100
Coordinates from ORCA-job orca E -6259.370211906140
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
  N      -1.513512      3.522658      2.339404
  H      -1.897837      4.184181      1.678830
  H      -1.436396      2.614992      1.901372
  H      -0.597998      3.833657      2.634005
100
Coordinates from ORCA-job orca E -6259.392413016677
  N      -2.912274      1.358895      5.222384
  Mo     -3.589170      3.294492      5.145588
  N      -4.472884      3.039979      6.884990
  C      -3.610082      3.118629      8.056223
  C      -2.235284      2.543798      7.709100
  N      -1.750304      3.149617      6.442584
  C      -0.771643      2.271918      5.763434
  C      -1.512845      1.128608      5.026730
  C      -1.188603      4.501307      6.683826
  C      -1.700463      5.435945      5.582805
  N      -3.116961      5.179144      5.449092
  H      -1.246596      1.141614      3.950015
  H      -1.219230      0.143916      5.429547
  H      -0.233307      2.880348      5.029516
  H      -0.046711      1.881045      6.494704
  H      -1.484018      6.480009      5.851720
  H      -1.189047      5.211401      4.628412
  H      -1.568373      4.872578      7.643633
  H      -0.090204      4.473422      6.728082
  H      -4.022351      2.542037      8.900678
  H      -3.512587      4.169333      8.394739
  H      -2.347454      1.467537      7.544934
  H      -1.513254      2.713968      8.523248
  C      -3.884370      1.036444      4.262374
  C      -4.854041     -0.106903      4.603447
  C      -6.261357      0.152431      4.019540
  C      -6.206221      0.550125      2.569387
  N      -6.103005      1.862275      2.328109
  C      -6.007767      2.253252      1.039790
  N      -6.021910      1.494182     -0.032312
  C      -6.134186      0.148321      0.177570
  C      -6.152547     -0.721581     -0.931659
  C      -6.246283     -2.085371     -0.738560
  C      -6.321429     -2.620211      0.562221
  C      -6.309367     -1.793548      1.665768
  C      -6.221632     -0.389766      1.504474
  C      -3.988142      6.260652      5.870032
  C      -3.944117      7.511370      4.969836
  C      -4.240083      7.232219      3.491810
  C      -5.652656      6.795000      3.191763
  N      -6.546502      6.812980      4.180781
  C      -7.776283      6.332461      3.920157
  N      -8.225840      5.831648      2.788813
  C      -7.366598      5.881070      1.729589
  C      -7.812109      5.448638      0.462792
  C      -6.969045      5.521648     -0.629110
  C      -5.658053      6.012843     -0.486551
  C      -5.191263      6.429221      0.745032
  C      -6.031761      6.378044      1.880870
  C      -5.859366      2.746366      7.176375
  C      -6.718609      3.976461      7.534943
  C      -8.215279      3.654374      7.555722
  C      -8.832451      3.362292      6.207403
  N      -8.067370      3.426790      5.127663
  C      -8.621788      3.132928      3.926597
  N      -9.855502      2.747792      3.701241
  C     -10.685991      2.700000      4.783624
  C     -12.038080      2.330711      4.600952
  C     -12.893768      2.287293      5.679832
  C     -12.433161      2.605884      6.974452
  C     -11.118988      2.962366      7.183537
  C     -10.213773      3.017541      6.096552
  H      -3.493727      0.918880      3.232357
  H      -4.559975      1.972710      4.299836
  H      -4.927726     -0.199293      5.694724
  H      -4.448584     -1.045659      4.202550
  H      -6.889027     -0.737115      4.152105
  H      -6.728213      0.982278      4.566682
  H      -5.912029      3.329969      0.878660
  H      -6.089518     -0.284310     -1.926202
  H      -6.261793     -2.754234     -1.597467
  H      -6.391912     -3.698317      0.697510
  H      -6.369514     -2.219655      2.665669
  H      -5.020006      5.890859      5.870882
  H      -3.739434      6.580174      6.901743
  H      -2.953947      7.982050      5.037067
  H      -4.686495      8.220266      5.356322
  H      -4.034329      8.144090      2.909276
  H      -3.549992      6.455702      3.123955
  H      -8.480475      6.350286      4.757088
  H      -8.829664      5.071664      0.376962
  H      -7.319874      5.194111     -1.606171
  H      -5.006160      6.065318     -1.357242
  H      -4.178748      6.816328      0.840094
  H      -5.930784      2.019772      8.008679
  H      -6.307854      2.284111      6.288031
  H      -6.423865      4.352688      8.524269
  H      -6.524417      4.767664      6.799950
  H      -8.395797      2.787594      8.211038
  H      -8.759998      4.503324      7.996045
  H      -7.953848      3.204882      3.068907
  H     -12.368857      2.095311      3.591019
  H     -13.936290      2.007818      5.535369
  H     -13.125676      2.568709      7.813893
  H     -10.771809      3.208648      8.185359
  N      -2.380397      3.425602      3.444061
  N      -1.568013      3.505300      2.299527
  H      -1.955456      4.181839      1.625004
  H      -1.493369      2.588461      1.826643
  H      -0.615133      3.815100      2.552027
100
Coordinates from ORCA-job orca E -6259.405137527148
  N      -2.914596      1.341833      5.231586
  Mo     -3.548948      3.300061      5.136128
  N      -4.469657      3.093333      6.869660
  C      -3.611325      3.171528      8.054499
  C      -2.251949      2.554038      7.735328
  N      -1.736337      3.134674      6.456974
  C      -0.764286      2.228826      5.788547
  C      -1.516205      1.095934      5.048650
  C      -1.149397      4.489041      6.689355
  C      -1.633334      5.427000      5.583789
  N      -3.050615      5.185193      5.451082
  H      -1.235101      1.106169      3.973923
  H      -1.242189      0.106096      5.456596
  H      -0.208729      2.831334      5.060170
  H      -0.052875      1.836358      6.534433
  H      -1.404965      6.470228      5.856241
  H      -1.122731      5.197283      4.626730
  H      -1.532951      4.867759      7.646710
  H      -0.050503      4.430207      6.750834
  H      -4.050136      2.619224      8.903499
  H      -3.490554      4.224810      8.381392
  H      -2.381776      1.476941      7.583029
  H      -1.528651      2.721216      8.551464
  C      -3.887777      1.028126      4.257369
  C      -4.887217     -0.092732      4.591261
  C      -6.281867      0.184690      3.978598
  C      -6.194245      0.581059      2.528012
  N      -6.068028      1.885633      2.282482
  C      -5.932426      2.272739      0.985562
  N      -5.927665      1.503465     -0.088154
  C      -6.066275      0.160403      0.133508
  C      -6.069389     -0.725483     -0.971674
  C      -6.188674     -2.086272     -0.766997
  C      -6.306567     -2.611409      0.542750
  C      -6.310759     -1.771418      1.638835
  C      -6.197082     -0.367558      1.463211
  C      -3.939805      6.251704      5.891242
  C      -3.916630      7.497910      4.989865
  C      -4.231482      7.219710      3.517172
  C      -5.645830      6.772187      3.236900
  N      -6.517705      6.777383      4.237588
  C      -7.765022      6.293320      3.993551
  N      -8.230525      5.796567      2.862906
  C      -7.381094      5.850470      1.793778
  C      -7.840236      5.411040      0.526884
  C      -7.011617      5.490379     -0.575431
  C      -5.697382      6.000886     -0.451054
  C      -5.219745      6.422284      0.776376
  C      -6.045610      6.355965      1.927243
  C      -5.873707      2.826660      7.144776
  C      -6.733650      4.061514      7.469188
  C      -8.227331      3.727577      7.500251
  C      -8.851677      3.384473      6.166040
  N      -8.096041      3.422922      5.077693
  C      -8.668132      3.080906      3.888321
  N      -9.906493      2.673489      3.685739
  C     -10.720336      2.651271      4.785361
  C     -12.074240      2.258842      4.635561
  C     -12.915671      2.240657      5.730652
  C     -12.439084      2.608684      7.012131
  C     -11.122351      2.988810      7.187944
  C     -10.233617      3.018187      6.082421
  H      -3.491146      0.912025      3.233011
  H      -4.570106      1.973239      4.269174
  H      -4.981503     -0.180251      5.683121
  H      -4.482820     -1.040242      4.201996
  H      -6.924821     -0.697529      4.106577
  H      -6.747406      1.024623      4.514542
  H      -5.820007      3.350558      0.822572
  H      -5.974361     -0.299164     -1.972873
  H      -6.192432     -2.766188     -1.622486
  H      -6.397785     -3.690722      0.686221
  H      -6.404706     -2.187727      2.644263
  H      -4.969531      5.870003      5.901030
  H      -3.691982      6.567621      6.926058
  H      -2.927858      7.981148      5.047639
  H      -4.660607      8.202484      5.391637
  H      -4.040294      8.135341      2.929534
  H      -3.540899      6.448926      3.132734
  H      -8.454872      6.303663      4.844648
  H      -8.859048      5.024247      0.454298
  H      -7.372843      5.158213     -1.551578
  H      -5.057169      6.064545     -1.334473
  H      -4.210623      6.830457      0.856797
  H      -5.953667      2.112576      7.989364
  H      -6.315971      2.346947      6.259501
  H      -6.445033      4.467770      8.452273
  H      -6.538563      4.836075      6.713540
  H      -8.402370      2.879137      8.186419
  H      -8.783677      4.582363      7.921917
  H      -8.003585      3.136207      3.020141
  H     -12.419471      1.984972      3.635959
  H     -13.960355      1.942915      5.610638
  H     -13.120528      2.591020      7.866179
  H     -10.763117      3.272826      8.179572
  N      -2.428189      3.419848      3.448628
  N      -1.644649      3.487419      2.278867
  H      -2.026092      4.171512      1.597997
  H      -1.580173      2.574442      1.777060
  H      -0.667994      3.785283      2.486085
100
Coordinates from ORCA-job orca E -6259.414281764022
  N      -2.920115      1.317135      5.241437
  Mo     -3.527287      3.290006      5.128584
  N      -4.466166      3.125687      6.866371
  C      -3.605764      3.208440      8.054125
  C      -2.258198      2.563582      7.750116
  N      -1.728539      3.122051      6.461407
  C      -0.763317      2.198643      5.796939
  C      -1.521302      1.069178      5.058365
  C      -1.124469      4.477616      6.681880
  C      -1.598143      5.414072      5.573334
  N      -3.015117      5.181103      5.447368
  H      -1.234563      1.078067      3.984056
  H      -1.251943      0.078697      5.468384
  H      -0.201731      2.799626      5.070883
  H      -0.056676      1.809594      6.549074
  H      -1.362269      6.456879      5.844634
  H      -1.091890      5.181313      4.613611
  H      -1.506155      4.861372      7.638167
  H      -0.026669      4.396061      6.751886
  H      -4.058647      2.675884      8.909079
  H      -3.470037      4.263272      8.369182
  H      -2.397079      1.485988      7.608102
  H      -1.529829      2.732590      8.561815
  C      -3.898384      1.001862      4.265099
  C      -4.907938     -0.108713      4.606305
  C      -6.302730      0.161731      3.989283
  C      -6.216312      0.552284      2.537112
  N      -6.098832      1.852553      2.283778
  C      -5.953380      2.232995      0.981267
  N      -5.932397      1.454760     -0.088355
  C      -6.066746      0.112977      0.145930
  C      -6.055877     -0.785713     -0.952766
  C      -6.169724     -2.144283     -0.736515
  C      -6.296662     -2.660752      0.579248
  C      -6.314664     -1.809455      1.666606
  C      -6.206610     -0.406013      1.476703
  C      -3.917795      6.229959      5.907320
  C      -3.906995      7.483594      5.017796
  C      -4.222926      7.236463      3.540472
  C      -5.635798      6.797212      3.233432
  N      -6.517820      6.769187      4.219841
  C      -7.771772      6.301106      3.938782
  N      -8.221642      5.848370      2.783950
  C      -7.352883      5.933091      1.732152
  C      -7.793694      5.536936      0.441322
  C      -6.949880      5.653792     -0.644539
  C      -5.635619      6.164072     -0.484131
  C      -5.177875      6.541231      0.764947
  C      -6.020008      6.428393      1.902161
  C      -5.877211      2.873327      7.140131
  C      -6.741729      4.104835      7.449367
  C      -8.229480      3.750315      7.494391
  C      -8.856208      3.382195      6.168444
  N      -8.107075      3.434433      5.077285
  C      -8.683906      3.080723      3.889993
  N      -9.916259      2.647465      3.692242
  C     -10.719228      2.607219      4.801646
  C     -12.066698      2.185294      4.663218
  C     -12.899750      2.150576      5.765258
  C     -12.421755      2.531667      7.044315
  C     -11.110910      2.940945      7.208228
  C     -10.232249      2.986299      6.094631
  H      -3.503289      0.887981      3.240877
  H      -4.594385      1.945815      4.253303
  H      -5.004769     -0.188529      5.698649
  H      -4.500198     -1.060075      4.227040
  H      -6.942222     -0.721925      4.126319
  H      -6.771054      1.004375      4.519615
  H      -5.848149      3.310385      0.813405
  H      -5.954924     -0.368727     -1.958182
  H      -6.162922     -2.832965     -1.585948
  H      -6.383967     -3.739889      0.730542
  H      -6.415896     -2.216759      2.675563
  H      -4.941935      5.836341      5.921012
  H      -3.672506      6.535768      6.946340
  H      -2.920481      7.972977      5.082843
  H      -4.650446      8.181065      5.436161
  H      -4.029149      8.165296      2.973302
  H      -3.530309      6.477517      3.135640
  H      -8.471790      6.286292      4.780541
  H      -8.812533      5.154315      0.341249
  H      -7.295944      5.355996     -1.637941
  H      -4.984568      6.263153     -1.357056
  H      -4.173570      6.956646      0.873629
  H      -5.953498      2.166836      7.992222
  H      -6.316225      2.379488      6.260591
  H      -6.454368      4.529696      8.425916
  H      -6.557608      4.871966      6.682536
  H      -8.390225      2.908659      8.194085
  H      -8.800344      4.597965      7.913175
  H      -8.022432      3.161048      3.019340
  H     -12.415284      1.902359      3.666507
  H     -13.939330      1.830014      5.653525
  H     -13.096371      2.500944      7.904155
  H     -10.751205      3.234195      8.197586
  N      -2.522382      3.410642      3.453395
  N      -1.784677      3.479052      2.261535
  H      -2.178810      4.164848      1.586001
  H      -1.731698      2.573865      1.737404
  H      -0.794249      3.774286      2.417035
100
Coordinates from ORCA-job orca E -6259.420940797238
  N      -2.932711      1.299906      5.245039
  Mo     -3.495731      3.288568      5.105325
  N      -4.472690      3.173207      6.838475
  C      -3.626200      3.256158      8.036576
  C      -2.288476      2.576228      7.764007
  N      -1.725375      3.106679      6.475825
  C      -0.768275      2.160237      5.827824
  C      -1.532138      1.039771      5.079151
  C      -1.096390      4.454422      6.690426
  C      -1.543724      5.392987      5.570962
  N      -2.961613      5.182577      5.436116
  H      -1.227740      1.044778      4.009093
  H      -1.277256      0.047337      5.493031
  H      -0.186510      2.754087      5.111161
  H      -0.078248      1.766177      6.592046
  H      -1.293768      6.432740      5.841652
  H      -1.031367      5.151998      4.616506
  H      -1.482379      4.848947      7.640110
  H      -0.002020      4.344496      6.779328
  H      -4.105932      2.746397      8.891757
  H      -3.473810      4.311422      8.340787
  H      -2.443724      1.499674      7.631122
  H      -1.565851      2.741691      8.581213
  C      -3.903438      0.990517      4.255795
  C      -4.932269     -0.104566      4.587792
  C      -6.312897      0.172287      3.944117
  C      -6.200684      0.559262      2.492344
  N      -6.078902      1.857973      2.237082
  C      -5.904893      2.234709      0.936951
  N      -5.856192      1.453655     -0.128077
  C      -5.996338      0.112653      0.108370
  C      -5.959934     -0.789664     -0.987168
  C      -6.079836     -2.146371     -0.769820
  C      -6.239143     -2.659622      0.543780
  C      -6.282639     -1.804819      1.627016
  C      -6.168501     -0.403005      1.434413
  C      -3.862267      6.224922      5.912160
  C      -3.866845      7.482788      5.029843
  C      -4.206781      7.237819      3.560584
  C      -5.622492      6.789079      3.284409
  N      -6.479923      6.751000      4.291179
  C      -7.737919      6.274355      4.036471
  N      -8.205980      5.814653      2.894220
  C      -7.357973      5.898584      1.824463
  C      -7.818436      5.480433      0.547169
  C      -6.999494      5.598141     -0.556591
  C      -5.692402      6.137446     -0.430328
  C      -5.216546      6.535353      0.804852
  C      -6.030893      6.412426      1.961104
  C      -5.890720      2.942488      7.098245
  C      -6.751786      4.183378      7.370865
  C      -8.238611      3.827536      7.433911
  C      -8.877500      3.411742      6.126783
  N      -8.140823      3.432232      5.025678
  C      -8.730172      3.035674      3.857046
  N      -9.960351      2.589574      3.686613
  C     -10.749033      2.579114      4.807989
  C     -12.094117      2.142241      4.699224
  C     -12.913583      2.136779      5.811386
  C     -12.424272      2.562893      7.071948
  C     -11.115243      2.987607      7.206586
  C     -10.251237      3.003320      6.081597
  H      -3.496735      0.874642      3.235397
  H      -4.602443      1.935214      4.211586
  H      -5.048653     -0.176182      5.678503
  H      -4.525360     -1.062621      4.224425
  H      -6.958433     -0.706903      4.076848
  H      -6.785094      1.019958      4.462939
  H      -5.800894      3.312524      0.769641
  H      -5.835539     -0.376360     -1.990926
  H      -6.053678     -2.837700     -1.615965
  H      -6.331441     -3.737541      0.694505
  H      -6.409260     -2.208114      2.634114
  H      -4.882562      5.825266      5.933411
  H      -3.612453      6.524733      6.952163
  H      -2.882489      7.977516      5.082372
  H      -4.604291      8.177376      5.463823
  H      -4.027377      8.166008      2.988133
  H      -3.518958      6.483347      3.139999
  H      -8.417202      6.257355      4.894091
  H      -8.832809      5.080980      0.473529
  H      -7.359828      5.284322     -1.539431
  H      -5.064810      6.244029     -1.318859
  H      -4.222268      6.980462      0.887048
  H      -5.978444      2.253259      7.963784
  H      -6.321320      2.430146      6.225435
  H      -6.463890      4.638871      8.333423
  H      -6.569962      4.928189      6.581725
  H      -8.394367      3.011305      8.164872
  H      -8.811224      4.684054      7.831595
  H      -8.076204      3.089302      2.979617
  H     -12.452857      1.824070      3.716925
  H     -13.951195      1.804606      5.722336
  H     -13.088063      2.554736      7.939975
  H     -10.747247      3.315087      8.181888
  N      -2.585811      3.406370      3.446910
  N      -1.887541      3.477102      2.241890
  H      -2.292501      4.166392      1.577688
  H      -1.852071      2.578690      1.704843
  H      -0.888784      3.765147      2.359274
100
Coordinates from ORCA-job orca E -6259.426386682464
  N      -2.934947      1.295614      5.253398
  Mo     -3.475638      3.291357      5.092533
  N      -4.470836      3.191686      6.826342
  C      -3.628162      3.274510      8.027586
  C      -2.291467      2.587723      7.767461
  N      -1.714486      3.107429      6.479812
  C      -0.763758      2.149970      5.836220
  C      -1.533500      1.034230      5.084714
  C      -1.073086      4.451605      6.686851
  C      -1.513501      5.387545      5.561530
  N      -2.932818      5.190872      5.426167
  H      -1.228025      1.039206      4.014949
  H      -1.278697      0.041084      5.496632
  H      -0.173804      2.741122      5.123353
  H      -0.078678      1.752674      6.603027
  H      -1.255088      6.426932      5.827046
  H      -0.998654      5.139708      4.610085
  H      -1.456485      4.853122      7.634674
  H       0.019679      4.327865      6.780221
  H      -4.115652      2.770067      8.881326
  H      -3.473625      4.328787      8.331650
  H      -2.449708      1.511671      7.635893
  H      -1.571247      2.752288      8.586848
  C      -3.908013      0.981257      4.266235
  C      -4.935596     -0.111788      4.608167
  C      -6.316977      0.149211      3.963271
  C      -6.211896      0.526242      2.509073
  N      -6.114317      1.824267      2.244125
  C      -5.948846      2.193689      0.941843
  N      -5.884016      1.405212     -0.116745
  C      -5.998681      0.063819      0.129635
  C      -5.946784     -0.846398     -0.959299
  C      -6.041526     -2.202783     -0.732310
  C      -6.190061     -2.708471      0.584380
  C      -6.250117     -1.845701      1.661058
  C      -6.161986     -0.444170      1.457999
  C      -3.824785      6.229022      5.924605
  C      -3.827686      7.490805      5.046708
  C      -4.187737      7.257824      3.579598
  C      -5.613572      6.844175      3.303993
  N      -6.471265      6.829590      4.307255
  C      -7.743654      6.394863      4.046019
  N      -8.221018      5.946916      2.905455
  C      -7.365727      5.994609      1.842601
  C      -7.828943      5.570880      0.570423
  C      -7.004062      5.656001     -0.527766
  C      -5.690199      6.173874     -0.401983
  C      -5.212088      6.576526      0.828457
  C      -6.029183      6.475871      1.980826
  C      -5.888685      2.951794      7.078017
  C      -6.762426      4.179195      7.358481
  C      -8.244392      3.803743      7.428383
  C      -8.878097      3.398296      6.119541
  N      -8.138486      3.456048      5.024809
  C      -8.719670      3.094080      3.847002
  N      -9.944081      2.648022      3.659626
  C     -10.734550      2.591478      4.776805
  C     -12.073618      2.150095      4.650735
  C     -12.896911      2.101616      5.756327
  C     -12.417344      2.487617      7.027294
  C     -11.114160      2.917299      7.178550
  C     -10.246488      2.976572      6.060533
  H      -3.502973      0.862355      3.245048
  H      -4.613774      1.922334      4.200574
  H      -5.050948     -0.172285      5.699563
  H      -4.524640     -1.073221      4.257231
  H      -6.954130     -0.734237      4.105627
  H      -6.795340      0.996872      4.476684
  H      -5.869019      3.272340      0.767930
  H      -5.832029     -0.439298     -1.965693
  H      -6.003804     -2.900459     -1.572968
  H      -6.262231     -3.786340      0.741680
  H      -6.369676     -2.242435      2.670656
  H      -4.844891      5.831978      5.956808
  H      -3.563639      6.522598      6.964012
  H      -2.836384      7.971429      5.090050
  H      -4.546781      8.196699      5.493827
  H      -3.990804      8.181010      3.006522
  H      -3.519261      6.490793      3.151969
  H      -8.424766      6.405738      4.899070
  H      -8.850302      5.193659      0.496929
  H      -7.365292      5.337484     -1.506809
  H      -5.060930      6.262064     -1.287839
  H      -4.215834      7.013185      0.908910
  H      -5.974056      2.255893      7.937436
  H      -6.310505      2.439943      6.200952
  H      -6.473924      4.635181      8.319509
  H      -6.596841      4.929508      6.572397
  H      -8.389365      2.981576      8.152240
  H      -8.827485      4.647217      7.837078
  H      -8.062769      3.184630      2.976576
  H     -12.425627      1.864082      3.661025
  H     -13.930223      1.766558      5.653839
  H     -13.084201      2.445758      7.889858
  H     -10.754550      3.214549      8.161944
  N      -2.680061      3.394209      3.403470
  N      -2.026441      3.441806      2.169420
  H      -2.450508      4.123434      1.508903
  H      -2.016482      2.538373      1.641726
  H      -1.016731      3.727462      2.242863
100
Coordinates from ORCA-job orca E -6259.431562971058
  N      -2.946947      1.304513      5.251268
