462872      8.225018
  H      -2.468828      2.989315      9.137184
  C      -2.307334      0.058002      4.913007
  N      -3.512514      0.350068      4.403873
  C      -4.306493     -0.464890      3.585378
  O      -5.060353      0.059523      2.774054
  C      -4.207238     -1.944741      3.755556
  C      -4.390678     -2.763683      2.630913
  C      -4.333827     -4.149087      2.765362
  C      -4.118396     -4.735049      4.016036
  C      -3.962146     -3.909286      5.131092
  Br     -3.700396     -4.688328      6.848885
  C      -3.996865     -2.520927      5.017918
  C      -4.852090      4.827214      4.579171
  N      -5.351128      5.988494      4.861607
  C      -6.560144      6.311138      4.208718
  O      -6.830485      5.946171      3.066664
  C      -7.487001      7.162631      5.009456
  C      -8.602417      7.736145      4.381457
  C      -9.492590      8.512106      5.118779
  C      -9.299110      8.705052      6.491398
  C      -8.195649      8.112777      7.105684
  Br     -7.930074      8.345486      8.986853
  C      -7.278348      7.357294      6.384507
  C      -5.891799      2.093702      6.304016
  N      -6.826938      2.757113      6.921657
  C      -7.946373      3.050516      6.096665
  O      -8.071970      2.662415      4.934347
  C      -8.951047      3.947511      6.731920
  C      -8.938389      4.221943      8.106064
  C      -9.924470      5.037294      8.659486
  C     -10.919472      5.591889      7.852650
  C     -10.909650      5.321996      6.482224
  Br    -12.272702      6.073249      5.379187
  C      -9.938307      4.513899      5.909196
  H      -1.824853     -0.928327      4.877568
  H      -4.577738     -2.301361      1.661884
  H      -4.463412     -4.789541      1.891228
  H      -4.081533     -5.819516      4.123131
  H      -3.909404     -1.897974      5.908815
  H      -5.405157      4.102680      3.950039
  H      -8.752950      7.563530      3.315264
  H     -10.355776      8.966038      4.631256
  H      -9.997055      9.308202      7.072455
  H      -6.412964      6.912774      6.872557
  H      -6.068846      1.707678      5.277765
  H      -8.159707      3.783676      8.728084
  H      -9.925107      5.249432      9.728273
  H     -11.695658      6.224055      8.282680
  H      -9.916448      4.311400      4.840464
  N      -2.594421      2.679349      3.100822
  H      -1.925213      1.963730      2.804067
  H      -2.163798      3.595077      2.950351
  H      -3.388468      2.617553      2.453686
75
Coordinates from ORCA-job orca E -13784.691984031741
  N      -1.781703      1.161511      5.431089
  Mo     -3.387581      2.397480      5.266171
  N      -4.640286      1.925619      6.772563
  C      -4.319305      2.362221      8.131842
  C      -2.807672      2.443933      8.224107
  N      -2.274967      3.179629      7.029029
  C      -0.828941      2.869174      6.781961
  C      -0.650635      1.424615      6.299494
  C      -2.497357      4.659725      7.183530
  C      -2.744452      5.282268      5.823438
  N      -3.646108      4.385801      5.093427
  H       0.306453      1.333292      5.762367
  H      -0.630365      0.709588      7.137153
  H      -0.488182      3.563832      6.001917
  H      -0.244733      3.062299      7.694913
  H      -3.205165      6.275536      5.921924
  H      -1.810660      5.394624      5.247657
  H      -3.392587      4.786519      7.803935
  H      -1.642718      5.111148      7.709942
  H      -4.700094      1.639292      8.870601
  H      -4.823367      3.321899      8.335150
  H      -2.376800      1.434685      8.216211
  H      -2.482199      2.951918      9.145774
  C      -2.300105      0.063387      4.897169
  N      -3.512407      0.347592      4.402841
  C      -4.308598     -0.472717      3.594332
  O      -5.073834      0.045222      2.787983
  C      -4.193477     -1.951281      3.763275
  C      -4.372244     -2.770123      2.638740
  C      -4.299385     -4.154372      2.772192
  C      -4.073310     -4.739220      4.021781
  C      -3.922145     -3.913631      5.136828
  Br     -3.646799     -4.692065      6.853484
  C      -3.971688     -2.526329      5.024432
  C      -4.828239      4.840456      4.591644
  N      -5.329522      6.000654      4.875918
  C      -6.533049      6.324503      4.214638
  O      -6.790165      5.964614      3.068210
  C      -7.468010      7.172026      5.009804
  C      -8.590660      7.728608      4.380308
  C      -9.487205      8.501901      5.112386
  C      -9.292512      8.709858      6.481023
  C      -8.181525      8.134284      7.096863
  Br     -7.912436      8.388702      8.971715
  C      -7.258784      7.380260      6.381622
  C      -5.900993      2.103244      6.285578
  N      -6.839964      2.755114      6.908720
  C      -7.965004      3.042382      6.091705
  O      -8.108019      2.634153      4.940613
  C      -8.961263      3.948606      6.727960
  C      -8.937500      4.232202      8.100716
  C      -9.915000      5.055860      8.655500
  C     -10.912753      5.609209      7.850961
  C     -10.913626      5.330575      6.482007
  Br    -12.277579      6.083844      5.380867
  C      -9.951712      4.513676      5.908267
  H      -1.813023     -0.920853      4.851644
  H      -4.567865     -2.308992      1.670526
  H      -4.424731     -4.794756      1.897989
  H      -4.024351     -5.822872      4.127945
  H      -3.886529     -1.903188      5.914757
  H      -5.379170      4.121104      3.955271
  H      -8.741941      7.544846      3.316839
  H     -10.356584      8.941906      4.623057
  H      -9.994916      9.311292      7.057591
  H      -6.387474      6.949397      6.871303
  H      -6.075288      1.727160      5.256701
  H      -8.156381      3.794335      8.720151
  H      -9.906163      5.275749      9.722803
  H     -11.681745      6.248612      8.280951
  H      -9.937833      4.304996      4.839282
  N      -2.700391      2.680640      3.067492
  H      -2.045117      1.966490      2.738110
  H      -2.281164      3.598771      2.900083
  H      -3.525994      2.614164      2.461777
75
Coordinates from ORCA-job orca E -13784.693096878345
  N      -1.773186      1.176417      5.405774
  Mo     -3.385145      2.404601      5.262612
  N      -4.650180      1.933576      6.757282
  C      -4.334035      2.341057      8.127837
  C      -2.821906      2.408749      8.226785
  N      -2.281932      3.161692      7.044793
  C      -0.834977      2.857437      6.799329
  C      -0.649548      1.425068      6.289207
  C      -2.500258      4.639994      7.221936
  C      -2.732387      5.284868      5.870527
  N      -3.624718      4.399622      5.117633
  H       0.311292      1.348416      5.757023
  H      -0.635283      0.692506      7.111332
  H      -0.490462      3.568387      6.035433
  H      -0.255643      3.033471      7.719148
  H      -3.194880      6.275891      5.980302
  H      -1.792691      5.405906      5.307093
  H      -3.401360      4.762075      7.834752
  H      -1.648650      5.076640      7.764859
  H      -4.728030      1.610283      8.851401
  H      -4.827947      3.302887      8.346220
  H      -2.398587      1.396247      8.199812
  H      -2.492376      2.897162      9.157545
  C      -2.289817      0.071509      4.877348
  N      -3.510212      0.345878      4.402056
  C      -4.311002     -0.478254      3.603264
  O      -5.092700      0.036482      2.809580
  C      -4.179709     -1.955629      3.767214
  C      -4.366491     -2.773140      2.642878
  C      -4.277494     -4.156289      2.771856
  C      -4.028330     -4.741102      4.016867
  C      -3.869881     -3.917395      5.132019
  Br     -3.562023     -4.697083      6.842512
  C      -3.934891     -2.531336      5.023828
  C      -4.801340      4.856312      4.609327
  N      -5.309353      6.014950      4.891503
  C      -6.506470      6.331641      4.215429
  O      -6.744879      5.967552      3.066404
  C      -7.455783      7.175767      4.997075
  C      -8.578648      7.715932      4.354465
  C      -9.486871      8.488930      5.072026
  C      -9.304463      8.712339      6.439042
  C      -8.193630      8.151064      7.068794
  Br     -7.943402      8.424402      8.942305
  C      -7.259202      7.397206      6.368195
  C      -5.908770      2.113908      6.267912
  N      -6.850530      2.751379      6.901070
  C      -7.981663      3.039360      6.092978
  O      -8.140741      2.620965      4.947815
  C      -8.963144      3.956840      6.735699
  C      -8.924236      4.246691      8.107462
  C      -9.890356      5.079765      8.668398
  C     -10.891647      5.636893      7.870577
  C     -10.905774      5.354282      6.501952
  Br    -12.271422      6.117555      5.409754
  C      -9.955734      4.526939      5.922219
  H      -1.792606     -0.907280      4.826468
  H      -4.579906     -2.311990      1.678360
  H      -4.408090     -4.795550      1.897733
  H      -3.966835     -5.823515      4.119428
  H      -3.842002     -1.909363      5.914034
  H      -5.345741      4.139884      3.964126
  H      -8.720619      7.520400      3.291826
  H     -10.356606      8.916617      4.571883
  H     -10.015704      9.313642      7.003931
  H      -6.388054      6.977722      6.868536
  H      -6.077541      1.749543      5.233394
  H      -8.140938      3.805029      8.721631
  H      -9.869648      5.303863      9.735430
  H     -11.653317      6.283304      8.305359
  H      -9.954040      4.313654      4.853462
  N      -2.807920      2.675953      3.041287
  H      -2.165199      1.963274      2.684405
  H      -2.404341      3.596728      2.850226
  H      -3.662994      2.597427      2.478574
75
Coordinates from ORCA-job orca E -13784.694209442963
  N      -1.759672      1.198933      5.378636
  Mo     -3.381963      2.414609      5.253888
  N      -4.657664      1.941842      6.736848
  C      -4.347037      2.322010      8.116308
  C      -2.834334      2.378555      8.222765
  N      -2.289389      3.149240      7.053979
  C      -0.839593      2.854722      6.811601
  C      -0.643837      1.434816      6.275586
  C      -2.507177      4.624341      7.254373
  C      -2.723738      5.290763      5.911160
  N      -3.603591      4.417456      5.133908
  H       0.321076      1.372864      5.749290
  H      -0.633911      0.687097      7.083505
  H      -0.492300      3.582439      6.064601
  H      -0.265819      3.014773      7.738114
  H      -3.188333      6.279697      6.031562
  H      -1.776538      5.421384      5.363437
  H      -3.413832      4.740438      7.860618
  H      -1.659021      5.047172      7.813058
  H      -4.753625      1.582996      8.823623
  H      -4.831739      3.283876      8.351042
  H      -2.417299      1.364249      8.176227
  H      -2.499856      2.847599      9.160899
  C      -2.271188      0.084547      4.858350
  N      -3.501289      0.345577      4.403616
  C      -4.308591     -0.482264      3.616425
  O      -5.106839      0.031492      2.838324
  C      -4.166742     -1.958252      3.777627
  C      -4.371278     -2.777641      2.657329
  C      -4.274468     -4.160963      2.785500
  C      -4.000228     -4.743666      4.026205
  C      -3.823606     -3.918641      5.137572
  Br     -3.479469     -4.696413      6.842227
  C      -3.896281     -2.532509      5.029706
  C      -4.773165      4.876557      4.620126
  N      -5.286929      6.032425      4.905022
  C      -6.481412      6.344450      4.222867
  O      -6.711121      5.977330      3.072844
  C      -7.435333      7.186095      4.998414
  C      -8.558105      7.717375      4.349383
  C      -9.471307      8.489754      5.059625
  C      -9.294352      8.721150      6.425608
  C      -8.182808      8.168791      7.061803
  Br     -7.941558      8.454412      8.933378
  C      -7.243488      7.414898      6.368139
  C      -5.912981      2.122301      6.247455
  N      -6.859803      2.741945      6.889606
  C      -7.999113      3.022555      6.088479
  O      -8.167156      2.590987      4.948935
  C      -8.971521      3.948125      6.731850
  C      -8.925623      4.248771      8.101679
  C      -9.885065      5.091375      8.660335
  C     -10.886487      5.648731      7.862780
  C     -10.907880      5.355723      6.496429
  Br    -12.273591      6.120459      5.406383
  C      -9.964906      4.516765      5.918371
  H      -1.758371     -0.885256      4.805889
  H      -4.604586     -2.318032      1.696782
  H      -4.418964     -4.801760      1.914717
  H      -3.933458     -5.826184      4.128577
  H      -3.788928     -1.909773      5.917495
  H      -5.309511      4.163570      3.965541
  H      -8.696309      7.515457      3.287592
  H     -10.341677      8.910447      4.555295
  H     -10.010579      9.320655      6.985606
  H      -6.372516      7.001320      6.872749
  H      -6.070232      1.766732      5.208048
  H      -8.142364      3.807626      8.716278
  H      -9.857963      5.324057      9.725970
  H     -11.641756      6.304366      8.295363
  H      -9.970137      4.294608      4.850854
  N      -2.917190      2.669471      3.013623
  H      -2.283980      1.960393      2.633246
  H      -2.535733      3.593153      2.792740
  H      -3.798470      2.571643      2.494762
75
Coordinates from ORCA-job orca E -13784.695257815833
  N      -1.746040      1.220837      5.353973
  Mo     -3.379246      2.424113      5.248753
  N      -4.662639      1.945779      6.721208
  C      -4.354637      2.297544      8.107844
  C      -2.842240      2.342771      8.219092
  N      -2.294657      3.133189      7.064834
  C      -0.841567      2.850838      6.824968
  C      -0.635368      1.444204      6.261300
  C      -2.514213      4.604571      7.289573
  C      -2.714653      5.295207      5.955315
  N      -3.582179      4.434449      5.153486
  H       0.332774      1.397765      5.739334
  H      -0.627041      0.680842      7.054224
  H      -0.493975      3.595981      6.095614
  H      -0.273392      2.994851      7.757447
  H      -3.181535      6.281653      6.087362
  H      -1.760238      5.436403      5.423399
  H      -3.425994      4.712034      7.889489
  H      -1.670405      5.015192      7.863775
  H      -4.771626      1.549025      8.798556
  H      -4.831568      3.258600      8.359711
  H      -2.430869      1.327325      8.151704
  H      -2.503886      2.791771      9.165278
  C      -2.252412      0.097475      4.842494
  N      -3.492496      0.344707      4.410228
  C      -4.308488     -0.485266      3.634717
  O      -5.122279      0.028817      2.872503
  C      -4.157225     -1.960635      3.787907
  C      -4.384677     -2.779182      2.670781
  C      -4.278447     -4.162519      2.793239
  C      -3.971694     -4.746030      4.025758
  C      -3.771526     -3.922146      5.134461
  Br     -3.380826     -4.701189      6.828166
  C      -3.853720     -2.535967      5.031692
  C      -4.744967      4.898218      4.631916
  N      -5.265086      6.050509      4.919257
  C      -6.454305      6.359144      4.225524
  O      -6.674540      5.986309      3.074793
  C      -7.419281      7.197186      4.992044
  C      -8.540176      7.718939      4.331173
  C      -9.465162      8.488018      5.031446
  C      -9.301365      8.726220      6.398694
  C      -8.192321      8.182777      7.047345
  Br     -7.972907      8.475954      8.921868
  C      -7.241377      7.432100      6.363426
  C      -5.916724      2.128691      6.233692
  N      -6.867663      2.731706      6.885305
  C      -8.013706      3.007472      6.090551
  O      -8.192732      2.563139      4.957157
  C      -8.975198      3.944432      6.732762
  C      -8.919260      4.256361      8.099567
  C      -9.869274      5.110641      8.656341
  C     -10.870481      5.670158      7.860097
  C     -10.901084      5.367123      6.495967
  Br    -12.264823      6.136731      5.407472
  C      -9.968698      4.514192      5.919990
  H      -1.723072     -0.863110      4.787223
  H      -4.642970     -2.318864      1.717183
  H      -4.441032     -4.802633      1.924816
  H      -3.897699     -5.828682      4.124121
  H      -3.727242     -1.914442      5.918128
  H      -5.274102      4.190690      3.966474
  H      -8.667626      7.512323      3.268605
  H     -10.333847      8.901594      4.518541
  H     -10.026159      9.324152      6.950806
  H      -6.372512      7.025190      6.876924
  H      -6.066228      1.784400      5.189589
  H      -8.136714      3.813816      8.713914
  H      -9.834567      5.351415      9.719973
  H     -11.618704      6.334714      8.292023
  H      -9.982745      4.282813      4.854844
  N      -3.027161      2.660746      2.994842
  H      -2.401749      1.956206      2.593699
  H      -2.671302      3.586953      2.743180
  H      -3.930051      2.540298      2.519091
75
Coordinates from ORCA-job orca E -13784.696324441720
  N      -1.730488      1.246103      5.326712
  Mo     -3.377635      2.433871      5.238900
  N      -4.668068      1.945685      6.699696
  C      -4.362816      2.268995      8.092716
  C      -2.851293      2.306398      8.209024
  N      -2.302085      3.117508      7.070515
  C      -0.844528      2.851625      6.835081
  C      -0.624615      1.459343      6.243479
  C      -2.527548      4.584590      7.318515
  C      -2.710959      5.299455      5.993578
  N      -3.564107      4.450307      5.165848
  H       0.346926      1.429916      5.726342
  H      -0.615691      0.680727      7.021329
  H      -0.498921      3.614970      6.124129
  H      -0.283685      2.981058      7.773776
  H      -3.182092      6.282276      6.137439
  H      -1.749124      5.453487      5.479076
  H      -3.445298      4.681052      7.910750
  H      -1.690066      4.986056      7.908559
  H      -4.786888      1.508434      8.765801
  H      -4.836119      3.226689      8.362687
  H      -2.443282      1.291116      8.121866
  H      -2.512553      2.736105      9.163812
  C      -2.228713      0.113028      4.825806
  N      -3.478871      0.342786      4.416829
  C      -4.302756     -0.490426      3.654122
  O      -5.132882      0.021611      2.908408
  C      -4.144484     -1.964892      3.803354
  C      -4.395167     -2.785437      2.692971
  C      -4.280875     -4.168470      2.814027
  C      -3.942548     -4.750028      4.039341
  C      -3.718878     -3.924375      5.141968
  Br     -3.284595     -4.700409      6.826479
  C      -3.809119     -2.538206      5.039856
  C      -4.721992      4.920004      4.639856
  N      -5.247173      6.067745      4.934663
  C      -6.434629      6.376680      4.237396
  O      -6.653636      6.003064      3.085130
  C      -7.400696      7.215941      4.999709
  C      -8.520785      7.734692      4.334185
  C      -9.447426      8.505077      5.029777
  C      -9.285794      8.747567      6.397064
  C      -8.177423      8.208235      7.050164
  Br     -7.962102      8.508342      8.924283
  C      -7.225278      7.456188      6.370694
  C      -5.921798      2.130488      6.213928
  N      -6.878534      2.715533      6.873613
  C      -8.029909      2.983827      6.082883
  O      -8.218939      2.522618      4.957408
  C      -8.984372      3.931745      6.719779
  C      -8.920170      4.258576      8.082582
  C      -9.863023      5.124342      8.634292
  C     -10.864472      5.681956      7.837289
  C     -10.904384      5.363064      6.477205
  Br    -12.269392      6.128097      5.387770
  C      -9.979723      4.497364      5.906266
  H      -1.680595     -0.836529      4.767304
  H      -4.677428     -2.326648      1.745528
  H      -4.461682     -4.810034      1.950519
  H      -3.862229     -5.832684      4.137082
  H      -3.664080     -1.915802      5.922521
  H      -5.246394      4.219871      3.963328
  H      -8.645798      7.524869      3.272046
  H     -10.315415      8.916481      4.514327
  H     -10.012275      9.346013      6.946173
  H      -6.357043      7.051811      6.886949
  H      -6.064130      1.799217      5.163866
  H      -8.137687      3.818158      8.698278
  H      -9.822120      5.376347      9.694906
  H     -11.605791      6.356515      8.265600
  H     -10.001686      4.253198      4.844549
  N      -3.141291      2.650465      2.975839
  H      -2.520948      1.952078      2.556437
  H      -2.815921      3.578828      2.692009
  H      -4.061612      2.502359      2.542559
75
Coordinates from ORCA-job orca E -13784.697429262915
  N      -1.714948      1.271098      5.304002
  Mo     -3.377786      2.442439      5.231496
  N      -4.673675      1.941948      6.681279
  C      -4.369266      2.239708      8.079107
  C      -2.858365      2.272677      8.199384
  N      -2.309029      3.102670      7.076100
  C      -0.846638      2.855239      6.845478
  C      -0.612138      1.477156      6.227395
  C      -2.543899      4.565369      7.343393