  Mo     -3.468707      3.302138      5.075528
  N      -4.485171      3.201680      6.805543
  C      -3.649606      3.284677      8.009245
  C      -2.308927      2.599134      7.760594
  N      -1.716437      3.114432      6.481524
  C      -0.771166      2.152543      5.840255
  C      -1.543847      1.043358      5.079435
  C      -1.066848      4.451243      6.688942
  C      -1.501964      5.388366      5.560240
  N      -2.923056      5.204642      5.419524
  H      -1.237928      1.050713      4.010611
  H      -1.286791      0.049141      5.486569
  H      -0.172858      2.742726      5.133939
  H      -0.091194      1.746920      6.606298
  H      -1.237343      6.426063      5.824439
  H      -0.980589      5.137498      4.614454
  H      -1.449161      4.855837      7.635416
  H       0.023213      4.320264      6.786307
  H      -4.142304      2.780426      8.859226
  H      -3.497696      4.337736      8.316314
  H      -2.468502      1.524149      7.625860
  H      -1.595670      2.761302      8.585727
  C      -3.921579      0.984900      4.267788
  C      -4.942898     -0.112293      4.614260
  C      -6.322435      0.138115      3.966350
  C      -6.215212      0.512688      2.512609
  N      -6.127969      1.812861      2.246656
  C      -5.956707      2.182333      0.948244
  N      -5.872804      1.396077     -0.107177
  C      -5.976922      0.053363      0.137234
  C      -5.907134     -0.853076     -0.950471
  C      -5.992559     -2.210586     -0.724904
  C      -6.148446     -2.717980      0.588499
  C      -6.226111     -1.857913      1.665023
  C      -6.148250     -0.456662      1.463888
  C      -3.805274      6.234229      5.944201
  C      -3.814639      7.509462      5.084021
  C      -4.169083      7.289219      3.614705
  C      -5.584503      6.857771      3.317122
  N      -6.461932      6.800882      4.309805
  C      -7.716942      6.351262      4.016800
  N      -8.163005      5.918927      2.858073
  C      -7.288348      5.999259      1.809053
  C      -7.715715      5.582940      0.522854
  C      -6.869826      5.705359     -0.561335
  C      -5.573388      6.255499     -0.405428
  C      -5.129022      6.650324      0.841280
  C      -5.966220      6.507559      1.979189
  C      -5.899561      2.955753      7.050065
  C      -6.770027      4.188779      7.323482
  C      -8.251550      3.819889      7.419845
  C      -8.906205      3.392959      6.124909
  N      -8.185362      3.431196      5.014096
  C      -8.784432      3.048597      3.847994
  N     -10.009931      2.595611      3.686585
  C     -10.782979      2.552431      4.819123
  C     -12.122235      2.097196      4.719790
  C     -12.927262      2.063661      5.841836
  C     -12.428366      2.479557      7.102107
  C     -11.124066      2.921973      7.227684
  C     -10.274393      2.965347      6.093107
  H      -3.518721      0.865315      3.244163
  H      -4.630251      1.917120      4.185238
  H      -5.057759     -0.166578      5.705419
  H      -4.529448     -1.074781      4.272073
  H      -6.955047     -0.747944      4.109497
  H      -6.806325      0.983815      4.476645
  H      -5.888732      3.261370      0.774821
  H      -5.787839     -0.443935     -1.954897
  H      -5.941972     -2.906348     -1.564398
  H      -6.213126     -3.795816      0.743739
  H      -6.352464     -2.255995      2.672874
  H      -4.822903      5.831888      5.978830
  H      -3.539792      6.516008      6.985552
  H      -2.825945      7.993872      5.130702
  H      -4.532278      8.209540      5.540526
  H      -3.977121      8.219883      3.051149
  H      -3.487741      6.534987      3.183495
  H      -8.414815      6.333078      4.860104
  H      -8.726317      5.182913      0.425977
  H      -7.202964      5.392635     -1.552166
  H      -4.930319      6.377475     -1.281161
  H      -4.146903      7.118091      0.944637
  H      -5.989902      2.262650      7.911789
  H      -6.316895      2.440224      6.173277
  H      -6.468284      4.658242      8.273996
  H      -6.614754      4.928660      6.524146
  H      -8.389985      3.011643      8.162927
  H      -8.825266      4.671482      7.823501
  H      -8.143049      3.124233      2.965772
  H     -12.489575      1.787803      3.736886
  H     -13.960946      1.717754      5.760457
  H     -13.081328      2.449492      7.977211
  H     -10.749134      3.241118      8.203897
  N      -2.795188      3.391336      3.337515
  N      -2.202921      3.408140      2.068759
  H      -2.656615      4.080909      1.421868
  H      -2.229212      2.494775      1.568919
  H      -1.192416      3.688681      2.097102
100
Coordinates from ORCA-job orca E -6259.435602399755
  N      -2.948212      1.314233      5.244219
  Mo     -3.460511      3.307339      5.061201
  N      -4.485647      3.192219      6.788277
  C      -3.652572      3.274750      7.990712
  C      -2.305741      2.600016      7.742095
  N      -1.707240      3.117632      6.472116
  C      -0.768809      2.156678      5.825186
  C      -1.545372      1.053602      5.058236
  C      -1.053387      4.447009      6.679251
  C      -1.489327      5.381924      5.547773
  N      -2.914359      5.209903      5.409627
  H      -1.248377      1.064132      3.988188
  H      -1.281748      0.058179      5.458191
  H      -0.167688      2.745752      5.121475
  H      -0.088470      1.740619      6.584428
  H      -1.217809      6.418944      5.806392
  H      -0.966289      5.125355      4.606095
  H      -1.430361      4.855567      7.626240
  H       0.035015      4.316027      6.772412
  H      -4.141246      2.763516      8.837779
  H      -3.506555      4.326976      8.304515
  H      -2.464272      1.525533      7.602913
  H      -1.598165      2.760714      8.571916
  C      -3.932213      0.982246      4.275150
  C      -4.937279     -0.126268      4.634241
  C      -6.318721      0.103131      3.984792
  C      -6.207222      0.459280      2.527416
  N      -6.138590      1.759263      2.243211
  C      -5.953192      2.111809      0.944335
  N      -5.834033      1.313870     -0.097491
  C      -5.921163     -0.027906      0.161970
  C      -5.815777     -0.945222     -0.911555
  C      -5.884912     -2.302135     -0.668109
  C      -6.058972     -2.793189      0.648549
  C      -6.170183     -1.921002      1.713005
  C      -6.109767     -0.521707      1.494807
  C      -3.776097      6.237936      5.963943
  C      -3.791080      7.525658      5.121540
  C      -4.171749      7.315518      3.658308
  C      -5.593799      6.902538      3.380448
  N      -6.461813      6.857533      4.383924
  C      -7.723093      6.435115      4.101175
  N      -8.190987      6.014256      2.946333
  C      -7.326031      6.072759      1.888880
  C      -7.770421      5.657498      0.609480
  C      -6.931110      5.759098     -0.482351
  C      -5.629362      6.290427     -0.339245
  C      -5.166956      6.686051      0.901983
  C      -5.993773      6.559683      2.047044
  C      -5.892419      2.929266      7.022217
  C      -6.759500      4.161616      7.308371
  C      -8.242236      3.805633      7.397629
  C      -8.885731      3.407542      6.094288
  N      -8.154711      3.464497      4.992505
  C      -8.741575      3.117367      3.816629
  N      -9.967179      2.686125      3.636258
  C     -10.751391      2.621790      4.756455
  C     -12.089621      2.186773      4.633378
  C     -12.904360      2.130927      5.744538
  C     -12.415490      2.503056      7.015464
  C     -11.112654      2.926474      7.164218
  C     -10.252614      2.993255      6.041954
  H      -3.538561      0.859131      3.247153
  H      -4.640591      1.900810      4.183357
  H      -5.046531     -0.171099      5.726145
  H      -4.518701     -1.089166      4.302175
  H      -6.942422     -0.788031      4.134170
  H      -6.813620      0.948715      4.484331
  H      -5.904242      3.189375      0.755358
  H      -5.683764     -0.547226     -1.919738
  H      -5.807579     -3.007801     -1.497100
  H      -6.110690     -3.869630      0.817600
  H      -6.310247     -2.307174      2.724507
  H      -4.795399      5.839350      6.012282
  H      -3.489380      6.507312      7.002333
  H      -2.797280      7.999540      5.151845
  H      -4.490634      8.230117      5.597923
  H      -3.975616      8.243611      3.092869
  H      -3.505588      6.553359      3.217718
  H      -8.413835      6.433347      4.950384
  H      -8.787260      5.274204      0.522000
  H      -7.276465      5.445526     -1.468884
  H      -4.994932      6.399796     -1.220648
  H      -4.181492      7.142867      0.994224
  H      -5.990362      2.224863      7.872908
  H      -6.305117      2.426678      6.136712
  H      -6.454101      4.618792      8.260738
  H      -6.601821      4.906583      6.516766
  H      -8.390916      2.991736      8.126309
  H      -8.810015      4.656244      7.810254
  H      -8.093867      3.200479      2.941757
  H     -12.448046      1.911215      3.642804
  H     -13.937253      1.800672      5.645495
  H     -13.075840      2.455044      7.881315
  H     -10.745426      3.212263      8.148551
  N      -2.920745      3.386988      3.264971
  N      -2.412767      3.362646      1.954800
  H      -2.908572      4.022760      1.330002
  H      -2.482043      2.432579      1.500598
  H      -1.410403      3.637051      1.928143
100
Coordinates from ORCA-job orca E -6259.439076155578
  N      -2.975181      1.332953      5.238046
  Mo     -3.453656      3.330954      5.039753
  N      -4.504902      3.226703      6.757016
  C      -3.682620      3.303469      7.967055
  C      -2.337940      2.611665      7.735672
  N      -1.715262      3.119369      6.473266
  C      -0.786873      2.142919      5.831602
  C      -1.573715      1.053866      5.053655
  C      -1.043361      4.438108      6.683490
  C      -1.455378      5.374573      5.542869
  N      -2.884316      5.227308      5.392027
  H      -1.272465      1.063868      3.984389
  H      -1.322160      0.052932      5.451177
  H      -0.167232      2.722441      5.134400
  H      -0.119207      1.710609      6.594472
  H      -1.168440      6.409241      5.796857
  H      -0.925422      5.105888      4.609205
  H      -1.421565      4.855682      7.626772
  H       0.044173      4.292297      6.785308
  H      -4.185456      2.797730      8.812237
  H      -3.529036      4.356106      8.280675
  H      -2.508854      1.537842      7.597835
  H      -1.640668      2.765495      8.575657
  C      -3.965874      0.998460      4.272922
  C      -4.971903     -0.110945      4.633778
  C      -6.349741      0.114688      3.971170
  C      -6.221947      0.475742      2.515652
  N      -6.173791      1.777698      2.236816
  C      -5.971240      2.137099      0.943040
  N      -5.811186      1.345138     -0.098522
  C      -5.879575      0.001359      0.154294
  C      -5.734772     -0.909440     -0.919206
  C      -5.786601     -2.267860     -0.681843
  C      -5.982012     -2.765630      0.628515
  C      -6.131024     -1.899884      1.693377
  C      -6.088831     -0.499457      1.481914
  C      -3.727777      6.259415      5.962494
  C      -3.731114      7.553332      5.131908
  C      -4.108446      7.342400      3.670255
  C      -5.527454      6.925364      3.394377
  N      -6.394273      6.882908      4.396184
  C      -7.651601      6.449903      4.118362
  N      -8.116011      6.008119      2.972453
  C      -7.250017      6.054919      1.917470
  C      -7.685013      5.604372      0.649178
  C      -6.843796      5.692079     -0.440051
  C      -5.551656      6.249653     -0.306310
  C      -5.097422      6.680951      0.924269
  C      -5.923816      6.563015      2.067809
  C      -5.912581      2.964228      6.976807
  C      -6.780051      4.199529      7.254837
  C      -8.260949      3.837558      7.366382
  C      -8.925402      3.411941      6.077928
  N      -8.218218      3.463811      4.958864
  C      -8.828157      3.089758      3.798378
  N     -10.054409      2.634743      3.650400
  C     -10.813403      2.571579      4.789385
  C     -12.149047      2.105821      4.702096
  C     -12.936889      2.048603      5.834366
  C     -12.423111      2.450427      7.090870
  C     -11.122115      2.904376      7.204602
  C     -10.288881      2.972470      6.060239
  H      -3.571275      0.866656      3.246061
  H      -4.665903      1.912436      4.163969
  H      -5.087829     -0.151525      5.725912
  H      -4.551981     -1.076439      4.310375
  H      -6.971191     -0.779831      4.111365
  H      -6.855185      0.956442      4.466108
  H      -5.944081      3.216748      0.757294
  H      -5.588255     -0.506211     -1.922575
  H      -5.679428     -2.968927     -1.511357
  H      -6.019883     -3.843005      0.792908
  H      -6.286961     -2.291487      2.699633
  H      -4.750798      5.871752      6.010672
  H      -3.433375      6.515567      7.001976
  H      -2.733715      8.019318      5.163962
  H      -4.423255      8.262000      5.610629
  H      -3.909411      8.266042      3.099690
  H      -3.442347      6.577695      3.237173
  H      -8.343654      6.456324      4.964525
  H      -8.696183      5.204559      0.567753
  H      -7.181349      5.350349     -1.418254
  H      -4.918809      6.352703     -1.187093
  H      -4.121790      7.161171      1.008046
  H      -6.019928      2.261094      7.828176
  H      -6.320145      2.460697      6.088392
  H      -6.463848      4.670372      8.198768
  H      -6.632903      4.934434      6.450499
  H      -8.393881      3.033566      8.112285
  H      -8.828387      4.692172      7.773747
  H      -8.201699      3.168403      2.906261
  H     -12.526549      1.807305      3.722202
  H     -13.967728      1.693514      5.763136
  H     -13.062203      2.400619      7.973978
  H     -10.735201      3.211569      8.177900
  N      -3.028397      3.398670      3.233767
  N      -2.595657      3.327645      1.897175
  H      -3.118212      3.979964      1.286943
  H      -2.709487      2.383529      1.481669
  H      -1.596515      3.584556      1.814498
100
Coordinates from ORCA-job orca E -6259.442428549118
  N      -2.995619      1.355585      5.214505
  Mo     -3.475775      3.347971      5.026925
  N      -4.517291      3.225457      6.745677
  C      -3.689478      3.294258      7.951740
  C      -2.344759      2.608906      7.710290
  N      -1.727717      3.128327      6.453343
  C      -0.805063      2.158398      5.795311
  C      -1.596772      1.078373      5.008862
  C      -1.058485      4.444211      6.673540
  C      -1.475402      5.383488      5.538933
  N      -2.906584      5.238888      5.385492
  H      -1.308128      1.100405      3.936697
  H      -1.338596      0.073708      5.390924
  H      -0.186940      2.741947      5.101166
  H      -0.134011      1.714700      6.547981
  H      -1.187799      6.417677      5.792731
  H      -0.945509      5.118258      4.605242
  H      -1.432579      4.854525      7.621294
  H       0.029400      4.304606      6.768139
  H      -4.184621      2.779977      8.794919
  H      -3.537712      4.343831      8.273740
  H      -2.513596      1.536551      7.565442
  H      -1.649546      2.758631      8.552850
  C      -4.003910      1.005653      4.269304
  C      -4.981324     -0.124119      4.639919
  C      -6.366630      0.074241      3.984059
  C      -6.247442      0.441215      2.529827
  N      -6.243535      1.744148      2.255240
  C      -6.042877      2.111845      0.965779
  N      -5.839189      1.327880     -0.075051
  C      -5.865135     -0.017450      0.172669
  C      -5.676987     -0.920582     -0.900013
  C      -5.688275     -2.279874     -0.667793
  C      -5.884842     -2.785539      0.636430
  C      -6.074159     -1.927692      1.700828
  C      -6.073866     -0.526469      1.495184
  C      -3.746548      6.259982      5.983837
  C      -3.737422      7.571365      5.180848
  C      -4.071443      7.377802      3.706332
  C      -5.474938      6.949203      3.375825
  N      -6.380222      6.880536      4.345050
  C      -7.623518      6.440420      4.013402
  N      -8.040337      6.009821      2.840125
  C      -7.131758      6.076883      1.818627
  C      -7.509789      5.631478      0.526418
  C      -6.624089      5.740554     -0.529797
  C      -5.343972      6.316083     -0.340391
  C      -4.944620      6.742103      0.915033
  C      -5.816433      6.600252      2.027807
  C      -5.919360      2.948523      6.967901
  C      -6.786216      4.177032      7.271878
  C      -8.265799      3.812072      7.402830
  C      -8.949132      3.392654      6.122473
  N      -8.258183      3.448325      4.993262
  C      -8.887215      3.080832      3.841592
  N     -10.118452      2.631634      3.711017
  C     -10.859861      2.564385      4.861362
  C     -12.198246      2.103529      4.794196
  C     -12.967607      2.042369      5.939674
  C     -12.432244      2.435239      7.189367
  C     -11.128255      2.883667      7.283431
  C     -10.313381      2.955481      6.125191
  H      -3.622010      0.873787      3.237246
  H      -4.707939      1.906191      4.163643
  H      -5.088312     -0.166517      5.732560
  H      -4.547337     -1.082261      4.314428
  H      -6.967524     -0.834159      4.121494
  H      -6.889705      0.902839      4.481263
  H      -6.056806      3.192202      0.781615
  H      -5.531716     -0.511515     -1.898727
  H      -5.548589     -2.974740     -1.497256
  H      -5.891045     -3.863295      0.797405
  H      -6.230417     -2.325815      2.701911
  H      -4.771429      5.874660      6.018751
  H      -3.455627      6.490600      7.030455
  H      -2.741601      8.038640      5.240676
  H      -4.438288      8.272706      5.657714
  H      -3.859837      8.309691      3.151575
  H      -3.385675      6.621584      3.286923
  H      -8.349944      6.428190      4.832970
  H      -8.513268      5.219637      0.399862
  H      -6.918198      5.402842     -1.526283
  H      -4.677355      6.440163     -1.198316
  H      -3.979043      7.238677      1.040785
  H      -6.019941      2.231464      7.807489
  H      -6.333321      2.460080      6.073953
  H      -6.454162      4.640861      8.213404
  H      -6.651070      4.917130      6.470987
  H      -8.387544      3.003814      8.146132
  H      -8.826903      4.664754      7.821706
  H      -8.275849      3.157045      2.938952
  H     -12.592247      1.811573      3.819280
  H     -14.000239      1.691267      5.884032
  H     -13.056795      2.382969      8.083261
  H     -10.724291      3.184650      8.251289
  N      -3.190243      3.438073      3.204086
  N      -2.869544      3.337575      1.832680
  H      -3.445678      3.979506      1.258785
  H      -3.019873      2.381930      1.454091
  H      -1.877890      3.589746      1.666821
100
Coordinates from ORCA-job orca E -6259.446069899659
  N      -3.018513      1.384679      5.180573
  Mo     -3.488992      3.376709      5.014454
  N      -4.521338      3.237464      6.730354
  C      -3.689583      3.288698      7.935557
  C      -2.347979      2.597405      7.684827
  N      -1.731317      3.127805      6.432136
  C      -0.819368      2.158605      5.756826
  C      -1.624435      1.096275      4.957695
  C      -1.056394      4.438956      6.664231
  C      -1.471745      5.388836      5.538584
  N      -2.906429      5.254294      5.383228
  H      -1.344800      1.132487      3.883258
  H      -1.371109      0.083603      5.321990
  H      -0.196481      2.743600      5.067855
  H      -0.150294      1.696619      6.500482
  H      -1.177677      6.420673      5.794505
  H      -0.946568      5.126398      4.601547
  H      -1.423856      4.841185      7.617667
  H       0.032860      4.298915      6.750462
  H      -4.184286      2.768155      8.775163
  H      -3.532137      4.333740      8.266509
  H      -2.521893      1.527445      7.532164
  H      -1.655256      2.736315      8.531551
  C      -4.047491      1.025500      4.254212
  C      -5.003176     -0.121627      4.629686
  C      -6.394461      0.048843      3.974432
  C      -6.278830      0.408044      2.517378
  N      -6.316628      1.707377      2.229023
  C      -6.107940      2.069797      0.938551
  N      -5.849298      1.284039     -0.090465
  C      -5.835820     -0.059645      0.170701
  C      -5.592043     -0.967093     -0.888657
  C      -5.567867     -2.324656     -0.643613
  C      -5.782962     -2.825032      0.660774
  C      -6.022699     -1.963212      1.712347
  C      -6.058800     -0.562991      1.493662
  C      -3.741112      6.265664      6.012730
  C      -3.732684      7.593387      5.234144
  C      -4.044688      7.419583      3.750198
  C      -5.436519      6.978124      3.388028
  N      -6.363884      6.897808      4.335082
  C      -7.597339      6.447803      3.972748
  N      -7.982148      6.014847      2.787198
  C      -7.046887      6.088166      1.790306
  C      -7.385744      5.633969      0.488566
  C      -6.471299      5.742213     -0.542818
  C      -5.199697      6.327688     -0.321034
  C      -4.839521      6.765794      0.942747
  C      -5.741918      6.623711      2.032149
  C      -5.923581      2.953208      6.948151
  C      -6.790199      4.178853      7.271603
  C      -8.268876      3.814620      7.415578
  C      -8.964951      3.399717      6.140763
  N      -8.285805      3.459636      5.005025
  C      -8.926634      3.089452      3.861082
  N     -10.159379      2.640365      3.742336
  C     -10.887026      2.570335      4.900098
  C     -12.224364      2.106529      4.847471
  C     -12.979399      2.039676      6.001272
  C     -12.430637      2.429950      7.245528
  C     -11.127714      2.880840      7.325513
  C     -10.327299      2.958660      6.158096
  H      -3.676230      0.890911      3.217693
  H      -4.748543      1.920226      4.158467
  H      -5.106607     -0.165936      5.722912
  H      -4.555349     -1.073419      4.303553
  H      -6.975220     -0.872738      4.113355
  H      -6.936771      0.868028      4.466486
  H      -6.160927      3.147080      0.741236
  H      -5.434501     -0.562557     -1.888571
  H      -5.386581     -3.022128     -1.463401
  H      -5.762156     -3.901867      0.832629
  H      -6.192512     -2.357842      2.713873
  H      -4.767854      5.882361      6.041732
  H      -3.444809      6.469739      7.063125
  H      -2.737998      8.062794      5.308405
  H      -4.440322      8.284121      5.718546
  H      -3.830994      8.359162      3.208349
  H      -3.344001      6.672405      3.336227
  H      -8.345361      6.427919      4.772645
  H      -8.382110      5.214470      0.335053
  H      -6.735552      5.395350     -1.544660
  H      -4.510282      6.452675     -1.161005
  H      -3.882089      7.272161      1.092838
  H      -6.024410      2.221372      7.775189
  H      -6.339306      2.482525      6.044963
  H      -6.446700      4.637470      8.212136
  H      -6.661030      4.922530      6.472333
  H      -8.383696      3.002646      8.156314
  H      -8.823752      4.667570      7.842014
  H      -8.326490      3.162230      2.951545
  H     -12.628701      1.815440      3.876549
  H     -14.010816      1.685853      5.956821
  H     -13.043780      2.373185      8.146394
  H     -10.712782      3.179945      8.289074
  N      -3.328765      3.502591      3.185058
  N      -3.145160      3.374683      1.787430
  H      -3.774324      4.012083      1.263674
  H      -3.334166      2.411067      1.443161
  H      -2.171482      3.617796      1.522709
100
Coordinates from ORCA-job orca E -6259.450166119889
  N      -3.026328      1.425781      5.144313
  Mo     -3.496196      3.416108      5.010686
  N      -4.520357      3.250591      6.716317
  C      -3.689616      3.278868      7.925418
  C      -2.348321      2.585302      7.667229
  N      -1.730466      3.134844      6.421927
  C      -0.823141      2.172714      5.729434
  C      -1.635973      1.128837      4.911483
  C      -1.057626      4.444410      6.673241
  C      -1.470371      5.407751      5.558310
  N      -2.906768      5.277096      5.392522
  H      -1.359767      1.183686      3.836473
  H      -1.388480      0.107859      5.256466
  H      -0.195033      2.763317      5.049671
  H      -0.157866      1.692923      6.465935
  H      -1.176095      6.437745      5.820312
  H      -0.946505      5.152873      4.618225
  H      -1.424588      4.832389      7.632687
  H       0.033452      4.309186      6.754324
  H      -4.186937      2.747672      8.756678
  H      -3.529986      4.317697      8.269678
  H      -2.522885      1.518111      7.501248
  H      -1.661808      2.711111      8.521258
  C      -4.072137      1.053623      4.232763
  C      -4.997223     -0.117341      4.609953
  C      -6.403090      0.007068      3.973767
  C      -6.329454      0.359182      2.513206
  N      -6.450313      1.648991      2.209413
  C      -6.288930      2.003921      0.912434
  N      -5.991814      1.221584     -0.108346
  C      -5.894108     -0.114787      0.169315
  C      -5.610213     -1.022155     -0.879994
  C      -5.507960     -2.372823     -0.620706
  C      -5.683000     -2.867633      0.688866
  C      -5.958173     -2.005968      1.730488
  C      -6.072295     -0.611763      1.497400
  C      -3.746474      6.276994      6.041727
  C      -3.729828      7.618908      5.287342
  C      -3.999326      7.464217      3.791605
  C      -5.375014      7.012059      3.383123
  N      -6.331920      6.929042      4.297258
  C      -7.553789      6.474444      3.893155
  N      -7.897539      6.039302      2.694136
  C      -6.927227      6.111924      1.732924
  C      -7.217624      5.650120      0.420617
  C      -6.265868      5.748132     -0.575473
  C      -5.001662      6.332404     -0.309556
  C      -4.690343      6.781858      0.963467
  C      -5.633560      6.649960      2.018566
  C      -5.924639      2.954765      6.920561
  C      -6.797592      4.171085      7.270426
  C      -8.273518      3.800435      7.424877
  C      -8.985339      3.399144      6.154875
  N      -8.323581      3.479827      5.010356
  C      -8.979804      3.116812      3.874130
  N     -10.212498      2.662151      3.768552
  C     -10.920874      2.572658      4.936213
  C     -12.255793      2.099403      4.900204
  C     -12.991073      2.009955      6.064320
  C     -12.424958      2.387097      7.303722
  C     -11.124639      2.847161      7.367656
  C     -10.344134      2.947664      6.188804
  H      -3.708081      0.918655      3.192556
  H      -4.772523      1.943526      4.153952
  H      -5.088962     -0.168289      5.704044
  H      -4.529148     -1.056783      4.276318
  H      -6.945193     -0.936711      4.121816
  H      -6.969134      0.805264      4.472276
  H      -6.417940      3.071681      0.700017
  H      -5.486857     -0.622732     -1.884657
  H      -5.296839     -3.069617     -1.433178
  H      -5.602011     -3.939642      0.872926
  H      -6.096049     -2.397179      2.735990
  H      -4.774762      5.895820      6.050638
  H      -3.457077      6.454049      7.097954
  H      -2.738485      8.090799      5.389780
  H      -4.452240      8.296792      5.767369
  H      -3.776989      8.410183      3.265781
  H      -3.280496      6.725764      3.394667
  H      -8.329509      6.452374      4.664604
  H      -8.207349      5.231020      0.230718
  H      -6.493886      5.393125     -1.583403
  H      -4.281060      6.449489     -1.122844
  H      -3.739077      7.286979      1.147827
  H      -6.024533      2.202129      7.728825
  H      -6.335871      2.507294      6.002989
  H      -6.446049      4.617560      8.213998
  H      -6.676202      4.925714      6.479842
  H      -8.376838      2.977823      8.154917
  H      -8.824276      4.647431      7.867797
  H      -8.395023      3.201381      2.955607
  H     -12.673773      1.818017      3.932901
  H     -14.020314      1.647943      6.032556
  H     -13.022566      2.312495      8.213492
  H     -10.695645      3.136038      8.327369
  N      -3.432250      3.594654      3.178102
  N      -3.412747      3.446633      1.770804
  H      -4.096304      4.081451      1.313511
  H      -3.634239      2.477897      1.458713
  H      -2.477756      3.685387      1.394503
100
Coordinates from ORCA-job orca E -6259.454166465643
  N      -3.045525      1.468621      5.096281
  Mo     -3.504703      3.461500      5.005341
  N      -4.519490      3.272611      6.700664
  C      -3.688120      3.270284      7.912357
  C      -2.351270      2.568149      7.642925
  N      -1.729603      3.135657      6.406108
  C      -0.832568      2.176959      5.694200
  C      -1.659452      1.156999      4.856206
  C      -1.051067      4.439836      6.677856
  C      -1.457941      5.422058      5.577594
  N      -2.895927      5.303047      5.404412
  H      -1.383292      1.231599      3.782514
  H      -1.423911      0.126135      5.180079
  H      -0.197177      2.772589      5.025512
  H      -0.173586      1.676271      6.422294
  H      -1.158069      6.448001      5.849236
  H      -0.938533      5.174932      4.632663
  H      -1.414820      4.812790      7.644642
  H       0.040667      4.300526      6.753422
  H      -4.192425      2.730161      8.733416
  H      -3.519372      4.301849      8.271858
  H      -2.531638      1.504592      7.459492
  H      -1.666861      2.675067      8.501205
  C      -4.107989      1.092006      4.195649
  C      -5.013891     -0.092063      4.573833
  C      -6.423430      0.006489      3.942637
  C      -6.361721      0.335411      2.475165
  N      -6.513716      1.614507      2.134830
  C      -6.357312      1.941959      0.824912
  N      -6.024285      1.145734     -0.172993
  C      -5.891254     -0.181345      0.143301
  C      -5.566223     -1.105567     -0.879806
  C      -5.433222     -2.447996     -0.583814
  C      -5.617570     -2.919328      0.738578
  C      -5.929692     -2.040334      1.754714
  C      -6.073706     -0.653060      1.483458
  C      -3.736370      6.293408      6.071219
  C      -3.716928      7.644075      5.333919
  C      -3.960537      7.501673      3.832276
  C      -5.323984      7.031800      3.404391
  N      -6.291250      6.947666      4.304021
  C      -7.504340      6.480986      3.885157
  N      -7.826875      6.037706      2.686059
  C      -6.843236      6.108758      1.741749
  C      -7.109800      5.633862      0.430480
  C      -6.142686      5.718944     -0.548604
  C      -4.882792      6.302870     -0.266365
  C      -4.596685      6.769098      1.003972
  C      -5.559150      6.652816      2.040658
  C      -5.927227      2.973600      6.893599
  C      -6.801980      4.181957      7.267303
  C      -8.273912      3.805179      7.428181
  C      -8.991548      3.407108      6.160674
  N      -8.337468      3.493806      5.012273
  C      -8.997235      3.125805      3.880163
  N     -10.227063      2.666195      3.780205
  C     -10.926442      2.572014      4.952009
  C     -12.257164      2.091585      4.923185
  C     -12.983463      1.994620      6.090759
  C     -12.412547      2.371512      7.327938
  C     -11.116736      2.838788      7.385106
  C     -10.345630      2.947109      6.202039
  H      -3.750606      0.959824      3.151335
  H      -4.807443      1.982161      4.137484
  H      -5.103733     -0.143996      5.669086
  H      -4.532885     -1.025162      4.239238
  H      -6.946505     -0.947638      4.102205
  H      -7.003385      0.799448      4.434894
  H      -6.518127      2.999267      0.579917
  H      -5.437777     -0.724649     -1.895336
  H      -5.190995     -3.157989     -1.376204
  H      -5.513429     -3.985775      0.951819
  H      -6.073930     -2.414271      2.770295
  H      -4.765759      5.915494      6.067581
  H      -3.448006      6.447591      7.129977
  H      -2.729700      8.119944      5.455902
  H      -4.452919      8.309213      5.809591
  H      -3.743197      8.452466      3.315506
  H      -3.226029      6.774747      3.445417
  H      -8.290349      6.456722      4.644315
  H      -8.095335      5.213768      0.226848
  H      -6.353262      5.352052     -1.554317
  H      -4.147050      6.407110     -1.065313
  H      -3.647392      7.269539      1.202801
  H      -6.026235      2.201591      7.683249
  H      -6.334009      2.548735      5.963433
  H      -6.445487      4.617297      8.214215
  H      -6.686683      4.946615      6.485038
  H      -8.368811      2.976363      8.152232
  H      -8.823576      4.648604      7.880554
  H      -8.417544      3.209920      2.958727
  H     -12.679238      1.809937      3.958062
  H     -14.009341      1.626588      6.064432
  H     -13.003240      2.290811      8.240916
  H     -10.683885      3.127685      8.342946
  N      -3.529289      3.698453      3.176614
  N      -3.698918      3.536896      1.784258
  H      -4.431293      4.173212      1.410053
  H      -3.956360      2.567645      1.503028
  H      -2.823583      3.770906      1.283149
100
Coordinates from ORCA-job orca E -6259.457922659390
  N      -3.044022      1.521636      5.037568
  Mo     -3.496945      3.515030      5.003369
  N      -4.511095      3.293240      6.682320
  C      -3.685162      3.252969      7.899120
  C      -2.351085      2.547283      7.620226
  N      -1.719207      3.140557      6.400776
  C      -0.826780      2.193044      5.668784
  C      -1.659239      1.202017      4.798179
  C      -1.038158      4.436217      6.704931
  C      -1.434469      5.444334      5.623803
  N      -2.871766      5.337853      5.435086
  H      -1.374285      1.304689      3.729619
  H      -1.434903      0.160604      5.095322
  H      -0.181773      2.800652      5.020171
  H      -0.177093      1.668589      6.388280
  H      -1.131070      6.463735      5.915471
  H      -0.912792      5.212472      4.676380
  H      -1.405134      4.787178      7.678800
  H       0.052952      4.291081      6.782423
  H      -4.201176      2.699412      8.703158
  H      -3.509028      4.274670      8.281410
  H      -2.535118      1.489181      7.409812
  H      -1.671001      2.629639      8.484529
  C      -4.116201      1.147275      4.138679
  C      -5.001185     -0.049471      4.519187
  C      -6.420719      0.005729      3.910081
  C      -6.410715      0.276912      2.429986
  N      -6.637991      1.526832      2.027309
  C      -6.549278      1.785638      0.693992
  N      -6.207019      0.954383     -0.270365
  C      -5.990680     -0.344395      0.112527
  C      -5.648626     -1.305797     -0.870966
  C      -5.438973     -2.622380     -0.508861
  C      -5.562676     -3.031037      0.842487
  C      -5.889549     -2.113313      1.820020
  C      -6.107713     -0.750080      1.480531
  C      -3.716560      6.314556      6.116509
  C      -3.693714      7.675640      5.401610
  C      -3.912600      7.550176      3.894830
  C      -5.266404      7.067773      3.451754
  N      -6.239651      6.978369      4.343252
  C      -7.448468      6.512132      3.912870
  N      -7.762340      6.081151      2.709713
  C      -6.772448      6.156530      1.773474
  C      -7.030892      5.694362      0.456902
  C      -6.055828      5.777029     -0.514007
  C      -4.792833      6.342548     -0.215771
  C      -4.515752      6.797520      1.059243
  C      -5.489540      6.689878      2.084641
  C      -5.922807      2.993699      6.853951
  C      -6.799307      4.192455      7.248864
  C      -8.267220      3.807091      7.405672
  C      -8.981770      3.419796      6.134627
  N      -8.329586      3.525500      4.986438
  C      -8.983687      3.158500      3.851330
  N     -10.207190      2.686639      3.747472
  C     -10.905101      2.574631      4.918534
  C     -12.229024      2.078196      4.885660
  C     -12.953101      1.960432      6.051821
  C     -12.386916      2.332184      7.292408
  C     -11.098020      2.814997      7.353589
  C     -10.329418      2.944434      6.171939
  H      -3.761637      1.027725      3.091193
  H      -4.819900      2.036189      4.103827
  H      -5.080444     -0.096224      5.616017
  H      -4.505689     -0.976071      4.186968
  H      -6.912574     -0.958281      4.107795
  H      -7.012348      0.795984      4.394812
  H      -6.778206      2.816010      0.396128
  H      -5.570583     -0.973345     -1.909178
  H      -5.183667     -3.362556     -1.269923
  H      -5.399900     -4.078391      1.107703
  H      -5.986369     -2.440077      2.857785
  H      -4.746082      5.938810      6.095767
  H      -3.434648      6.444041      7.179596
  H      -2.712696      8.156697      5.547705
  H      -4.445136      8.326743      5.872163
  H      -3.702032      8.509052      3.391408
  H      -3.164776      6.836508      3.509696
  H      -8.237982      6.481975      4.667705
  H      -8.018310      5.285992      0.241293
  H      -6.260395      5.418907     -1.523522
  H      -4.047163      6.439031     -1.005248
  H      -3.559962      7.273129      1.273997
  H      -6.026141      2.200204      7.620838
  H      -6.318736      2.594740      5.908689
  H      -6.444906      4.613550      8.202376
  H      -6.686525      4.970398      6.479608
  H      -8.357089      2.968762      8.117849
  H      -8.820356      4.641298      7.870942
  H      -8.402610      3.253680      2.931561
  H     -12.647812      1.800237      3.918630
  H     -13.973711      1.579329      6.022563
  H     -12.975989      2.234819      8.204302
  H     -10.669027      3.099496      8.313937
  N      -3.583234      3.821258      3.185525
  N      -3.926923      3.666501      1.832008
  H      -4.695893      4.306104      1.547577
  H      -4.212200      2.700242      1.570830
  H      -3.125544      3.905642      1.224669
100
Coordinates from ORCA-job orca E -6259.461656421835
  N      -3.037056      1.564040      5.002033
  Mo     -3.484831      3.553693      5.007670
  N      -4.508924      3.311995      6.671807
  C      -3.694021      3.247719      7.894682
  C      -2.359806      2.540986      7.616371
  N      -1.709875      3.146521      6.413796
  C      -0.819809      2.202380      5.675447
  C      -1.651213      1.234261      4.775412
  C      -1.025521      4.432122      6.740678
  C      -1.403252      5.454138      5.665228
  N      -2.838917      5.363986      5.456100
  H      -1.349374      1.354693      3.714171
  H      -1.439699      0.185356      5.056273
  H      -0.160406      2.814210      5.045500
  H      -0.184265      1.657583      6.392649
  H      -1.094120      6.468631      5.967452
  H      -0.872334      5.224337      4.723128
  H      -1.399955      4.774396      7.715390
  H       0.063292      4.278936      6.827153
  H      -4.223492      2.686533      8.685291
  H      -3.514310      4.264090      8.291898
  H      -2.546908      1.486025      7.388182
  H      -1.688056      2.607482      8.488363
  C      -4.112636      1.186994      4.104660
  C      -4.976818     -0.016723      4.495283
  C      -6.397950      0.026489      3.897278
  C      -6.413807      0.273137      2.413342
  N      -6.667925      1.511140      1.990604
  C      -6.624360      1.738574      0.649172
  N      -6.299236      0.892345     -0.303298
  C      -6.046289     -0.392131      0.101208
  C      -5.715125     -1.364944     -0.869860
  C      -5.473132     -2.668478     -0.486752
  C      -5.553871     -3.050258      0.874024
  C      -5.871049     -2.119949      1.840205
  C      -6.118736     -0.769432      1.479560
  C      -3.681201      6.342498      6.130021
  C      -3.650604      7.701777      5.414141
  C      -3.857053      7.565271      3.906586
  C      -5.208490      7.073966      3.465563
  N      -6.185216      7.004429      4.354961
  C      -7.394301      6.540976      3.930771
  N      -7.713311      6.101770      2.735092
  C      -6.724148      6.156620      1.797012
  C      -6.988389      5.684826      0.486573
  C      -6.012308      5.746357     -0.485976
  C      -4.742349      6.293922     -0.191579
  C      -4.458409      6.753961      1.079468
  C      -5.433517      6.677291      2.103449
  C      -5.920773      3.009049      6.822310
  C      -6.802510      4.203073      7.219927
  C      -8.268916      3.808983      7.371858
  C      -8.984730      3.420193      6.100433
  N      -8.341886      3.541788      4.947637
  C      -8.997243      3.170190      3.813727
  N     -10.215007      2.680886      3.716247
  C     -10.905972      2.553141      4.890275
  C     -12.223847      2.036190      4.862354
  C     -12.938907      1.900588      6.032779
  C     -12.369653      2.275065      7.272099
  C     -11.086522      2.778871      7.328216
  C     -10.326512      2.926060      6.142613
  H      -3.758274      1.074752      3.056967
  H      -4.822647      2.069546      4.083582
  H      -5.050696     -0.054915      5.592845
  H      -4.474580     -0.941265      4.169324
  H      -6.885395     -0.935833      4.113095
  H      -6.986147      0.819982      4.380346
  H      -6.880379      2.756702      0.333745
  H      -5.672683     -1.051969     -1.913856
  H      -5.225537     -3.419310     -1.237209
  H      -5.366901     -4.087592      1.155760
  H      -5.935296     -2.428483      2.883733
  H      -4.712743      5.973447      6.101551
  H      -3.404102      6.467203      7.194415
  H      -2.674014      8.186565      5.572218
  H      -4.410831      8.352092      5.869623
  H      -3.650828      8.522192      3.398771
  H      -3.104372      6.854235      3.528578
  H      -8.181334      6.525956      4.687555
  H      -7.981743      5.288678      0.274700
  H      -6.220955      5.381977     -1.492011
  H      -3.993002      6.364849     -0.978343
  H      -3.490350      7.195118      1.296032
  H      -6.031292      2.203804      7.576128
  H      -6.301942      2.621661      5.866212
  H      -6.452259      4.621093      8.177100
  H      -6.692609      4.986572      6.455204
  H      -8.352179      2.967406      8.081323
  H      -8.827352      4.637473      7.841490
  H      -8.422554      3.276745      2.890932
  H     -12.644849      1.756461      3.896538
  H     -13.954746      1.502562      6.007976
  H     -12.951623      2.163286      8.187125
  H     -10.655719      3.064844      8.287577
  N      -3.636307      3.900892      3.190094
  N      -4.139087      3.738495      1.891379
  H      -4.935548      4.375865      1.695900
  H      -4.452426      2.772615      1.673111
  H      -3.418186      3.978388      1.190888
100
Coordinates from ORCA-job orca E -6259.465568154690
  N      -2.998113      1.563871      4.986753
  Mo     -3.448284      3.546968      5.015544
  N      -4.489701      3.304109      6.669706
  C      -3.687921      3.230672      7.898996
  C      -2.352280      2.523875      7.629989
  N      -1.680991      3.129878      6.441239
  C      -0.788397      2.184615      5.708260
  C      -1.609048      1.228594      4.783981
  C      -0.995939      4.408248      6.779527
  C      -1.353494      5.435566      5.700724
  N      -2.785242      5.358070      5.472058
  H      -1.284389      1.358700      3.731807
  H      -1.407468      0.176030      5.058317
  H      -0.115606      2.798270      5.094695
  H      -0.167441      1.628721      6.429679
  H      -1.040077      6.446427      6.009998
  H      -0.809594      5.202687      4.767620
  H      -1.381625      4.751119      7.750191
  H       0.088849      4.245698      6.881711
  H      -4.232263      2.669994      8.680596
  H      -3.506068      4.245996      8.302100
  H      -2.540374      1.469855      7.392722
  H      -1.688139      2.583941      8.508168
  C      -4.067321      1.181165      4.085515
  C      -4.918302     -0.018743      4.499480
  C      -6.335613      0.030012      3.900338
  C      -6.363984      0.241042      2.410913
  N      -6.611385      1.472272      1.966772
  C      -6.603085      1.663674      0.617428
  N      -6.317508      0.791011     -0.320318
  C      -6.060754     -0.483328      0.107191
  C      -5.763769     -1.476371     -0.850076
  C      -5.522455     -2.770446     -0.443623
  C      -5.571658     -3.118928      0.926842
  C      -5.857128     -2.167251      1.881029
  C      -6.100140     -0.826472      1.496969
  C      -3.629557      6.338267      6.131158
  C      -3.629050      7.698652      5.413868
  C      -3.875212      7.579448      3.910021
  C      -5.238913      7.093999      3.500318
  N      -6.195544      7.020957      4.412085
  C      -7.417505      6.579684      4.012210
  N      -7.777869      6.174418      2.819475
  C      -6.815775      6.233939      1.853389
  C      -7.123694      5.798646      0.542265
  C      -6.171460      5.865337     -0.454742
  C      -4.883327      6.372015     -0.178208
  C      -4.554726      6.789951      1.095464
  C      -5.504361      6.722342      2.138592
  C      -5.902549      3.008496      6.798119
  C      -6.776667      4.210041      7.184168
  C      -8.247777      3.826831      7.317606
  C      -8.948187      3.442133      6.036009
  N      -8.292151      3.563665      4.889513
  C      -8.931637      3.194288      3.744937
  N     -10.147334      2.705692      3.634052
  C     -10.855629      2.578600      4.799015
  C     -12.173480      2.063132      4.753360
  C     -12.903978      1.929224      5.916299
  C     -12.350657      2.304333      7.163638
  C     -11.067249      2.806802      7.236589
  C     -10.291071      2.951579      6.060173
  H      -3.706774      1.072598      3.041716
  H      -4.790579      2.053610      4.065519
  H      -4.994204     -0.034007      5.597344
  H      -4.414004     -0.948924      4.195899
  H      -6.842437     -0.915309      4.142097
  H      -6.905649      0.844638      4.369052
  H      -6.856210      2.676219      0.284711
  H      -5.747277     -1.186443     -1.899497
  H      -5.300079     -3.539389     -1.181756
  H      -5.386939     -4.149187      1.226643
  H      -5.898028     -2.453347      2.930345
  H      -4.658522      5.959789      6.115290
  H      -3.342133      6.472712      7.191845
  H      -2.657575      8.195685      5.560346
  H      -4.393941      8.334515      5.882236
  H      -3.693596      8.548936      3.416852
  H      -3.130920      6.882482      3.492287
  H      -8.179322      6.558993      4.793959
  H      -8.130761      5.428576      0.348482
  H      -6.412515      5.531075     -1.463273
  H      -4.150115      6.435275     -0.978330
  H      -3.563350      7.170490      1.305409
  H      -6.032120      2.199699      7.545269
  H      -6.267502      2.626143      5.834322
  H      -6.434368      4.625520      8.145206
  H      -6.654974      4.994257      6.422074
  H      -8.344646      2.987514      8.028234
  H      -8.808963      4.656850      7.780610
  H      -8.344141      3.301572      2.829864
  H     -12.582006      1.783107      3.781736
  H     -13.919816      1.532060      5.878768
  H     -12.944829      2.194282      8.071694
  H     -10.649853      3.093103      8.202304
  N      -3.634718      3.906735      3.196201
  N      -4.262406      3.730820      1.958456
  H      -5.073681      4.366559      1.838923
  H      -4.597127      2.764329      1.788995
  H      -3.618895      3.967159      1.185003
100
Coordinates from ORCA-job orca E -6259.469710920024
  N      -2.974902      1.596683      4.949335
  Mo     -3.429502      3.567000      5.019014
  N      -4.472869      3.309679      6.667786
  C      -3.673644      3.219387      7.895702
  C      -2.340645      2.513813      7.622109
  N      -1.659420      3.130707      6.448007
  C      -0.770202      2.192124      5.705311
  C      -1.586377      1.257172      4.756276
  C      -0.970733      4.399707      6.804190
  C      -1.315705      5.438233      5.732388
  N      -2.745634      5.372988      5.492496
  H      -1.249628      1.403163      3.710647
  H      -1.393630      0.199578      5.014416
  H      -0.089447      2.811824      5.107857
  H      -0.157858      1.618701      6.419516
  H      -0.997709      6.443986      6.053141
  H      -0.764180      5.210251      4.802985