  C      -2.710611      5.301893      6.026915
  N      -3.549242      4.463036      5.174114
  H       0.361872      1.464441      5.714011
  H      -0.599747      0.684782      6.991239
  H      -0.505300      3.635701      6.151695
  H      -0.293408      2.972428      7.789863
  H      -3.186857      6.280760      6.181262
  H      -1.742012      5.468967      5.529830
  H      -3.468302      4.649914      7.926383
  H      -1.714509      4.961938      7.948253
  H      -4.795892      1.465918      8.735621
  H      -4.843105      3.191916      8.366333
  H      -2.451751      1.258468      8.095613
  H      -2.522512      2.685458      9.162770
  C      -2.204080      0.128124      4.816047
  N      -3.463659      0.338734      4.430756
  C      -4.295869     -0.496824      3.681169
  O      -5.140647      0.013762      2.950346
  C      -4.131045     -1.970637      3.821508
  C      -4.409048     -2.789729      2.716697
  C      -4.287205     -4.172706      2.831299
  C      -3.913003     -4.756328      4.045486
  C      -3.661649     -3.932125      5.143399
  Br     -3.179112     -4.710224      6.813992
  C      -3.759725     -2.545663      5.047046
  C      -4.703040      4.941583      4.644726
  N      -5.230807      6.085636      4.947732
  C      -6.416207      6.397878      4.248325
  O      -6.638877      6.021942      3.096662
  C      -7.382543      7.239401      5.007770
  C      -8.503720      7.755124      4.340158
  C      -9.432800      8.524903      5.033711
  C      -9.271640      8.770475      6.401349
  C      -8.162340      8.235761      7.056442
  Br     -7.949022      8.539359      8.931557
  C      -7.208131      7.484626      6.378630
  C      -5.928270      2.127481      6.198405
  N      -6.890772      2.695393      6.864688
  C      -8.046580      2.954248      6.078169
  O      -8.246894      2.473448      4.963066
  C      -8.993519      3.916575      6.704885
  C      -8.920286      4.260932      8.062268
  C      -9.853433      5.141841      8.605712
  C     -10.852832      5.698580      7.805828
  C     -10.902484      5.361025      6.450800
  Br    -12.263773      6.123691      5.355266
  C      -9.988868      4.478783      5.888793
  H      -1.637961     -0.810876      4.752873
  H      -4.718505     -2.329373      1.778465
  H      -4.489866     -4.813031      1.971572
  H      -3.826268     -5.839262      4.138643
  H      -3.592839     -1.925014      5.927201
  H      -5.225622      4.251350      3.957206
  H      -8.627450      7.542802      3.278313
  H     -10.301540      8.933720      4.517538
  H      -9.999862      9.368717      6.949235
  H      -6.339212      7.082988      6.896001
  H      -6.066525      1.810129      5.143914
  H      -8.139393      3.821888      8.680849
  H      -9.806480      5.406944      9.662316
  H     -11.585252      6.385632      8.228363
  H     -10.019174      4.219476      4.831522
  N      -3.256662      2.636159      2.963407
  H      -2.638159      1.944697      2.529352
  H      -2.966045      3.565746      2.646414
  H      -4.189783      2.454924      2.571137
75
Coordinates from ORCA-job orca E -13784.698519033616
  N      -1.700777      1.296277      5.281641
  Mo     -3.380767      2.449770      5.223085
  N      -4.681237      1.933041      6.661255
  C      -4.378197      2.206014      8.064543
  C      -2.867565      2.238986      8.188558
  N      -2.318678      3.087796      7.081006
  C      -0.851851      2.860911      6.855505
  C      -0.600732      1.498270      6.211053
  C      -2.566721      4.545467      7.365247
  C      -2.717077      5.301163      6.057245
  N      -3.540792      4.471576      5.178886
  H       0.374929      1.504278      5.700637
  H      -0.582275      0.692167      6.960337
  H      -0.516479      3.658366      6.178645
  H      -0.306796      2.966960      7.805585
  H      -3.200477      6.274911      6.221086
  H      -1.742529      5.482190      5.577089
  H      -3.499534      4.616572      7.936213
  H      -1.747851      4.940198      7.985958
  H      -4.803061      1.417358      8.704782
  H      -4.856775      3.150732      8.368782
  H      -2.459332      1.226906      8.069634
  H      -2.538035      2.635757      9.161296
  C      -2.179870      0.143221      4.807276
  N      -3.447857      0.332756      4.445311
  C      -4.286577     -0.506270      3.709015
  O      -5.147870      0.000444      2.993886
  C      -4.113773     -1.979315      3.841649
  C      -4.418230     -2.796844      2.743181
  C      -4.286790     -4.179014      2.850973
  C      -3.875791     -4.764260      4.052653
  C      -3.598260     -3.941619      5.145175
  Br     -3.067175     -4.721260      6.800354
  C      -3.705820     -2.555596      5.055042
  C      -4.691834      4.961269      4.648120
  N      -5.219369      6.102321      4.961968
  C      -6.401944      6.421706      4.261252
  O      -6.627997      6.047422      3.108921
  C      -7.365458      7.268468      5.018905
  C      -8.487388      7.784409      4.351818
  C      -9.414631      8.556505      5.044859
  C      -9.249972      8.805180      6.411880
  C      -8.139751      8.271887      7.066233
  Br     -7.920503      8.579237      8.940477
  C      -7.187933      7.518455      6.388965
  C      -5.937435      2.118318      6.180042
  N      -6.905712      2.669141      6.852542
  C      -8.064228      2.919690      6.070166
  O      -8.277259      2.418305      4.966866
  C      -9.002619      3.898335      6.686132
  C      -8.918651      4.260823      8.037978
  C      -9.840218      5.158637      8.573498
  C     -10.837506      5.714851      7.770834
  C     -10.898350      5.357773      6.421209
  Br    -12.255401      6.118987      5.319167
  C      -9.997326      4.458280      5.867835
  H      -1.597689     -0.785793      4.737271
  H      -4.755412     -2.335291      1.815042
  H      -4.510195     -4.817870      1.995505
  H      -3.780852     -5.846776      4.140668
  H      -3.517859     -1.936670      5.931958
  H      -5.215029      4.284100      3.948010
  H      -8.613063      7.569541      3.290666
  H     -10.283970      8.965128      4.529275
  H      -9.976355      9.405697      6.959263
  H      -6.317925      7.117766      6.905629
  H      -6.075159      1.816744      5.120702
  H      -8.139161      3.822568      8.658853
  H      -9.785899      5.437626      9.625783
  H     -11.559857      6.415723      8.187465
  H     -10.036737      4.183616      4.814796
  N      -3.374253      2.618427      2.955285
  H      -2.754461      1.936171      2.508527
  H      -3.123720      3.548686      2.607339
  H      -4.315898      2.399307      2.604261
75
Coordinates from ORCA-job orca E -13784.699512735666
  N      -1.687879      1.320580      5.259516
  Mo     -3.384336      2.456280      5.214524
  N      -4.691051      1.924582      6.639321
  C      -4.391130      2.171602      8.049165
  C      -2.879848      2.205908      8.178406
  N      -2.330754      3.072985      7.086841
  C      -0.860701      2.865728      6.866318
  C      -0.592149      1.519661      6.196415
  C      -2.592839      4.524804      7.386830
  C      -2.726262      5.297514      6.087079
  N      -3.534516      4.477814      5.182988
  H       0.384724      1.546131      5.689178
  H      -0.566786      0.699862      6.930362
  H      -0.530523      3.679560      6.206612
  H      -0.323166      2.959903      7.821853
  H      -3.217249      6.266037      6.258757
  H      -1.746131      5.491176      5.623745
  H      -3.535540      4.583074      7.943042
  H      -1.786151      4.916991      8.025308
  H      -4.814033      1.368238      8.672277
  H      -4.874558      3.108029      8.370986
  H      -2.468938      1.196532      8.044827
  H      -2.556757      2.586592      9.159967
  C      -2.158186      0.157429      4.798056
  N      -3.433591      0.327043      4.457607
  C      -4.276777     -0.515924      3.733322
  O      -5.153229     -0.012828      3.032234
  C      -4.093970     -1.987858      3.859070
  C      -4.425018     -2.804432      2.767669
  C      -4.284291     -4.185822      2.868824
  C      -3.836740     -4.771605      4.057043
  C      -3.532521     -3.949974      5.143124
  Br     -2.952706     -4.730505      6.781347
  C      -3.649138     -2.564649      5.059206
  C      -4.682710      4.978090      4.652849
  N      -5.209484      6.116593      4.977772
  C      -6.388121      6.442616      4.273416
  O      -6.612539      6.069884      3.120544
  C      -7.350754      7.293843      5.027511
  C      -8.472272      7.808550      4.358881
  C      -9.399578      8.582916      5.049108
  C      -9.234982      8.836094      6.415161
  C      -8.124871      8.304574      7.071148
  Br     -7.905110      8.616220      8.944663
  C      -7.173041      7.548764      6.396691
  C      -5.947780      2.109893      6.159521
  N      -6.920460      2.643535      6.839271
  C      -8.082437      2.889174      6.063094
  O      -8.309887      2.369951      4.971446
  C      -9.008158      3.884835      6.671915
  C      -8.910891      4.263452      8.018548
  C      -9.817929      5.179217      8.548178
  C     -10.813194      5.737583      7.744387
  C     -10.887319      5.363652      6.400136
  Br    -12.240137      6.128628      5.295195
  C     -10.001678      4.445760      5.853167
  H      -1.563301     -0.763147      4.720999
  H      -4.790252     -2.342468      1.850435
  H      -4.528835     -4.823864      2.018562
  H      -3.734280     -5.853604      4.140002
  H      -3.439870     -1.946914      5.932003
  H      -5.205805      4.314053      3.941050
  H      -8.597974      7.590017      3.298423
  H     -10.268858      8.990092      4.531900
  H      -9.961169      9.439005      6.960027
  H      -6.302923      7.149600      6.914621
  H      -6.084833      1.825770      5.095113
  H      -8.132899      3.823535      8.640293
  H      -9.753918      5.470672      9.596592
  H     -11.523938      6.452719      8.156397
  H     -10.052496      4.157334      4.804350
  N      -3.483614      2.599456      2.951768
  H      -2.859506      1.929053      2.493462
  H      -3.275672      3.530367      2.577854
  H      -4.429380      2.340647      2.640278
75
Coordinates from ORCA-job orca E -13784.700412585134
  N      -1.676870      1.342840      5.236756
  Mo     -3.390044      2.460381      5.205658
  N      -4.704245      1.913136      6.614632
  C      -4.408501      2.132065      8.031679
  C      -2.896084      2.170397      8.167454
  N      -2.346749      3.056450      7.093041
  C      -0.874296      2.869200      6.877524
  C      -0.586406      1.541101      6.182073
  C      -2.626046      4.501393      7.406902
  C      -2.742182      5.289221      6.115279
  N      -3.534830      4.479554      5.185371
  H       0.390872      1.591387      5.677683
  H      -0.551420      0.707147      6.899251
  H      -0.549282      3.699329      6.235789
  H      -0.343706      2.950700      7.838163
  H      -3.241524      6.252159      6.292972
  H      -1.757278      5.494873      5.667979
  H      -3.580142      4.545554      7.944793
  H      -1.834744      4.892078      8.065545
  H      -4.827691      1.312754      8.636102
  H      -4.898289      3.058539      8.372302
  H      -2.480196      1.164812      8.019239
  H      -2.580678      2.534720      9.157986
  C      -2.138944      0.170432      4.786469
  N      -3.420178      0.319917      4.466455
  C      -4.265356     -0.529828      3.753966
  O      -5.159108     -0.034169      3.068772
  C      -4.069032     -1.999976      3.875337
  C      -4.426444     -2.817348      2.792745
  C      -4.274813     -4.197449      2.888351
  C      -3.790012     -4.781381      4.062453
  C      -3.459556     -3.959248      5.140333
  Br     -2.829588     -4.738169      6.760365
  C      -3.586435     -2.575197      5.061513
  C      -4.680709      4.991507      4.656894
  N      -5.205352      6.127616      4.994970
  C      -6.377446      6.464655      4.283342
  O      -6.594259      6.098840      3.127065
  C      -7.339931      7.319610      5.034182
  C      -8.458291      7.836267      4.362679
  C      -9.385024      8.614192      5.049525
  C      -9.222748      8.870238      6.414870
  C      -8.115333      8.336550      7.073718
  Br     -7.897350      8.650825      8.946414
  C      -7.164258      7.576330      6.403229
  C      -5.961214      2.100113      6.136179
  N      -6.936546      2.616740      6.825000
  C      -8.102113      2.862509      6.056557
  O      -8.344642      2.329349      4.975053
  C      -9.011362      3.876207      6.661744
  C      -8.897971      4.269370      8.003399
  C      -9.787853      5.203998      8.529654
  C     -10.781598      5.766726      7.726761
  C     -10.871217      5.378220      6.387600
  Br    -12.220148      6.151377      5.283165
  C     -10.003388      4.441097      5.844444
  H      -1.534195     -0.743057      4.701995
  H      -4.820514     -2.356783      1.886931
  H      -4.540046     -4.835938      2.044795
  H      -3.679224     -5.862390      4.141179
  H      -3.356499     -1.957474      5.928894
  H      -5.202921      4.342482      3.931486
  H      -8.582627      7.615789      3.302395
  H     -10.252109      9.022389      4.529220
  H      -9.948003      9.477004      6.956309
  H      -6.295955      7.176381      6.923591
  H      -6.099302      1.836151      5.066948
  H      -8.121190      3.825860      8.624150
  H      -9.711315      5.507065      9.574084
  H     -11.479162      6.496709      8.135697
  H     -10.067675      4.140515      4.799435
  N      -3.582375      2.583675      2.950768
  H      -2.948690      1.929697      2.481690
  H      -3.418487      3.515908      2.558175
  H      -4.526762      2.282911      2.673435
75
Coordinates from ORCA-job orca E -13784.701162974832
  N      -1.668533      1.364608      5.208634
  Mo     -3.395000      2.465519      5.195068
  N      -4.716774      1.909332      6.590175
  C      -4.424728      2.096597      8.012930
  C      -2.911714      2.133456      8.153711
  N      -2.361611      3.038803      7.096655
  C      -0.888176      2.867569      6.884424
  C      -0.583597      1.558693      6.162898
  C      -2.652256      4.476749      7.428290
  C      -2.752091      5.282502      6.146801
  N      -3.532018      4.485644      5.194805
  H       0.393613      1.633668      5.661580
  H      -0.539728      0.709771      6.861461
  H      -0.566011      3.713880      6.262650
  H      -0.361599      2.932652      7.848817
  H      -3.255814      6.241879      6.331239
  H      -1.762653      5.495473      5.713913
  H      -3.615479      4.509847      7.950394
  H      -1.873808      4.858980      8.106645
  H      -4.845981      1.264537      8.597531
  H      -4.914222      3.015219      8.373641
  H      -2.493772      1.131497      7.987512
  H      -2.597839      2.479542      9.151002
  C      -2.125247      0.183570      4.767509
  N      -3.413125      0.315919      4.467455
  C      -4.259186     -0.543745      3.767673
  O      -5.168263     -0.057283      3.095695
  C      -4.045580     -2.011465      3.887622
  C      -4.422376     -2.833232      2.814622
  C      -4.258505     -4.212136      2.908563
  C      -3.742116     -4.790117      4.071848
  C      -3.391570     -3.964082      5.140290
  Br     -2.717085     -4.736359      6.745387
  C      -3.530251     -2.581312      5.062544
  C      -4.674080      5.005124      4.666859
  N      -5.199441      6.138070      5.014672
  C      -6.364873      6.484025      4.294056
  O      -6.570656      6.124932      3.134397
  C      -7.328907      7.339590      5.040577
  C      -8.442500      7.857134      4.362864
  C      -9.370786      8.637900      5.044208
  C      -9.215309      8.896010      6.409608
  C      -8.112287      8.360525      7.074574
  Br     -7.905499      8.676495      8.947727
  C      -7.159377      7.596831      6.409912
  C      -5.973443      2.100154      6.113555
  N      -6.949824      2.599829      6.812794
  C      -8.121198      2.846810      6.052864
  O      -8.377372      2.301424      4.980914
  C      -9.014503      3.875253      6.656404
  C      -8.888275      4.281530      7.993612
  C      -9.764339      5.231288      8.516052
  C     -10.756881      5.796761      7.713233
  C     -10.858817      5.396026      6.378568
  Br    -12.205130      6.175399      5.275441
  C     -10.005380      4.442454      5.839399
  H      -1.510903     -0.722532      4.676519
  H      -4.841306     -2.377252      1.917803
  H      -4.539263     -4.853945      2.072659
  H      -3.622516     -5.870210      4.149678
  H      -3.284685     -1.960915      5.923564
  H      -5.191329      4.366293      3.930211
  H      -8.562369      7.635345      3.302437
  H     -10.234456      9.046456      4.518858
  H      -9.942147      9.504918      6.946714
  H      -6.294948      7.195758      6.935184
  H      -6.108766      1.853865      5.040413
  H      -8.112865      3.835617      8.614365
  H      -9.677320      5.544495      9.557280
  H     -11.443882      6.538823      8.118598
  H     -10.080799      4.131416      4.797886
  N      -3.675878      2.567636      2.953472
  H      -3.033928      1.934772      2.468278
  H      -3.560290      3.501531      2.548914
  H      -4.615978      2.224800      2.713441
75
Coordinates from ORCA-job orca E -13784.701760869120
  N      -1.664504      1.379823      5.191412
  Mo     -3.408826      2.461697      5.186396
  N      -4.738309      1.890068      6.563606
  C      -4.449843      2.050545      7.991530
  C      -2.936923      2.102981      8.139882
  N      -2.388084      3.026165      7.099012
  C      -0.912422      2.875399      6.894295
  C      -0.584848      1.581914      6.152847
  C      -2.702333      4.457123      7.432570
  C      -2.785323      5.268640      6.154810
  N      -3.551760      4.477181      5.183297
  H       0.390876      1.683728      5.653272
  H      -0.524321      0.722669      6.837350
  H      -0.595630      3.734672      6.288088
  H      -0.391962      2.931414      7.862801
  H      -3.296493      6.224097      6.338086
  H      -1.792520      5.489711      5.734415
  H      -3.677947      4.476048      7.931411
  H      -1.945101      4.845480      8.131047
  H      -4.860361      1.200034      8.556873
  H      -4.951984      2.954586      8.371022
  H      -2.507581      1.107579      7.962649
  H      -2.634692      2.436434      9.145468
  C      -2.111356      0.191593      4.760227
  N      -3.399157      0.302731      4.473884
  C      -4.240175     -0.570478      3.783799
  O      -5.164395     -0.098340      3.122005
  C      -4.008621     -2.035506      3.903679
  C      -4.408464     -2.861270      2.842241
  C      -4.233223     -4.238531      2.933701
  C      -3.681675     -4.811141      4.083278
  C      -3.307359     -3.981519      5.140467
  Br     -2.584336     -4.747367      6.727244
  C      -3.457555     -2.600383      5.064851
  C      -4.692223      5.012087      4.659338
  N      -5.208013      6.144136      5.023951
  C      -6.365563      6.514906      4.300469
  O      -6.567535      6.174201      3.135259
  C      -7.321544      7.375007      5.053065
  C      -8.430477      7.907126      4.379796
  C      -9.350523      8.693377      5.066436
  C      -9.191051      8.944018      6.432062
  C      -8.092558      8.393716      7.092255
  Br     -7.879699      8.698736      8.965759
  C      -7.148238      7.622934      6.423364
  C      -5.996491      2.083692      6.089986
  N      -6.973048      2.567528      6.799156
  C      -8.148170      2.818497      6.049050
  O      -8.419660      2.262086      4.987043
  C      -9.022063      3.866413      6.648285
  C      -8.877294      4.288074      7.978868
  C      -9.731062      5.260644      8.495499
  C     -10.718837      5.834027      7.692121
  C     -10.838872      5.417650      6.363999
  Br    -12.175804      6.210621      5.258628
  C     -10.009507      4.439969      5.831958
  H      -1.490139     -0.709946      4.666181
  H      -4.854584     -2.409303      1.956602
  H      -4.532863     -4.883043      2.106740
  H      -3.553471     -5.889987      4.159539
  H      -3.193990     -1.977998      5.918909
  H      -5.211065      4.391308      3.910391
  H      -8.553872      7.691913      3.318548
  H     -10.210663      9.112648      4.543598
  H      -9.910675      9.558354      6.972438
  H      -6.287208      7.211094      6.945747
  H      -6.135356      1.859335      5.013922
  H      -8.104709      3.836490      8.599161
  H      -9.629398      5.586408      9.531451
  H     -11.387997      6.594694      8.092077
  H     -10.100783      4.115588      4.795789
  N      -3.743455      2.553994      2.949866
  H      -3.077774      1.946822      2.460364