  H      -1.359794      4.736192      7.775101
  H       0.111774      4.231030      6.913156
  H      -4.222616      2.652506      8.667096
  H      -3.488244      4.228277      8.311721
  H      -2.531726      1.464502      7.370139
  H      -1.680164      2.559872      8.504458
  C      -4.044230      1.208838      4.050140
  C      -4.879918      0.003373      4.478330
  C      -6.294700      0.060326      3.869925
  C      -6.317112      0.224333      2.373604
  N      -6.532512      1.450020      1.896522
  C      -6.541743      1.599105      0.540820
  N      -6.298000      0.687930     -0.372331
  C      -6.063778     -0.579210      0.090017
  C      -5.804016     -1.608271     -0.840971
  C      -5.590171     -2.895571     -0.397363
  C      -5.631812     -3.199227      0.982894
  C      -5.880622     -2.211660      1.912492
  C      -6.091817     -0.877265      1.491055
  C      -3.588505      6.356354      6.149915
  C      -3.599205      7.716569      5.432762
  C      -3.873517      7.591626      3.934463
  C      -5.249253      7.107614      3.557762
  N      -6.189672      7.044967      4.491439
  C      -7.425049      6.611524      4.123259
  N      -7.818998      6.207761      2.938015
  C      -6.876630      6.253163      1.947417
  C      -7.218219      5.814303      0.644507
  C      -6.284109      5.867646     -0.374470
  C      -4.981384      6.359017     -0.127960
  C      -4.618886      6.776826      1.138220
  C      -5.548447      6.729185      2.203641
  C      -5.885367      3.015624      6.780416
  C      -6.755299      4.217446      7.164414
  C      -8.231038      3.838723      7.279214
  C      -8.909101      3.455483      5.985317
  N      -8.230585      3.575202      4.852673
  C      -8.848083      3.205714      3.695953
  N     -10.061703      2.718170      3.562354
  C     -10.794002      2.594262      4.712114
  C     -12.111302      2.082412      4.640554
  C     -12.864965      1.952338      5.789688
  C     -12.335961      2.327492      7.046867
  C     -11.053013      2.826334      7.144613
  C     -10.253217      2.967385      5.983445
  H      -3.684820      1.110659      3.006396
  H      -4.780754      2.065968      4.041301
  H      -4.959704      0.003443      5.575242
  H      -4.372263     -0.930163      4.192765
  H      -6.829786     -0.861698      4.138664
  H      -6.845522      0.903027      4.311154
  H      -6.770662      2.609848      0.182480
  H      -5.793543     -1.350673     -1.898714
  H      -5.396034     -3.693023     -1.114170
  H      -5.471045     -4.225164      1.312493
  H      -5.917076     -2.465853      2.970123
  H      -4.619264      5.979735      6.146796
  H      -3.291317      6.493308      7.208594
  H      -2.628411      8.217602      5.568493
  H      -4.362320      8.352048      5.906242
  H      -3.707731      8.563630      3.437899
  H      -3.137544      6.897432      3.496715
  H      -8.167447      6.597209      4.926722
  H      -8.234631      5.453827      0.475562
  H      -6.551367      5.533532     -1.377575
  H      -4.260411      6.407671     -0.945268
  H      -3.609148      7.131405      1.328892
  H      -6.028806      2.200168      7.516786
  H      -6.241871      2.643312      5.809335
  H      -6.419046      4.629249      8.128627
  H      -6.624149      5.003107      6.406367
  H      -8.341285      3.000100      7.989398
  H      -8.798112      4.669632      7.732581
  H      -8.242621      3.308715      2.792542
  H     -12.500931      1.802312      3.661382
  H     -13.880220      1.558296      5.732720
  H     -12.948094      2.220856      7.943219
  H     -10.655150      3.113387      8.118188
  N      -3.677944      3.955189      3.216477
  N      -4.422565      3.774821      2.041358
  H      -5.247175      4.406920      2.011270
  H      -4.777677      2.804231      1.917701
  H      -3.861801      4.013406      1.203727
100
Coordinates from ORCA-job orca E -6259.473955202403
  N      -2.954302      1.622847      4.926382
  Mo     -3.414130      3.577983      5.029622
  N      -4.442768      3.314735      6.681289
  C      -3.638456      3.214538      7.903681
  C      -2.310139      2.504962      7.619405
  N      -1.629096      3.128329      6.449585
  C      -0.748481      2.192449      5.695251
  C      -1.569330      1.274273      4.734957
  C      -0.934689      4.391744      6.812069
  C      -1.275702      5.434711      5.744530
  N      -2.706243      5.378040      5.504339
  H      -1.230093      1.426773      3.690949
  H      -1.386221      0.212877      4.982805
  H      -0.063380      2.812809      5.103923
  H      -0.139868      1.604484      6.400502
  H      -0.952902      6.437938      6.068603
  H      -0.723495      5.208054      4.814867
  H      -1.320439      4.727205      7.784118
  H       0.148192      4.221127      6.919452
  H      -4.185168      2.644520      8.672947
  H      -3.447719      4.218979      8.325516
  H      -2.507120      1.459024      7.360964
  H      -1.649448      2.540121      8.502843
  C      -4.028110      1.222174      4.035789
  C      -4.852358      0.009308      4.478898
  C      -6.267117      0.076619      3.862388
  C      -6.277094      0.203322      2.360932
  N      -6.443447      1.426732      1.851886
  C      -6.459510      1.540940      0.491249
  N      -6.265760      0.593571     -0.398036
  C      -6.071716     -0.669132      0.097222
  C      -5.857043     -1.734802     -0.807375
  C      -5.685432     -3.018083     -0.328779
  C      -5.726741     -3.280577      1.059151
  C      -5.931361     -2.257896      1.963831
  C      -6.096754     -0.927117      1.506850
  C      -3.543917      6.369770      6.163967
  C      -3.564414      7.726114      5.440767
  C      -3.884586      7.595220      3.951991
  C      -5.282400      7.140090      3.616803
  N      -6.202620      7.114807      4.572649
  C      -7.462567      6.716181      4.237428
  N      -7.900513      6.317220      3.060419
  C      -6.978429      6.325279      2.048696
  C      -7.364513      5.886642      0.755553
  C      -6.451091      5.899672     -0.283307
  C      -5.124677      6.346447     -0.069459
  C      -4.718526      6.763104      1.186146
  C      -5.626731      6.759035      2.273727
  C      -5.855727      3.022019      6.781914
  C      -6.726892      4.223816      7.159735
  C      -8.206284      3.846444      7.243074
  C      -8.843757      3.473410      5.926335
  N      -8.127847      3.612906      4.821536
  C      -8.704723      3.256416      3.642180
  N      -9.909085      2.759268      3.460422
  C     -10.678827      2.614126      4.581395
  C     -11.988446      2.090693      4.459292
  C     -12.779425      1.940475      5.579378
  C     -12.297010      2.307069      6.855995
  C     -11.022205      2.816273      7.003005
  C     -10.184554      2.976740      5.872921
  H      -3.675842      1.127286      2.989172
  H      -4.775199      2.064150      4.040617
  H      -4.933367      0.023450      5.574937
  H      -4.346123     -0.928998      4.207234
  H      -6.832208     -0.822275      4.148603
  H      -6.797420      0.944004      4.279505
  H      -6.647691      2.552715      0.109603
  H      -5.845682     -1.507724     -1.873383
  H      -5.525760     -3.842693     -1.025010
  H      -5.601060     -4.303751      1.417251
  H      -5.968863     -2.481332      3.029791
  H      -4.576612      5.996614      6.185177
  H      -3.227119      6.514874      7.216297
  H      -2.587128      8.220910      5.549259
  H      -4.311708      8.369781      5.928901
  H      -3.720955      8.563868      3.447574
  H      -3.174004      6.888956      3.493447
  H      -8.186326      6.728666      5.058522
  H      -8.395705      5.558323      0.612432
  H      -6.753750      5.567003     -1.278238
  H      -4.418136      6.359709     -0.902979
  H      -3.686525      7.073640      1.354839
  H      -6.013262      2.202002      7.510255
  H      -6.203747      2.657374      5.803988
  H      -6.402759      4.632128      8.129513
  H      -6.582358      5.010915      6.406204
  H      -8.334889      3.003472      7.944663
  H      -8.785209      4.674746      7.685568
  H      -8.071222      3.380295      2.760737
  H     -12.342339      1.817775      3.465059
  H     -13.788557      1.537104      5.483564
  H     -12.938197      2.184997      7.728821
  H     -10.660010      3.096174      7.991963
  N      -3.728695      3.985011      3.242628
  N      -4.589427      3.790245      2.141561
  H      -5.415742      4.418996      2.199222
  H      -4.961475      2.813997      2.075557
  H      -4.118763      4.025484      1.249033
100
Coordinates from ORCA-job orca E -6259.477743002750
  N      -2.934451      1.657797      4.894861
  Mo     -3.402142      3.598134      5.040128
  N      -4.408286      3.321345      6.694053
  C      -3.596128      3.203884      7.910162
  C      -2.271892      2.491841      7.608641
  N      -1.596195      3.129695      6.442169
  C      -0.723573      2.202375      5.669302
  C      -1.552472      1.303563      4.697783
  C      -0.898722      4.388992      6.814113
  C      -1.241928      5.439707      5.756289
  N      -2.673263      5.387326      5.519395
  H      -1.215699      1.467050      3.654283
  H      -1.376099      0.237637      4.930731
  H      -0.037158      2.827729      5.084523
  H      -0.114694      1.599381      6.361840
  H      -0.917483      6.440697      6.086145
  H      -0.692508      5.220606      4.822669
  H      -1.280105      4.716534      7.790562
  H       0.185791      4.219169      6.915846
  H      -4.138829      2.625932      8.675983
  H      -3.399794      4.201793      8.342381
  H      -2.473358      1.450056      7.338702
  H      -1.608854      2.511856      8.491316
  C      -4.015374      1.242969      4.013872
  C      -4.820907      0.015445      4.462389
  C      -6.239916      0.069197      3.850056
  C      -6.253950      0.161747      2.345697
  N      -6.399850      1.374640      1.801218
  C      -6.435180      1.450343      0.436628
  N      -6.281233      0.471998     -0.426285
  C      -6.098749     -0.778194      0.104299
  C      -5.916689     -1.876553     -0.770791
  C      -5.756281     -3.148588     -0.256140
  C      -5.777891     -3.368433      1.139660
  C      -5.950915     -2.314455      2.015858
  C      -6.102883     -0.993677      1.520788
  C      -3.508462      6.380287      6.188665
  C      -3.541270      7.733682      5.461094
  C      -3.901293      7.599665      3.981384
  C      -5.314057      7.163981      3.684269
  N      -6.210709      7.163356      4.661685
  C      -7.487110      6.785046      4.357757
  N      -7.959754      6.386010      3.191904
  C      -7.059611      6.370466      2.162036
  C      -7.483031      5.926863      0.881175
  C      -6.594203      5.912652     -0.177037
  C      -5.253265      6.333686      0.002068
  C      -4.811189      6.753550      1.244347
  C      -5.696724      6.779118      2.352958
  C      -5.823578      3.029381      6.780552
  C      -6.702246      4.227184      7.154413
  C      -8.182992      3.850645      7.199228
  C      -8.780248      3.493036      5.858855
  N      -8.029072      3.646518      4.779230
  C      -8.569113      3.308643      3.578621
  N      -9.765962      2.815518      3.349841
  C     -10.570142      2.656879      4.444636
  C     -11.875392      2.139593      4.274587
  C     -12.702597      1.978461      5.366169
  C     -12.262188      2.327522      6.661499
  C     -10.992671      2.829525      6.855687
  C     -10.118718      3.000691      5.755533
  H      -3.674655      1.156029      2.962474
  H      -4.775380      2.071410      4.039265
  H      -4.897853      0.035579      5.558688
  H      -4.308160     -0.919932      4.192888
  H      -6.811235     -0.819977      4.154087
  H      -6.764276      0.947530      4.251743
  H      -6.605713      2.455065      0.029191
  H      -5.919610     -1.682865     -1.844467
  H      -5.621044     -3.996867     -0.930085
  H      -5.662029     -4.383072      1.526909
  H      -5.973583     -2.504062      3.089670
  H      -4.540237      6.005186      6.232372
  H      -3.173325      6.529403      7.234396
  H      -2.559383      8.225216      5.543295
  H      -4.274106      8.381735      5.965721
  H      -3.743641      8.565548      3.469330
  H      -3.209982      6.885264      3.506496
  H      -8.192944      6.813036      5.194212
  H      -8.522411      5.616011      0.764948
  H      -6.927006      5.577118     -1.161429
  H      -4.563968      6.321943     -0.846495
  H      -3.766674      7.034298      1.389273
  H      -5.992253      2.201279      7.497430
  H      -6.159834      2.676202      5.794032
  H      -6.395735      4.627805      8.132899
  H      -6.543052      5.019838      6.410277
  H      -8.332837      3.001891      7.888779
  H      -8.772997      4.675923      7.632899
  H      -7.908806      3.447150      2.718059
  H     -12.197462      1.880932      3.266325
  H     -13.708307      1.580509      5.232872
  H     -12.932188      2.197428      7.511562
  H     -10.662680      3.096524      7.859004
  N      -3.794543      4.038754      3.277507
  N      -4.766831      3.837255      2.266309
  H      -5.584939      4.461618      2.411260
  H      -5.150642      2.855901      2.242846
  H      -4.393470      4.076607      1.332231
100
Coordinates from ORCA-job orca E -6259.481021659835
  N      -2.913033      1.670118      4.892069
  Mo     -3.398477      3.596294      5.055847
  N      -4.377725      3.323682      6.721102
  C      -3.556405      3.204022      7.930472
  C      -2.235357      2.487293      7.617129
  N      -1.570078      3.129236      6.444768
  C      -0.700568      2.205055      5.664387
  C      -1.533276      1.312141      4.693221
  C      -0.873678      4.391452      6.811385
  C      -1.222838      5.436147      5.749415
  N      -2.655559      5.380687      5.515961
  H      -1.201470      1.473158      3.646961
  H      -1.360372      0.244812      4.924884
  H      -0.014472      2.831092      5.078794
  H      -0.088768      1.597086      6.351137
  H      -0.901109      6.440416      6.072949
  H      -0.674459      5.216213      4.814853
  H      -1.253040      4.721845      7.788027
  H       0.213620      4.227904      6.909816
  H      -4.090536      2.623161      8.701416
  H      -3.356846      4.200692      8.362846
  H      -2.439720      1.445893      7.347981
  H      -1.569609      2.502399      8.498196
  C      -3.996517      1.229742      4.025635
  C      -4.781360     -0.015274      4.476513
  C      -6.204782      0.028918      3.873594
  C      -6.212879      0.130851      2.371954
  N      -6.324529      1.349609      1.831464
  C      -6.359221      1.433380      0.468443
  N      -6.243237      0.452980     -0.398710
  C      -6.089489     -0.801441      0.126173
  C      -5.938090     -1.904289     -0.751701
  C      -5.802488     -3.181136     -0.242393
  C      -5.820165     -3.404028      1.152856
  C      -5.963471     -2.347634      2.031520
  C      -6.089778     -1.021376      1.540177
  C      -3.485816      6.385407      6.183056
  C      -3.519770      7.727107      5.436059
  C      -3.916695      7.579929      3.967744
  C      -5.347241      7.181986      3.706336
  N      -6.221675      7.222167      4.701759
  C      -7.515280      6.877118      4.425942
  N      -8.020927      6.475200      3.272320
  C      -7.140053      6.423674      2.229547
  C      -7.601942      5.973903      0.962165
  C      -6.736210      5.914306     -0.109805
  C      -5.378564      6.294190      0.037433
  C      -4.902052      6.722103      1.263975
  C      -5.767229      6.792319      2.389063
  C      -5.794214      3.026380      6.800387
  C      -6.688162      4.217182      7.164787
  C      -8.169240      3.839513      7.172758
  C      -8.736766      3.500500      5.811991
  N      -7.960922      3.670012      4.749695
  C      -8.480170      3.360607      3.532515
  N      -9.672871      2.878218      3.264493
  C     -10.499578      2.701700      4.341864
  C     -11.804895      2.196827      4.134696
  C     -12.658109      2.021356      5.204767
  C     -12.244655      2.343002      6.516062
  C     -10.975940      2.831652      6.747267
  C     -10.075736      3.017081      5.669086
  H      -3.670854      1.143354      2.969378
  H      -4.770315      2.041458      4.064205
  H      -4.852870      0.002937      5.573522
  H      -4.262399     -0.944400      4.197619
  H      -6.782214     -0.856272      4.175770
  H      -6.723694      0.910052      4.276610
  H      -6.497227      2.444362      0.068150
  H      -5.941440     -1.710648     -1.825928
  H      -5.689924     -4.030285     -0.920500
  H      -5.724033     -4.421871      1.536225
  H      -5.982645     -2.535091      3.106076
  H      -4.515884      6.011032      6.255280
  H      -3.132979      6.550857      7.219899
  H      -2.529136      8.206404      5.485666
  H      -4.227957      8.393375      5.951688
  H      -3.749850      8.535258      3.437938
  H      -3.252402      6.843202      3.488024
  H      -8.207919      6.932733      5.271972
  H      -8.651142      5.691133      0.871054
  H      -7.099430      5.573790     -1.082163
  H      -4.706197      6.246301     -0.822668
  H      -3.848554      6.970884      1.385488
  H      -5.968144      2.196406      7.513934
  H      -6.120560      2.674260      5.810248
  H      -6.399295      4.613513      8.149952
  H      -6.518587      5.013675      6.427532
  H      -8.339779      2.985547      7.850294
  H      -8.767875      4.663150      7.597147
  H      -7.804198      3.519172      2.685566
  H     -12.106680      1.960666      3.114402
  H     -13.663860      1.633972      5.041668
  H     -12.935857      2.202135      7.349113
  H     -10.666364      3.078150      7.762540
  N      -3.865682      4.039246      3.310074
  N      -4.906890      3.822699      2.354319
  H      -5.709131      4.450660      2.543274
  H      -5.302735      2.834839      2.354364
  H      -4.587844      4.059512      1.404228
100
Coordinates from ORCA-job orca E -6259.484472142887
  N      -2.890432      1.688022      4.883239
  Mo     -3.385972      3.610004      5.062428
  N      -4.377846      3.334948      6.719859
  C      -3.570393      3.202694      7.936785
  C      -2.247596      2.482625      7.634924
  N      -1.564839      3.128022      6.474494
  C      -0.686894      2.203466      5.703633
  C      -1.507249      1.321068      4.712302
  C      -0.872755      4.386586      6.854091
  C      -1.199964      5.432058      5.786323
  N      -2.628007      5.384387      5.524014
  H      -1.152890      1.484826      3.673999
  H      -1.346909      0.250539      4.942536
  H       0.014141      2.829734      5.134879
  H      -0.090212      1.586319      6.396644
  H      -0.880688      6.436111      6.112846
  H      -0.635551      5.208556      4.862876
  H      -1.268594      4.716951      7.824791
  H       0.212664      4.220214      6.970836
  H      -4.116833      2.619098      8.699047
  H      -3.370624      4.197238      8.376265
  H      -2.451817      1.442435      7.356838
  H      -1.593553      2.489127      8.524504
  C      -3.962966      1.233892      4.014415
  C      -4.727722     -0.021348      4.463657
  C      -6.153564      0.009555      3.871636
  C      -6.181275      0.117280      2.373217
  N      -6.293236      1.339045      1.842792
  C      -6.351482      1.433638      0.482872
  N      -6.263597      0.459828     -0.390984
  C      -6.107590     -0.798469      0.121752
  C      -5.980571     -1.893149     -0.764835
  C      -5.841754     -3.172827     -0.267530
  C      -5.831640     -3.407280      1.126307
  C      -5.950553     -2.358752      2.013120
  C      -6.079902     -1.029708      1.533017
  C      -3.462952      6.396692      6.167349
  C      -3.495748      7.730412      5.406612
  C      -3.891756      7.581841      3.937946
  C      -5.323591      7.193798      3.669981
  N      -6.203418      7.239122      4.660734
  C      -7.494297      6.900590      4.378719
  N      -7.995990      6.504361      3.225135
  C      -7.113066      6.453455      2.184636
  C      -7.573847      6.012200      0.914749
  C      -6.704521      5.947740     -0.153610
  C      -5.344480      6.311863      0.002385
  C      -4.871040      6.731585      1.231076
  C      -5.740296      6.809859      2.350244
  C      -5.794299      3.029968      6.788046
  C      -6.702171      4.212624      7.146725
  C      -8.181377      3.824040      7.151632
  C      -8.767394      3.476750      5.797947
  N      -8.014200      3.643744      4.717003
  C      -8.562953      3.330580      3.510728
  N      -9.760979      2.847948      3.266368
  C     -10.564514      2.671501      4.362495
  C     -11.875483      2.165077      4.181644
  C     -12.706713      1.989637      5.270158
  C     -12.264205      2.313064      6.574756
  C     -10.988836      2.804166      6.780077
  C     -10.110150      2.989747      5.681989
  H      -3.632853      1.150686      2.960292
  H      -4.747048      2.036194      4.054117
  H      -4.802842     -0.005895      5.561330
  H      -4.194304     -0.941286      4.181475
  H      -6.724219     -0.876077      4.183989
  H      -6.672407      0.890470      4.277638
  H      -6.486506      2.448084      0.091440
  H      -6.003838     -1.691326     -1.836068
  H      -5.747321     -4.015930     -0.952651
  H      -5.733150     -4.427567      1.499868
  H      -5.947923     -2.553416      3.085180
  H      -4.491238      6.018366      6.237503
  H      -3.117830      6.574372      7.204190
  H      -2.504557      8.208384      5.453815
  H      -4.203162      8.399949      5.918413
  H      -3.717760      8.536127      3.409102
  H      -3.231043      6.841250      3.459839
  H      -8.189824      6.957478      5.221393
  H      -8.625101      5.737473      0.819469
  H      -7.065484      5.614042     -1.128565
  H      -4.668578      6.257155     -0.852505
  H      -3.817250      6.962129      1.360305
  H      -5.964243      2.198768      7.501436
  H      -6.110855      2.672555      5.796259
  H      -6.420990      4.611068      8.134074
  H      -6.537216      5.011859      6.409811
  H      -8.345618      2.970731      7.832967
  H      -8.782127      4.647524      7.574340
  H      -7.909354      3.489719      2.647040
  H     -12.198923      1.928257      3.166620
  H     -13.717320      1.600861      5.127445
  H     -12.938122      2.172040      7.422322
  H     -10.657782      3.051909      7.789553
  N      -3.882118      4.068896      3.321189
  N      -4.961517      3.854759      2.411403
  H      -5.749277      4.489806      2.626109
  H      -5.373421      2.870171      2.412448
  H      -4.676979      4.092024      1.451363
100
Coordinates from ORCA-job orca E -6259.487679034196
  N      -2.864774      1.686539      4.881383
  Mo     -3.382757      3.603356      5.064849
  N      -4.379673      3.335293      6.724942
  C      -3.580600      3.203405      7.946095
  C      -2.256547      2.482493      7.653191
  N      -1.564314      3.124578      6.498289
  C      -0.674968      2.199941      5.741152
  C      -1.478422      1.316628      4.738680
  C      -0.880007      4.384912      6.878516
  C      -1.191800      5.421747      5.797897
  N      -2.615963      5.374497      5.514878
  H      -1.105362      1.474748      3.706833
  H      -1.325654      0.246321      4.975299
  H       0.035057      2.827041      5.184945
  H      -0.088313      1.583329      6.442830
  H      -0.878438      6.428672      6.120817
  H      -0.613334      5.192396      4.885301
  H      -1.291366      4.721838      7.840707
  H       0.202423      4.219869      7.013384
  H      -4.131861      2.620999      8.706226
  H      -3.381328      4.198744      8.386495
  H      -2.459506      1.441748      7.373210
  H      -1.608459      2.487672      8.546950
  C      -3.924839      1.208868      4.016667
  C      -4.662814     -0.060481      4.463810
  C      -6.095615     -0.063182      3.890309
  C      -6.154606      0.065107      2.396347
  N      -6.292231      1.293863      1.893746
  C      -6.369131      1.417301      0.539630
  N      -6.290099      0.462622     -0.356416
  C      -6.112093     -0.803183      0.124824
  C      -5.989336     -1.876088     -0.787007
  C      -5.820293     -3.160912     -0.321301
  C      -5.774340     -3.424023      1.067259
  C      -5.889943     -2.397032      1.978284
  C      -6.052767     -1.063108      1.529953
  C      -3.453833      6.394961      6.137440
  C      -3.481251      7.723890      5.370949
  C      -3.887897      7.578036      3.906860
  C      -5.326357      7.213141      3.651773
  N      -6.196475      7.265916      4.652219
  C      -7.489185      6.938177      4.383507
  N      -8.003387      6.544316      3.238799
  C      -7.132868      6.486941      2.187420
  C      -7.608891      6.042594      0.926087
  C      -6.749163      5.962970     -0.148836
  C      -5.385164      6.315993     -0.005730
  C      -4.899056      6.740459      1.213875
  C      -5.757917      6.833063      2.337061
  C      -5.795309      3.025687      6.788783
  C      -6.705372      4.208852      7.136034
  C      -8.182733      3.823671      7.130851
  C      -8.772209      3.480839      5.779598
  N      -8.025425      3.639278      4.691024
  C      -8.592073      3.337493      3.488650
  N      -9.798524      2.875113      3.252637
  C     -10.593691      2.704506      4.356755
  C     -11.913421      2.220120      4.184261
  C     -12.738093      2.054255      5.279679
  C     -12.278359      2.364967      6.583178
  C     -10.993486      2.834351      6.779613
  C     -10.121404      3.010998      5.673761
  H      -3.597066      1.130643      2.962438
  H      -4.723126      1.993087      4.054223
  H      -4.736505     -0.055697      5.562154
  H      -4.106948     -0.963141      4.169965
  H      -6.635706     -0.963571      4.209994
  H      -6.629611      0.803297      4.309594
  H      -6.517430      2.438404      0.172512
  H      -6.036968     -1.654149     -1.851947
  H      -5.727398     -3.987328     -1.026423
  H      -5.650125     -4.448618      1.414336
  H      -5.857336     -2.609966      3.044750
  H      -4.480491      6.012741      6.209029
  H      -3.113712      6.582625      7.174266
  H      -2.485648      8.192961      5.408587
  H      -4.176304      8.402403      5.888515
  H      -3.700481      8.528244      3.374774
  H      -3.243675      6.824564      3.425651
  H      -8.175503      7.000365      5.233530
  H      -8.663077      5.774093      0.843611
  H      -7.119090      5.626110     -1.118054
  H      -4.717774      6.249265     -0.864482
  H      -3.843943      6.964973      1.333161
  H      -5.962421      2.199603      7.509159
  H      -6.108937      2.657184      5.799708
  H      -6.435437      4.609440      8.125430
  H      -6.533278      5.007966      6.398882
  H      -8.357256      2.972492      7.811969
  H      -8.780221      4.651736      7.549028
  H      -7.949789      3.492470      2.615836
  H     -12.248764      1.993690      3.170046
  H     -13.756252      1.683518      5.143795
  H     -12.946988      2.231730      7.436033
  H     -10.650440      3.072768      7.787841
  N      -3.930803      4.055299      3.339121
  N      -5.014959      3.840907      2.436764
  H      -5.795008      4.483970      2.649740
  H      -5.437900      2.857855      2.410449
  H      -4.725059      4.081670      1.477846
100
Coordinates from ORCA-job orca E -6259.490638914418
  N      -2.848940      1.705387      4.863506
  Mo     -3.382083      3.613335      5.066238
  N      -4.382462      3.339531      6.724598
  C      -3.589975      3.198948      7.947888
  C      -2.265881      2.480095      7.657056
  N      -1.564225      3.126137      6.513351
  C      -0.669292      2.204739      5.761766
  C      -1.462046      1.328533      4.744942
  C      -0.884473      4.383181      6.904485
  C      -1.179420      5.419158      5.821263
  N      -2.599823      5.377224      5.518889
  H      -1.070942      1.486983      3.720672
  H      -1.320531      0.256956      4.980325
  H       0.049473      2.833117      5.219699
  H      -0.093729      1.581715      6.466112
  H      -0.868334      6.425608      6.147131
  H      -0.589218      5.187949      4.917027
  H      -1.308014      4.720597      7.860813
  H       0.194943      4.216840      7.054134
  H      -4.146474      2.613608      8.700362
  H      -3.390000      4.190810      8.396067
  H      -2.469636      1.441843      7.368170
  H      -1.622532      2.477226      8.554596
  C      -3.898358      1.209001      4.000864
  C      -4.614962     -0.070476      4.448553
  C      -6.052032     -0.086653      3.881211
  C      -6.130039      0.034919      2.384832
  N      -6.272644      1.261501      1.873774
  C      -6.368184      1.375852      0.519189
  N      -6.308234      0.413961     -0.371288
  C      -6.127029     -0.850137      0.116605
  C      -6.023885     -1.929947     -0.789817
  C      -5.849041     -3.211915     -0.315708
  C      -5.776931     -3.464435      1.074728
  C      -5.874246     -2.430073      1.980654
  C      -6.043893     -1.099558      1.524481
  C      -3.439215      6.405640      6.123540
  C      -3.453254      7.731105      5.354320
  C      -3.865203      7.580893      3.893265
  C      -5.311171      7.237091      3.652364
  N      -6.170158      7.304605      4.662964
  C      -7.470175      6.994723      4.411909
  N      -8.005667      6.606705      3.274612
  C      -7.149718      6.533906      2.209607
  C      -7.647762      6.094196      0.955192
  C      -6.799801      5.995866     -0.129733
  C      -5.428115      6.325769     -0.002093
  C      -4.920206      6.747374      1.210591
  C      -5.764169      6.859597      2.342855
  C      -5.795059      3.021100      6.780336
  C      -6.705535      4.203294      7.124093
  C      -8.181504      3.815696      7.111881
  C      -8.765426      3.478220      5.759767
  N      -8.016729      3.642481      4.674833
  C      -8.584108      3.350349      3.471152
  N      -9.792756      2.893647      3.232914
  C     -10.589186      2.714743      4.333390
  C     -11.909743      2.235118      4.155769
  C     -12.734526      2.062215      5.248872
  C     -12.273012      2.360218      6.553748
  C     -10.987108      2.825125      6.754118
  C     -10.114919      3.009764      5.650995
  H      -3.570711      1.139306      2.946070
  H      -4.709303      1.976796      4.041786
  H      -4.687270     -0.070028      5.546662
  H      -4.048083     -0.965138      4.151544
  H      -6.577933     -0.991626      4.211530
  H      -6.591543      0.775947      4.301932
  H      -6.516202      2.395753      0.145103
  H      -6.089753     -1.715748     -1.855903
  H      -5.770461     -4.044466     -1.015730
  H      -5.647260     -4.487384      1.427581
  H      -5.820776     -2.634632      3.048829
  H      -4.468569      6.028065      6.188489
  H      -3.106615      6.596231      7.162828
  H      -2.453073      8.189453      5.390097
  H      -4.139556      8.419767      5.869532
  H      -3.663816      8.524172      3.354615
  H      -3.237265      6.813636      3.413811
  H      -8.142961      7.069041      5.272497
  H      -8.707438      5.842945      0.885838
  H      -7.184869      5.662087     -1.094530
  H      -4.771131      6.243499     -0.868925
  H      -3.858112      6.955422      1.316951
  H      -5.960098      2.195001      7.500782
  H      -6.104881      2.648288      5.790707
  H      -6.443233      4.603125      8.115901
  H      -6.529430      5.004587      6.390006
  H      -8.358931      2.962371      7.789643
  H      -8.781467      4.642175      7.529724
  H      -7.944053      3.509977      2.598210
  H     -12.245281      2.018505      3.140179
  H     -13.753628      1.695442      5.110072
  H     -12.941138      2.221204      7.404760
  H     -10.644012      3.053643      7.763830
  N      -3.976529      4.076826      3.362708
  N      -5.084479      3.868524      2.497501
  H      -5.855435      4.514673      2.740018
  H      -5.512016      2.886297      2.474561
  H      -4.822412      4.115971      1.529422
100
Coordinates from ORCA-job orca E -6259.494996873397
  N      -2.823386      1.713669      4.857711
  Mo     -3.380073      3.611565      5.071366
  N      -4.380725      3.335409      6.730087
  C      -3.594855      3.196946      7.958797
  C      -2.268517      2.479434      7.674356
  N      -1.561113      3.126252      6.535277
  C      -0.656856      2.206527      5.793800
  C      -1.436829      1.330412      4.767252
  C      -0.889399      4.387650      6.929142
  C      -1.172288      5.415484      5.836605
  N      -2.590891      5.370559      5.517725
  H      -1.027709      1.482204      3.748967
  H      -1.306501      0.259039      5.007800
  H       0.069425      2.834494      5.262059
  H      -0.090902      1.582821      6.505196
  H      -0.868622      6.425273      6.158831
  H      -0.571373      5.180536      4.940033
  H      -1.325742      4.730440      7.877435
  H       0.188865      4.225723      7.093829
  H      -4.153664      2.611207      8.708368
  H      -3.398461      4.188102      8.408648
  H      -2.471022      1.441576      7.383782
  H      -1.630459      2.474517      8.576302
  C      -3.861895      1.187027      3.997899
  C      -4.552580     -0.109623      4.439548
  C      -5.997450     -0.141166      3.888141
  C      -6.098704      0.008907      2.393564
  N      -6.264437      1.241696      1.900085
  C      -6.379625      1.373435      0.548333
  N      -6.326046      0.423322     -0.356801
  C      -6.126594     -0.845874      0.112063
  C      -6.031777     -1.915325     -0.809373
  C      -5.834223     -3.202062     -0.352957
  C      -5.729435     -3.470302      1.032875
  C      -5.819512     -2.446793      1.952748
  C      -6.014432     -1.112013      1.515383
  C      -3.433822      6.410392      6.104210
  C      -3.433268      7.726093      5.319014
  C      -3.854774      7.562447      3.861765
  C      -5.309061      7.243394      3.637969
  N      -6.154493      7.339115      4.656367
  C      -7.464285      7.050351      4.424535
  N      -8.020566      6.658144      3.297214
  C      -7.177904      6.555898      2.223687
  C      -7.697841      6.110532      0.980288
  C      -6.863152      5.979468     -0.111687
  C      -5.483690      6.284172     -0.003025
  C      -4.953397      6.714639      1.198186
  C      -5.783498      6.857864      2.338204
  C      -5.793648      3.007159      6.777718
  C      -6.706250      4.192148      7.109671
  C      -8.183435      3.811145      7.090048
  C      -8.768624      3.481222      5.738100
  N      -8.022161      3.643765      4.652066
  C      -8.601239      3.368958      3.451324
  N      -9.817973      2.933391      3.217015
  C     -10.609562      2.753654      4.319231
  C     -11.936919      2.296328      4.144997
  C     -12.756927      2.125830      5.240743
  C     -12.282945      2.403264      6.543883
  C     -10.990750      2.846222      6.740099
  C     -10.123271      3.028879      5.634270
  H      -3.538309      1.125071      2.939890
  H      -4.685279      1.935179      4.040847
  H      -4.616067     -0.125040      5.537774
  H      -3.976342     -0.992576      4.124874
  H      -6.498154     -1.063645      4.211517
  H      -6.547908      0.702800      4.331274
  H      -6.540775      2.396422      0.187673
  H      -6.120712     -1.689818     -1.872268
  H      -5.761545     -4.026171     -1.063987
  H      -5.580312     -4.497018      1.370873
  H      -5.739947     -2.662049      3.018449
  H      -4.465766      6.036952      6.168344
  H      -3.106823      6.611100      7.143501
  H      -2.425160      8.169399      5.344246
  H      -4.104704      8.431442      5.830513
  H      -3.634812      8.491074      3.305722
  H      -3.246097      6.773536      3.392699
  H      -8.125478      7.148147      5.291736
  H      -8.762479      5.879389      0.924992
  H      -7.264359      5.639737     -1.068020
  H      -4.838459      6.177028     -0.876855
  H      -3.885649      6.910517      1.287835
  H      -5.958372      2.185969      7.503603
  H      -6.099043      2.624401      5.789842
  H      -6.452475      4.593843      8.103107
  H      -6.520332      4.991585      6.376512
  H      -8.368918      2.958732      7.766798
  H      -8.779948      4.641063      7.506911
  H      -7.969250      3.530424      2.573227
  H     -12.281144      2.095619      3.130059
  H     -13.781379      1.777230      5.105394
  H     -12.947265      2.266412      7.397803
  H     -10.639354      3.059488      7.749365
  N      -4.026251      4.074522      3.398540
  N      -5.141654      3.865578      2.551055
  H      -5.912697      4.507601      2.810498
  H      -5.559376      2.879160      2.521925
  H      -4.893184      4.122061      1.580018
100
Coordinates from ORCA-job orca E -6259.497071298509
  N      -2.780947      1.728582      4.849073
  Mo     -3.373597      3.607760      5.082692
  N      -4.372024      3.314734      6.737471
  C      -3.591100      3.175589      7.967469
  C      -2.261399      2.469157      7.680388
  N      -1.556925      3.131430      6.552570
  C      -0.635341      2.230346      5.814016
  C      -1.394703      1.353538      4.776135
  C      -0.904021      4.398465      6.959243
  C      -1.180992      5.422482      5.863368
  N      -2.595600      5.365400      5.530148
  H      -0.975385      1.508638      3.762517
  H      -1.263372      0.282888      5.014874
  H       0.088946      2.869343      5.294340
  H      -0.069874      1.608694      6.527146
  H      -0.892020      6.435361      6.188489
  H      -0.568158      5.193692      4.972891
  H      -1.357188      4.736817      7.900575
  H       0.173449      4.248462      7.140069
  H      -4.145627      2.580443      8.710518
  H      -3.403300      4.162874      8.426257
  H      -2.458380      1.434443      7.378767
  H      -1.625979      2.456536      8.584845
  C      -3.805487      1.177397      3.989515
  C      -4.469916     -0.139437      4.416749
  C      -5.922490     -0.187723      3.881479
  C      -6.043512     -0.016850      2.388503
  N      -6.211067      1.221122      1.903068
  C      -6.339064      1.363584      0.553295
  N      -6.307792      0.417967     -0.358807
  C      -6.112914     -0.856364      0.100971
  C      -6.044328     -1.924463     -0.826386
  C      -5.845977     -3.216242     -0.377844
  C      -5.713012     -3.491726      1.004361
  C      -5.778428     -2.470424      1.929431
  C      -5.976849     -1.130961      1.500848
  C      -3.450851      6.409433      6.096851
  C      -3.436343      7.715776      5.297178
  C      -3.863358      7.535032      3.843679
  C      -5.326408      7.248237      3.634353
  N      -6.159187      7.385425      4.656344
  C      -7.479743      7.124391      4.442541
  N      -8.056267      6.721031      3.327553
  C      -7.224821      6.574996      2.250316
  C      -7.765952      6.114748      1.021315
  C      -6.943517      5.937954     -0.072994
  C      -5.555904      6.214016      0.017086
  C      -5.004020      6.661751      1.203362
  C      -5.821387      6.847828      2.347204
  C      -5.783979      2.975299      6.773514
  C      -6.699833      4.162105      7.095226
  C      -8.179587      3.791892      7.065139
  C      -8.768528      3.476584      5.712241
  N      -8.022758      3.628719      4.623940
  C      -8.616960      3.379762      3.425982
  N      -9.846476      2.982434      3.195994
  C     -10.635154      2.813163      4.301312
  C     -11.975308      2.400724      4.131781
  C     -12.793147      2.246837      5.231421
  C     -12.303440      2.495187      6.532931
  C     -10.999047      2.893540      6.723825
  C     -10.133619      3.059765      5.613891
  H      -3.488648      1.131111      2.927359
  H      -4.641550      1.901872      4.039938
  H      -4.522184     -0.174622      5.514510
  H      -3.885352     -1.008591      4.079655
  H      -6.400091     -1.124998      4.199277
  H      -6.482098      0.639795      4.343210
  H      -6.493088      2.390208      0.198518
  H      -6.151990     -1.694301     -1.887538
  H      -5.793248     -4.038489     -1.093129
  H      -5.561799     -4.522452      1.335304
  H      -5.676513     -2.689477      2.993799
  H      -4.483685      6.034265      6.154356
  H      -3.136250      6.621039      7.138096
  H      -2.421218      8.145661      5.313761
  H      -4.094333      8.437355      5.802887
  H      -3.619309      8.444551      3.266906
  H      -3.277347      6.720211      3.390861
  H      -8.131070      7.256771      5.312123
  H      -8.835665      5.906717      0.979615
  H      -7.360644      5.585253     -1.017944
  H      -4.921685      6.072593     -0.860398
  H      -3.930591      6.844097      1.276656
  H      -5.949820      2.157432      7.502538
  H      -6.083358      2.585575      5.785972
  H      -6.455388      4.562529      8.091598
  H      -6.501747      4.961474      6.365936
  H      -8.377267      2.939327      7.738379
  H      -8.769604      4.625993      7.483291
  H      -7.991810      3.536185      2.542000
  H     -12.330772      2.222607      3.117249
  H     -13.827570      1.934860      5.100342
  H     -12.966252      2.372408      7.390802
  H     -10.636677      3.086248      7.732754
  N      -4.051855      4.071548      3.436604
  N      -5.163935      3.857543      2.590940
  H      -5.943611      4.486402      2.862947
  H      -5.560406      2.862044      2.543145
  H      -4.918646      4.131777      1.623708
100
Coordinates from ORCA-job orca E -6259.498443273573
  N      -2.775811      1.735091      4.833593
  Mo     -3.376543      3.604024      5.079717
  N      -4.374363      3.307539      6.729068
  C      -3.596032      3.160260      7.958609
  C      -2.266267      2.454780      7.669285
  N      -1.559069      3.125434      6.548941
  C      -0.633987      2.231264      5.809945
  C      -1.389698      1.359476      4.765645
  C      -0.912382      4.390501      6.964655
  C      -1.180863      5.411506      5.867643
  N      -2.592113      5.355322      5.523789
  H      -0.966224      1.519345      3.754553
  H      -1.260788      0.287597      5.000033
  H       0.092314      2.872934      5.296583
  H      -0.071005      1.604913      6.521165
  H      -0.894176      6.425332      6.191548
  H      -0.562374      5.180350      4.981739
  H      -1.373374      4.727093      7.902929
  H       0.164585      4.243615      7.152967
  H      -4.152951      2.562466      8.698164
  H      -3.406705      4.145277      8.421747
  H      -2.463256      1.422079      7.360375
  H      -1.634572      2.434869      8.576385
  C      -3.798881      1.168335      3.984512
  C      -4.437108     -0.158506      4.418057
  C      -5.893074     -0.224364      3.895249
  C      -6.029531     -0.052929      2.404246
  N      -6.218935      1.183810      1.923587
  C      -6.363170      1.326674      0.575960
  N      -6.326404      0.383219     -0.338676
  C      -6.108570     -0.889003      0.115720
  C      -6.032320     -1.953975     -0.814865
  C      -5.811520     -3.243603     -0.371292
  C      -5.663182     -3.519915      1.008991
  C      -5.735455     -2.501659      1.937154
  C      -5.956250     -1.164270      1.513680
  C      -3.448596      6.400074      6.087344
  C      -3.419398      7.711382      5.296885
  C      -3.845696      7.542525      3.841163
  C      -5.312432      7.275526      3.634343
  N      -6.138424      7.421898      4.660761
  C      -7.463202      7.179069      4.451939
  N      -8.050868      6.786889      3.337604
  C      -7.226384      6.631431      2.256426
  C      -7.779236      6.180670      1.028804
  C      -6.964145      5.990763     -0.068833
  C      -5.572570      6.245967      0.015578
  C      -5.009337      6.687081      1.199566
  C      -5.818745      6.884009      2.347915
  C      -5.787208      2.970872      6.754816
  C      -6.700760      4.161274      7.073137
  C      -8.181603      3.795870      7.045166
  C      -8.775596      3.482625      5.693511
  N      -8.034336      3.634587      4.601491
  C      -8.635461      3.387345      3.406367
  N      -9.867718      2.994419      3.181947
  C     -10.651690      2.825691      4.290716
  C     -11.994119      2.417013      4.126848
  C     -12.806904      2.262936      5.230277
  C     -12.309712      2.507593      6.529869
  C     -11.003137      2.902654      6.715195
  C     -10.142438      3.068817      5.601220
  H      -3.488130      1.122459      2.920285
  H      -4.640967      1.883524      4.041728
  H      -4.481850     -0.195291      5.516078
  H      -3.843109     -1.019299      4.076052
  H      -6.356391     -1.167557      4.216608
  H      -6.458557      0.596174      4.362219
  H      -6.535649      2.351387      0.224453
  H      -6.151918     -1.723104     -1.874590
  H      -5.752579     -4.063473     -1.089137
  H      -5.494413     -4.548902      1.336178
  H      -5.621205     -2.721487      3.000123
  H      -4.483606      6.029783      6.134561
  H      -3.140994      6.603251      7.132291
  H      -2.400588      8.131625      5.318631
  H      -4.072136      8.436080      5.805488
  H      -3.590577      8.451315      3.267992
  H      -3.270122      6.721183      3.385612
  H      -8.108576      7.317964      5.325020
  H      -8.851943      5.989505      0.990607
  H      -7.390336      5.644563     -1.012410
  H      -4.944281      6.094434     -0.864833
  H      -3.933282      6.854708      1.267693
  H      -5.959816      2.151198      7.480535
  H      -6.081443      2.585526      5.763708
  H      -6.455174      4.564026      8.068862
  H      -6.499485      4.958485      6.341521
  H      -8.381664      2.943834      7.718857
  H      -8.766881      4.632717      7.464400
  H      -8.015822      3.542312      2.518157
  H     -12.354944      2.241576      3.113573
  H     -13.843019      1.953481      5.103772
  H     -12.968567      2.384717      7.390905
  H     -10.635328      3.092494      7.722795
  N      -4.086791      4.077313      3.444407
  N      -5.221988      3.863881      2.632875
  H      -6.007170      4.470199      2.936009
  H      -5.599510      2.863212      2.581999
  H      -5.008459      4.153034      1.662578
100
Coordinates from ORCA-job orca E -6259.500038837671
  N      -2.751241      1.745014      4.817996
  Mo     -3.374580      3.597407      5.083120
  N      -4.375159      3.289975      6.726223
  C      -3.601137      3.134148      7.955688
  C      -2.268977      2.436795      7.663590
  N      -1.559609      3.122294      6.555792
  C      -0.622468      2.243534      5.817980
  C      -1.363832      1.374394      4.763375
  C      -0.925726      4.386398      6.986262
  C      -1.181822      5.404221      5.887071
  N      -2.587882      5.344818      5.529129
  H      -0.930671      1.539873      3.757520
  H      -1.234801      0.301885      4.994262
  H       0.102978      2.894446      5.315806
  H      -0.060252      1.615280      6.528020
  H      -0.901254      6.419346      6.212037
  H      -0.553295      5.172639      5.008597
  H      -1.402605      4.718971      7.917910
  H       0.148929      4.244637      7.190840
  H      -4.159231      2.529443      8.688318
  H      -3.414379      4.115325      8.428119
  H      -2.462569      1.407410      7.341703
  H      -1.640821      2.406894      8.573117
  C      -3.764743      1.159904      3.976299
  C      -4.371217     -0.180960      4.408739
  C      -5.831048     -0.268095      3.899953
  C      -5.989411     -0.088200      2.412024
  N      -6.196615      1.150342      1.943358
  C      -6.363466      1.300458      0.599718
  N      -6.337033      0.363104     -0.321329
  C      -6.102829     -0.910237      0.120129
  C      -6.037557     -1.968207     -0.818373
  C      -5.798031     -3.258377     -0.387795
  C      -5.619481     -3.541823      0.986788