  H      -3.672381      3.489081      2.536116
  H      -4.669782      2.161932      2.727247
75
Coordinates from ORCA-job orca E -13784.702297320880
  N      -1.660358      1.394812      5.163845
  Mo     -3.412999      2.464904      5.170519
  N      -4.753641      1.893427      6.535373
  C      -4.467620      2.024009      7.965710
  C      -2.954968      2.070898      8.118604
  N      -2.404536      3.010363      7.093661
  C      -0.927810      2.869565      6.895736
  C      -0.586721      1.591990      6.134152
  C      -2.725413      4.435447      7.442837
  C      -2.791828      5.263268      6.174217
  N      -3.549808      4.484608      5.186102
  H       0.389691      1.713701      5.640141
  H      -0.520024      0.721645      6.803584
  H      -0.610071      3.741081      6.308158
  H      -0.411911      2.909906      7.867390
  H      -3.301885      6.218283      6.362722
  H      -1.793470      5.485612      5.767160
  H      -3.707982      4.447413      7.928955
  H      -1.978553      4.814214      8.158129
  H      -4.883792      1.164129      8.512244
  H      -4.966221      2.922115      8.363366
  H      -2.525871      1.078571      7.924036
  H      -2.651428      2.387618      9.128855
  C      -2.102852      0.200964      4.739166
  N      -3.395384      0.299710      4.463307
  C      -4.233316     -0.586196      3.784076
  O      -5.167016     -0.126143      3.127432
  C      -3.988900     -2.048612      3.913504
  C      -4.395586     -2.886832      2.864801
  C      -4.208477     -4.262119      2.965929
  C      -3.637997     -4.820338      4.113294
  C      -3.256399     -3.978931      5.157892
  Br     -2.504977     -4.725131      6.740696
  C      -3.419218     -2.599610      5.072233
  C      -4.685430      5.026515      4.661230
  N      -5.201133      6.155199      5.034453
  C      -6.353390      6.538191      4.308127
  O      -6.547671      6.212386      3.136080
  C      -7.311177      7.391321      5.066367
  C      -8.418972      7.927647      4.394117
  C      -9.339391      8.711214      5.084009
  C      -9.181412      8.954973      6.451093
  C      -8.084352      8.400426      7.109987
  Br     -7.875785      8.698403      8.984377
  C      -7.140303      7.631076      6.438283
  C      -6.009962      2.094189      6.062678
  N      -6.987446      2.563148      6.780115
  C      -8.168268      2.815800      6.037518
  O      -8.450957      2.252089      4.981655
  C      -9.030827      3.872065      6.637578
  C      -8.873036      4.303428      7.963355
  C      -9.716426      5.285412      8.478999
  C     -10.706380      5.859877      7.679237
  C     -10.839872      5.434191      6.355565
  Br    -12.179401      6.229241      5.255587
  C     -10.021540      4.445461      5.824746
  H      -1.471581     -0.693327      4.645397
  H      -4.855764     -2.445828      1.981007
  H      -4.513575     -4.915938      2.148718
  H      -3.500543     -5.897565      4.197555
  H      -3.149899     -1.968447      5.917585
  H      -5.201295      4.413331      3.904680
  H      -8.540564      7.718874      3.331502
  H     -10.198466      9.133914      4.562631
  H      -9.901203      9.566910      6.994386
  H      -6.280593      7.215605      6.959497
  H      -6.143866      1.884162      4.982667
  H      -8.098700      3.851569      8.581095
  H      -9.603680      5.618681      9.511104
  H     -11.366568      6.629014      8.078090
  H     -10.124370      4.113092      4.792397
  N      -3.798514      2.542844      2.946838
  H      -3.117759      1.967706      2.443068
  H      -3.778866      3.478490      2.531159
  H      -4.709324      2.106927      2.746190
75
Coordinates from ORCA-job orca E -13784.702762692030
  N      -1.658965      1.405411      5.144897
  Mo     -3.420893      2.463309      5.158696
  N      -4.771348      1.892585      6.512360
  C      -4.486353      1.997053      7.944280
  C      -2.975063      2.047485      8.100460
  N      -2.424324      3.000911      7.088463
  C      -0.945896      2.869941      6.898787
  C      -0.590163      1.604774      6.121612
  C      -2.754049      4.421336      7.443692
  C      -2.803891      5.256888      6.179733
  N      -3.555911      4.485899      5.181058
  H       0.385729      1.745304      5.631583
  H      -0.513910      0.727026      6.780132
  H      -0.627741      3.750954      6.326144
  H      -0.435354      2.899032      7.873834
  H      -3.311111      6.213296      6.368420
  H      -1.801157      5.476952      5.783159
  H      -3.743438      4.428028      7.915552
  H      -2.019714      4.797430      8.172909
  H      -4.901445      1.126294      8.474098
  H      -4.987325      2.886258      8.358720
  H      -2.542084      1.059447      7.893013
  H      -2.673798      2.351940      9.115136
  C      -2.096473      0.206286      4.729047
  N      -3.390159      0.293197      4.458336
  C      -4.222325     -0.605554      3.787264
  O      -5.159810     -0.156481      3.126669
  C      -3.965469     -2.065394      3.922484
  C      -4.377106     -2.912076      2.882463
  C      -4.179834     -4.285856      2.988959
  C      -3.592891     -4.834441      4.133265
  C      -3.205249     -3.984851      5.169082
  Br     -2.429616     -4.717392      6.747393
  C      -3.379665     -2.606811      5.078063
  C      -4.687061      5.038129      4.656207
  N      -5.196213      6.167316      5.035442
  C      -6.343402      6.566255      4.310568
  O      -6.537541      6.254105      3.135826
  C      -7.297232      7.416605      5.074961
  C      -8.403853      7.961624      4.406852
  C      -9.321138      8.743403      5.102694
  C      -9.161347      8.976359      6.471615
  C      -8.065234      8.414145      7.125857
  Br     -7.856970      8.697091      9.002974
  C      -7.124723      7.645952      6.448203
  C      -6.029141      2.098911      6.043455
  N      -7.006726      2.553578      6.769269
  C      -8.192871      2.805784      6.035901
  O      -8.487217      2.232360      4.989171
  C      -9.045812      3.870689      6.634436
  C      -8.877064      4.310871      7.956339
  C      -9.709232      5.303966      8.469632
  C     -10.697114      5.882592      7.670473
  C     -10.842778      5.447063      6.350880
  Br    -12.178993      6.247425      5.251115
  C     -10.037821      4.445065      5.823669
  H      -1.457578     -0.683281      4.638572
  H      -4.849445     -2.478370      2.001128
  H      -4.489882     -4.945959      2.178523
  H      -3.447158     -5.910606      4.222103
  H      -3.106025     -1.970033      5.917945
  H      -5.205373      4.433561      3.895219
  H      -8.526637      7.761102      3.342943
  H     -10.179650      9.172203      4.585297
  H      -9.879835      9.584806      7.020833
  H      -6.266760      7.222695      6.966350
  H      -6.161237      1.903788      4.961562
  H      -8.103408      3.856939      8.573390
  H      -9.588040      5.643830      9.499158
  H     -11.346139      6.662842      8.066418
  H     -10.151682      4.103980      4.795176
  N      -3.838096      2.528073      2.941810
  H      -3.134093      1.988554      2.429927
  H      -3.871086      3.461871      2.522860
  H      -4.727191      2.043140      2.754032
75
Coordinates from ORCA-job orca E -13784.703184196082
  N      -1.659060      1.408940      5.131445
  Mo     -3.427466      2.458904      5.147115
  N      -4.790454      1.891891      6.489841
  C      -4.505709      1.975520      7.922976
  C      -2.994737      2.026791      8.083201
  N      -2.442562      2.990641      7.082217
  C      -0.961862      2.866077      6.901440
  C      -0.594335      1.610520      6.112754
  C      -2.780036      4.406897      7.442589
  C      -2.814687      5.248131      6.182222
  N      -3.562118      4.483971      5.173742
  H       0.381495      1.764397      5.626671
  H      -0.511047      0.728127      6.764138
  H      -0.642038      3.753977      6.340812
  H      -0.457841      2.885917      7.880094
  H      -3.317608      6.206578      6.370920
  H      -1.807112      5.464978      5.796047
  H      -3.775451      4.408731      7.902091
  H      -2.056657      4.782068      8.183507
  H      -4.919433      1.095746      8.439151
  H      -5.009153      2.857160      8.350940
  H      -2.558863      1.041787      7.866752
  H      -2.696992      2.321692      9.101883
  C      -2.092472      0.208119      4.720141
  N      -3.385788      0.288096      4.447510
  C      -4.210578     -0.620945      3.780837
  O      -5.150741     -0.182385      3.116971
  C      -3.947976     -2.078500      3.927879
  C      -4.356209     -2.936177      2.895555
  C      -4.148651     -4.307551      3.011861
  C      -3.553916     -4.843488      4.158380
  C      -3.170318     -3.983379      5.186911
  Br     -2.383279     -4.697356      6.768287
  C      -3.356352     -2.607310      5.086384
  C      -4.688211      5.046312      4.646852
  N      -5.192033      6.175850      5.031326
  C      -6.333597      6.589638      4.307849
  O      -6.522836      6.296876      3.126175
  C      -7.289291      7.431320      5.081138
  C      -8.397764      7.981453      4.419221
  C      -9.315575      8.756047      5.123102
  C      -9.152919      8.978549      6.493691
  C      -8.054878      8.412722      7.141600
  Br     -7.841036      8.684885      9.019331
  C      -7.115431      7.649889      6.456237
  C      -6.048679      2.105535      6.024416
  N      -7.024397      2.550441      6.757564
  C      -8.213832      2.806551      6.032298
  O      -8.518336      2.231179      4.988841
  C      -9.057408      3.877928      6.632414
  C      -8.874647      4.322802      7.950254
  C      -9.694568      5.325232      8.464814
  C     -10.683518      5.909071      7.671155
  C     -10.844344      5.467390      6.355681
  Br    -12.181863      6.273616      5.262246
  C     -10.052299      4.455553      5.827446
  H      -1.449099     -0.678702      4.633281
  H      -4.832895     -2.511951      2.011883
  H      -4.455815     -4.975722      2.207008
  H      -3.398822     -5.917709      4.254677
  H      -3.085702     -1.962889      5.921330
  H      -5.209416      4.449428      3.880784
  H      -8.521114      7.790431      3.353458
  H     -10.175569      9.188416      4.610927
  H      -9.870677      9.582174      7.049132
  H      -6.255643      7.223471      6.969123
  H      -6.180899      1.924930      4.939954
  H      -8.099507      3.865806      8.563255
  H      -9.562419      5.669004      9.491067
  H     -11.321473      6.698121      8.068135
  H     -10.178740      4.109007      4.802571
  N      -3.853543      2.523576      2.931620
  H      -3.123982      2.022886      2.414462
  H      -3.934806      3.455374      2.514089
  H      -4.718011      1.993550      2.744879
75
Coordinates from ORCA-job orca E -13784.703566738079
  N      -1.660356      1.413384      5.122036
  Mo     -3.435149      2.454454      5.136296
  N      -4.808103      1.888013      6.470086
  C      -4.524596      1.953469      7.904473
  C      -3.015021      2.008060      8.068659
  N      -2.460557      2.982157      7.078085
  C      -0.977577      2.863647      6.906934
  C      -0.598910      1.617932      6.106908
  C      -2.803862      4.395083      7.442887
  C      -2.825558      5.240594      6.185529
  N      -3.570313      4.481751      5.170962
  H       0.376233      1.784266      5.623646
  H      -0.508678      0.731150      6.751522
  H      -0.656243      3.758436      6.358523
  H      -0.481461      2.874370      7.889816
  H      -3.323671      6.201506      6.373824
  H      -1.814220      5.453135      5.807516
  H      -3.803988      4.393483      7.891741
  H      -2.089504      4.769017      8.192957
  H      -4.936072      1.065929      8.409218
  H      -5.031587      2.827876      8.343011
  H      -2.575189      1.026484      7.844560
  H      -2.722273      2.294520      9.091321
  C      -2.088977      0.210676      4.714139
  N      -3.381101      0.285228      4.437414
  C      -4.198139     -0.631947      3.772979
  O      -5.135704     -0.200795      3.098842
  C      -3.930469     -2.087293      3.929453
  C      -4.329027     -2.953071      2.899831
  C      -4.112341     -4.322559      3.024062
  C      -3.516931     -4.849051      4.175131
  C      -3.143645     -3.980944      5.201032
  Br     -2.355642     -4.680869      6.788926
  C      -3.339968     -2.606410      5.093191
  C      -4.691516      5.052947      4.642169
  N      -5.187642      6.186001      5.026082
  C      -6.323492      6.611352      4.302992
  O      -6.510611      6.330124      3.118731
  C      -7.278108      7.450982      5.078885
  C      -8.387705      8.003673      4.420556
  C      -9.304670      8.774883      5.128165
  C      -9.138634      8.993131      6.499070
  C      -8.038409      8.426902      7.143185
  Br     -7.818339      8.694158      9.020968
  C      -7.101071      7.666166      6.454114
  C      -6.068712      2.106888      6.008042
  N      -7.042192      2.542143      6.749232
  C      -8.235288      2.801115      6.033809
  O      -8.551042      2.223190      4.995279
  C      -9.070782      3.876947      6.638425
  C      -8.875012      4.322599      7.954441
  C      -9.682889      5.333073      8.473120
  C     -10.671819      5.924558      7.685262
  C     -10.846719      5.480188      6.372003
  Br    -12.184357      6.295530      5.285479
  C     -10.067697      4.460039      5.840191
  H      -1.442193     -0.674009      4.630122
  H      -4.805102     -2.536151      2.012115
  H      -4.412007     -4.996907      2.221332
  H      -3.353213     -5.921792      4.277094
  H      -3.077135     -1.956159      5.926305
  H      -5.218374      4.461206      3.875417
  H      -8.512895      7.816233      3.354426
  H     -10.166356      9.208004      4.619221
  H      -9.855930      9.593653      7.057853
  H      -6.239964      7.238223      6.963943
  H      -6.202362      1.938956      4.922055
  H      -8.098871      3.860863      8.562615
  H      -9.540516      5.678161      9.497564
  H     -11.298048      6.722017      8.084694
  H     -10.205020      4.111447      4.816863
  N      -3.871786      2.511865      2.923566
  H      -3.116423      2.054680      2.401351
  H      -4.008373      3.436999      2.504680
  H      -4.705726      1.931048      2.741624
75
Coordinates from ORCA-job orca E -13784.703916157741
  N      -1.658662      1.415271      5.118282
  Mo     -3.437834      2.450960      5.130058
  N      -4.821991      1.889390      6.455255
  C      -4.539484      1.940987      7.890819
  C      -3.029476      1.993194      8.059939
  N      -2.471388      2.972574      7.077178
  C      -0.986557      2.857219      6.914899
  C      -0.600754      1.618883      6.106942
  C      -2.819299      4.383315      7.445616
  C      -2.830820      5.232833      6.190417
  N      -3.571361      4.479445      5.168249
  H       0.374722      1.792001      5.626948
  H      -0.508123      0.728687      6.746603
  H      -0.662962      3.756850      6.376032
  H      -0.498563      2.860671      7.901846
  H      -3.325999      6.195298      6.378448
  H      -1.815945      5.442982      5.821008
  H      -3.823205      4.378876      7.885897
  H      -2.111522      4.755707      8.202712
  H      -4.950775      1.048197      8.386479
  H      -5.048073      2.810311      8.337194
  H      -2.588895      1.012821      7.832142
  H      -2.740950      2.273516      9.085546
  C      -2.084836      0.212119      4.710070
  N      -3.375680      0.285944      4.428189
  C      -4.188103     -0.633393      3.762561
  O      -5.120645     -0.203961      3.079305
  C      -3.921196     -2.087393      3.926257
  C      -4.309154     -2.958708      2.896739
  C      -4.086830     -4.326874      3.027125
  C      -3.495960     -4.846830      4.183537
  C      -3.134515     -3.973212      5.209461
  Br     -2.353360     -4.663486      6.805000
  C      -3.336885     -2.599781      5.096044
  C      -4.687098      5.056671      4.635675
  N      -5.178582      6.192748      5.017046
  C      -6.309619      6.623171      4.291622
  O      -6.490913      6.349497      3.104749
  C      -7.269755      7.456524      5.068108
  C      -8.383337      8.002622      4.411363
  C      -9.306457      8.764995      5.120615
  C      -9.141519      8.982591      6.491923
  C      -8.035905      8.425308      7.134326
  Br     -7.814170      8.693908      9.012197
  C      -7.093293      7.672182      6.443467
  C      -6.083626      2.113531      5.997841
  N      -7.054418      2.541342      6.746540
  C      -8.251575      2.804689      6.040725
  O      -8.577746      2.227784      5.005023
  C      -9.078406      3.884198      6.650853
  C      -8.870051      4.328984      7.965107
  C      -9.666955      5.345634      8.488503
  C     -10.657160      5.944030      7.707417
  C     -10.846188      5.498342      6.396941
  Br    -12.188759      6.319727      5.321120
  C     -10.078358      4.472400      5.860469
  H      -1.437214     -0.672367      4.628473
  H      -4.780659     -2.546862      2.004279
  H      -4.377599     -5.005698      2.224586
  H      -3.326417     -5.918473      4.289593
  H      -3.082801     -1.945234      5.928771
  H      -5.216359      4.467452      3.868562
  H      -8.507404      7.815843      3.344971
  H     -10.172190      9.191727      4.613269
  H      -9.864218      9.575930      7.052238
  H      -6.228399      7.250008      6.951686
  H      -6.219245      1.958768      4.910310
  H      -8.092777      3.862519      8.568253
  H      -9.515255      5.690541      9.511852
  H     -11.273274      6.747459      8.110252
  H     -10.227081      4.122492      4.839789
  N      -3.878469      2.507405      2.918110
  H      -3.100315      2.095082      2.391918
  H      -4.066668      3.424014      2.500253
  H      -4.680285      1.880717      2.736960
75
Coordinates from ORCA-job orca E -13784.704231306385
  N      -1.657196      1.418782      5.117483
  Mo     -3.440378      2.449715      5.122122
  N      -4.834098      1.885785      6.437980
  C      -4.555146      1.924065      7.875471
  C      -3.045668      1.975750      8.051409
  N      -2.482072      2.961486      7.078201
  C      -0.995729      2.849945      6.926365
  C      -0.602741      1.619781      6.110197
  C      -2.834347      4.369996      7.451584
  C      -2.837439      5.225160      6.200377
  N      -3.573717      4.477760      5.170962
  H       0.372799      1.799666      5.632998
  H      -0.508426      0.725246      6.743498
  H      -0.669850      3.755059      6.398301
  H      -0.516948      2.845410      7.917760
  H      -3.331923      6.187707      6.389472
  H      -1.820023      5.435071      5.837890
  H      -3.841811      4.362127      7.883694
  H      -2.132223      4.739379      8.215520
  H      -4.966370      1.026326      8.362184
  H      -5.066382      2.788660      8.327870
  H      -2.603382      0.996902      7.820010
  H      -2.763447      2.249205      9.080691
  C      -2.079416      0.215331      4.705181
  N      -3.368981      0.288908      4.417058
  C      -4.177170     -0.630657      3.748217
  O      -5.103811     -0.202246      3.055791
  C      -3.912485     -2.083546      3.920360
  C      -4.285896     -2.959571      2.889259
  C      -4.058979     -4.326287      3.026545
  C      -3.478938     -4.840173      4.190934
  C      -3.133922     -3.961873      5.218655
  Br     -2.368931     -4.644072      6.825216
  C      -3.340248     -2.589789      5.098694
  C      -4.684084      5.060675      4.634218
  N      -5.170964      6.200099      5.012152
  C      -6.295482      6.634312      4.279430
  O      -6.465849      6.366220      3.088953
  C      -7.262441      7.464120      5.052085
  C      -8.379487      7.999155      4.393087
  C      -9.309336      8.755682      5.099385
  C      -9.146415      8.980600      6.469472
  C      -8.035756      8.436207      7.113880
  Br     -7.811873      8.718588      8.989063
  C      -7.087647      7.687002      6.426698
  C      -6.095895      2.115806      5.982884
  N      -7.063533      2.535966      6.740215
  C      -8.264996      2.805711      6.045451
  O      -8.602191      2.233017      5.010662
  C      -9.082271      3.886597      6.667571
  C      -8.857724      4.327873      7.980494
  C      -9.642632      5.348911      8.513822
  C     -10.638009      5.954125      7.744482
  C     -10.843931      5.510514      6.435857
  Br    -12.194755      6.340010      5.376274
  C     -10.087362      4.481379      5.889228
  H      -1.431260     -0.668654      4.624930
  H      -4.748230     -2.552548      1.989922
  H      -4.336920     -5.009066      2.222868
  H      -3.304920     -5.910545      4.301502
  H      -3.098289     -1.930995      5.931639
  H      -5.214833      4.474008      3.866391
  H      -8.501581      7.807644      3.327225
  H     -10.178536      9.172928      4.590216
  H      -9.874210      9.569965      7.026646
  H      -6.218880      7.274694      6.936240
  H      -6.235831      1.973743      4.894147
  H      -8.076576      3.856351      8.574405
  H      -9.477500      5.692406      9.535276
  H     -11.244046      6.761780      8.154546
  H     -10.248405      4.133787      4.869228
  N      -3.887430      2.501735      2.913810
  H      -3.087813      2.137742      2.383797
  H      -4.129598      3.406154      2.496966
  H      -4.652818      1.827907      2.735479
75
Coordinates from ORCA-job orca E -13784.704484529717
  N      -1.652419      1.420108      5.122229
  Mo     -3.437912      2.449439      5.117667
  N      -4.842648      1.890603      6.424152
  C      -4.567290      1.918616      7.863156
  C      -3.057629      1.966214      8.046688
  N      -2.487613      2.953399      7.080159
  C      -1.000532      2.843333      6.938882
  C      -0.602811      1.616711      6.120505
  C      -2.843801      4.361076      7.455075
  C      -2.839744      5.219826      6.206060
  N      -3.569885      4.476248      5.169475
  H       0.374310      1.798630      5.647358
  H      -0.510946      0.719542      6.750377
  H      -0.671234      3.750895      6.417240
  H      -0.530001      2.834819      7.934255
  H      -3.335980      6.181705      6.394601
  H      -1.820190      5.431040      5.850212
  H      -3.854411      4.350995      7.879835
  H      -2.146549      4.728358      8.224465
  H      -4.980946      1.018130      8.342517
  H      -5.079501      2.780384      8.319293
  H      -2.615878      0.987024      7.815616
  H      -2.780721      2.235793      9.078403
  C      -2.072334      0.216826      4.704596
  N      -3.359770      0.292860      4.407820
  C      -4.164639     -0.623322      3.731943
  O      -5.080632     -0.191565      3.027061
  C      -3.907123     -2.076136      3.910411
  C      -4.266115     -2.954017      2.875539
  C      -4.041683     -4.320769      3.018834
  C      -3.479858     -4.832429      4.192790
  C      -3.150389     -3.952035      5.224219
  Br     -2.411821     -4.632006      6.843559
  C      -3.353094     -2.580036      5.098314
  C      -4.674531      5.062258      4.626077
  N      -5.158925      6.204435      4.999269
  C      -6.280371      6.637958      4.261307
  O      -6.443226      6.370858      3.070216
  C      -7.254573      7.461695      5.030772
  C      -8.377363      7.981133      4.369936
  C      -9.316533      8.727916      5.074072
  C      -9.157429      8.958776      6.443657
  C      -8.039534      8.431591      7.089481
  Br     -7.818646      8.724512      8.964387
  C      -7.082120      7.691540      6.404622
  C      -6.104217      2.126314      5.973616
  N      -7.069101      2.538903      6.738692
  C      -8.275746      2.814680      6.055072
  O      -8.623058      2.246865      5.021463
  C      -9.084588      3.895009      6.689220
  C      -8.845850      4.332335      8.000974
  C      -9.622194      5.354292      8.544641
  C     -10.624362      5.963559      7.787092
  C     -10.845605      5.522751      6.480183
  Br    -12.208854      6.355029      5.438439
  C     -10.096731      4.493706      5.923032
  H      -1.425692     -0.668600      4.628957
  H      -4.714298     -2.548935      1.968346
  H      -4.307129     -5.005625      2.212507
  H      -3.307827     -5.902817      4.307488
  H      -3.122916     -1.918568      5.932597
  H      -5.203518      4.475271      3.858045
  H      -8.497042      7.784713      3.304689
  H     -10.191195      9.131921      4.563824
  H      -9.894309      9.538527      6.999326
  H      -6.208783      7.291372      6.915595
  H      -6.248009      1.998405      4.884042
  H      -8.060451      3.857082      8.586286
  H      -9.445774      5.695225      9.565401
  H     -11.223500      6.772356      8.204880
  H     -10.269641      4.148384      4.904346
  N      -3.880190      2.502539      2.909468
  H      -3.060189      2.188314      2.379155
  H      -4.171473      3.393626      2.495557
  H      -4.608318      1.787044      2.728514
75
Coordinates from ORCA-job orca E -13784.704665977602
  N      -1.650006      1.422477      5.126049
  Mo     -3.436756      2.451781      5.108603
  N      -4.849849      1.891344      6.405896
  C      -4.578861      1.907561      7.846321
  C      -3.070957      1.955713      8.037252
  N      -2.494983      2.948040      7.079625
  C      -1.007378      2.840355      6.948968
  C      -0.604072      1.616836      6.128679
  C      -2.854549      4.354230      7.456808
  C      -2.842637      5.217395      6.211551
  N      -3.568168      4.477587      5.169215
  H       0.373949      1.802181      5.658691
  H      -0.512900      0.717444      6.755324
  H      -0.674819      3.750248      6.433579
  H      -0.543241      2.828004      7.947393
  H      -3.340394      6.178388      6.400542
  H      -1.821643      5.429950      5.860571
  H      -3.868166      4.342325      7.873997
  H      -2.162801      4.718863      8.232308
  H      -4.994500      1.003601      8.317251
  H      -5.093136      2.765926      8.306687
  H      -2.627417      0.977845      7.803531
  H      -2.800094      2.219405      9.072200
  C      -2.065940      0.218590      4.705262
  N      -3.351535      0.294310      4.399492
  C      -4.151362     -0.621539      3.718096
  O      -5.057578     -0.189642      2.999986
  C      -3.899603     -2.074218      3.904797
  C      -4.247244     -2.954915      2.868756
  C      -4.026620     -4.321441      3.019774
  C      -3.481157     -4.829544      4.202851
  C      -3.163264     -3.946159      5.235321
  Br     -2.447923     -4.622187      6.866437
  C      -3.361172     -2.574530      5.101443
  C      -4.667441      5.069392      4.620505
  N      -5.148635      6.212793      4.993144
  C      -6.265361      6.651066      4.249534
  O      -6.417462      6.392535      3.054051
  C      -7.246296      7.467549      5.019168
  C      -8.375623      7.973093      4.358633
  C      -9.322088      8.711236      5.062922
  C      -9.163061      8.948500      6.431129
  C      -8.037683      8.436431      7.075823
  Br     -7.814092      8.743458      8.947189
  C      -7.073976      7.703338      6.391952
  C      -6.110946      2.134111      5.957220
  N      -7.073713      2.538314      6.729416
  C      -8.284312      2.818923      6.055847
  O      -8.639325      2.255787      5.021918
  C      -9.086878      3.897469      6.701717
  C      -8.832926      4.334125      8.010800
  C      -9.602224      5.356034      8.564326
  C     -10.613674      5.965309      7.819162
  C     -10.851295      5.524470      6.515323
  Br    -12.228270      6.355805      5.490781
  C     -10.109073      4.495892      5.948714
  H      -1.419591     -0.667557      4.635283
  H      -4.682896     -2.552677      1.954228
  H      -4.282366     -5.008855      2.212641
  H      -3.312714     -5.899686      4.323359
  H      -3.139656     -1.909492      5.935157
  H      -5.195548      4.485585      3.850157
  H      -8.494801      7.772504      3.294173
  H     -10.202351      9.103450      4.553230
  H      -9.905676      9.521055      6.986474
  H      -6.195061      7.315164      6.902406
  H      -6.258538      2.018498      4.866972
  H      -8.040763      3.858331      8.586406
  H      -9.413008      5.696923      9.582779
  H     -11.207302      6.774428      8.243860
  H     -10.294896      4.150473      4.932599
  N      -3.877172      2.499950      2.902521
  H      -3.039794      2.234794      2.372950
  H      -4.215377      3.375331      2.491383
  H      -4.566957      1.746536      2.719441
75
Coordinates from ORCA-job orca E -13784.704801943142
  N      -1.645055      1.423954      5.129438
  Mo     -3.433635      2.453735      5.102494
  N      -4.857602      1.897561      6.388483
  C      -4.589170      1.899000      7.830020
  C      -3.081020      1.943175      8.028150
  N      -2.500800      2.940175      7.079979
  C      -1.012962      2.835730      6.958200
  C      -0.603732      1.615403      6.136979
  C      -2.866536      4.343732      7.461384
  C      -2.846166      5.213036      6.220797
  N      -3.564454      4.478263      5.168496
  H       0.375841      1.804095      5.671692
  H      -0.513879      0.714067      6.760790
  H      -0.678184      3.747521      6.447564
  H      -0.553500      2.820772      7.958820
  H      -3.346355      6.172429      6.411158
  H      -1.823157      5.428473      5.877415
  H      -3.883675      4.327689      7.869835
  H      -2.182370      4.705559      8.244968
  H      -5.007191      0.990551      8.290066
  H      -5.104607      2.752752      8.297809
  H      -2.636706      0.966269      7.791172
  H      -2.814547      2.200186      9.066033
  C      -2.057870      0.220126      4.706077
  N      -3.341297      0.294937      4.390072
  C      -4.133175     -0.621192      3.700386
  O      -5.028322     -0.189109      2.968206
  C      -3.889023     -2.073958      3.895858
  C      -4.226763     -2.957902      2.859297
  C      -4.013516     -4.324785      3.019064
  C      -3.486245     -4.829388      4.211732
  C      -3.177852     -3.942634      5.244447
  Br     -2.487999     -4.614676      6.887877
  C      -3.367819     -2.570832      5.101575
  C      -4.657898      5.075296      4.612461
  N      -5.139189      6.218444      4.984874
  C      -6.251040      6.660539      4.234831
  O      -6.393205      6.408429      3.037839
  C      -7.239321      7.469295      5.001665
  C      -8.371796      7.963180      4.336651
  C      -9.325872      8.694341      5.037011
  C      -9.171379      8.936137      6.405280
  C      -8.042718      8.435855      7.054306
  Br     -7.826138      8.750911      8.926249
  C      -7.071838      7.709190      6.374556
  C      -6.117847      2.149065      5.943875
  N      -7.078638      2.542733      6.723827
  C      -8.293302      2.830463      6.060027
  O      -8.656735      2.273550      5.025371
  C      -9.089575      3.905154      6.720032
  C      -8.818828      4.339666      8.026461
  C      -9.582669      5.358654      8.593610
  C     -10.606230      5.967050      7.864619
  C     -10.860871      5.528644      6.562702
  Br    -12.253619      6.359436      5.559195
  C     -10.123672      4.503102      5.982531
  H      -1.411926     -0.666480      4.642158
  H      -4.648620     -2.558397      1.937160
  H      -4.261115     -5.015031      2.211690
  H      -3.324615     -5.899850      4.339183
  H      -3.153945     -1.902127      5.934430
  H      -5.180069      4.495012      3.835564
  H      -8.486486      7.759994      3.271957
  H     -10.208791      9.076999      4.524190
  H      -9.920514      9.501954      6.957788
  H      -6.191014      7.329850      6.888737
  H      -6.267323      2.050501      4.851938
  H      -8.017889      3.863994      8.589867
  H      -9.379407      5.697933      9.609778
  H     -11.195984      6.774259      8.299763
  H     -10.323082      4.159284      4.967735
  N      -3.869998      2.505845      2.896328
  H      -3.017692      2.292099      2.366698
  H      -4.252400      3.366709      2.493289
  H      -4.523005      1.720209      2.705993
75
Coordinates from ORCA-job orca E -13784.704886067935
  N      -1.640536      1.426665      5.132279
  Mo     -3.428093      2.460074      5.089916
  N      -4.859979      1.905696      6.367627
  C      -4.596038      1.894584      7.810000
  C      -3.090259      1.939612      8.014705
  N      -2.504463      2.941856      7.074782
  C      -1.016543      2.839092      6.962671
  C      -0.602872      1.618022      6.143992
  C      -2.872855      4.344325      7.456856
  C      -2.843862      5.216838      6.218872
  N      -3.556034      4.484553      5.160396
  H       0.378572      1.807137      5.682611
  H      -0.515446      0.716807      6.768429
  H      -0.678630      3.750662      6.453693
  H      -0.561417      2.824697      7.965424
  H      -3.346153      6.175411      6.408745
  H      -1.819309      5.433894      5.881458
  H      -3.892708      4.328010      7.857974
  H      -2.194599      4.704044      8.246283
  H      -5.016936      0.982973      8.261048
  H      -5.113270      2.744435      8.282353
  H      -2.644314      0.964300      7.774857
  H      -2.829029      2.190735      9.055306
  C      -2.050623      0.221053      4.710854
  N      -3.331049      0.294687      4.383261
  C      -4.114253     -0.621867      3.685703
  O      -4.995260     -0.189300      2.936210
  C      -3.882003     -2.074849      3.893341
  C      -4.213458     -2.963137      2.859092
  C      -4.014134     -4.330614      3.031626
  C      -3.507459     -4.830744      4.235003
  C      -3.204084     -3.939419      5.264830
  Br     -2.543081     -4.605723      6.922145
  C      -3.379816     -2.567226      5.108943
  C      -4.644790      5.087126      4.600967
  N      -5.125131      6.228631      4.977613
  C      -6.237307      6.675364      4.230047
  O      -6.374670      6.436889      3.029932
  C      -7.232340      7.467944      5.006018
  C      -8.377067      7.945044      4.349796
  C      -9.339438      8.658326      5.059207
  C      -9.180562      8.899595      6.427251
  C      -8.038624      8.418171      7.066423
  Br     -7.815603      8.736929      8.936643
  C      -7.060199      7.707846      6.378024
  C      -6.120332      2.164723      5.925300
  N      -7.080487      2.548473      6.709808
  C      -8.297072      2.840358      6.052035
  O      -8.664816      2.285985      5.018289
  C      -9.090737      3.913053      6.717136
  C      -8.808036      4.351531      8.019381
  C      -9.567724      5.369883      8.590410
  C     -10.599333      5.973789      7.869003
  C     -10.867606      5.530855      6.572042
  Br    -12.272521      6.354951      5.579857
  C     -10.134725      4.505711      5.988476
  H      -1.405434     -0.667196      4.656996
  H      -4.619868     -2.566990      1.928649
  H      -4.257067     -5.024460      2.226228
  H      -3.358078     -5.901696      4.372770
  H      -3.170456     -1.893919      5.938863
  H      -5.165229      4.510829      3.821236
  H      -8.494934      7.742145      3.285484
  H     -10.232808      9.026000      4.554080
  H      -9.937015      9.449687      6.987583
  H      -6.170128      7.341969      6.885308
  H      -6.269675      2.079759      4.832655
  H      -8.000549      3.879109      8.576554
  H      -9.354159      5.712309      9.603221
  H     -11.184927      6.781285      8.305764
  H     -10.344982      4.158182      4.977525
  N      -3.858772      2.504270      2.883228
  H      -2.994340      2.334907      2.356103
  H      -4.279171      3.349469      2.483650
  H      -4.478894      1.692485      2.687707
75
Coordinates from ORCA-job orca E -13784.704932318124
  N      -1.638282      1.427814      5.134901
  Mo     -3.424909      2.464959      5.089068
  N      -4.860928      1.909731      6.360454
  C      -4.598377      1.885229      7.802797
  C      -3.093208      1.929617      8.010345
  N      -2.506718      2.938424      7.078143
  C      -1.018763      2.837989      6.968906
  C      -0.601689      1.618953      6.147844
  C      -2.879350      4.337810      7.465514
  C      -2.843792      5.216351      6.231227
  N      -3.550471      4.489160      5.164432
  H       0.380033      1.810941      5.688473
  H      -0.513317      0.716885      6.770807
  H      -0.680813      3.750503      6.461806
  H      -0.564260      2.822567      7.971795
  H      -3.346632      6.174122      6.423080
  H      -1.817502      5.434950      5.900140
  H      -3.901581      4.318105      7.860640
  H      -2.207055      4.695152      8.261324
  H      -5.019749      0.969239      8.244509
  H      -5.117093      2.730211      8.282461
  H      -2.645679      0.956445      7.764953
  H      -2.834022      2.173923      9.053121
  C      -2.047833      0.222244      4.714334
  N      -3.326000      0.294095      4.380555
  C      -4.100976     -0.623739      3.675685
  O      -4.971175     -0.190604      2.912831
  C      -3.874491     -2.076920      3.885927
  C      -4.206226     -2.965454      2.851618
  C      -4.017877     -4.333732      3.028332
  C      -3.521331     -4.834209      4.235960
  C      -3.215844     -3.942558      5.265194
  Br     -2.568824     -4.609029      6.928227
  C      -3.381110     -2.569611      5.105069
  C      -4.633608      5.097423      4.598088
  N      -5.116574      6.237265      4.975580
  C      -6.218441      6.690750      4.215991
  O      -6.337221      6.464912      3.010482
  C      -7.222884      7.477653      4.985346
  C      -8.368430      7.945247      4.322256
  C      -9.337694      8.656452      5.023947
  C      -9.182652      8.908222      6.389862
  C      -8.040553      8.435665      7.036154
  Br     -7.822922      8.770038      8.902708
  C      -7.057121      7.725276      6.356251
  C      -6.121436      2.175525      5.921538
  N      -7.081932      2.548382      6.711201
  C      -8.300421      2.843070      6.058954
  O      -8.669184      2.295861      5.020954
  C      -9.095350      3.908075      6.735484
  C      -8.801964      4.344882      8.036407
  C      -9.564087      5.355216      8.620760
  C     -10.608054      5.953659      7.913231
  C     -10.885843      5.513554      6.616345
  Br    -12.305660      6.332883      5.642098
  C     -10.152184      4.494696      6.020833
  H      -1.402555     -0.666464      4.664549
  H      -4.605407     -2.568841      1.918133
  H      -4.262271     -5.027634      2.223200
  H      -3.381549     -5.905782      4.377579
  H      -3.171076     -1.895901      5.934796
  H      -5.146001      4.527304      3.808095
  H      -8.481181      7.736629      3.258938
  H     -10.231571      9.016244      4.513651
  H      -9.941808      9.460542      6.943217
  H      -6.166322      7.367644      6.868832
  H      -6.268704      2.102367      4.828012
  H      -7.985187      3.876306      8.582964
  H      -9.343278      5.694804      9.633983
  H     -11.197842      6.753687      8.361774
  H     -10.373280      4.146375      5.013324
  N      -3.853177      2.511969      2.881248
  H      -2.983800      2.380791      2.353945
  H      -4.302175      3.346953      2.492827
  H      -4.448359      1.685342      2.674542
75
Coordinates from ORCA-job orca E -13784.704964260876
  N      -1.636376      1.428028      5.133408
  Mo     -3.421591      2.468335      5.085496
  N      -4.861388      1.914473      6.354499
  C      -4.599095      1.885356      7.797244
  C      -3.092916      1.926480      8.005898
  N      -2.504976      2.936420      7.076495
  C      -1.016987      2.835993      6.967816
  C      -0.600122      1.618055      6.146479
  C      -2.877777      4.335002      7.466981
  C      -2.840125      5.216424      6.235228
  N      -3.544407      4.492596      5.164412
  H       0.381933      1.809552      5.687804
  H      -0.512678      0.715699      6.769189
  H      -0.679177      3.748765      6.460951
  H      -0.563446      2.820414      7.971127
  H      -3.343007      6.173779      6.428582
  H      -1.812982      5.435490      5.907369
  H      -3.900499      4.314443      7.860678
  H      -2.206465      4.690171      8.264532
  H      -5.020512      0.967784      8.235710
  H      -5.117906      2.728625      8.279895
  H      -2.646173      0.953316      7.758895
  H      -2.834148      2.168437      9.049385
  C      -2.047150      0.222888      4.713506
  N      -3.325181      0.295078      4.377614
  C      -4.097450     -0.623483      3.670352
  O      -4.963509     -0.191356      2.902599
  C      -3.874444     -2.076334      3.885884
  C      -4.204749     -2.967738      2.853429
  C      -4.020462     -4.335710      3.035574
  C      -3.529142     -4.833134      4.246468
  C      -3.224692     -3.938559      5.273492
  Br     -2.584466     -4.600215      6.940746
  C      -3.386111     -2.565821      5.108192
  C      -4.626484      5.102462      4.597626
  N      -5.111970      6.240239      4.978188
  C      -6.212718      6.694309      4.217611
  O      -6.327580      6.473593      3.011638
  C      -7.223337      7.472270      4.987882
  C      -8.371208      7.933247      4.324676
  C      -9.345402      8.636701      5.026788
  C      -9.193372      8.886975      6.394035
  C      -8.048468      8.421695      7.040576
  Br     -7.834060      8.754431      8.909018
  C      -7.060315      7.718546      6.359918
  C      -6.120433      2.183771      5.914252
  N      -7.080832      2.554181      6.704622
  C      -8.298639      2.852775      6.051752