  C      -5.681466     -2.530507      1.922768
  C      -5.922081     -1.192948      1.513022
  C      -3.451434      6.391552      6.075513
  C      -3.411083      7.700142      5.282068
  C      -3.847833      7.527983      3.829592
  C      -5.320674      7.285597      3.635754
  N      -6.135790      7.456626      4.667124
  C      -7.465734      7.234498      4.472065
  N      -8.069598      6.839807      3.367820
  C      -7.256999      6.655704      2.282029
  C      -7.826990      6.197405      1.065776
  C      -7.023622      5.978569     -0.035354
  C      -5.627946      6.214081      0.034138
  C      -5.047867      6.664194      1.206436
  C      -5.844088      6.887371      2.358678
  C      -5.790117      2.960817      6.742204
  C      -6.694768      4.160090      7.052377
  C      -8.178616      3.810120      7.020337
  C      -8.775467      3.504448      5.668978
  N      -8.034133      3.645760      4.575177
  C      -8.641150      3.404421      3.381351
  N      -9.879067      3.028636      3.160045
  C     -10.663128      2.870407      4.270223
  C     -12.010827      2.478591      4.108653
  C     -12.822699      2.334080      5.214131
  C     -12.319020      2.571690      6.512944
  C     -11.007237      2.950508      6.695692
  C     -10.147115      3.106726      5.579695
  H      -3.460468      1.123617      2.909940
  H      -4.620114      1.858021      4.040736
  H      -4.406118     -0.226675      5.506641
  H      -3.765400     -1.028392      4.055345
  H      -6.273903     -1.220823      4.220909
  H      -6.404590      0.539698      4.378828
  H      -6.547866      2.326022      0.257152
  H      -6.179418     -1.731637     -1.873394
  H      -5.746975     -4.073136     -1.111572
  H      -5.435337     -4.571053      1.303353
  H      -5.543102     -2.755793      2.980989
  H      -4.486876      6.021125      6.110902
  H      -3.157516      6.597548      7.123934
  H      -2.387816      8.109433      5.297896
  H      -4.053439      8.433655      5.791078
  H      -3.578735      8.426571      3.247202
  H      -3.291117      6.691834      3.377804
  H      -8.100759      7.395343      5.348673
  H      -8.902969      6.022867      1.038731
  H      -7.462495      5.625877     -0.970462
  H      -5.009679      6.041436     -0.849439
  H      -3.968957      6.821998      1.261136
  H      -5.972594      2.143943      7.468762
  H      -6.081337      2.574972      5.750312
  H      -6.451175      4.563034      8.048343
  H      -6.481408      4.953976      6.320611
  H      -8.389429      2.960274      7.693138
  H      -8.755558      4.652374      7.439960
  H      -8.023388      3.548831      2.490021
  H     -12.375726      2.307847      3.095744
  H     -13.862949      2.037280      5.089942
  H     -12.976910      2.456304      7.375628
  H     -10.635195      3.134524      7.702902
  N      -4.123816      4.078675      3.466372
  N      -5.274087      3.867476      2.679322
  H      -6.068237      4.444081      3.015044
  H      -5.625935      2.860320      2.613768
  H      -5.087268      4.179831      1.709592
100
Coordinates from ORCA-job orca E -6259.501803947734
  N      -2.733910      1.749323      4.805101
  Mo     -3.374586      3.587625      5.084584
  N      -4.379332      3.274269      6.721365
  C      -3.609974      3.110674      7.952214
  C      -2.275122      2.418378      7.659799
  N      -1.563003      3.115338      6.560676
  C      -0.615485      2.247272      5.825505
  C      -1.346119      1.378974      4.763841
  C      -0.939575      4.380307      7.001603
  C      -1.183908      5.393681      5.897595
  N      -2.586160      5.331826      5.527149
  H      -0.903525      1.546029      3.762253
  H      -1.219951      0.305791      4.994051
  H       0.110025      2.904142      5.331221
  H      -0.054431      1.618113      6.535952
  H      -0.908008      6.410861      6.220360
  H      -0.547189      5.158950      5.025844
  H      -1.430788      4.711730      7.926163
  H       0.133278      4.243205      7.221102
  H      -4.170196      2.500821      8.679250
  H      -3.425501      4.088803      8.431956
  H      -2.465731      1.391153      7.328754
  H      -1.651400      2.380926      8.572325
  C      -3.741715      1.146203      3.971441
  C      -4.320099     -0.207851      4.401552
  C      -5.783395     -0.315704      3.905758
  C      -5.960012     -0.122510      2.421310
  N      -6.193846      1.116900      1.967616
  C      -6.376066      1.276867      0.627198
  N      -6.343458      0.349053     -0.304082
  C      -6.084642     -0.924337      0.122059
  C      -6.013188     -1.972309     -0.827661
  C      -5.747113     -3.262161     -0.412640
  C      -5.547192     -3.555308      0.957019
  C      -5.615211     -2.554078      1.903736
  C      -5.883861     -1.217088      1.510245
  C      -3.454419      6.381964      6.060815
  C      -3.400403      7.690112      5.267456
  C      -3.843069      7.521178      3.815796
  C      -5.319740      7.296879      3.629094
  N      -6.127432      7.480811      4.664504
  C      -7.460709      7.273086      4.477177
  N      -8.074247      6.878935      3.377776
  C      -7.268961      6.678941      2.289250
  C      -7.849388      6.218375      1.078930
  C      -7.053758      5.982988     -0.024794
  C      -5.655637      6.206328      0.035182
  C      -5.065307      6.661196      1.200853
  C      -5.853708      6.897764      2.356765
  C      -5.797770      2.954476      6.728569
  C      -6.694204      4.163610      7.027360
  C      -8.181172      3.827283      7.000100
  C      -8.789121      3.521437      5.653339
  N      -8.054732      3.648603      4.552587
  C      -8.675329      3.408183      3.364937
  N      -9.920494      3.049954      3.155524
  C     -10.697260      2.906463      4.272767
  C     -12.051645      2.533036      4.123466
  C     -12.855457      2.401140      5.236338
  C     -12.336739      2.633275      6.530262
  C     -11.018520      2.995354      6.700906
  C     -10.166211      3.138877      5.576990
  H      -3.444064      1.115881      2.902672
  H      -4.605705      1.830496      4.042160
  H      -4.344736     -0.263856      5.499341
  H      -3.704576     -1.042718      4.035362
  H      -6.204512     -1.280125      4.220900
  H      -6.366873      0.476005      4.399054
  H      -6.580554      2.302152      0.295956
  H      -6.170976     -1.728276     -1.878853
  H      -5.691015     -4.069146     -1.145052
  H      -5.341426     -4.583988      1.261158
  H      -5.459490     -2.786685      2.958091
  H      -4.490924      6.013981      6.084247
  H      -3.173103      6.587176      7.112803
  H      -2.372324      8.087280      5.280608
  H      -4.033028      8.430891      5.778098
  H      -3.562485      8.413311      3.228847
  H      -3.299679      6.674790      3.365979
  H      -8.089732      7.446465      5.355932
  H      -8.927159      6.054676      1.058165
  H      -7.500618      5.627266     -0.955016
  H      -5.043760      6.022050     -0.851030
  H      -3.985079      6.815531      1.245960
  H      -5.990426      2.142825      7.458554
  H      -6.086217      2.565571      5.736796
  H      -6.447980      4.572651      8.020575
  H      -6.472629      4.950211      6.289702
  H      -8.397986      2.982344      7.677550
  H      -8.747940      4.676923      7.418830
  H      -8.064997      3.538229      2.466137
  H     -12.427344      2.365645      3.113977
  H     -13.900783      2.118093      5.121929
  H     -12.988127      2.527494      7.399140
  H     -10.635598      3.175273      7.704673
  N      -4.160209      4.074854      3.486820
  N      -5.324726      3.867888      2.723163
  H      -6.124163      4.418139      3.089279
  H      -5.656547      2.856319      2.646376
  H      -5.163731      4.198972      1.754011
100
Coordinates from ORCA-job orca E -6259.503545296699
  N      -2.712742      1.756449      4.790385
  Mo     -3.372853      3.579212      5.088014
  N      -4.378496      3.256362      6.719876
  C      -3.611728      3.084569      7.950675
  C      -2.273367      2.401221      7.654998
  N      -1.561425      3.111582      6.564378
  C      -0.603807      2.256374      5.829401
  C      -1.323870      1.388806      4.760923
  C      -0.949298      4.377142      7.016366
  C      -1.185350      5.387659      5.909977
  N      -2.584034      5.321780      5.529422
  H      -0.873108      1.558722      3.763576
  H      -1.198666      0.315118      4.989439
  H       0.119376      2.921129      5.342631
  H      -0.041429      1.626758      6.538401
  H      -0.914916      6.406411      6.232393
  H      -0.541386      5.152498      5.043817
  H      -1.453884      4.705144      7.934817
  H       0.121474      4.245291      7.249198
  H      -4.171707      2.467324      8.671430
  H      -3.430917      4.058963      8.439464
  H      -2.459279      1.376438      7.313552
  H      -1.652027      2.356508      8.568959
  C      -3.713825      1.136497      3.964287
  C      -4.263082     -0.229780      4.392566
  C      -5.729971     -0.357544      3.911931
  C      -5.928239     -0.156884      2.431068
  N      -6.180620      1.083012      1.988168
  C      -6.382709      1.248691      0.651452
  N      -6.356377      0.326444     -0.285462
  C      -6.080569     -0.946992      0.129389
  C      -6.015962     -1.989000     -0.827083
  C      -5.731316     -3.278493     -0.423643
  C      -5.505140     -3.577036      0.940695
  C      -5.566471     -2.581772      1.893924
  C      -5.854793     -1.245421      1.512594
  C      -3.457548      6.373692      6.051286
  C      -3.394238      7.681441      5.258434
  C      -3.847530      7.514348      3.809574
  C      -5.328496      7.308671      3.635130
  N      -6.125453      7.507975      4.676433
  C      -7.462255      7.314906      4.501429
  N      -8.089166      6.919593      3.410155
  C      -7.295260      6.701490      2.316593
  C      -7.890242      6.236175      1.115504
  C      -7.106038      5.981872      0.007487
  C      -5.705469      6.192354      0.053492
  C      -5.100986      6.653351      1.209553
  C      -5.877335      6.906847      2.370181
  C      -5.799840      2.946826      6.719608
  C      -6.687364      4.167396      7.000837
  C      -8.177224      3.846111      6.970044
  C      -8.787971      3.540625      5.624142
  N      -8.054188      3.654775      4.521159
  C      -8.680484      3.415822      3.335634
  N      -9.930630      3.073499      3.130005
  C     -10.706851      2.943426      4.249108
  C     -12.066130      2.586627      4.103180
  C     -12.868694      2.466743      5.218195
  C     -12.343682      2.694716      6.510610
  C     -11.020750      3.041457      6.677769
  C     -10.169422      3.172698      5.551597
  H      -3.423821      1.114277      2.893212
  H      -4.588220      1.805739      4.042736
  H      -4.275761     -0.294839      5.490027
  H      -3.638628     -1.052052      4.013641
  H      -6.131213     -1.330851      4.225283
  H      -6.320119      0.421164      4.417824
  H      -6.600005      2.273948      0.328297
  H      -6.193258     -1.740661     -1.874053
  H      -5.680341     -4.080993     -1.161155
  H      -5.284311     -4.605245      1.235512
  H      -5.390064     -2.818562      2.943968
  H      -4.494294      6.006388      6.064622
  H      -3.187469      6.578746      7.106317
  H      -2.362306      8.068274      5.265969
  H      -4.016873      8.428527      5.772243
  H      -3.557800      8.399685      3.216805
  H      -3.319402      6.657940      3.360046
  H      -8.081831      7.502564      5.384078
  H      -8.969802      6.083225      1.105058
  H      -7.563857      5.621512     -0.915550
  H      -5.102910      5.993907     -0.836207
  H      -4.019314      6.801436      1.242384
  H      -6.003602      2.142857      7.455452
  H      -6.084728      2.551505      5.728940
  H      -6.443044      4.584025      7.991917
  H      -6.453491      4.945196      6.256992
  H      -8.404392      3.006451      7.650950
  H      -8.735884      4.703302      7.384729
  H      -8.071933      3.533459      2.433901
  H     -12.445918      2.421729      3.094702
  H     -13.917777      2.196160      5.106754
  H     -12.993865      2.598229      7.381303
  H     -10.633695      3.218199      7.680584
  N      -4.195439      4.072678      3.509875
  N      -5.374086      3.870199      2.770012
  H      -6.179850      4.387086      3.169864
  H      -5.681434      2.854054      2.676723
  H      -5.240544      4.224831      1.804191
100
Coordinates from ORCA-job orca E -6259.505264025931
  N      -2.693895      1.758953      4.777531
  Mo     -3.373202      3.566232      5.091859
  N      -4.380170      3.234464      6.719259
  C      -3.615477      3.056264      7.950076
  C      -2.272978      2.382698      7.651695
  N      -1.561984      3.105489      6.568384
  C      -0.594488      2.262265      5.834238
  C      -1.304110      1.393664      4.760533
  C      -0.961143      4.372345      7.029800
  C      -1.190095      5.379629      5.920344
  N      -2.585708      5.308979      5.530606
  H      -0.845204      1.564679      3.767170
  H      -1.180044      0.319835      4.989090
  H       0.125587      2.934357      5.353284
  H      -0.029989      1.633475      6.542292
  H      -0.925157      6.400125      6.241776
  H      -0.539331      5.143747      5.059610
  H      -1.478634      4.697618      7.941894
  H       0.107548      4.246238      7.275441
  H      -4.174337      2.431664      8.665164
  H      -3.439310      4.027400      8.447143
  H      -2.453422      1.359863      7.301363
  H      -1.653823      2.332570      8.566965
  C      -3.688462      1.122989      3.958226
  C      -4.210017     -0.254540      4.384221
  C      -5.678927     -0.401097      3.914270
  C      -5.892631     -0.192043      2.436469
  N      -6.164311      1.048089      2.006033
  C      -6.381622      1.220702      0.672701
  N      -6.355466      0.305468     -0.271644
  C      -6.061145     -0.967565      0.130361
  C      -5.996452     -2.001806     -0.834828
  C      -5.691339     -3.290393     -0.444694
  C      -5.444128     -3.595492      0.914483
  C      -5.505815     -2.608050      1.876247
  C      -5.815688     -1.272908      1.508909
  C      -3.463510      6.363809      6.040143
  C      -3.389620      7.670432      5.246692
  C      -3.852761      7.504161      3.800610
  C      -5.337859      7.319285      3.637096
  N      -6.124667      7.537621      4.682490
  C      -7.465201      7.363347      4.517787
  N      -8.105354      6.968469      3.433756
  C      -7.322074      6.728661      2.337037
  C      -7.931389      6.260231      1.144529
  C      -7.158058      5.983306      0.034184
  C      -5.754702      6.175501      0.068683
  C      -5.136100      6.640829      1.215871
  C      -5.900961      6.914983      2.379434
  C      -5.804841      2.936590      6.713525
  C      -6.680865      4.170453      6.974935
  C      -8.174558      3.867946      6.944197
  C      -8.792443      3.562017      5.601251
  N      -8.062311      3.658140      4.493399
  C      -8.697934      3.418332      3.312114
  N      -9.954242      3.094551      3.114680
  C     -10.727066      2.983639      4.238344
  C     -12.092439      2.646992      4.100561
  C     -12.890923      2.544579      5.220528
  C     -12.355539      2.770299      6.509516
  C     -11.026644      3.098179      6.668602
  C     -10.179159      3.211854      5.537202
  H      -3.405447      1.108237      2.885147
  H      -4.571782      1.777679      4.043553
  H      -4.212909     -0.328089      5.481288
  H      -3.576670     -1.064600      3.994193
  H      -6.062403     -1.382722      4.223403
  H      -6.276648      0.364644      4.430977
  H      -6.612806      2.245717      0.358959
  H      -6.189340     -1.748115     -1.877739
  H      -5.639939     -4.086965     -1.188918
  H      -5.206584     -4.622646      1.198706
  H      -5.312534     -2.850054      2.922070
  H      -4.500793      5.998338      6.043500
  H      -3.204588      6.569461      7.097938
  H      -2.353667      8.046147      5.248833
  H      -4.002067      8.424596      5.762367
  H      -3.552549      8.381584      3.201352
  H      -3.340785      6.636911      3.352800
  H      -8.075866      7.567971      5.402893
  H      -9.013030      6.122193      1.142366
  H      -7.626855      5.619660     -0.882131
  H      -5.161056      5.960146     -0.823125
  H      -4.052726      6.778608      1.238286
  H      -6.020487      2.143121      7.457469
  H      -6.087945      2.532416      5.725786
  H      -6.435482      4.596838      7.961854
  H      -6.434453      4.936463      6.222620
  H      -8.412687      3.035681      7.630641
  H      -8.721733      4.734643      7.354229
  H      -8.093119      3.518393      2.405662
  H     -12.479512      2.482770      3.094413
  H     -13.944616      2.289275      5.115677
  H     -13.002342      2.687340      7.384306
  H     -10.632243      3.273412      7.669058
  N      -4.228400      4.063316      3.531166
  N      -5.419572      3.864691      2.812349
  H      -6.229034      4.349328      3.245317
  H      -5.705487      2.844897      2.706451
  H      -5.312298      4.239307      1.849905
100
Coordinates from ORCA-job orca E -6259.506749534637
  N      -2.677029      1.763771      4.767327
  Mo     -3.373501      3.557974      5.097291
  N      -4.380596      3.217459      6.721142
  C      -3.617682      3.032970      7.951818
  C      -2.271891      2.367963      7.649895
  N      -1.562472      3.102145      6.572819
  C      -0.585965      2.269553      5.839598
  C      -1.286675      1.399540      4.762131
  C      -0.971734      4.370256      7.042742
  C      -1.194100      5.375096      5.930921
  N      -2.586729      5.300166      5.533041
  H      -0.820110      1.570398      3.772365
  H      -1.164478      0.325571      4.991620
  H       0.131113      2.948263      5.363568
  H      -0.019412      1.642083      6.547281
  H      -0.934127      6.397088      6.251670
  H      -0.537512      5.138851      5.074794
  H      -1.501087      4.692721      7.949015
  H       0.094948      4.248702      7.299913
  H      -4.175334      2.401157      8.661744
  H      -3.445754      4.001034      8.456834
  H      -2.447685      1.346998      7.291004
  H      -1.653871      2.312418      8.565655
  C      -3.665110      1.114428      3.953560
  C      -4.163180     -0.272501      4.375607
  C      -5.633857     -0.437302      3.916512
  C      -5.864722     -0.221606      2.441830
  N      -6.151605      1.018336      2.020116
  C      -6.384298      1.195568      0.689884
  N      -6.363348      0.285084     -0.258943
  C      -6.055489     -0.987613      0.133981
  C      -5.996995     -2.017042     -0.836406
  C      -5.676469     -3.304824     -0.456120
  C      -5.406733     -3.613915      0.898167
  C      -5.462705     -2.631377      1.864961
  C      -5.789370     -1.297310      1.507989
  C      -3.468309      6.357347      6.030316
  C      -3.383702      7.661872      5.235538
  C      -3.854705      7.494563      3.792092
  C      -5.343163      7.328409      3.638185
  N      -6.119971      7.561315      4.688222
  C      -7.463308      7.402803      4.533366
  N      -8.115214      7.008766      3.456310
  C      -7.342489      6.751926      2.355890
  C      -7.965052      6.281534      1.171235
  C      -7.202679      5.988145      0.057226
  C      -5.797435      6.166945      0.079737
  C      -5.166067      6.634894      1.218931
  C      -5.919570      6.923300      2.386755
  C      -5.808135      2.929661      6.712126
  C      -6.675794      4.173773      6.955611
  C      -8.171881      3.885469      6.921129
  C      -8.793656      3.583456      5.579495
  N      -8.066214      3.673103      4.469203
  C      -8.707534      3.434715      3.290351
  N      -9.967384      3.121491      3.097098
  C     -10.737927      3.018212      4.222889
  C     -12.106814      2.691988      4.089028
  C     -12.902395      2.594385      5.211116
  C     -12.360389      2.814635      6.498242
  C     -11.028067      3.133166      6.653354
  C     -10.183351      3.242186      5.519629
  H      -3.388328      1.106770      2.878729
  H      -4.556500      1.757079      4.045254
  H      -4.156813     -0.354463      5.472233
  H      -3.522313     -1.071045      3.974242
  H      -5.998811     -1.426973      4.222282
  H      -6.238571      0.315679      4.443985
  H      -6.625320      2.220348      0.382661
  H      -6.206418     -1.760190     -1.875420
  H      -5.629733     -4.097682     -1.204317
  H      -5.156378     -4.640237      1.174372
  H      -5.251697     -2.876326      2.906737
  H      -4.505701      5.993314      6.023110
  H      -3.220877      6.563632      7.090704
  H      -2.344093      8.026897      5.232930
  H      -3.986301      8.423165      5.751961
  H      -3.544427      8.363249      3.185589
  H      -3.357449      6.616945      3.348022
  H      -8.065312      7.620914      5.421244
  H      -9.048063      6.154789      1.177716
  H      -7.681547      5.622426     -0.853038
  H      -5.212648      5.939927     -0.815321
  H      -4.081847      6.766612      1.230344
  H      -6.031862      2.146516      7.464672
  H      -6.090242      2.515331      5.728119
  H      -6.432469      4.607658      7.939900
  H      -6.417919      4.930840      6.198013
  H      -8.419133      3.056892      7.608357
  H      -8.711229      4.757728      7.329654
  H      -8.104849      3.525749      2.381474
  H     -12.498315      2.531061      3.084208
  H     -13.958852      2.346498      5.109564
  H     -13.004646      2.734936      7.374867
  H     -10.629202      3.303843      7.652550
  N      -4.256327      4.059221      3.552834
  N      -5.456518      3.863799      2.850858
  H      -6.273585      4.309302      3.312193
  H      -5.715378      2.841727      2.720718
  H      -5.370602      4.264612      1.896657
100
Coordinates from ORCA-job orca E -6259.508315979806
  N      -2.659284      1.759465      4.756375
  Mo     -3.378077      3.537039      5.101445
  N      -4.387424      3.187116      6.721706
  C      -3.625516      3.001290      7.952539
  C      -2.274802      2.347674      7.648802
  N      -1.568038      3.093416      6.577522
  C      -0.580088      2.273649      5.846893
  C      -1.267971      1.399244      4.766119
  C      -0.989964      4.363866      7.055353
  C      -1.206476      5.364559      5.939856
  N      -2.596147      5.282758      5.533469
  H      -0.792232      1.569108      3.780578
  H      -1.146011      0.325907      4.998502
  H       0.131772      2.960471      5.375077
  H      -0.009699      1.650062      6.554940
  H      -0.953059      6.388512      6.259414
  H      -0.542946      5.128009      5.089374
  H      -1.532683      4.683937      7.954390
  H       0.074167      4.249018      7.325838
  H      -4.180296      2.362948      8.658792
  H      -3.459819      3.967487      8.463443
  H      -2.443789      1.328031      7.282922
  H      -1.658103      2.289548      8.565383
  C      -3.638796      1.094622      3.947275
  C      -4.108817     -0.302863      4.364565
  C      -5.578249     -0.487281      3.908119
  C      -5.816270     -0.261391      2.435794
  N      -6.122519      0.978523      2.029206
  C      -6.365138      1.164829      0.702296
  N      -6.339036      0.263656     -0.256120
  C      -6.012091     -1.008195      0.121466
  C      -5.948299     -2.027161     -0.860049
  C      -5.606187     -3.313382     -0.495950
  C      -5.319505     -3.630760      0.852505
  C      -5.381480     -2.658842      1.830354
  C      -5.731116     -1.326839      1.490491
  C      -3.482300      6.343119      6.016699
  C      -3.387120      7.646437      5.220546
  C      -3.868168      7.479795      3.779855
  C      -5.360082      7.335427      3.635895
  N      -6.127338      7.589015      4.688336
  C      -7.473602      7.449120      4.542859
  N      -8.137570      7.052795      3.473930
  C      -7.374865      6.770380      2.372750
  C      -8.010339      6.292760      1.198337
  C      -7.258146      5.974906      0.084004
  C      -5.850897      6.138154      0.095096
  C      -5.206556      6.614343      1.223795
  C      -5.949312      6.924648      2.392906
  C      -5.819260      2.916360      6.712260
  C      -6.667810      4.178198      6.934791
  C      -8.169327      3.918112      6.906189
  C      -8.804127      3.618597      5.570056
  N      -8.083668      3.685973      4.452903
  C      -8.737047      3.445479      3.280130
  N     -10.003918      3.155576      3.098771
  C     -10.768685      3.078746      4.231038
  C     -12.144672      2.779529      4.108987
  C     -12.933863      2.706200      5.238041
  C     -12.378097      2.924265      6.520078
  C     -11.038684      3.217054      6.663600
  C     -10.200126      3.301707      5.522545
  H      -3.367664      1.095644      2.870963
  H      -4.539067      1.721847      4.044072
  H      -4.096596     -0.393583      5.460504
  H      -3.457147     -1.087935      3.954382
  H      -5.926220     -1.485261      4.205706
  H      -6.193488      0.251025      4.443955
  H      -6.620362      2.189186      0.406540
  H      -6.170220     -1.763361     -1.894411
  H      -5.554937     -4.098231     -1.252725
  H      -5.051109     -4.655287      1.115833
  H      -5.156692     -2.910574      2.867253
  H      -4.519881      5.980579      5.997952
  H      -3.247844      6.550974      7.079919
  H      -2.343638      8.000020      5.212295
  H      -3.979298      8.415058      5.738437
  H      -3.546822      8.339392      3.165977
  H      -3.388182      6.590782      3.338505
  H      -8.067061      7.686601      5.431498
  H      -9.094883      6.179518      1.212664
  H      -7.746998      5.602742     -0.818234
  H      -5.274595      5.893436     -0.800759
  H      -4.120879      6.738596      1.224499
  H      -6.055951      2.149027      7.476954
  H      -6.105008      2.489532      5.734860
  H      -6.417381      4.622857      7.912374
  H      -6.395909      4.919745      6.166845
  H      -8.430047      3.099569      7.600640
  H      -8.690308      4.802737      7.311220
  H      -8.139081      3.512479      2.365891
  H     -12.546135      2.618779      3.107673
  H     -13.995662      2.479082      5.145905
  H     -13.017218      2.863541      7.402401
  H     -10.629865      3.386599      7.659297
  N      -4.287887      4.036586      3.571639
  N      -5.494806      3.841859      2.881454
  H      -6.314814      4.256091      3.370091
  H      -5.733590      2.817098      2.739931
  H      -5.430236      4.259233      1.931977
100
Coordinates from ORCA-job orca E -6259.509490154618
  N      -2.647973      1.761906      4.747712
  Mo     -3.383246      3.527544      5.107088
  N      -4.394965      3.168211      6.723250
  C      -3.635434      2.977148      7.954483
  C      -2.281758      2.330989      7.648354
  N      -1.576356      3.087266      6.583178
  C      -0.578845      2.277780      5.854653
  C      -1.256867      1.401552      4.770687
  C      -1.006744      4.358354      7.069602
  C      -1.215002      5.357763      5.951906
  N      -2.601808      5.273107      5.537310
  H      -0.772564      1.569395      3.788926
  H      -1.137804      0.328214      5.005709
  H       0.129635      2.971195      5.387237
  H      -0.006275      1.656455      6.563141
  H      -0.965336      6.382636      6.271661
  H      -0.545682      5.120677      5.106192
  H      -1.561103      4.676289      7.962325
  H       0.054961      4.246288      7.352045
  H      -4.188942      2.331717      8.655699
  H      -3.474407      3.940414      8.472929
  H      -2.446798      1.313390      7.274361
  H      -1.666196      2.267514      8.565325
  C      -3.619927      1.087984      3.940742
  C      -4.070736     -0.317975      4.350515
  C      -5.538221     -0.521449      3.895210
  C      -5.781170     -0.290344      2.424246
  N      -6.098259      0.948605      2.023268
  C      -6.344506      1.138827      0.697353
  N      -6.316325      0.241810     -0.264903
  C      -5.979379     -1.029071      0.106883
  C      -5.913553     -2.043816     -0.878914
  C      -5.558788     -3.328443     -0.521670
  C      -5.260551     -3.648434      0.824178
  C      -5.325219     -2.680956      1.806257
  C      -5.689280     -1.350835      1.473673
  C      -3.489216      6.338670      6.004803
  C      -3.378955      7.636889      5.203402
  C      -3.866934      7.464707      3.765822
  C      -5.361564      7.341657      3.630199
  N      -6.118789      7.615217      4.684915
  C      -7.467292      7.492471      4.548495
  N      -8.142319      7.093010      3.488186
  C      -7.389989      6.788108      2.386095
  C      -8.038508      6.305354      1.221124
  C      -7.297694      5.967863      0.105031
  C      -5.889131      6.118039      0.103860
  C      -5.232246      6.599504      1.222914
  C      -5.963427      6.926749      2.394881
  C      -5.830027      2.910607      6.713385
  C      -6.666956      4.183042      6.921863
  C      -8.171425      3.940020      6.899232
  C      -8.817417      3.643159      5.568111
  N      -8.103866      3.699031      4.445770
  C      -8.766710      3.457571      3.277914
  N     -10.037793      3.180687      3.105368
  C     -10.796602      3.117918      4.242677
  C     -12.176964      2.833191      4.129584
  C     -12.960041      2.771310      5.263459
  C     -12.393481      2.986685      6.541575
  C     -11.049632      3.265998      6.676374
  C     -10.217127      3.339205      5.530049
  H      -3.352609      1.096729      2.863495
  H      -4.526908      1.705599      4.042254
  H      -4.054752     -0.416880      5.445940
  H      -3.410300     -1.091463      3.932284
  H      -5.869717     -1.526742      4.186454
  H      -6.164129      0.203702      4.436933
  H      -6.606095      2.162701      0.405781
  H      -6.143444     -1.777857     -1.911256
  H      -5.505853     -4.109890     -1.281876
  H      -4.981077     -4.671356      1.081883
  H      -5.091092     -2.934464      2.840879
  H      -4.527305      5.979933      5.974249
  H      -3.267835      6.549693      7.070115
  H      -2.331223      7.976937      5.190013
  H      -3.959397      8.415771      5.718631
  H      -3.533614      8.311649      3.141255
  H      -3.403521      6.562986      3.332987
  H      -8.052461      7.748121      5.437465
  H      -9.124039      6.203937      1.243870
  H      -7.796645      5.591342     -0.789813
  H      -5.322011      5.859941     -0.794049
  H      -4.146403      6.718520      1.211931
  H      -6.074337      2.155232      7.487299
  H      -6.118593      2.473985      5.741168
  H      -6.410974      4.635516      7.894334
  H      -6.387786      4.914114      6.146419
  H      -8.438928      3.127086      7.597602
  H      -8.680173      4.832034      7.303514
  H      -8.172934      3.511207      2.359919
  H     -12.586222      2.673471      3.131076
  H     -14.025280      2.554942      5.178353
  H     -13.027661      2.934585      7.427880
  H     -10.632973      3.433479      7.669260
  N      -4.311170      4.030855      3.587949
  N      -5.522680      3.837896      2.904044
  H      -6.351010      4.213275      3.412963
  H      -5.734976      2.813243      2.733118
  H      -5.471392      4.282514      1.967037
100
Coordinates from ORCA-job orca E -6259.510859536533
  N      -2.633796      1.757577      4.739406
  Mo     -3.390117      3.507542      5.114467
  N      -4.404056      3.140239      6.727549
  C      -3.644594      2.948099      7.958922
  C      -2.285950      2.312339      7.649946
  N      -1.584158      3.078786      6.588026
  C      -0.575711      2.280910      5.862409
  C      -1.242591      1.398880      4.777658
  C      -1.025410      4.352953      7.080314
  C      -1.227938      5.347539      5.958408
  N      -2.612411      5.256631      5.536620
  H      -0.748732      1.563126      3.800000
  H      -1.125803      0.326247      5.017538
  H       0.126821      2.981770      5.397223
  H       0.001428      1.665001      6.572067
  H      -0.983820      6.374560      6.275483
  H      -0.553004      5.108835      5.117667
  H      -1.591664      4.670059      7.965853
  H       0.033832      4.246141      7.374759
  H      -4.194678      2.296062      8.657173
  H      -3.489725      3.909703      8.482773
  H      -2.444792      1.295593      7.270243
  H      -1.670407      2.247282      8.566864
  C      -3.598847      1.068192      3.937891
  C      -4.019557     -0.348091      4.341592
  C      -5.485318     -0.574356      3.892047
  C      -5.740961     -0.328077      2.425570
  N      -6.081106      0.910661      2.043641
  C      -6.339404      1.113592      0.722167
  N      -6.304990      0.229515     -0.251936
  C      -5.946571     -1.040659      0.101032
  C      -5.876255     -2.042036     -0.897812
  C      -5.498505     -3.325295     -0.560310
  C      -5.180380     -3.656738      0.777912
  C      -5.249956     -2.702857      1.772585
  C      -5.638861     -1.374853      1.460781
  C      -3.503192      6.325909      5.989130
  C      -3.380393      7.621559      5.184378
  C      -3.876877      7.449895      3.749016
  C      -5.373784      7.346890      3.620810
  N      -6.122793      7.638205      4.676715
  C      -7.473409      7.532652      4.546891
  N      -8.157652      7.131628      3.493071
  C      -7.413753      6.804871      2.391396
  C      -8.072421      6.317167      1.234497
  C      -7.340337      5.959856      0.118542
  C      -5.930574      6.097075      0.108231
  C      -5.263196      6.584162      1.218902
  C      -5.985647      6.927953      2.392107
  C      -5.842750      2.899748      6.718022
  C      -6.661439      4.188084      6.905034
  C      -8.169702      3.970495      6.890630
  C      -8.827526      3.678445      5.565139
  N      -8.120550      3.722153      4.438505
  C      -8.792089      3.482415      3.275653
  N     -10.067796      3.222274      3.111944
  C     -10.821239      3.174573      4.253165
  C     -12.206044      2.907746      4.148521
  C     -12.983159      2.858154      5.286618
  C     -12.405999      3.068744      6.560380
  C     -11.057778      3.331323      6.686859
  C     -10.231135      3.391632      5.536101
  H      -3.338844      1.085698      2.858665
  H      -4.513031      1.671674      4.045046
  H      -3.994708     -0.457114      5.435856
  H      -3.348583     -1.106212      3.911935
  H      -5.793707     -1.590417      4.171291
  H      -6.122661      0.130187      4.446994
  H      -6.618111      2.136802      0.444945
  H      -6.121097     -1.766828     -1.924022
  H      -5.442264     -4.096433     -1.330383
  H      -4.881615     -4.677967      1.019903
  H      -5.000255     -2.965635      2.801039
  H      -4.541279      5.968922      5.945280
  H      -3.296196      6.539080      7.056944
  H      -2.328435      7.948365      5.165415
  H      -3.949465      8.408449      5.700100
  H      -3.532153      8.286476      3.116635
  H      -3.430065      6.536987      3.321081
  H      -8.051452      7.805755      5.435506
  H      -9.158904      6.228008      1.262629
  H      -7.847333      5.578848     -0.769856
  H      -5.370748      5.826047     -0.790740
  H      -4.176575      6.699343      1.197876
  H      -6.097859      2.161660      7.504923
  H      -6.135166      2.449768      5.752872
  H      -6.396701      4.652535      7.869584
  H      -6.371618      4.902616      6.118181
  H      -8.447041      3.165635      7.594082
  H      -8.661558      4.872331      7.294244
  H      -8.201613      3.521733      2.354838
  H     -12.622966      2.750488      3.153102
  H     -14.051807      2.654896      5.208369
  H     -13.035283      3.026118      7.450272
  H     -10.633510      3.495036      7.676818
  N      -4.344559      4.007510      3.612015
  N      -5.559523      3.816647      2.936344
  H      -6.390238      4.164683      3.466891
  H      -5.754586      2.792269      2.749745
  H      -5.526312      4.278266      2.005856
100
Coordinates from ORCA-job orca E -6259.511932523202
  N      -2.625605      1.756300      4.731172
  Mo     -3.398280      3.493499      5.121815
  N      -4.413047      3.116588      6.731511
  C      -3.654121      2.922408      7.962952
  C      -2.291913      2.295535      7.651053
  N      -1.593222      3.070620      6.592343
  C      -0.576571      2.281992      5.868331
  C      -1.234894      1.397017      4.782316
  C      -1.041315      4.345799      7.090582
  C      -1.238894      5.338953      5.966943
  N      -2.621478      5.244377      5.539811
  H      -0.732819      1.557786      3.808253
  H      -1.121469      0.324689      5.025955
  H       0.121210      2.988998      5.405293
  H       0.004274      1.669597      6.578089
  H      -0.998278      6.366815      6.283919
  H      -0.559831      5.100218      5.129691
  H      -1.616104      4.661553      7.971103
  H       0.015768      4.241549      7.393805
  H      -4.200830      2.263589      8.657698
  H      -3.504887      3.882000      8.492477
  H      -2.446129      1.280052      7.265620
  H      -1.676229      2.228029      8.567615
  C      -3.583680      1.058281      3.931497
  C      -3.983857     -0.365667      4.328237
  C      -5.445946     -0.610850      3.876099
  C      -5.702546     -0.360295      2.410388
  N      -6.054469      0.876677      2.034127
  C      -6.313583      1.083154      0.713157
  N      -6.272391      0.203705     -0.265049
  C      -5.901901     -1.064386      0.082110
  C      -5.823468     -2.060393     -0.921761
  C      -5.431338     -3.340807     -0.591099
  C      -5.106198     -3.674539      0.745248
  C      -5.184323     -2.726237      1.744938
  C      -5.588982     -1.401370      1.440331
  C      -3.512832      6.319099      5.977332
  C      -3.376957      7.610175      5.167419
  C      -3.881700      7.434975      3.735375
  C      -5.380714      7.355326      3.614475
  N      -6.120284      7.669385      4.670510
  C      -7.472677      7.583897      4.547380
  N      -8.167383      7.181058      3.501403
  C      -7.433432      6.829357      2.400883
  C      -8.104333      6.335870      1.253714
  C      -7.382836      5.954332      0.139214
  C      -5.971759      6.073655      0.119862
  C      -5.292426      6.565934      1.220797
  C      -6.004173      6.932162      2.393420
  C      -5.854199      2.889586      6.722360
  C      -6.659374      4.189278      6.891987
  C      -8.170578      3.991566      6.886580
  C      -8.841910      3.703919      5.566850
  N      -8.143694      3.735971      4.433927
  C      -8.826155      3.499462      3.276354
  N     -10.106184      3.255556      3.123008
  C     -10.852013      3.222478      4.270234
  C     -12.241439      2.975149      4.176314
  C     -13.011092      2.939657      5.320414
  C     -12.421604      3.145283      6.589640
  C     -11.068614      3.389003      6.705766
  C     -10.249405      3.434961      5.548598
  H      -3.327734      1.083896      2.851559
  H      -4.503768      1.651653      4.043786
  H      -3.956934     -0.481282      5.421960
  H      -3.302954     -1.111743      3.893159
  H      -5.739497     -1.632952      4.148375
  H      -6.094356      0.080711      4.434677
  H      -6.600222      2.105192      0.440159
  H      -6.073116     -1.783018     -1.946437
  H      -5.368617     -4.107701     -1.365217
  H      -4.794992     -4.693031      0.981805
  H      -4.928623     -2.990897      2.771536
  H      -4.551258      5.965618      5.923055
  H      -3.317675      6.536027      7.046612
  H      -2.321334      7.923899      5.142572
  H      -3.934556      8.406340      5.681236
  H      -3.525274      8.259214      3.093523
  H      -3.452719      6.510204      3.314619
  H      -8.042619      7.877102      5.434709
  H      -9.191796      6.261578      1.288031
  H      -7.899412      5.568589     -0.741496
  H      -5.420395      5.785191     -0.778458
  H      -4.205274      6.670344      1.191149
  H      -6.117572      2.165768      7.519614
  H      -6.149289      2.428546      5.763091
  H      -6.385501      4.664106      7.849008
  H      -6.363747      4.889963      6.094598
  H      -8.454616      3.193325      7.594941
  H      -8.647589      4.901368      7.289937
  H      -8.240807      3.526391      2.351585
  H     -12.667663      2.820997      3.184172
  H     -14.083246      2.751521      5.250496
  H     -13.045042      3.113846      7.484374
  H     -10.635066      3.549402      7.692449
  N      -4.368649      3.995275      3.628028
  N      -5.587899      3.802391      2.958391
  H      -6.423986      4.112971      3.507832
  H      -5.758492      2.779704      2.747015
  H      -5.569641      4.287870      2.040224
100
Coordinates from ORCA-job orca E -6259.513033559665
  N      -2.617515      1.754010      4.724774
  Mo     -3.407081      3.478396      5.131367
  N      -4.421481      3.093475      6.739444
  C      -3.661288      2.900823      7.970560
  C      -2.295621      2.282206      7.654572
  N      -1.601451      3.063954      6.596213
  C      -0.577044      2.283546      5.874084
  C      -1.227723      1.393335      4.789376
  C      -1.055764      4.341297      7.097749
  C      -1.249639      5.331191      5.971092
  N      -2.630967      5.232085      5.540326
  H      -0.717276      1.548148      3.818664
  H      -1.118521      0.321745      5.038930
  H       0.114980      2.996196      5.411023
  H       0.008539      1.676545      6.584676
  H      -1.012504      6.360444      6.286162
  H      -0.567392      5.091344      5.136792
  H      -1.637993      4.657291      7.973380
  H      -0.000503      4.239558      7.408640
  H      -4.203336      2.236446      8.664288
  H      -3.517389      3.859895      8.503239
  H      -2.445690      1.267066      7.265603
  H      -1.678188      2.214409      8.569869
  C      -3.569804      1.045452      3.928742
  C      -3.946849     -0.386203      4.318780
  C      -5.405941     -0.650414      3.867809
  C      -5.668902     -0.391303      2.404599
  N      -6.036202      0.844320      2.039028
  C      -6.300139      1.058146      0.720157
  N      -6.252765      0.186810     -0.264957
  C      -5.868051     -1.079895      0.071731
  C      -5.784056     -2.067460     -0.939866
  C      -5.375974     -3.345754     -0.620686
  C      -5.039398     -3.685473      0.711490
  C      -5.123499     -2.745840      1.718679
  C      -5.545658     -1.423588      1.426171
  C      -3.522541      6.312013      5.963358
  C      -3.373170      7.598777      5.148690
  C      -3.885719      7.421149      3.719575
  C      -5.386333      7.362545      3.606061
  N      -6.116336      7.695982      4.662923
  C      -7.470194      7.628401      4.546774
  N      -8.174892      7.224209      3.508271
  C      -7.451012      6.850440      2.408305
  C      -8.133584      6.352873      1.269976
  C      -7.422642      5.951131      0.155627
  C      -6.010669      6.055309      0.126673
  C      -5.319723      6.551652      1.218579
  C      -6.020935      6.936047      2.392052
  C      -5.864624      2.878176      6.732129
  C      -6.657362      4.188816      6.879629
  C      -8.170881      4.010303      6.880709
  C      -8.852969      3.731155      5.565359
  N      -8.162047      3.758829      4.427990
  C      -8.853065      3.529953      3.274213
  N     -10.136408      3.299085      3.128691
  C     -10.875896      3.271878      4.279972
  C     -12.268661      3.038184      4.193850
  C     -13.031939      3.007564      5.342058
  C     -12.432534      3.204864      6.607695
  C     -11.076103      3.435236      6.716265
  C     -10.263270      3.475844      5.554762
  H      -3.319972      1.079227      2.847488
  H      -4.495262      1.627956      4.046693
  H      -3.914760     -0.509488      5.411618
  H      -3.256755     -1.119303      3.875958
  H      -5.681704     -1.679753      4.131268
  H      -6.064375      0.025432      4.433898
  H      -6.597194      2.079272      0.455131
  H      -6.042076     -1.785066     -1.961144
  H      -5.308984     -4.106083     -1.400742
  H      -4.714492     -4.701752      0.938903
  H      -4.858674     -3.015482      2.741709
  H      -4.561168      5.961912      5.897832
  H      -3.339701      6.532076      7.034187
  H      -2.313881      7.899124      5.118375
  H      -3.919145      8.403795      5.660910
  H      -3.518480      8.233405      3.068662
  H      -3.473653      6.485413      3.305743
  H      -8.031798      7.939579      5.433402
  H      -9.221663      6.291826      1.310489
  H      -7.948401      5.561792     -0.718051
  H      -5.467770      5.753148     -0.772475
  H      -4.232181      6.648935      1.179020
  H      -6.134608      2.171544      7.542398
  H      -6.162189      2.401756      5.780831
  H      -6.376018      4.675901      7.828395
  H      -6.355381      4.873969      6.071182
  H      -8.461508      3.216731      7.591075
  H      -8.634581      4.926211      7.285941
  H      -8.271612      3.551606      2.346833
  H     -12.702357      2.889735      3.204287
  H     -14.106703      2.829581      5.278330
  H     -13.050897      3.177233      7.505784
  H     -10.635165      3.589006      7.700460
  N      -4.396292      3.978395      3.649271
  N      -5.617461      3.781590      2.983792
  H      -6.458104      4.058987      3.550051
  H      -5.765865      2.761604      2.750279
  H      -5.614617      4.288279      2.076591
100
Coordinates from ORCA-job orca E -6259.513934964662
  N      -2.610178      1.753938      4.716312
  Mo     -3.417213      3.464969      5.140169
  N      -4.431814      3.069522      6.746518
  C      -3.670187      2.879038      7.977213
  C      -2.301589      2.268510      7.657130
  N      -1.612691      3.057462      6.599583
  C      -0.579880      2.286640      5.878953
  C      -1.221669      1.391861      4.795056
  C      -1.071962      4.335791      7.105420
  C      -1.260704      5.323860      5.976425
  N      -2.640554      5.221524      5.542097
  H      -0.702339      1.540312      3.827946
  H      -1.116825      0.321093      5.051019
  H       0.105341      3.006148      5.416164
  H       0.011276      1.685375      6.590004
  H      -1.026284      6.353752      6.291458
  H      -0.575070      5.083730      5.145100
  H      -1.661507      4.651797      7.976241
  H      -0.018776      4.234973      7.424346
  H      -4.206906      2.208605      8.669890
  H      -3.531916      3.837507      8.513086
  H      -2.448035      1.254146      7.264108
  H      -1.681901      2.199918      8.570749
  C      -3.555654      1.037779      3.921690
  C      -3.911766     -0.401356      4.303260
  C      -5.366008     -0.684366      3.848291
  C      -5.627291     -0.421825      2.385605
  N      -6.003622      0.812074      2.024964
  C      -6.265509      1.029991      0.706436
  N      -6.211555      0.163184     -0.282234
  C      -5.818548     -1.102116      0.049806
  C      -5.728295     -2.084890     -0.965819
  C      -5.309750     -3.361016     -0.652407
  C      -4.968221     -3.703111      0.677985
  C      -5.059270     -2.768593      1.689246
  C      -5.493348     -1.448800      1.402843
  C      -3.531138      6.307300      5.950569
  C      -3.369888      7.589380      5.130160
  C      -3.892397      7.408746      3.704966
  C      -5.394284      7.369046      3.599984
  N      -6.114812      7.721899      4.657171
  C      -7.469596      7.669239      4.548551
  N      -8.183735      7.260380      3.518954
  C      -7.469744      6.864659      2.420330
  C      -8.163547      6.359742      1.292389
  C      -7.463001      5.937975      0.179002
  C      -6.050472      6.030384      0.139508
  C      -5.348571      6.533770      1.220789
  C      -6.039494      6.936369      2.394411
  C      -5.876422      2.864095      6.742635
  C      -6.658320      4.183095      6.871117