  O      -8.666878      2.309489      5.011177
  C      -9.093858      3.915517      6.731971
  C      -8.796418      4.352253      8.032083
  C      -9.557478      5.361715      8.618956
  C     -10.604674      5.958969      7.915162
  C     -10.886855      5.518434      6.619636
  Br    -12.310121      6.337507      5.649996
  C     -10.153557      4.501182      6.020858
  H      -1.402251     -0.665916      4.664083
  H      -4.599773     -2.573446      1.917288
  H      -4.264013     -5.031808      2.232034
  H      -3.392555     -5.904515      4.392315
  H      -3.176908     -1.889794      5.936334
  H      -5.135593      4.535099      3.803395
  H      -8.481407      7.725992      3.260343
  H     -10.241365      8.991123      4.516369
  H      -9.956942      9.432526      6.948124
  H      -6.167809      7.365576      6.872767
  H      -6.266639      2.115698      4.819761
  H      -7.976405      3.885406      8.575144
  H      -9.332253      5.702337      9.630075
  H     -11.192312      6.759349      8.364514
  H     -10.376544      4.153868      5.012332
  N      -3.852957      2.516047      2.878035
  H      -2.983829      2.387069      2.347639
  H      -4.303811      3.352640      2.493414
  H      -4.449400      1.689842      2.670236
75
Coordinates from ORCA-job orca E -13784.704982329276
  N      -1.634053      1.429160      5.130802
  Mo     -3.416458      2.473094      5.082807
  N      -4.857899      1.921501      6.351567
  C      -4.596842      1.889159      7.794237
  C      -3.090781      1.928872      8.003140
  N      -2.501622      2.939120      7.074368
  C      -1.013584      2.837134      6.965762
  C      -0.598107      1.618551      6.144507
  C      -2.872951      4.337813      7.465763
  C      -2.833101      5.220211      6.234270
  N      -3.534674      4.498033      5.161082
  H       0.384443      1.808511      5.686190
  H      -0.512000      0.716325      6.767734
  H      -0.675458      3.749370      6.458167
  H      -0.561008      2.822160      7.969470
  H      -3.336056      6.177617      6.427478
  H      -1.804881      5.439177      5.909597
  H      -3.896011      4.318115      7.858872
  H      -2.201440      4.691747      8.263737
  H      -5.018793      0.970969      8.230935
  H      -5.115512      2.731623      8.278169
  H      -2.645159      0.955510      7.755349
  H      -2.831882      2.169869      9.046718
  C      -2.047401      0.224155      4.712205
  N      -3.324765      0.297631      4.376209
  C      -4.095851     -0.620131      3.666278
  O      -4.959352     -0.187352      2.896770
  C      -3.878900     -2.073072      3.886750
  C      -4.210026     -2.966573      2.856404
  C      -4.031641     -4.334390      3.043615
  C      -3.545243     -4.829929      4.257221
  C      -3.239941     -3.933314      5.281873
  Br     -2.606401     -4.591521      6.952965
  C      -3.395657     -2.560554      5.111772
  C      -4.616189      5.107894      4.594636
  N      -5.103751      6.244052      4.977531
  C      -6.205010      6.697672      4.218620
  O      -6.319031      6.481273      3.012516
  C      -7.219364      7.468178      4.991168
  C      -8.371026      7.922926      4.330950
  C      -9.348686      8.618510      5.035835
  C      -9.196217      8.867570      6.403334
  C      -8.047222      8.409096      7.047116
  Br     -7.831496      8.739495      8.916168
  C      -7.055696      7.713342      6.363410
  C      -6.116841      2.191513      5.911227
  N      -7.079081      2.558445      6.700748
  C      -8.296164      2.856983      6.046209
  O      -8.661379      2.315723      5.004281
  C      -9.095452      3.915952      6.727168
  C      -8.799146      4.352291      8.027695
  C      -9.563487      5.358536      8.615329
  C     -10.612839      5.952819      7.912093
  C     -10.893291      5.512826      6.615963
  Br    -12.318874      6.328887      5.646961
  C     -10.156555      4.498984      6.016120
  H      -1.403092     -0.665193      4.664365
  H      -4.600847     -2.573560      1.918034
  H      -4.275919     -5.031909      2.241755
  H      -3.413169     -5.901232      4.407069
  H      -3.185894     -1.883141      5.938397
  H      -5.123770      4.542070      3.798768
  H      -8.481570      7.716653      3.266375
  H     -10.248004      8.967683      4.527834
  H      -9.962596      9.407044      6.959685
  H      -6.160375      7.364648      6.874045
  H      -6.259953      2.127300      4.816006
  H      -7.977389      3.888011      8.570385
  H      -9.339250      5.699059      9.626596
  H     -11.202924      6.750866      8.362107
  H     -10.377748      4.152320      5.006585
  N      -3.846939      2.518116      2.874207
  H      -2.978928      2.384725      2.342625
  H      -4.294450      3.356959      2.489868
  H      -4.446980      1.694634      2.665980
75
Coordinates from ORCA-job orca E -13784.704998297802
  N      -1.631848      1.428482      5.131818
  Mo     -3.409163      2.479470      5.081677
  N      -4.853549      1.930663      6.349651
  C      -4.594086      1.895400      7.792427
  C      -3.088009      1.932652      8.002447
  N      -2.496304      2.942296      7.074438
  C      -1.008195      2.836934      6.965866
  C      -0.595660      1.616866      6.145416
  C      -2.864895      4.341326      7.466904
  C      -2.822193      5.224935      6.236103
  N      -3.520691      4.504834      5.160220
  H       0.387244      1.803894      5.686672
  H      -0.511338      0.715094      6.769654
  H      -0.668864      3.747988      6.456960
  H      -0.556714      2.822530      7.970033
  H      -3.324902      6.182508      6.429231
  H      -1.792752      5.443498      5.915088
  H      -3.888260      4.323042      7.859330
  H      -2.192812      4.693561      8.265124
  H      -5.016860      0.976823      8.227533
  H      -5.112461      2.737520      8.277152
  H      -2.644152      0.958566      7.754664
  H      -2.829699      2.172955      9.046297
  C      -2.049287      0.224697      4.713695
  N      -3.325622      0.301572      4.376805
  C      -4.096063     -0.614158      3.662887
  O      -4.951467     -0.178887      2.885608
  C      -3.885913     -2.067386      3.886085
  C      -4.217869     -2.961370      2.856038
  C      -4.048188     -4.329629      3.046906
  C      -3.568966     -4.825376      4.263336
  C      -3.262152     -3.928068      5.287126
  Br     -2.638604     -4.585608      6.962323
  C      -3.409496     -2.554771      5.113770
  C      -4.600717      5.115131      4.591976
  N      -5.092372      6.249081      4.976717
  C      -6.191100      6.702229      4.214834
  O      -6.296571      6.494276      3.006171
  C      -7.214486      7.461545      4.986596
  C      -8.370219      7.904722      4.326143
  C      -9.355856      8.588865      5.030898
  C      -9.206716      8.839308      6.398560
  C      -8.052986      8.393472      7.042513
  Br     -7.839585      8.726537      8.911380
  C      -7.054066      7.708037      6.359106
  C      -6.111618      2.202435      5.908290
  N      -7.075573      2.565870      6.697130
  C      -8.291221      2.866780      6.041073
  O      -8.651569      2.333512      4.993222
  C      -9.095755      3.918211      6.727873
  C      -8.799296      4.350727      8.029857
  C      -9.567598      5.350834      8.622681
  C     -10.621393      5.942306      7.923532
  C     -10.902148      5.505501      6.626509
  Br    -12.334416      6.317899      5.664051
  C     -10.161154      4.498244      6.021197
  H      -1.407201     -0.666486      4.666912
  H      -4.603273     -2.568112      1.915556
  H      -4.293912     -5.027514      2.245586
  H      -3.443679     -5.897119      4.416113
  H      -3.198786     -1.877048      5.940049
  H      -5.104689      4.551687      3.792162
  H      -8.478073      7.697635      3.261449
  H     -10.258991      8.928095      4.522982
  H      -9.979238      9.370309      6.954759
  H      -6.155306      7.368414      6.869779
  H      -6.251670      2.143258      4.812576
  H      -7.974006      3.888962      8.569310
  H      -9.343340      5.688794      9.634986
  H     -11.214578      6.735612      8.377657
  H     -10.382453      4.153941      5.011200
  N      -3.835257      2.523645      2.870985
  H      -2.968343      2.383924      2.339102
  H      -4.276485      3.366066      2.487024
  H      -4.440114      1.704170      2.660771
75
Coordinates from ORCA-job orca E -13784.705011380123
  N      -1.629057      1.428978      5.131003
  Mo     -3.401956      2.485936      5.078068
  N      -4.849517      1.938386      6.343866
  C      -4.591880      1.899448      7.786841
  C      -3.086019      1.935001      7.998905
  N      -2.491837      2.944967      7.072830
  C      -1.003562      2.836959      6.965157
  C      -0.592734      1.616445      6.144563
  C      -2.858484      4.343910      7.466894
  C      -2.812327      5.229302      6.237542
  N      -3.507825      4.511346      5.158809
  H       0.390181      1.802206      5.685284
  H      -0.509001      0.714559      6.768713
  H      -0.662783      3.747692      6.456646
  H      -0.553287      2.821596      7.969817
  H      -3.315117      6.186765      6.430924
  H      -1.781778      5.447931      5.920129
  H      -3.882446      4.326430      7.857827
  H      -2.186592      4.694172      8.266203
  H      -5.015500      0.980168      8.219659
  H      -5.110232      2.741012      8.272706
  H      -2.643203      0.960582      7.750460
  H      -2.828904      2.173820      9.043405
  C      -2.049609      0.226542      4.712510
  N      -3.325353      0.306368      4.375500
  C      -4.095980     -0.607738      3.658897
  O      -4.946037     -0.170810      2.877129
  C      -3.893618     -2.061168      3.887588
  C      -4.226152     -2.957149      2.859358
  C      -4.064265     -4.325452      3.055692
  C      -3.592327     -4.819418      4.275676
  C      -3.284958     -3.920041      5.297431
  Br     -2.671751     -4.574616      6.977626
  C      -3.424430     -2.546629      5.118770
  C      -4.586578      5.122653      4.589238
  N      -5.080792      6.254776      4.976246
  C      -6.177198      6.709060      4.212260
  O      -6.276538      6.508019      3.001966
  C      -7.207148      7.459657      4.983572
  C      -8.366115      7.893578      4.322680
  C      -9.358053      8.568354      5.027353
  C      -9.211523      8.819701      6.395138
  C      -8.054228      8.383689      7.039491
  Br     -7.842697      8.718842      8.908281
  C      -7.049323      7.706976      6.356389
  C      -6.106705      2.211599      5.901471
  N      -7.072680      2.570314      6.690159
  C      -8.287454      2.872670      6.033639
  O      -8.643290      2.347314      4.980483
  C      -9.097732      3.915063      6.727581
  C      -8.801850      4.342287      8.031571
  C      -9.574706      5.335109      8.630758
  C     -10.633168      5.923943      7.936323
  C     -10.913331      5.492157      6.637373
  Br    -12.351195      6.302196      5.680899
  C     -10.167411      4.492630      6.025486
  H      -1.409339     -0.665949      4.666464
  H      -4.605846     -2.565131      1.916078
  H      -4.310426     -5.024829      2.255857
  H      -3.473149     -5.891183      4.432729
  H      -3.213279     -1.867284      5.943537
  H      -5.087871      4.562185      3.785802
  H      -8.471780      7.686291      3.257777
  H     -10.264097      8.899662      4.519302
  H      -9.988810      9.343854      6.951005
  H      -6.147895      7.374750      6.867228
  H      -6.244239      2.158422      4.805060
  H      -7.973102      3.882632      8.567489
  H      -9.350726      5.669558      9.644415
  H     -11.230138      6.711422      8.395687
  H     -10.387600      4.152468      5.013788
  N      -3.823273      2.529867      2.865884
  H      -2.956540      2.387788      2.334854
  H      -4.261341      3.373188      2.481060
  H      -4.428093      1.710810      2.653745
75
Coordinates from ORCA-job orca E -13784.705023421810
  N      -1.625518      1.428567      5.131533
  Mo     -3.393807      2.491820      5.075985
  N      -4.845263      1.948855      6.339493
  C      -4.589361      1.907017      7.782661
  C      -3.083600      1.939399      7.996811
  N      -2.486277      2.948165      7.071779
  C      -0.998136      2.836430      6.965468
  C      -0.589548      1.614478      6.145751
  C      -2.850468      4.347685      7.466095
  C      -2.800485      5.234064      6.237497
  N      -3.493100      4.517207      5.156277
  H       0.393753      1.798424      5.686462
  H      -0.507345      0.712502      6.769953
  H      -0.654688      3.746306      6.457232
  H      -0.548760      2.819875      7.970544
  H      -3.303618      6.191488      6.430326
  H      -1.769003      5.452671      5.923175
  H      -3.875042      4.331889      7.855343
  H      -2.178900      4.696035      8.266488
  H      -5.015319      0.988055      8.213764
  H      -5.106493      2.749100      8.268983
  H      -2.642800      0.963958      7.748690
  H      -2.827346      2.177372      9.041725
  C      -2.049999      0.227429      4.712595
  N      -3.325127      0.311692      4.375367
  C      -4.097579     -0.599459      3.656312
  O      -4.941038     -0.159146      2.869240
  C      -3.903399     -2.053447      3.888817
  C      -4.236463     -2.950143      2.861336
  C      -4.081877     -4.318824      3.061263
  C      -3.617086     -4.812284      4.284237
  C      -3.309290     -3.912012      5.305180
  Br     -2.706215     -4.565852      6.989385
  C      -3.441146     -2.538338      5.122889
  C      -4.570675      5.128710      4.584240
  N      -5.067999      6.259094      4.972399
  C      -6.163070      6.712958      4.206255
  O      -6.255856      6.518454      2.994028
  C      -7.200247      7.453661      4.977488
  C      -8.362121      7.878362      4.315466
  C      -9.361239      8.542503      5.020066
  C      -9.218791      8.792800      6.388399
  C      -8.058334      8.366450      7.033592
  Br     -7.851106      8.702068      8.902697
  C      -7.046489      7.699984      6.351000
  C      -6.101618      2.223116      5.896588
  N      -7.069600      2.577695      6.685016
  C      -8.283200      2.882801      6.028057
  O      -8.634341      2.367269      4.968378
  C      -9.098803      3.915747      6.729761
  C      -8.804900      4.335618      8.036479
  C      -9.583177      5.319818      8.643098
  C     -10.645960      5.906748      7.953647
  C     -10.924303      5.482231      6.651831
  Br    -12.368395      6.289568      5.702270
  C     -10.172344      4.491954      6.032260
  H      -1.412510     -0.667204      4.667575
  H      -4.610726     -2.558411      1.915733
  H      -4.328211     -5.018900      2.262040
  H      -3.503733     -5.884275      4.444065
  H      -3.229382     -1.857968      5.946710
  H      -5.069183      4.569725      3.777968
  H      -8.464477      7.672311      3.250033
  H     -10.269699      8.866152      4.511339
  H     -10.001745      9.308422      6.943948
  H      -6.142689      7.375267      6.862491
  H      -6.237485      2.176300      4.799996
  H      -7.973322      3.877079      8.568936
  H      -9.360497      5.648957      9.658867
  H     -11.247704      6.687132      8.419360
  H     -10.390637      4.157597      5.018396
  N      -3.807319      2.536591      2.862222
  H      -2.939894      2.389375      2.333837
  H      -4.239713      3.381041      2.474018
  H      -4.413761      1.718827      2.649345
75
Coordinates from ORCA-job orca E -13784.705036792011
  N      -1.620870      1.428474      5.131032
  Mo     -3.384232      2.498917      5.071435
  N      -4.840474      1.961260      6.331827
  C      -4.586557      1.916497      7.775321
  C      -3.080889      1.945355      7.992180
  N      -2.479585      2.952580      7.068427
  C      -0.991710      2.836570      6.964123
  C      -0.585264      1.612893      6.145768
  C      -2.840959      4.352919      7.462515
  C      -2.785852      5.239990      6.234814
  N      -3.475814      4.524353      5.150911
  H       0.398541      1.794987      5.686730
  H      -0.504738      0.711020      6.770257
  H      -0.644649      3.745450      6.456579
  H      -0.542979      2.818223      7.969523
  H      -3.288942      6.197636      6.426759
  H      -1.753325      5.458006      5.923601
  H      -3.866404      4.339438      7.849421
  H      -2.170308      4.698902      8.264701
  H      -5.015385      0.997891      8.204260
  H      -5.102260      2.759065      8.262387
  H      -2.642181      0.968797      7.744606
  H      -2.825755      2.182364      9.037582
  C      -2.049779      0.228645      4.712530
  N      -3.324741      0.318148      4.375338
  C      -4.100776     -0.589976      3.655722
  O      -4.938353     -0.146307      2.864538
  C      -3.916097     -2.044279      3.893794
  C      -4.252003     -2.942680      2.868814
  C      -4.105251     -4.311643      3.073713
  C      -3.646165     -4.803208      4.299613
  C      -3.335837     -3.901031      5.318227
  Br     -2.741014     -4.552653      7.006205
  C      -3.459369     -2.527309      5.130706
  C      -4.552437      5.136723      4.576912
  N      -5.052325      6.265075      4.967323
  C      -6.147256      6.719139      4.200598
  O      -6.235366      6.531749      2.986882
  C      -7.190664      7.448583      4.973899
  C      -8.355889      7.864961      4.312005
  C      -9.362313      8.516074      5.018552
  C      -9.223809      8.761541      6.388175
  C      -8.059748      8.344062      7.032804
  Br     -7.857492      8.675372      8.903431
  C      -7.040691      7.690498      6.348593
  C      -6.095404      2.236419      5.887505
  N      -7.065755      2.586037      6.675644
  C      -8.277742      2.894226      6.017452
  O      -8.622534      2.390423      4.949949
  C      -9.100868      3.914752      6.728344
  C      -8.812231      4.323820      8.039525
  C      -9.597918      5.296981      8.654405
  C     -10.663814      5.883012      7.969105
  C     -10.937520      5.469072      6.662858
  Br    -12.386074      6.275105      5.718898
  C     -10.177638      4.490365      6.034864
  H      -1.415478     -0.668272      4.668455
  H      -4.622032     -2.552302      1.920956
  H      -4.353339     -5.013352      2.276411
  H      -3.539253     -5.875333      4.463332
  H      -3.245432     -1.844883      5.952267
  H      -5.047820      4.579947      3.767160
  H      -8.455203      7.662783      3.245608
  H     -10.273494      8.832615      4.510164
  H     -10.012870      9.266030      6.945190
  H      -6.134355      7.372487      6.859872
  H      -6.229760      2.196732      4.790472
  H      -7.978489      3.865712      8.568981
  H      -9.378795      5.618203      9.673575
  H     -11.271622      6.654553      8.441657
  H     -10.391822      4.164556      5.017575
  N      -3.788682      2.544531      2.856508
  H      -2.920079      2.389468      2.332546
  H      -4.212809      3.390270      2.462640
  H      -4.398801      1.729580      2.643501
75
Coordinates from ORCA-job orca E -13784.705049888555
  N      -1.615092      1.428897      5.129338
  Mo     -3.373823      2.506500      5.066334
  N      -4.835063      1.976530      6.323895
  C      -4.583106      1.928020      7.767633
  C      -3.077551      1.952102      7.986628
  N      -2.471698      2.957706      7.064297
  C      -0.984456      2.837091      6.962201
  C      -0.580070      1.611699      6.144991
  C      -2.829913      4.359057      7.457800
  C      -2.768924      5.246524      6.230699
  N      -3.456647      4.532135      5.144161
  H       0.404506      1.792110      5.686877
  H      -0.501709      0.709847      6.769764
  H      -0.633305      3.744800      6.455420
  H      -0.536174      2.816852      7.967865
  H      -3.271405      6.204756      6.421373
  H      -1.735303      5.463103      5.922331
  H      -3.856442      4.348507      7.841765
  H      -2.160871      4.702297      8.262406
  H      -5.015781      1.010090      8.194059
  H      -5.096616      2.771290      8.255795
  H      -2.641431      0.974317      7.739274
  H      -2.823162      2.187696      9.032544
  C      -2.049252      0.229890      4.713078
  N      -3.323859      0.324990      4.375473
  C      -4.104004     -0.580057      3.656178
  O      -4.936202     -0.132878      2.861406
  C      -3.929703     -2.034728      3.899938
  C      -4.269978     -2.934704      2.877907
  C      -4.131413     -4.303958      3.087776
  C      -3.676876     -4.793640      4.316161
  C      -3.362556     -3.889717      5.332099
  Br     -2.773975     -4.539171      7.023049
  C      -3.477489     -2.516007      5.139314
  C      -4.532487      5.145354      4.568694
  N      -5.035258      6.271302      4.961662
  C      -6.130553      6.725235      4.194686
  O      -6.213447      6.546312      2.979456
  C      -7.181028      7.441378      4.970955
  C      -8.348601      7.851517      4.308857
  C      -9.362508      8.488674      5.017517
  C      -9.229264      8.725882      6.389167
  C      -8.062792      8.314839      7.033771
  Br     -7.867421      8.637693      8.906631
  C      -7.036381      7.675190      6.347629
  C      -6.089122      2.252131      5.878529
  N      -7.061883      2.595894      6.666605
  C      -8.272033      2.907516      6.006901
  O      -8.610195      2.415828      4.931572
  C      -9.103072      3.915431      6.726237
  C      -8.821493      4.311890      8.042575
  C      -9.615873      5.272623      8.665935
  C     -10.684214      5.858235      7.984325
  C     -10.951053      5.457162      6.672602
  Br    -12.402553      6.263117      5.733154
  C     -10.181853      4.491531      6.035781
  H      -1.418886     -0.669910      4.670082
  H      -4.636470     -2.545659      1.928053
  H      -4.382299     -5.007200      2.292697
  H      -3.576497     -5.865828      4.483684
  H      -3.260264     -1.831472      5.958273
  H      -5.024563      4.590378      3.755657
  H      -8.443601      7.656039      3.240756
  H     -10.275362      8.800120      4.508867
  H     -10.024288      9.218888      6.947656
  H      -6.128258      7.362438      6.859090
  H      -6.222037      2.219834      4.781371
  H      -7.986109      3.853653      8.569375
  H      -9.401736      5.584136      9.689078
  H     -11.299235      6.619731      8.463898
  H     -10.390271      4.176215      5.013887
  N      -3.770498      2.551740      2.851010
  H      -2.900410      2.388469      2.331791
  H      -4.187048      3.398327      2.450840
  H      -4.385340      1.740028      2.639419
75
Coordinates from ORCA-job orca E -13784.705064627340
  N      -1.608421      1.429563      5.126609
  Mo     -3.362217      2.515437      5.059715
  N      -4.828835      1.994822      6.315008
  C      -4.578958      1.942716      7.758989
  C      -3.073512      1.961019      7.979896
  N      -2.462253      2.964318      7.058550
  C      -0.975721      2.838067      6.958877
  C      -0.573995      1.610427      6.143164
  C      -2.816462      4.367104      7.450722
  C      -2.748707      5.254136      6.223686
  N      -3.434843      4.541661      5.134506
  H       0.411752      1.787994      5.686499
  H      -0.498914      0.709047      6.769002
  H      -0.619922      3.744048      6.452280
  H      -0.528125      2.816458      7.964867
  H      -3.249230      6.213725      6.412636
  H      -1.713583      5.467693      5.918261
  H      -3.844176      4.360389      7.831635
  H      -2.149094      4.707542      8.257881
  H      -5.015806      1.025587      8.182864
  H      -5.089996      2.786679      8.248459
  H      -2.640539      0.981742      7.733051
  H      -2.819529      2.195430      9.026154
  C      -2.048768      0.231446      4.714159
  N      -3.322935      0.332799      4.375788
  C      -4.108577     -0.569312      3.658718
  O      -4.936454     -0.118827      2.861529
  C      -3.945496     -2.024068      3.908815
  C      -4.293414     -2.926103      2.891291
  C      -4.164201     -4.295487      3.107137
  C      -3.711789     -4.782683      4.337286
  C      -3.390029     -3.876529      5.348966
  Br     -2.804226     -4.522788      7.042001
  C      -3.495493     -2.502968      5.149990
  C      -4.509944      5.156457      4.558519
  N      -5.015378      6.279648      4.955175
  C      -6.111372      6.733975      4.188811
  O      -6.189374      6.565466      2.972084
  C      -7.169006      7.434610      4.969368
  C      -8.339018      7.839806      4.308401
  C      -9.360973      8.459892      5.020908
  C      -9.233307      8.684696      6.395233
  C      -8.064041      8.279450      7.038462
  Br     -7.876199      8.588039      8.914584
  C      -7.029813      7.656522      6.348408
  C      -6.081788      2.270365      5.867960
  N      -7.057369      2.607352      6.655801
  C      -8.265629      2.921578      5.993463
  O      -8.595440      2.442686      4.909696
  C      -9.106999      3.914565      6.721428
  C      -8.835828      4.294934      8.044580
  C      -9.640761      5.241167      8.676393
  C     -10.709531      5.828109      7.996818
  C     -10.966158      5.443226      6.678243
  Br    -12.418068      6.251457      5.741526
  C     -10.186265      4.492293      6.032800
  H      -1.422887     -0.671494      4.672498
  H      -4.658128     -2.538919      1.939998
  H      -4.420770     -5.000663      2.315586
  H      -3.618773     -5.854864      4.509416
  H      -3.272730     -1.816004      5.965400
  H      -4.998034      4.603985      3.741401
  H      -8.429646      7.653750      3.238292
  H     -10.275827      8.766773      4.513128
  H     -10.034888      9.163724      6.956817
  H      -6.119851      7.347977      6.859189
  H      -6.212712      2.244667      4.770310
  H      -7.999808      3.835724      8.569553
  H      -9.434423      5.539891      9.704858
  H     -11.332859      6.578280      8.483068
  H     -10.386937      4.189812      5.005528
  N      -3.751155      2.559602      2.844200
  H      -2.879697      2.386299      2.330620
  H      -4.158688      3.407484      2.437412
  H      -4.373060      1.753205      2.633624
75
Coordinates from ORCA-job orca E -13784.705079246041
  N      -1.600781      1.431094      5.122198
  Mo     -3.349802      2.525377      5.051722
  N      -4.821732      2.016120      6.305745
  C      -4.573929      1.960111      7.749862
  C      -3.068646      1.971274      7.972098
  N      -2.451296      2.971904      7.051637
  C      -0.965512      2.839448      6.954394
  C      -0.566900      1.609726      6.139757
  C      -2.800667      4.376355      7.442151
  C      -2.725885      5.262405      6.214754
  N      -3.411325      4.552344      5.123431
  H       0.420104      1.783956      5.684636
  H      -0.495612      0.708804      6.766748
  H      -0.605106      3.743518      6.447641
  H      -0.519114      2.816911      7.960927
  H      -3.223149      6.224037      6.401837
  H      -1.689053      5.471458      5.912090
  H      -3.829535      4.374128      7.820014
  H      -2.134811      4.714028      8.251615
  H      -5.015438      1.044141      8.171423
  H      -5.081931      2.805139      8.240540
  H      -2.639592      0.990241      7.725552
  H      -2.814690      2.204352      9.018671
  C      -2.048093      0.233669      4.715261
  N      -3.321523      0.341184      4.375873
  C      -4.113260     -0.558495      3.662658
  O      -4.937617     -0.105364      2.863350
  C      -3.961621     -2.013168      3.919493
  C      -4.319011     -2.917414      2.907281
  C      -4.200230     -4.286716      3.129841
  C      -3.748776     -4.771361      4.361365
  C      -3.417519     -3.862838      5.367833
  Br     -2.832671     -4.505308      7.062599
  C      -3.512767     -2.489514      5.162134
  C      -4.486026      5.168908      4.548289
  N      -4.994298      6.288879      4.949759
  C      -6.090903      6.744240      4.184678
  O      -6.163236      6.588983      2.966202
  C      -7.156603      7.427143      4.970106
  C      -8.327859      7.830370      4.310350
  C      -9.357490      8.432657      5.026869
  C      -9.236218      8.641573      6.404330
  C      -8.065531      8.238849      7.046577
  Br     -7.885396      8.528456      8.926333
  C      -7.023941      7.633131      6.352258
  C      -6.074209      2.290615      5.857018
  N      -7.052738      2.619939      6.644464
  C      -8.259375      2.935304      5.979179
  O      -8.580182      2.468571      4.887474
  C      -9.111951      3.913181      6.714340
  C      -8.853193      4.275587      8.044923
  C      -9.670221      5.205842      8.684835
  C     -10.738506      5.794741      8.006331
  C     -10.982072      5.428392      6.680038
  Br    -12.432540      6.240556      5.744539
  C     -10.190044      4.493524      6.026190
  H      -1.427469     -0.673004      4.675201
  H      -4.682658     -2.532198      1.954783
  H      -4.464266     -4.993812      2.342495
  H      -3.663699     -5.843410      4.538635
  H      -3.283136     -1.800170      5.973599
  H      -4.970526      4.619162      3.727293
  H      -8.413144      7.656871      3.237579
  H     -10.273269      8.737755      4.519680
  H     -10.043531      9.107192      6.968822
  H      -6.112958      7.326614      6.862445
  H      -6.202678      2.270202      4.759119
  H      -8.017345      3.814844      8.568867
  H      -9.473903      5.489593      9.719405
  H     -11.371665      6.532260      8.499116
  H     -10.381058      4.205551      4.992806
  N      -3.734438      2.565970      2.836646
  H      -2.861994      2.383767      2.327690
  H      -4.135277      3.414460      2.424076
  H      -4.362564      1.763970      2.628083
75
Coordinates from ORCA-job orca E -13784.705093133873
  N      -1.592916      1.432671      5.117376
  Mo     -3.336571      2.536460      5.043183
  N      -4.813803      2.039933      6.296728
  C      -4.568285      1.980438      7.740992
  C      -3.063219      1.983318      7.964457
  N      -2.439066      2.980238      7.044162
  C      -0.953852      2.840272      6.949407
  C      -0.559630      1.607954      6.136179
  C      -2.782380      4.386800      7.432438
  C      -2.700588      5.271154      6.204051
  N      -3.386296      4.564151      5.111040
  H       0.428882      1.777192      5.682609
  H      -0.493435      0.707630      6.764610
  H      -0.588624      3.741896      6.441745
  H      -0.509441      2.817479      7.956741
  H      -3.193232      6.235483      6.389235
  H      -1.661768      5.474331      5.904033
  H      -3.812144      4.389824      7.807993
  H      -2.116944      4.722109      8.243263
  H      -5.014742      1.066025      8.160791
  H      -5.072810      2.827065      8.232473
  H      -2.639141      0.999984      7.718585
  H      -2.808887      2.215488      9.011140
  C      -2.047809      0.236507      4.715610
  N      -3.320042      0.350692      4.374681
  C      -4.118629     -0.546631      3.666349
  O      -4.940021     -0.091245      2.865197
  C      -3.978949     -2.001043      3.930886
  C      -4.347192     -2.907994      2.925017
  C      -4.240176     -4.276830      3.155595
  C      -3.789292     -4.758421      4.388493
  C      -3.446976     -3.847059      5.388527
  Br     -2.862456     -4.484479      7.085264
  C      -3.530967     -2.474205      5.175018
  C      -4.460514      5.182885      4.537103
  N      -4.971301      6.299616      4.943926
  C      -6.067830      6.756915      4.180267
  O      -6.134003      6.616907      2.959792
  C      -7.142103      7.420481      4.970546
  C      -8.314827      7.822173      4.312962
  C      -9.352810      8.403893      5.034525
  C      -9.238170      8.594441      6.415190
  C      -8.065435      8.194683      7.055351
  Br     -7.892730      8.461477      8.938996
  C      -7.015881      7.608466      6.355733
  C      -6.065751      2.312880      5.846021
  N      -7.047576      2.634405      6.632738
  C      -8.253079      2.948970      5.963986
  O      -8.563886      2.493970      4.864416
  C      -9.118749      3.909724      6.706715
  C      -8.874249      4.252003      8.045429
  C      -9.704458      5.164959      8.693094
  C     -10.771125      5.756937      8.014694
  C     -10.999809      5.410951      6.680463
  Br    -12.447385      6.228669      5.745215
  C     -10.195000      4.492983      6.018679
  H      -1.433085     -0.674255      4.677847
  H      -4.709946     -2.525160      1.971289
  H      -4.513082     -4.986059      2.373302
  H      -3.713005     -5.830059      4.571918
  H      -3.293376     -1.782346      5.981974
  H      -4.941496      4.636568      3.711775
  H      -8.394853      7.662707      3.237681
  H     -10.270093      8.706993      4.528998
  H     -10.051960      9.044432      6.983608
  H      -6.103650      7.303510      6.864584
  H      -6.191329      2.295932      4.747505
  H      -8.038984      3.789549      8.568701
  H      -9.519683      5.432100      9.734021
  H     -11.414465      6.481257      8.513308
  H     -10.375138      4.220791      4.979044
  N      -3.716986      2.573316      2.828181
  H      -2.844120      2.382562      2.323287
  H      -4.110955      3.423079      2.411579
  H      -4.351320      1.776114      2.620243
75
Coordinates from ORCA-job orca E -13784.705105666053
  N      -1.585316      1.434865      5.112129
  Mo     -3.324306      2.546996      5.033650
  N      -4.806219      2.062565      6.286974
  C      -4.562831      2.000500      7.731372
  C      -3.057968      1.995630      7.956265
  N      -2.427389      2.988523      7.035848
  C      -0.942393      2.841629      6.943628
  C      -0.552489      1.606937      6.132006
  C      -2.764765      4.397180      7.421625
  C      -2.676991      5.279377      6.191994
  N      -3.363720      4.575095      5.098228
  H       0.437236      1.771111      5.679317
  H      -0.490898      0.707153      6.761722
  H      -0.573045      3.741018      6.434938
  H      -0.500438      2.818958      7.951982
  H      -3.164799      6.246470      6.375543
  H      -1.636415      5.476621      5.894079
  H      -3.795073      4.405290      7.795649
  H      -2.098852      4.731013      8.232668
  H      -5.013757      1.087778      8.150112
  H      -5.064074      2.848952      8.223021
  H      -2.638896      1.009926      7.711335
  H      -2.803410      2.227272      9.003011
  C      -2.046800      0.239816      4.715035
  N      -3.317884      0.359461      4.372596
  C      -4.122877     -0.536411      3.669978
  O      -4.941382     -0.080067      2.866275
  C      -3.993850     -1.990203      3.942968
  C      -4.372509     -2.900375      2.943828
  C      -4.277298     -4.268413      3.183233
  C      -3.827286     -4.746375      4.417879
  C      -3.474083     -3.831646      5.410908
  Br     -2.890457     -4.462935      7.110311
  C      -3.546833     -2.459457      5.188861
  C      -4.438270      5.195648      4.526868
  N      -4.950884      6.309194      4.939884
  C      -6.048126      6.769381      4.179789
  O      -6.110238      6.645194      2.957455
  C      -7.129073      7.414789      4.975984
  C      -8.302892      7.817888      4.321668
  C      -9.346485      8.381593      5.048905
  C      -9.236283      8.553379      6.432356
  C      -8.062211      8.153021      7.069606
  Br     -7.893305      8.395904      8.956652
  C      -7.007297      7.583866      6.364088
  C      -6.057875      2.333176      5.834219
  N      -7.042680      2.647946      6.619774
  C      -8.247685      2.959512      5.947811
  O      -8.549063      2.513833      4.841870
  C      -9.125450      3.905066      6.695588
  C      -8.895241      4.229010      8.041412
  C      -9.738585      5.125571      8.694953
  C     -10.803380      5.720065      8.015639
  C     -11.016512      5.393203      6.674080
  Br    -12.460760      6.215716      5.737645
  C     -10.199088      4.490931      6.006243
  H      -1.437633     -0.674821      4.680302
  H      -4.734362     -2.520337      1.988678
  H      -4.559053     -4.980058      2.406304
  H      -3.760010     -5.817441      4.608237
  H      -3.301448     -1.764925      5.991138
  H      -4.917617      4.652849      3.698382
  H      -8.379090      7.673423      3.243915
  H     -10.264758      8.685771      4.545811
  H     -10.054105      8.990299      7.004834
  H      -6.094090      7.278016      6.870596
  H      -6.180671      2.317522      4.735373
  H      -8.061321      3.764889      8.565351
  H      -9.566176      5.376950      9.742006
  H     -11.457498      6.431431      8.519244
  H     -10.368026      4.232976      4.961256
  N      -3.703865      2.578190      2.818646
  H      -2.831214      2.381796      2.315567
  H      -4.093749      3.428684      2.399699
  H      -4.341465      1.783251      2.611753
75
Coordinates from ORCA-job orca E -13784.705114949486
  N      -1.580098      1.436365      5.108604
  Mo     -3.315265      2.555038      5.026922
  N      -4.800361      2.079488      6.279799
  C      -4.558877      2.015748      7.724381
  C      -3.054237      2.004872      7.950670
  N      -2.418666      2.994306      7.030011
  C      -0.933750      2.841653      6.939897
  C      -0.547727      1.605035      6.129631
  C      -2.751040      4.404680      7.413853
  C      -2.659232      5.285153      6.183038
  N      -3.347605      4.582878      5.089249
  H       0.442897      1.764932      5.677386
  H      -0.490028      0.705303      6.759770
  H      -0.561040      3.739290      6.430598
  H      -0.494028      2.818746      7.949132
  H      -3.143074      6.254383      6.365634
  H      -1.617513      5.477787      5.886016
  H      -3.781456      4.416858      7.787479
  H      -2.083775      4.737750      8.224207
  H      -5.013512      1.104649      8.142635
  H      -5.057302      2.866148      8.215666
  H      -2.639416      1.017110      7.706561
  H      -2.799585      2.236134      8.997490
  C      -2.046221      0.242580      4.712968
  N      -3.316018      0.366448      4.368659
  C      -4.125358     -0.528476      3.669941
  O      -4.941322     -0.071955      2.863575
  C      -4.004607     -1.981680      3.950770
  C      -4.389791     -2.894938      2.956915
  C      -4.303786     -4.262014      3.204077
  C      -3.856221     -4.736281      4.441047
  C      -3.496218     -3.818384      5.428529
  Br     -2.915604     -4.443655      7.131244
  C      -3.560067     -2.447036      5.198924
  C      -4.422386      5.204730      4.519271
  N      -4.935745      6.316388      4.936321
  C      -6.032948      6.779422      4.178717
  O      -6.092110      6.666992      2.954962
  C      -7.118594      7.411688      4.979082
  C      -8.293825      7.815184      4.327650
  C      -9.341814      8.364625      5.059649
  C      -9.234555      8.522373      6.444921
  C      -8.058725      8.122553      7.079187
  Br     -7.892264      8.346746      8.968672
  C      -6.999452      7.567099      6.368959
  C      -6.051840      2.348262      5.825538
  N      -7.038772      2.658898      6.610264
  C      -8.243786      2.967066      5.936154
  O      -8.538476      2.527436      4.825890
  C      -9.130918      3.900465      6.688409
  C      -8.911217      4.211045      8.039196
  C      -9.764091      5.095622      8.696755
  C     -10.827578      5.691876      8.016762
  C     -11.029755      5.378582      6.670475
  Br    -12.471299      6.204821      5.732874
  C     -10.203288      4.487601      5.998519
  H      -1.441529     -0.675151      4.681402
  H      -4.749621     -2.517617      1.999939
  H      -4.590973     -4.975862      2.431261
  H      -3.796031     -5.806540      4.637528
  H      -3.309565     -1.750069      5.997444
  H      -4.901343      4.664720      3.688575
  H      -8.367806      7.681532      3.248471
  H     -10.261463      8.668798      4.559059
  H     -10.055921      8.948215      7.020981
  H      -6.085028      7.260973      6.873152
  H      -6.173079      2.332275      4.726392
  H      -8.077914      3.746266      8.563420
  H      -9.600214      5.336322      9.747531
  H     -11.488946      6.394171      8.523387
  H     -10.363824      4.239974      4.949709
  N      -3.693716      2.582777      2.811345
  H      -2.821696      2.383731      2.308279
  H      -4.080736      3.434657      2.392864
  H      -4.332857      1.789042      2.604309
75
Coordinates from ORCA-job orca E -13784.705120777468
  N      -1.577292      1.437549      5.106691
  Mo     -3.310899      2.558982      5.022226
  N      -4.797548      2.087097      6.274016
  C      -4.557180      2.023178      7.718783
  C      -3.052600      2.009958      7.946563
  N      -2.414557      2.997409      7.025826
  C      -0.929469      2.842146      6.937387
  C      -0.545165      1.604532      6.128206
  C      -2.744635      4.408694      7.408350
  C      -2.651139      5.287911      6.176771
  N      -3.340840      4.586295      5.083428
  H       0.445804      1.762331      5.675893
  H      -0.489075      0.704779      6.758443
  H      -0.554898      3.739080      6.428237
  H      -0.491219      2.818742      7.947241
  H      -3.132979      6.258235      6.358962
  H      -1.609033      5.478343      5.879757
  H      -3.774934      4.422937      7.782183
  H      -2.076247      4.742006      8.217744
  H      -5.013536      1.112882      8.136853
  H      -5.054429      2.874559      8.209581
  H      -2.639728      1.021141      7.703276
  H      -2.798441      2.241204      8.993485
  C      -2.044784      0.244263      4.710853
  N      -3.313971      0.369621      4.365040
  C      -4.125085     -0.525537      3.668694
  O      -4.938804     -0.069849      2.859559
  C      -4.008681     -1.978024      3.955470
  C      -4.396827     -2.894031      2.965229
  C      -4.316134     -4.260356      3.218040
  C      -3.870863     -4.731185      4.457202
  C      -3.507620     -3.810478      5.440886
  Br     -2.929996     -4.430669      7.146560
  C      -3.566190     -2.439842      5.205629
  C      -4.416586      5.208516      4.515357
  N      -4.929549      6.319243      4.935246
  C      -6.027982      6.784473      4.181167
  O      -6.088118      6.678034      2.956815
  C      -7.113910      7.411096      4.985559
  C      -8.290229      7.816441      4.336981
  C      -9.338420      8.360146      5.072759
  C      -9.230480      8.510194      6.458829
  C      -8.053640      8.108496      7.090150
  Br     -7.885684      8.321913      8.980787
  C      -6.993995      7.558920      6.376260
  C      -6.048800      2.354383      5.818713
  N      -7.036610      2.663880      6.602812
  C      -8.242008      2.968879      5.927672
  O      -8.533423      2.531156      4.815741
  C      -9.133552      3.896808      6.681041
  C      -8.919665      4.201775      8.033893
  C      -9.777647      5.080685      8.692478
  C     -10.840259      5.677377      8.011404
  C     -11.036206      5.370233      6.662770
  Br    -12.476060      6.197556      5.723451
  C     -10.205045      4.484221      5.989846
  H      -1.441981     -0.674793      4.682231
  H      -4.755088     -2.519154      2.006680
  H      -4.605843     -4.976260      2.448017
  H      -3.815108     -5.800836      4.658304
  H      -3.313174     -1.740767      6.001528
  H      -4.896926      4.670075      3.684416
  H      -8.364754      7.689003      3.257083
  H     -10.258842      8.666151      4.574575
  H     -10.052058      8.931422      7.037583
  H      -6.078656      7.251275      6.877929
  H      -6.169559      2.336952      4.719512
  H      -8.087107      3.736857      8.559221
  H      -9.618827      5.316739      9.745210
  H     -11.505877      6.375070      8.519306
  H     -10.360904      4.240709      4.939573
  N      -3.690064      2.584014      2.805850
  H      -2.818748      2.385749      2.301213
  H      -4.076936      3.436547      2.388751
  H      -4.328288      1.789529      2.598774
75
Coordinates from ORCA-job orca E -13784.705123946896
  N      -1.575737      1.438001      5.105847
  Mo     -3.307743      2.561736      5.020041
  N      -4.795528      2.091722      6.270402
  C      -4.556010      2.027271      7.715330
  C      -3.051515      2.012446      7.944159
  N      -2.411757      2.999035      7.023913
  C      -0.926856      2.841824      6.936591
  C      -0.543685      1.603720      6.127613
  C      -2.740283      4.410775      7.406131
  C      -2.645457      5.289694      6.174365
  N      -3.335862      4.588476      5.081027
  H       0.447439      1.760739      5.675294
  H      -0.488387      0.703683      6.757498
  H      -0.550456      3.738442      6.428296
  H      -0.489239      2.817063      7.946714
  H      -3.126357      6.260514      6.356377
  H      -1.603213      5.479061      5.877208
  H      -3.770581      4.426354      7.779891
  H      -2.071483      4.743662      8.215393
  H      -5.013947      1.117580      8.132909
  H      -5.052243      2.879369      8.205967
  H      -2.639769      1.023070      7.701084
  H      -2.797888      2.243178      8.991331
  C      -2.044306      0.245196      4.709104
  N      -3.312955      0.372050      4.362018
  C      -4.124746     -0.522948      3.666136
  O      -4.936083     -0.067473      2.854567
  C      -4.012095     -1.974937      3.957172
  C      -4.400839     -2.892763      2.968849
  C      -4.323563     -4.258612      3.225383
  C      -3.881392     -4.726893      4.466662
  C      -3.517584     -3.804330      5.448430
  Br     -2.944043     -4.421173      7.156743
  C      -3.572512     -2.434265      5.209309
  C      -4.412015      5.210842      4.513388
  N      -4.925053      6.321096      4.934236
  C      -6.023979      6.787085      4.181267
  O      -6.083796      6.683637      2.956622
  C      -7.110878      7.409842      4.987483
  C      -8.288217      7.814195      4.339805
  C      -9.337741      8.353464      5.077199
  C      -9.230298      8.499603      6.463758
  C      -8.052511      8.098757      7.093952
  Br     -7.885496      8.306756      8.985320
  C      -6.991354      7.554040      6.378604
  C      -6.046643      2.358492      5.814640
  N      -7.034892      2.667694      6.598558
  C      -8.240261      2.971888      5.923130
  O      -8.529981      2.536464      4.809796
  C      -9.134423      3.895716      6.678385
  C      -8.923186      4.197210      8.032340
  C      -9.783948      5.072379      8.692416
  C     -10.846934      5.668797      8.011737
  C     -11.040465      5.365180      6.661975
  Br    -12.480466      6.192460      5.722906
  C     -10.206570      4.482789      5.987570
  H      -1.442907     -0.674858      4.682475
  H      -4.756815     -2.519644      2.008719
  H      -4.613502     -4.975961      2.456787
  H      -3.828564     -5.796085      4.670766
  H      -3.318859     -1.733615      6.003624
  H      -4.892953      4.673111      3.682138
  H      -8.362576      7.689631      3.259588
  H     -10.258866      8.658764      4.579819
  H     -10.053111      8.916831      7.043689
  H      -6.075187      7.247178      6.879342
  H      -6.167542      2.341042      4.715535
  H      -8.090201      3.732748      8.557405
  H      -9.626953      5.306157      9.745909
  H     -11.514598      6.363585      8.520893
  H     -10.360243      4.241958      4.936338
  N      -3.685850      2.586310      2.802880
  H      -2.815006      2.388003      2.297354
  H      -4.071746      3.439700      2.386669
  H      -4.324337      1.792098      2.595779
75
Coordinates from ORCA-job orca E -13784.705125627608
  N      -1.574189      1.438369      5.104608
  Mo     -3.304933      2.563673      5.018035
  N      -4.793715      2.094628      6.267074
  C      -4.554915      2.030846      7.712233
  C      -3.050482      2.014984      7.941925
  N      -2.409338      3.000832      7.021923
  C      -0.924743      2.842042      6.935444
  C      -0.542184      1.603597      6.126397
  C      -2.736657      4.412974      7.403656
  C      -2.640830      5.291347      6.171588
  N      -3.331953      4.590121      5.078505
  H       0.449062      1.760353      5.674225
  H      -0.487255      0.703506      6.756252
  H      -0.546580      3.738439      6.428059
  H      -0.487412      2.815950      7.945725
  H      -3.121052      6.262593      6.353147
  H      -1.598533      5.479786      5.874063
  H      -3.767017      4.429770      7.777195
  H      -2.067886      4.745398      8.213089
  H      -5.014113      1.121843      8.129855
  H      -5.050501      2.883632      8.202271
  H      -2.639263      1.025258      7.699419
  H      -2.797437      2.245643      8.989247
  C      -2.043491      0.245711      4.707965
  N      -3.311755      0.373608      4.359649
  C      -4.123750     -0.521313      3.663855
  O      -4.932433     -0.065882      2.849755
  C      -4.014949     -1.972703      3.958719
  C      -4.403189     -2.892263      2.971786
  C      -4.329112     -4.257684      3.231852
  C      -3.890965     -4.723444      4.475528
  C      -3.527722     -3.799103      5.455927
  Br     -2.959506     -4.412791      7.167166
  C      -3.579181     -2.429601      5.213135
  C      -4.408786      5.212518      4.511954
  N      -4.921388      6.322682      4.933378
  C      -6.021774      6.788403      4.182125
  O      -6.083145      6.685455      2.957601
  C      -7.107775      7.409871      4.990549
  C      -8.286584      7.813042      4.344693
  C      -9.335822      8.350387      5.083974
  C      -9.226687      8.495316      6.470532
  C      -8.047480      8.095516      7.098783
  Br     -7.878768      8.301794      8.990136
  C      -6.986509      7.553089      6.381578
  C      -6.044630      2.360732      5.810593
  N      -7.033252      2.670898      6.593840
  C      -8.238227      2.974544      5.917671
  O      -8.525868      2.541369      4.802935
  C      -9.135644      3.893924      6.674367
  C      -8.926916      4.192472      8.029256
  C      -9.791134      5.063116      8.690756
  C     -10.855370      5.657822      8.010628
  C     -11.046614      5.357202      6.659862
  Br    -12.488309      6.182141      5.721477
  C     -10.209089      4.479494      5.983979
  H      -1.442896     -0.674890      4.683604
  H      -4.756111     -2.520978      2.009802
  H      -4.618394     -4.976516      2.464338
  H      -3.840815     -5.792239      4.682405
  H      -3.325979     -1.727306      6.006196
  H      -4.890896      4.674751      3.681314
  H      -8.362451      7.689184      3.264493
  H     -10.258018      8.654688      4.587968
  H     -10.049389      8.910669      7.051925
  H      -6.069206      7.247106      6.880797
  H      -6.165466      2.342528      4.711539
  H      -8.092951      3.729334      8.553983
  H      -9.635937      5.294802      9.744955
  H     -11.525741      6.348995      8.521036
  H     -10.360826      4.240938      4.931913
  N      -3.682203      2.588088      2.800286
  H      -2.811611      2.389384      2.294349
  H      -4.067595      3.441796      2.384071
  H      -4.321363      1.794367      2.593637
75
Coordinates from ORCA-job orca E -13784.704976887628
  N      -1.557829      1.443304      5.091417
  Mo     -3.275522      2.585977      4.996896
  N      -4.774495      2.131706      6.235797
  C      -4.542178      2.073228      7.682877
  C      -3.038413      2.043941      7.919968
  N      -2.382569      3.020852      7.001285
  C      -0.900524      2.844918      6.922512
  C      -0.526263      1.602177      6.113849
  C      -2.696431      4.437383      7.377617
  C      -2.590434      5.309828      6.142339
  N      -3.288527      4.610373      5.051228
  H       0.466660      1.752869      5.663144
  H      -0.477514      0.702187      6.744505
  H      -0.505972      3.737914      6.421471
  H      -0.467070      2.808579      7.934629
  H      -3.062206      6.286035      6.319772
  H      -1.546920      5.487466      5.842670
  H      -3.727193      4.466856      7.749325
  H      -2.026859      4.765560      8.187756
  H      -5.014073      1.171323      8.101232
  H      -5.030186      2.933055      8.167648
  H      -2.634917      1.049851      7.682819
  H      -2.789397      2.274130      8.968272
  C      -2.036889      0.252730      4.698537
  N      -3.301368      0.392039      4.339664
  C      -4.119264     -0.501185      3.648484
  O      -4.905440     -0.045989      2.813396
  C      -4.047320     -1.946370      3.977959
  C      -4.438458     -2.881250      3.006374
  C      -4.397468     -4.241737      3.299510
  C      -3.991537     -4.684716      4.562454
  C      -3.625382     -3.744617      5.527361
  Br     -3.099533     -4.328649      7.262449
  C      -3.642052     -2.381032      5.250737
  C      -4.372350      5.233460      4.497380
  N      -4.886122      6.337404      4.931959
  C      -6.000135      6.801478      4.198675
  O      -6.068212      6.723684      2.973293
  C      -7.093509      7.375617      5.031549
  C      -8.286325      7.765210      4.402806
  C      -9.346534      8.249282      5.162937
  C      -9.235024      8.350703      6.553078
  C      -8.042077      7.964003      7.163669
  Br     -7.874581      8.108620      9.060251
  C      -6.969412      7.477397      6.425620
  C      -6.023064      2.393597      5.772535
  N      -7.014540      2.713280      6.549506
  C      -8.215490      3.014041      5.865872
  O      -8.485193      2.600967      4.739217
  C      -9.132684      3.908635      6.627291
  C      -8.946696      4.183613      7.989608
  C      -9.832132      5.028353      8.656051
  C     -10.896181      5.620353      7.973804
  C     -11.065272      5.344349      6.614813
  Br    -12.505386      6.166913      5.672829
  C     -10.205817      4.493272      5.933643
  H      -1.446096     -0.674111      4.694912
  H      -4.766789     -2.526715      2.029410
  H      -4.687623     -4.973494      2.544130
  H      -3.968453     -5.749214      4.795257
  H      -3.387157     -1.664439      6.030833
  H      -4.862987      4.697999      3.669749
  H      -8.365358      7.673056      3.319598
  H     -10.279107      8.542191      4.679617
  H     -10.066949      8.721859      7.150364
  H      -6.041705      7.180705      6.911093
  H      -6.142037      2.368045      4.673554
  H      -8.112642      3.722876      8.516680
  H      -9.694498      5.242185      9.716360
  H     -11.583560      6.290272      8.489438
  H     -10.339722      4.273118      4.875100
  N      -3.648168      2.606448      2.774649
  H      -2.780080      2.402992      2.265379
  H      -4.028976      3.462786      2.358200
  H      -4.293416      1.817080      2.571888
75
Coordinates from ORCA-job orca E -13784.705126148969
  N      -1.572224      1.438988      5.101481
  Mo     -3.301398      2.566381      5.014570
  N      -4.791360      2.099161      6.262669
  C      -4.553402      2.037328      7.708145
  C      -3.049100      2.019377      7.938624
  N      -2.405803      3.003611      7.018338
  C      -0.921549      2.842215      6.932714
  C      -0.540147      1.603440      6.123239
  C      -2.730872      4.416535      7.399031
  C      -2.633918      5.293684      6.166204
  N      -3.326884      4.592704      5.074007
  H       0.451251      1.759563      5.671206
  H      -0.485846      0.703361      6.753193
  H      -0.541135      3.738233      6.426327
  H      -0.484797      2.814628      7.943233
  H      -3.112411      6.265894      6.347121
  H      -1.591469      5.479965      5.867874
  H      -3.761218      4.435361      7.772589
  H      -2.061729      4.748388      8.208361
  H      -5.014348      1.129636      8.126676
  H      -5.047881      2.891499      8.196827
  H      -2.639072      1.028898      7.697214
  H      -2.796427      2.250421      8.985952
  C      -2.042984      0.246491      4.706079
  N      -3.310815      0.375689      4.356759
  C      -4.124187     -0.519450      3.662845
  O      -4.931280     -0.064523      2.846907
  C      -4.019208     -1.969982      3.962501
  C      -4.409754     -2.892122      2.978891
  C      -4.339139     -4.256799      3.243927
  C      -3.902131     -4.719014      4.489320
  C      -3.536419     -3.792051      5.466352
  Br     -2.969317     -4.400996      7.179633
  C      -3.584377     -2.423346      5.218554
  C      -4.405733      5.214828      4.510813
  N      -4.918140      6.324061      4.934756
  C      -6.022239      6.788883      4.188233
  O      -6.087014      6.689542      2.963692
  C      -7.107009      7.405101      5.002284
  C      -8.289448      7.806230      4.361901
  C      -9.338286      8.336692      5.106695
  C      -9.225128      8.476525      6.493439
  C      -8.042049      8.079486      7.116148
  Br     -7.867946      8.279088      9.007635
  C      -6.981424      7.544042      6.393312
  C      -6.042081      2.363308      5.804769
  N      -7.031504      2.675063      6.586472
  C      -8.235931      2.976134      5.908090
  O      -8.520257      2.543358      4.792328
  C      -9.136385      3.894486      6.662316
  C      -8.931101      4.194083      8.017449
  C      -9.797804      5.064184      8.676349
  C     -10.861029      5.657359      7.993346
  C     -11.049158      5.355292      6.642456
  Br    -12.489147      6.178542      5.700050
  C     -10.209091      4.478209      5.969153
  H      -1.443635     -0.674981      4.684834
  H      -4.761691     -2.523577      2.015500
  H      -4.630171     -4.977754      2.479070
  H      -3.854642     -5.787201      4.700005
  H      -3.329227     -1.718690      6.008914
  H      -4.889588      4.677196      3.681035
  H      -8.368755      7.685737      3.281568
  H     -10.263415      8.638808      4.614867
  H     -10.047853      8.885647      7.079272
  H      -6.061258      7.239805      6.888288
  H      -6.162316      2.342486      4.705682
  H      -8.097424      3.732758      8.544232
  H      -9.645035      5.297035      9.730625
  H     -11.532739      6.348863      8.501481
  H     -10.357977      4.239067      4.916796
  N      -3.678962      2.590591      2.796512
  H      -2.808452      2.392845      2.290108
  H      -4.065579      3.443900      2.380530
  H      -4.317625      1.796409      2.590181
75
Coordinates from ORCA-job orca E -13784.705112188603
  N      -1.571219      1.439407      5.101369
  Mo     -3.299297      2.568591      5.016162
  N      -4.789258      2.101666      6.264646
  C      -4.550523      2.038409      7.709925
  C      -3.046157      2.018731      7.939537
  N      -2.402531      3.003419      7.019944
  C      -0.918430      2.840807      6.933527
  C      -0.538501      1.602333      6.122729
  C      -2.726836      4.416178      7.402133
  C      -2.629143      5.294408      6.170254
  N      -3.321989      4.595088      5.076913
  H       0.452866      1.757874      5.670448
  H      -0.484706      0.701861      6.752194
  H      -0.537370      3.736945      6.427801
  H      -0.481314      2.811951      7.943866
  H      -3.106713      6.266973      6.351802
  H      -1.586346      5.479859      5.872666
  H      -3.757240      4.435278      7.775526
  H      -2.057703      4.746676      8.211977
  H      -5.012068      1.130748      8.127884
  H      -5.043945      2.892492      8.199737
  H      -2.637057      1.028204      7.696864
  H      -2.792670      2.248505      8.986931
  C      -2.043616      0.247515      4.706357
  N      -3.311436      0.378350      4.357313
  C      -4.126310     -0.515254      3.663299
  O      -4.931842     -0.058566      2.846817
  C      -4.023787     -1.966080      3.962064
  C      -4.414858     -2.887091      2.977581
  C      -4.346732     -4.252050      3.241987
  C      -3.911728     -4.715690      4.487547
  C      -3.545547     -3.789808      5.465466
  Br     -2.981420     -4.400564      7.179074
  C      -3.591089     -2.420855      5.218359
  C      -4.397717      5.219726      4.510681
  N      -4.909493      6.329700      4.933362
  C      -6.005719      6.800326      4.178817
  O      -6.058906      6.707143      2.953298
  C      -7.099168      7.410749      4.985454
  C      -8.272163      7.821652      4.334120
  C      -9.328732      8.347983      5.070534
  C      -9.233145      8.472921      6.460004
  C      -8.059773      8.065114      7.094035
  Br     -7.910721      8.241803      8.989920
  C      -6.991298      7.534567      6.379426
  C      -6.039953      2.367240      5.807784
  N      -7.028306      2.678857      6.590785
  C      -8.233405      2.982585      5.914683
  O      -8.520461      2.551494      4.799010
  C      -9.135770      3.892991      6.676020
  C      -8.927008      4.187169      8.031795
  C      -9.796620      5.048435      8.698359
  C     -10.866423      5.637983      8.022524
  C     -11.057472      5.341982      6.670608
  Br    -12.506701      6.160285      5.738149
  C     -10.214367      4.473813      5.989657
  H      -1.445134     -0.674482      4.684600
  H      -4.765220     -2.517524      2.014024
  H      -4.638276     -4.972184      2.476481
  H      -3.866236     -5.784133      4.697734
  H      -3.336003     -1.717014      6.009482
  H      -4.878203      4.684373      3.677601
  H      -8.337717      7.712792      3.251563
  H     -10.246313      8.658386      4.569789
  H     -10.061899      8.878827      7.039197
  H      -6.078740      7.222041      6.883189
  H      -6.160821      2.347885      4.708739
  H      -8.088776      3.728004      8.553267
  H      -9.641639      5.276297      9.753522
  H     -11.541369      6.321737      8.537116
  H     -10.366187      4.238693      4.936899
  N      -3.679248      2.594986      2.798595
  H      -2.809251      2.396712      2.291499
  H      -4.065752      3.448695      2.383244
  H      -4.318982      1.801683      2.592283
75
Coordinates from ORCA-job orca E -13784.705127708894
  N      -1.571481      1.439597      5.101347
  Mo     -3.300220      2.567680      5.015454
  N      -4.790257      2.099922      6.263444
  C      -4.552073      2.037176      7.708834
  C      -3.047797      2.018621      7.939033
  N      -2.404361      3.003446      7.019384
  C      -0.920164      2.841598      6.933560
  C      -0.539254      1.603229      6.123115
  C      -2.729326      4.416198      7.401024
  C      -2.631896      5.294133      6.168808
  N      -3.324530      4.594106      5.075798
  H       0.452168      1.759339      5.671149
  H      -0.485155      0.702832      6.752649
  H      -0.539429      3.737855      6.427835
  H      -0.483445      2.813153      7.944064
  H      -3.109944      6.266498      6.350070
  H      -1.589204      5.479999      5.871075
  H      -3.759784      4.434922      7.774289
  H      -2.060412      4.747284      8.210844
  H      -5.013211      1.129364      8.126920
  H      -5.046222      2.891159      8.198150
  H      -2.637982      1.028261      7.696796
  H      -2.794876      2.248852      8.986481
  C      -2.043043      0.247368      4.706177
  N      -3.310747      0.377356      4.356669
  C      -4.124820     -0.516964      3.662602
  O      -4.930880     -0.061043      2.846179
  C      -4.021434     -1.967666      3.961981
  C      -4.411882     -2.889289      2.977856
  C      -4.342782     -4.254078      3.242764
  C      -3.907443     -4.716971      4.488482
  C      -3.541945     -3.790505      5.466061
  Br     -2.977375     -4.400238      7.179884
  C      -3.588473     -2.421698      5.218456
  C      -4.401641      5.217363      4.510526
  N      -4.914011      6.327097      4.933102
  C      -6.014233      6.793833      4.182000
  O      -6.074000      6.694230      2.957263
  C      -7.103766      7.407554      4.991544
  C      -8.282923      7.809353      4.345625
  C      -9.335756      8.338493      5.085621
  C      -9.229846      8.476344      6.473127
  C      -8.050249      8.077983      7.101591
  Br     -7.886264      8.274250      8.994330
  C      -6.985755      7.543843      6.383515
  C      -6.041004      2.364547      5.806022
  N      -7.030028      2.675229      6.588627
  C      -8.234439      2.979369      5.911504
  O      -8.517729      2.553634      4.792773
  C      -9.135687      3.892726      6.670812
  C      -8.932263      4.182231      8.028443
  C      -9.800413      5.046717      8.692803
  C     -10.862935      5.644621      8.012856
  C     -11.048446      5.353527      6.659144
  Br    -12.486702      6.184354      5.720763
  C     -10.207288      4.481666      5.980445
  H      -1.444050     -0.674332      4.684754
  H      -4.762462     -2.520305      2.014147
  H      -4.633768     -4.974655      2.477516
  H      -3.861159     -5.785256      4.699036
  H      -3.333822     -1.717401      6.009282
  H      -4.883380      4.680449      3.679117
  H      -8.356339      7.690871      3.264630
  H     -10.258135      8.641673      4.589265
  H     -10.055305      8.885299      7.055096
  H      -6.068203      7.238977      6.882928
  H      -6.161384      2.345404      4.706922
  H      -8.099402      3.716896      8.552985
  H      -9.649573      5.270959      9.749253
  H     -11.536290      6.331202      8.525559
  H     -10.354758      4.250460      4.926135
  N      -3.679221      2.593501      2.797749
  H      -2.808872      2.396015      2.290972
  H      -4.066312      3.446839      2.382275
  H      -4.318107      1.799553      2.591258
75
Coordinates from ORCA-job orca E -13784.705123797841
  N      -1.571607      1.439081      5.100985
  Mo     -3.300625      2.566643      5.013630
  N      -4.791022      2.099296      6.261354
  C      -4.553575      2.038408      7.706955
  C      -3.049421      2.020179      7.937933
  N      -2.405535      3.004078      7.017583
  C      -0.921276      2.842248      6.932581
  C      -0.539891      1.603439      6.123150
  C      -2.730371      4.417141      7.397883
  C      -2.632900      5.293975      6.164893
  N      -3.325882      4.593121      5.072712
  H       0.451703      1.759367      5.671506
  H      -0.485980      0.703440      6.753255
  H      -0.540422      3.738196      6.426408
  H      -0.485095      2.814577      7.943324
  H      -3.110935      6.266467      6.345479
  H      -1.590263      5.479638      5.866797
  H      -3.760843      4.436211      7.771089
  H      -2.061434      4.748942      8.207419
  H      -5.014827      1.131090      8.125993
  H      -5.048059      2.892995      8.194904
  H      -2.639457      1.029568      7.696932
  H      -2.797029      2.251522      8.985273
  C      -2.042726      0.246504      4.706287
  N      -3.310322      0.375854      4.356373
  C      -4.124091     -0.519370      3.663098
  O      -4.931554     -0.064503      2.847423
  C      -4.019581     -1.969788      3.963508
  C      -4.411062     -2.892404      2.980750
  C      -4.340906     -4.256906      3.246722
  C      -3.903323     -4.718567      4.492108
  C      -3.536653     -3.791118      5.468287
  Br     -2.968815     -4.399145      7.181633
  C      -3.584278     -2.422551      5.219615
  C      -4.404913      5.215266      4.509967
  N      -4.918183      6.323603      4.935056
  C      -6.023129      6.787627      4.189317
  O      -6.085668      6.694214      2.964188
  C      -7.107220      7.404383      5.003858
  C      -8.288435      7.809259      4.363641
  C      -9.336535      8.340639      5.108819
  C      -9.223654      8.478130      6.495810
  C      -8.041926      8.077076      7.118515
  Br     -7.868039      8.273476      9.010363
  C      -6.982153      7.540405      6.395240
  C      -6.041564      2.363075      5.802754
  N      -7.031147      2.675378      6.584024
  C      -8.235189      2.977032      5.905013
  O      -8.520409      2.542615      4.790083
  C      -9.136362      3.894209      6.659847
  C      -8.930415      4.193842      8.014917
  C      -9.797996      5.062435      8.674697
  C     -10.862757      5.654010      7.992687
  C     -11.051121      5.352362      6.641711
  Br    -12.493167      6.173647      5.700683
  C     -10.210281      4.476616      5.967573
  H      -1.443552     -0.675118      4.685798
  H      -4.763352     -2.524391      2.017291
  H      -4.632764     -4.978237      2.482557
  H      -3.856120     -5.786624      4.703467
  H      -3.328482     -1.717456      6.009352
  H      -4.888878      4.677403      3.680512
  H      -8.367355      7.690958      3.283041
  H     -10.260624      8.645943      4.616997
  H     -10.045401      8.888960      7.081815
  H      -6.062914      7.233318      6.890199
  H      -6.161275      2.341684      4.703609
  H      -8.095662      3.733635      8.540947
  H      -9.644967      5.294861      9.729038
  H     -11.535794      6.343562      8.501740
  H     -10.359840      4.237382      4.915341
  N      -3.678860      2.590728      2.795764
  H      -2.808068      2.394081      2.289466
  H      -4.066863      3.443289      2.379620
  H      -4.316508      1.795704      2.589391
75
Coordinates from ORCA-job orca E -13784.705128790105
  N      -1.571618      1.439284      5.101129
  Mo     -3.300349      2.567348      5.014626
  N      -4.790589      2.099778      6.262530
  C      -4.552801      2.038252      7.708040
  C      -3.048616      2.019577      7.938628
  N      -2.404749      3.003779      7.018568
  C      -0.920541      2.841627      6.933177
  C      -0.539636      1.603043      6.123133
  C      -2.729327      4.416754      7.399538
  C      -2.631677      5.294080      6.166922
  N      -3.324769      4.593856      5.074398
  H       0.451905      1.758901      5.671352
  H      -0.485805      0.702814      6.752922
  H      -0.539569      3.737695      6.427298
  H      -0.484169      2.813443      7.943824
  H      -3.109358      6.266685      6.347851
  H      -1.588951      5.479457      5.868975
  H      -3.759795      4.435869      7.772762
  H      -2.060328      4.748033      8.209226
  H      -5.014149      1.130864      8.126828
  H      -5.046977      2.892735      8.196471
  H      -2.638896      1.029007      7.697064
  H      -2.795906      2.250402      8.986002
  C      -2.043233      0.246946      4.706351
  N      -3.310835      0.376817      4.356626
  C      -4.125057     -0.517849      3.663197
  O      -4.931923     -0.062368      2.847275
  C      -4.021007     -1.968455      3.962852
  C      -4.412305     -2.890455      2.979441
  C      -4.342637     -4.255120      3.244736
  C      -3.905739     -4.717574      4.490066
  C      -3.539288     -3.790732      5.466907
  Br     -2.972466     -4.399806      7.180213
  C      -3.586448     -2.422013      5.218934
  C      -4.402673      5.216959      4.510527
  N      -4.914779      6.326375      4.934252
  C      -6.016875      6.792618      4.185635
  O      -6.078855      6.694123      2.960897
  C      -7.104461      7.406509      4.997654
  C      -8.284898      7.808989      4.354531
  C      -9.335814      8.338443      5.097047
  C      -9.226666      8.476074      6.484318
  C      -8.045796      8.077138      7.110006
  Br     -7.877231      8.273239      9.002363
  C      -6.983183      7.542588      6.389370
  C      -6.041204      2.363981      5.804405
  N      -7.030489      2.675737      6.586254
  C      -8.234728      2.978433      5.908054
  O      -8.519143      2.547753      4.791484
  C      -9.136146      3.893592      6.665024
  C      -8.930890      4.189119      8.021105
  C      -9.799107      5.055311      8.683187
  C     -10.863733      5.648656      8.002511
  C     -11.051240      5.351292      6.650450
  Br    -12.492934      6.175257      5.711239
  C     -10.209804      4.477920      5.973997
  H      -1.444305     -0.674822      4.685442
  H      -4.764059     -2.521855      2.016014
  H      -4.634370     -4.975980      2.480066
  H      -3.858923     -5.785769      4.700887
  H      -3.330951     -1.717402      6.009197
  H      -4.885637      4.679837      3.680015
  H      -8.360833      7.690682      3.273702
  H     -10.259214      8.642062      4.602891
  H     -10.050605      8.885376      7.068252
  H      -6.064623      7.237242      6.886641
  H      -6.161202      2.343331      4.705282
  H      -8.096348      3.727402      8.546150
  H      -9.646733      5.284352      9.738382
  H     -11.537353      6.336292      8.513432
  H     -10.358839      4.241891      4.920978
  N      -3.679484      2.592467      2.796965
  H      -2.808909      2.395665      2.290352
  H      -4.067403      3.445255      2.381189
  H      -4.317553      1.797800      2.590543
75
Coordinates from ORCA-job orca E -13784.705128648968
  N      -1.571336      1.439819      5.100519
  Mo     -3.300202      2.567659      5.014906
  N      -4.790005      2.099003      6.262820
  C      -4.551832      2.037190      7.708267
  C      -3.047594      2.018795      7.938499
  N      -2.404186      3.003549      7.018719
  C      -0.919995      2.841634      6.932979
  C      -0.539072      1.603441      6.122255
  C      -2.729099      4.416312      7.400320
  C      -2.631877      5.294107      6.168001
  N      -3.324967      4.594063      5.075289
  H       0.452274      1.759787      5.670206
  H      -0.484757      0.702960      6.751648
  H      -0.539105      3.738026      6.427614
  H      -0.483401      2.812839      7.943527
  H      -3.109683      6.266582      6.349291
  H      -1.589235      5.479727      5.869926
  H      -3.759513      4.435046      7.773721
  H      -2.060079      4.747438      8.210040
  H      -5.012976      1.129645      8.126924
  H      -5.045988      2.891481      8.197046
  H      -2.637662      1.028440      7.696422
  H      -2.794723      2.249219      8.985918
  C      -2.042899      0.247473      4.705608
  N      -3.310497      0.377310      4.355835
  C      -4.124731     -0.517340      3.662418
  O      -4.930863     -0.061820      2.845823
  C      -4.021367     -1.967871      3.962632
  C      -4.411913     -2.890103      2.979132
  C      -4.342814     -4.254719      3.244917
  C      -3.907370     -4.716835      4.490886
  C      -3.541764     -3.789755      5.467840
  Br     -2.976987     -4.398405      7.181974
  C      -3.588290     -2.421117      5.219356
  C      -4.402640      5.217184      4.510865
  N      -4.915067      6.326588      4.934168
  C      -6.015809      6.793377      4.183822
  O      -6.074528      6.697582      2.958727
  C      -7.104362      7.407896      4.994047
  C      -8.282610      7.812931      4.348492
  C      -9.334677      8.342780      5.089103
  C      -9.228923      8.478041      6.476868
  C      -8.050246      8.076421      7.104983
  Br     -7.886681      8.268583      8.998174
  C      -6.986453      7.541702      6.386258
  C      -6.040862      2.362799      5.805195
  N      -7.029902      2.673920      6.587661
  C      -8.234452      2.977195      5.910330
  O      -8.517426      2.551159      4.791622
  C      -9.135491      3.891613      6.668639
  C      -8.931442      4.183316      8.025713
  C      -9.799482      5.048627      8.689168
  C     -10.862617      5.645045      8.008876
  C     -11.048794      5.351710      6.655744
  Br    -12.487884      6.180541      5.716866
  C     -10.207645      4.479138      5.977933
  H      -1.443849     -0.674207      4.684844
  H      -4.762561     -2.521760      2.015201
  H      -4.633876     -4.975784      2.480163
  H      -3.861067     -5.784982      4.702095
  H      -3.333556     -1.716289      6.009681
  H      -4.884707      4.680349      3.679603
  H      -8.356000      7.696296      3.267304
  H     -10.256388      8.648390      4.593006
  H     -10.053818      8.887502      7.059315
  H      -6.069644      7.234214      6.885437
  H      -6.161339      2.342649      4.706129
  H      -8.098049      3.719212      8.550484
  H      -9.648053      5.274659      9.745145
  H     -11.536027      6.332062      8.520896
  H     -10.355641      4.246241      4.924063
  N      -3.680575      2.593603      2.797360
  H      -2.810294      2.397325      2.290003
  H      -4.069025      3.446485      2.382225
  H      -4.318630      1.798912      2.591065
75
Coordinates from ORCA-job orca E -13784.705129689068
  N      -1.571186      1.439651      5.100689
  Mo     -3.299829      2.567849      5.014379
  N      -4.790056      2.099815      6.262099
  C      -4.552316      2.038379      7.707625
  C      -3.048155      2.019617      7.938265
  N      -2.404201      3.003930      7.018367
  C      -0.920000      2.841608      6.933069
  C      -0.539189      1.603174      6.122720
  C      -2.728730      4.416886      7.399526
  C      -2.630995      5.294339      6.167004
  N      -3.324170      4.594324      5.074378
  H       0.452338      1.759108      5.670934
  H      -0.485348      0.702812      6.752321
  H      -0.538822      3.737782      6.427535
  H      -0.483754      2.813038      7.943763
  H      -3.108476      6.267024      6.348023
  H      -1.588229      5.479523      5.869084
  H      -3.759214      4.436011      7.772713
  H      -2.059749      4.748024      8.209281
  H      -5.013775      1.131076      8.126470
  H      -5.046413      2.892948      8.195983
  H      -2.638453      1.029074      7.696567
  H      -2.795479      2.250284      8.985679
  C      -2.042982      0.247342      4.705992
  N      -3.310465      0.377376      4.355962
  C      -4.124893     -0.517261      3.662775
  O      -4.931341     -0.061759      2.846455
  C      -4.021596     -1.967779      3.963120
  C      -4.412782     -2.890069      2.979935
  C      -4.343813     -4.254645      3.245891
  C      -3.907787     -4.716716      4.491671
  C      -3.541496     -3.789575      5.468292
  Br     -2.975897     -4.398088      7.182203
  C      -3.587947     -2.420953      5.219663
  C      -4.402016      5.217505      4.510401
  N      -4.914334      6.326794      4.934149
  C      -6.016013      6.793186      4.184988
  O      -6.076534      6.696319      2.960056
  C      -7.104205      7.406745      4.996432
  C      -8.283951      7.809913      4.352473
  C      -9.335522      8.338911      5.094380
  C      -9.227726      8.475366      6.481873
  C      -8.047547      8.075707      7.108405
  Br     -7.880914      8.269943      9.001122
  C      -6.984285      7.541651      6.388376
  C      -6.040717      2.363762      5.803966
  N      -7.029960      2.675323      6.585964
  C      -8.234134      2.978616      5.907901
  O      -8.517944      2.549919      4.790420
  C      -9.135810      3.892701      6.665860
  C      -8.931533      4.185574      8.022664
  C      -9.800006      5.050759      8.685723
  C     -10.863788      5.645895      8.005300
  C     -11.050177      5.351359      6.652460
  Br    -12.490266      6.178335      5.713448
  C     -10.208618      4.478849      5.975057
  H      -1.444168     -0.674506      4.685413
  H      -4.763858     -2.521780      2.016142
  H      -4.635436     -4.975741      2.481392
  H      -3.861544     -5.784840      4.703005
  H      -3.332665     -1.716081      6.009763
  H      -4.884609      4.680539      3.679566
  H      -8.358860      7.692460      3.271476
  H     -10.258392      8.643063      4.599546
  H     -10.052153      8.884347      7.065320
  H      -6.066287      7.235717      6.886320
  H      -6.160764      2.343256      4.704857
  H      -8.097596      3.722531      8.547502
  H      -9.648417      5.277668      9.741496
  H     -11.537568      6.332809      8.516994
  H     -10.356800      4.245039      4.921425
  N      -3.679847      2.593322      2.796828
  H      -2.809409      2.396931      2.289804
  H      -4.068242      3.446056      2.381365
  H      -4.317785      1.798530      2.590488
75
Coordinates from ORCA-job orca E -13784.705129807715
  N      -1.571193      1.439676      5.100396
  Mo     -3.299839      2.567898      5.014076
  N      -4.790027      2.099686      6.261790
  C      -4.552359      2.038613      7.707342
  C      -3.048222      2.019795      7.938041
  N      -2.404170      3.003984      7.018067
  C      -0.919971      2.841544      6.932848
  C      -0.539213      1.603130      6.122462
  C      -2.728541      4.416984      7.399160
  C      -2.630755      5.294336      6.166573
  N      -3.324177      4.594380      5.074082
  H       0.452319      1.759042      5.670681
  H      -0.485408      0.702743      6.752028
  H      -0.538704      3.737715      6.427380
  H      -0.483816      2.812910      7.943575
  H      -3.108031      6.267122      6.347585
  H      -1.587981      5.479302      5.868538
  H      -3.759013      4.436226      7.772375
  H      -2.059489      4.748106      8.208867
  H      -5.013891      1.131453      8.126418
  H      -5.046424      2.893348      8.195449
  H      -2.638564      1.029204      7.696447
  H      -2.795566      2.250558      8.985440
  C      -2.043059      0.247359      4.705792
  N      -3.310495      0.377403      4.355684
  C      -4.125082     -0.517357      3.662865
  O      -4.931844     -0.062030      2.846744
  C      -4.021679     -1.967812      3.963488
  C      -4.413252     -2.890326      2.980672
  C      -4.344180     -4.254833      3.246928
  C      -3.907640     -4.716626      4.492629
  C      -3.540934     -3.789260      5.468876
  Br     -2.974578     -4.397369      7.182679
  C      -3.587493     -2.420698      5.219945
  C      -4.402214      5.217641      4.510549
  N      -4.914261      6.326923      4.934624
  C      -6.016238      6.793535      4.186052
  O      -6.077432      6.696678      2.961149
  C      -7.104065      7.406883      4.998142
  C      -8.284104      7.810273      4.354862
  C      -9.335268      8.339195      5.097412
  C      -9.226785      8.475336      6.484883
  C      -8.046324      8.075458      7.110740
  Br     -7.878711      8.269288      9.003413
  C      -6.983444      7.541490      6.390055
  C      -6.040712      2.363341      5.803503
  N      -7.030046      2.675044      6.585346
  C      -8.234286      2.977673      5.907059
  O      -8.517960      2.548300      4.789800
  C      -9.135975      3.892408      6.664239
  C      -8.931367      4.186921      8.020647
  C      -9.799927      5.052586      8.682975
  C     -10.864209      5.646467      8.002230
  C     -11.050996      5.350200      6.649829
  Br    -12.492029      6.175148      5.710466
  C     -10.209258      4.477311      5.973128
  H      -1.444305     -0.674537      4.685382
  H      -4.764716     -2.522263      2.016935
  H      -4.636118     -4.976100      2.482718
  H      -3.861294     -5.784695      4.704189
  H      -3.331845     -1.715639      6.009760
  H      -4.885155      4.680763      3.679872
  H      -8.359546      7.693072      3.273879
  H     -10.258359      8.643522      4.603113
  H     -10.050911      8.884238      7.068840
  H      -6.065212      7.235409      6.887480
  H      -6.160716      2.342359      4.704399
  H      -8.097059      3.724829      8.545729
  H      -9.648052      5.280791      9.738421
  H     -11.538124      6.333661      8.513353
  H     -10.357787      4.242130      4.919845
  N      -3.680367      2.593318      2.796614
  H      -2.809945      2.397312      2.289424
  H      -4.069207      3.445880      2.381229
  H      -4.317998      1.798251      2.590344