  C      -8.174020      4.022544      6.881378
  C      -8.869088      3.750287      5.571333
  N      -8.186304      3.763296      4.428375
  C      -8.887863      3.544672      3.278659
  N     -10.175440      3.336695      3.142116
  C     -10.907574      3.324669      4.298620
  C     -12.304666      3.116385      4.221753
  C     -13.061084      3.102262      5.375100
  C     -12.450293      3.291348      6.636890
  C     -11.089339      3.496631      6.736623
  C     -10.283318      3.519696      5.569659
  H      -3.310724      1.081165      2.839744
  H      -4.486934      1.609839      4.045048
  H      -3.877705     -0.531634      5.395390
  H      -3.211560     -1.121621      3.855241
  H      -5.627603     -1.718895      4.105087
  H      -6.035595     -0.020965      4.416276
  H      -6.567688      2.050463      0.445164
  H      -5.989631     -1.800228     -1.985600
  H      -5.237881     -4.117550     -1.435730
  H      -4.633872     -4.717149      0.900875
  H      -4.790396     -3.040497      2.710509
  H      -4.569814      5.960215      5.875158
  H      -3.359846      6.531714      7.022444
  H      -2.307335      7.876890      5.092415
  H      -3.903859      8.403100      5.641184
  H      -3.516846      8.209523      3.044511
  H      -3.496437      6.463094      3.297392
  H      -8.023201      7.998576      5.433680
  H      -9.251970      6.309294      1.339930
  H      -7.997587      5.542542     -0.686363
  H      -5.515839      5.714418     -0.759616
  H      -4.260994      6.625985      1.170701
  H      -6.150947      2.174271      7.565341
  H      -6.177480      2.372345      5.800201
  H      -6.367198      4.681435      7.810774
  H      -6.353163      4.853471      6.051926
  H      -8.469887      3.234368      7.595590
  H      -8.623992      4.945013      7.287518
  H      -8.310921      3.555887      2.348173
  H     -12.747167      2.973725      3.234985
  H     -14.139201      2.944095      5.318518
  H     -13.063374      3.277224      7.539078
  H     -10.639694      3.644550      7.718049
  N      -4.421288      3.964455      3.666886
  N      -5.643316      3.760614      3.000768
  H      -6.489804      4.004434      3.580453
  H      -5.767669      2.744194      2.741909
  H      -5.653992      4.290362      2.107752
100
Coordinates from ORCA-job orca E -6259.514786380166
  N      -2.607020      1.754253      4.709739
  Mo     -3.430726      3.451610      5.153876
  N      -4.444398      3.046453      6.759788
  C      -3.679431      2.857717      7.989068
  C      -2.308480      2.254484      7.662411
  N      -1.626993      3.050473      6.603940
  C      -0.586191      2.289031      5.883969
  C      -1.220837      1.387912      4.803508
  C      -1.089668      4.330276      7.112959
  C      -1.272192      5.315389      5.980144
  N      -2.650945      5.210694      5.542292
  H      -0.692085      1.526432      3.839967
  H      -1.122920      0.318375      5.068419
  H       0.090506      3.015315      5.419081
  H       0.012217      1.695298      6.595390
  H      -1.039516      6.346203      6.293527
  H      -0.583570      5.073075      5.151990
  H      -1.685976      4.648178      7.978585
  H      -0.038596      4.229138      7.439794
  H      -4.209805      2.181079      8.681253
  H      -3.545709      3.815448      8.528024
  H      -2.452563      1.240853      7.265762
  H      -1.684496      2.185309      8.572953
  C      -3.548008      1.029234      3.918664
  C      -3.879751     -0.418031      4.290776
  C      -5.329320     -0.722778      3.835785
  C      -5.595055     -0.449949      2.376114
  N      -5.988057      0.781920      2.028132
  C      -6.249623      1.010475      0.711368
  N      -6.183386      0.154957     -0.286331
  C      -5.775467     -1.108764      0.033574
  C      -5.673427     -2.079895     -0.992031
  C      -5.237895     -3.353406     -0.691971
  C      -4.890080     -3.704230      0.634758
  C      -4.993133     -2.781622      1.655595
  C      -5.445843     -1.465042      1.383101
  C      -3.538848      6.304419      5.932491
  C      -3.361339      7.578544      5.102569
  C      -3.891739      7.391028      3.681143
  C      -5.394485      7.369075      3.583168
  N      -6.105769      7.741999      4.639565
  C      -7.461392      7.704976      4.537119
  N      -8.184361      7.292467      3.515440
  C      -7.479866      6.875128      2.418799
  C      -8.184295      6.365518      1.299671
  C      -7.493932      5.924428      0.187519
  C      -6.081018      6.002976      0.139276
  C      -5.368476      6.510638      1.211533
  C      -6.049520      6.930837      2.385130
  C      -5.890376      2.851140      6.761433
  C      -6.661459      4.178124      6.867805
  C      -8.178595      4.034137      6.887445
  C      -8.885231      3.768129      5.582609
  N      -8.209664      3.766703      4.435370
  C      -8.920461      3.558431      3.289260
  N     -10.211761      3.371058      3.160728
  C     -10.937122      3.371558      4.321169
  C     -12.337727      3.183757      4.252414
  C     -13.087620      3.182807      5.409713
  C     -12.466685      3.365357      6.667671
  C     -11.102137      3.550615      6.759669
  C     -10.302646      3.559358      5.588513
  H      -3.311037      1.082944      2.835290
  H      -4.483512      1.590663      4.049684
  H      -3.839567     -0.557368      5.381663
  H      -3.169724     -1.123221      3.834088
  H      -5.570787     -1.764919      4.081213
  H      -6.010614     -0.078227      4.411342
  H      -6.563032      2.029939      0.459906
  H      -5.939299     -1.787954     -2.008761
  H      -5.156992     -4.100884     -1.483066
  H      -4.541090     -4.715480      0.847254
  H      -4.719068     -3.060884      2.673619
  H      -4.577917      5.961928      5.845101
  H      -3.381174      6.535516      7.004956
  H      -2.294957      7.850488      5.058048
  H      -3.882126      8.403315      5.608787
  H      -3.507202      8.177690      3.009195
  H      -3.511178      6.434704      3.283769
  H      -8.007210      8.053063      5.419954
  H      -9.272944      6.327682      1.352416
  H      -8.036990      5.524969     -0.670726
  H      -5.554472      5.673863     -0.759781
  H      -4.281163      6.597268      1.151340
  H      -6.168014      2.180789      7.598656
  H      -6.195885      2.341263      5.830058
  H      -6.360548      4.689733      7.796894
  H      -6.353609      4.831633      6.036533
  H      -8.478192      3.250612      7.604955
  H      -8.616234      4.962231      7.294854
  H      -8.347264      3.561484      2.356453
  H     -12.788140      3.045485      3.268481
  H     -14.168505      3.040154      5.359417
  H     -13.074668      3.361831      7.573110
  H     -10.644703      3.693303      7.738363
  N      -4.454231      3.949768      3.692766
  N      -5.677022      3.740247      3.027092
  H      -6.526584      3.959745      3.619802
  H      -5.783588      2.728148      2.746468
  H      -5.702838      4.290115      2.146669
100
Coordinates from ORCA-job orca E -6259.515537813769
  N      -2.602735      1.754840      4.702080
  Mo     -3.444474      3.437658      5.166527
  N      -4.459074      3.019962      6.770188
  C      -3.692141      2.834744      7.999344
  C      -2.318240      2.240091      7.668727
  N      -1.643916      3.043461      6.610015
  C      -0.593780      2.292527      5.891666
  C      -1.218867      1.384995      4.813589
  C      -1.111202      4.324403      7.123419
  C      -1.286956      5.307891      5.987818
  N      -2.663430      5.200347      5.543552
  H      -0.678648      1.513772      3.854953
  H      -1.127881      0.316985      5.087892
  H       0.073762      3.026471      5.425416
  H       0.011900      1.707126      6.604017
  H      -1.057555      6.339085      6.301923
  H      -0.593543      5.065650      5.163909
  H      -1.715087      4.642815      7.983649
  H      -0.062996      4.222856      7.459009
  H      -4.216555      2.152260      8.690972
  H      -3.564462      3.792330      8.540370
  H      -2.458272      1.227045      7.268704
  H      -1.690921      2.171723      8.576853
  C      -3.537569      1.022281      3.911091
  C      -3.844941     -0.432266      4.272405
  C      -5.288282     -0.758337      3.813320
  C      -5.555416     -0.476964      2.355875
  N      -5.963597      0.752483      2.018934
  C      -6.225000      0.989932      0.703958
  N      -6.147143      0.144498     -0.300919
  C      -5.725164     -1.117192      0.008398
  C      -5.612434     -2.077734     -1.025376
  C      -5.162337     -3.348532     -0.736835
  C      -4.809736     -3.706786      0.586390
  C      -4.923481     -2.794893      1.615082
  C      -5.391816     -1.481524      1.354500
  C      -3.550727      6.299963      5.916278
  C      -3.360879      7.568451      5.078931
  C      -3.896499      7.377744      3.659754
  C      -5.399599      7.368004      3.564791
  N      -6.106463      7.757222      4.618173
  C      -7.462215      7.730287      4.517835
  N      -8.189266      7.312152      3.502128
  C      -7.489557      6.877166      2.409334
  C      -8.199237      6.359947      1.297450
  C      -7.513797      5.902137      0.189261
  C      -6.100584      5.971527      0.137305
  C      -5.382699      6.485792      1.202362
  C      -6.059112      6.922120      2.372525
  C      -5.906469      2.836828      6.778139
  C      -6.664790      4.171892      6.865689
  C      -8.183273      4.045061      6.900286
  C      -8.905312      3.783065      5.603125
  N      -8.239305      3.758499      4.450409
  C      -8.961583      3.559325      3.309325
  N     -10.257059      3.399301      3.191655
  C     -10.973435      3.422025      4.357586
  C     -12.377861      3.263775      4.300096
  C     -13.118999      3.285967      5.463018
  C     -12.485448      3.462856      6.715765
  C     -11.116909      3.619618      6.797007
  C     -10.326195      3.604047      5.619861
  H      -3.305786      1.088062      2.827331
  H      -4.478164      1.572009      4.048814
  H      -3.801350     -0.580101      5.362160
  H      -3.123479     -1.121692      3.809661
  H      -5.511427     -1.806944      4.047787
  H      -5.981896     -0.131918      4.393902
  H      -6.549656      2.007963      0.461222
  H      -5.882289     -1.779523     -2.038880
  H      -5.073453     -4.087963     -1.534219
  H      -4.448476     -4.715347      0.790160
  H      -4.645795     -3.080951      2.629846
  H      -4.589369      5.959580      5.816738
  H      -3.407000      6.537332      6.989304
  H      -2.291775      7.828491      5.029596
  H      -3.872337      8.401161      5.581617
  H      -3.505425      8.155165      2.980765
  H      -3.526586      6.414463      3.268550
  H      -8.003977      8.093215      5.397203
  H      -9.288164      6.330287      1.352171
  H      -8.061062      5.496556     -0.663164
  H      -5.577872      5.630171     -0.758886
  H      -4.295367      6.567821      1.137109
  H      -6.187075      2.185165      7.628705
  H      -6.218067      2.311022      5.857806
  H      -6.350160      4.696040      7.782897
  H      -6.356938      4.808335      6.021301
  H      -8.484632      3.267367      7.623564
  H      -8.606863      4.979254      7.308639
  H      -8.393426      3.545081      2.373469
  H     -12.838276      3.129096      3.320159
  H     -14.202797      3.166095      5.421286
  H     -13.086634      3.477775      7.625733
  H     -10.649621      3.758302      7.771786
  N      -4.482010      3.934924      3.714448
  N      -5.702721      3.715109      3.046320
  H      -6.557413      3.906815      3.648126
  H      -5.787247      2.708585      2.744198
  H      -5.743195      4.285130      2.180331
100
Coordinates from ORCA-job orca E -6259.516194736014
  N      -2.607461      1.756793      4.695896
  Mo     -3.464045      3.425190      5.184955
  N      -4.473169      2.996856      6.790524
  C      -3.700309      2.812831      8.016459
  C      -2.325398      2.225766      7.675684
  N      -1.662422      3.036167      6.613792
  C      -0.606074      2.294621      5.892859
  C      -1.227173      1.379740      4.821366
  C      -1.129955      4.318045      7.129132
  C      -1.300663      5.299258      5.990106
  N      -2.676595      5.189817      5.544030
  H      -0.678583      1.494465      3.865706
  H      -1.145457      0.313711      5.107157
  H       0.049972      3.035339      5.420974
  H       0.009955      1.718634      6.603918
  H      -1.072299      6.330940      6.303555
  H      -0.605281      5.055793      5.168310
  H      -1.737930      4.639094      7.985486
  H      -0.083474      4.214593      7.470132
  H      -4.216400      2.123704      8.708019
  H      -3.575980      3.769151      8.560757
  H      -2.464405      1.213517      7.272705
  H      -1.690794      2.157267      8.578585
  C      -3.538983      1.017115      3.908035
  C      -3.822353     -0.445533      4.256974
  C      -5.258592     -0.795140      3.793000
  C      -5.525022     -0.502653      2.337860
  N      -5.949882      0.723783      2.012767
  C      -6.204312      0.973436      0.698467
  N      -6.106848      0.141357     -0.316248
  C      -5.669294     -1.117744     -0.018521
  C      -5.535855     -2.064300     -1.063400
  C      -5.068275     -3.331434     -0.787464
  C      -4.717938     -3.699812      0.534079
  C      -4.851996     -2.802073      1.573281
  C      -5.339415     -1.492991      1.325736
  C      -3.558765      6.299846      5.896469
  C      -3.350375      7.556984      5.046059
  C      -3.894080      7.355388      3.631439
  C      -5.397697      7.362970      3.543322
  N      -6.094488      7.776860      4.593774
  C      -7.450998      7.763808      4.500310
  N      -8.187279      7.336402      3.495222
  C      -7.497654      6.875843      2.406711
  C      -8.218567      6.348113      1.307014
  C      -7.544098      5.867007      0.202235
  C      -6.130743      5.922858      0.140705
  C      -5.401834      6.446000      1.193833
  C      -6.067627      6.905683      2.361395
  C      -5.921781      2.825239      6.807477
  C      -6.668767      4.167917      6.870122
  C      -8.188300      4.057794      6.913871
  C      -8.921294      3.799159      5.621913
  N      -8.261888      3.751574      4.465982
  C      -8.993451      3.561662      3.328643
  N     -10.292391      3.427968      3.218090
  C     -11.002177      3.471478      4.387210
  C     -12.409929      3.339837      4.337503
  C     -13.144759      3.382874      5.503697
  C     -12.501644      3.554970      6.752385
  C     -11.129725      3.686259      6.826231
  C     -10.345365      3.648474      5.645515
  H      -3.316815      1.095196      2.823042
  H      -4.482905      1.555886      4.056707
  H      -3.774266     -0.603102      5.345363
  H      -3.089850     -1.118330      3.786772
  H      -5.461016     -1.850768      4.013830
  H      -5.966255     -0.189958      4.379105
  H      -6.540850      1.989763      0.465571
  H      -5.803952     -1.757745     -2.075404
  H      -4.963452     -4.059878     -1.593570
  H      -4.341827     -4.704671      0.728296
  H      -4.575318     -3.096492      2.586296
  H      -4.598283      5.966107      5.786789
  H      -3.427005      6.547149      6.968691
  H      -2.277596      7.799362      4.989523
  H      -3.846936      8.403116      5.540747
  H      -3.495446      8.116899      2.939041
  H      -3.538960      6.381437      3.252947
  H      -7.984621      8.148231      5.375503
  H      -9.307381      6.329896      1.368037
  H      -8.100311      5.453349     -0.640480
  H      -5.616502      5.563949     -0.753370
  H      -4.314933      6.519864      1.118878
  H      -6.204484      2.195705      7.673598
  H      -6.239927      2.280281      5.900694
  H      -6.343458      4.706823      7.774779
  H      -6.359041      4.784772      6.012100
  H      -8.493398      3.286081      7.641938
  H      -8.600009      4.997891      7.321001
  H      -8.429028      3.531117      2.390961
  H     -12.878033      3.208087      3.360686
  H     -14.231113      3.283203      5.467762
  H     -13.097931      3.586348      7.665104
  H     -10.654788      3.821070      7.797985
  N      -4.522854      3.921698      3.745771
  N      -5.746713      3.695026      3.080234
  H      -6.600492      3.868948      3.694431
  H      -5.817962      2.693241      2.758854
  H      -5.804952      4.282888      2.227044
100
Coordinates from ORCA-job orca E -6259.516712998429
  N      -2.608803      1.755730      4.692775
  Mo     -3.482207      3.409990      5.201276
  N      -4.491928      2.969250      6.804775
  C      -3.717216      2.791568      8.031189
  C      -2.339208      2.213138      7.687322
  N      -1.684999      3.029257      6.623199
  C      -0.619720      2.297438      5.904155
  C      -1.231862      1.373780      4.837755
  C      -1.156887      4.313140      7.141010
  C      -1.320676      5.291525      5.998112
  N      -2.693843      5.178579      5.543861
  H      -0.671043      1.475220      3.887619
  H      -1.158781      0.310397      5.136047
  H       0.025714      3.044964      5.428242
  H       0.004602      1.732315      6.616842
  H      -1.096316      6.323873      6.311632
  H      -0.619611      5.047952      5.181484
  H      -1.771941      4.635835      7.991743
  H      -0.113397      4.209209      7.490278
  H      -4.227015      2.097876      8.723502
  H      -3.599483      3.748867      8.575419
  H      -2.473510      1.200508      7.283335
  H      -1.700724      2.148362      8.587520
  C      -3.534933      1.008563      3.904023
  C      -3.793020     -0.460481      4.239704
  C      -5.221060     -0.831622      3.767873
  C      -5.489164     -0.523758      2.316308
  N      -5.934637      0.699337      2.008158
  C      -6.189949      0.963212      0.697220
  N      -6.074805      0.147956     -0.328552
  C      -5.617716     -1.107992     -0.047510
  C      -5.467831     -2.037098     -1.104876
  C      -4.981971     -3.300688     -0.846140
  C      -4.628765     -3.682323      0.470311
  C      -4.778399     -2.801846      1.521292
  C      -5.284868     -1.497072      1.291485
  C      -3.574797      6.295608      5.874689
  C      -3.350034      7.544572      5.014977
  C      -3.892506      7.337344      3.600659
  C      -5.395851      7.354099      3.509912
  N      -6.091446      7.786448      4.553304
  C      -7.447784      7.781171      4.457887
  N      -8.184940      7.344752      3.457982
  C      -7.496824      6.864938      2.376925
  C      -8.219401      6.327192      1.283489
  C      -7.546478      5.828567      0.185715
  C      -6.132955      5.876417      0.124895
  C      -5.402092      6.408325      1.172013
  C      -6.066581      6.885832      2.332772
  C      -5.941894      2.811664      6.830071
  C      -6.674582      4.162148      6.877675
  C      -8.194634      4.069933      6.939535
  C      -8.944318      3.818610      5.656650
  N      -8.296115      3.748734      4.495797
  C      -9.039454      3.565858      3.364715
  N     -10.341708      3.457911      3.266199
  C     -11.040883      3.523428      4.440683
  C     -12.451361      3.418127      4.403789
  C     -13.175351      3.482115      5.575787
  C     -12.518700      3.649795      6.817955
  C     -11.143893      3.755885      6.879456
  C     -10.370562      3.696061      5.692550
  H      -3.317655      1.099664      2.819040
  H      -4.482890      1.535020      4.060261
  H      -3.742890     -0.628182      5.326607
  H      -3.047845     -1.115487      3.764269
  H      -5.402471     -1.894344      3.972251
  H      -5.942481     -0.250310      4.360825
  H      -6.543586      1.976806      0.478005
  H      -5.739150     -1.719897     -2.112173
  H      -4.864995     -4.015938     -1.661710
  H      -4.237964     -4.683861      0.651533
  H      -4.499581     -3.107742      2.529759
  H      -4.613776      5.965180      5.750958
  H      -3.458506      6.551712      6.946493
  H      -2.274568      7.774393      4.958213
  H      -3.838896      8.399578      5.501635
  H      -3.486646      8.089720      2.902580
  H      -3.544407      6.357646      3.230639
  H      -7.979907      8.181566      5.326650
  H      -9.308424      6.316242      1.343096
  H      -8.104145      5.407173     -0.652053
  H      -5.619780      5.503915     -0.763765
  H      -4.315079      6.476865      1.095910
  H      -6.226067      2.200183      7.708161
  H      -6.268730      2.253547      5.934843
  H      -6.333339      4.710904      7.769790
  H      -6.366743      4.762410      6.007624
  H      -8.499604      3.302101      7.671298
  H      -8.591897      5.013969      7.351019
  H      -8.481166      3.515279      2.424156
  H     -12.930390      3.288685      3.432012
  H     -14.263765      3.402288      5.549589
  H     -13.106498      3.697589      7.735387
  H     -10.658163      3.887088      7.846303
  N      -4.553691      3.903010      3.770472
  N      -5.772106      3.661351      3.100550
  H      -6.631206      3.812618      3.719172
  H      -5.822478      2.665613      2.763772
  H      -5.844442      4.263864      2.259418
100
Coordinates from ORCA-job orca E -6259.517171447181
  N      -2.616850      1.757178      4.689271
  Mo     -3.505036      3.396298      5.222586
  N      -4.509993      2.942826      6.827053
  C      -3.730329      2.767414      8.051025
  C      -2.350595      2.198625      7.698832
  N      -1.709161      3.022209      6.631475
  C      -0.636947      2.300724      5.910036
  C      -1.244088      1.367617      4.851974
  C      -1.182487      4.307170      7.151341
  C      -1.340281      5.283608      6.005441
  N      -2.711342      5.167429      5.545568
  H      -0.672997      1.451701      3.906196
  H      -1.181642      0.307598      5.165273
  H      -0.005074      3.055278      5.426841
  H      -0.000935      1.747566      6.621803
  H      -1.119079      6.316215      6.320203
  H      -0.634814      5.041041      5.192546
  H      -1.802580      4.631739      7.997701
  H      -0.141280      4.201494      7.506904
  H      -4.231741      2.066804      8.742753
  H      -3.617640      3.723575      8.598291
  H      -2.481660      1.186357      7.292618
  H      -1.705152      2.135940      8.593975
  C      -3.539005      1.004021      3.900904
  C      -3.772013     -0.472372      4.220500
  C      -5.190139     -0.866528      3.737665
  C      -5.455451     -0.542154      2.289480
  N      -5.919898      0.677301      1.997419
  C      -6.168882      0.958027      0.688828
  N      -6.030761      0.161733     -0.348796
  C      -5.555104     -1.090731     -0.083870
  C      -5.381394     -2.000057     -1.154748
  C      -4.877082     -3.259515     -0.912716
  C      -4.528155     -3.656377      0.400282
  C      -4.700418     -2.795507      1.463927
  C      -5.226567     -1.495707      1.251282
  C      -3.588484      6.294230      5.851660
  C      -3.346482      7.530553      4.977083
  C      -3.890827      7.312356      3.565054
  C      -5.393982      7.339907      3.472759
  N      -6.087200      7.797594      4.506592
  C      -7.443537      7.800171      4.409790
  N      -8.182355      7.348370      3.418339
  C      -7.496392      6.842681      2.347949
  C      -8.221727      6.288315      1.264765
  C      -7.551398      5.765689      0.176950
  C      -6.137638      5.804769      0.115571
  C      -5.404083      6.351187      1.152969
  C      -6.066502      6.853942      2.304099
  C      -5.960867      2.798634      6.862887
  C      -6.681147      4.155729      6.892863
  C      -8.201551      4.080171      6.969663
  C      -8.966367      3.833559      5.694534
  N      -8.328910      3.735767      4.529508
  C      -9.084379      3.561248      3.404607
  N     -10.389328      3.485065      3.316309
  C     -11.077830      3.577959      4.495290
  C     -12.490593      3.506199      4.469910
  C     -13.204092      3.597384      5.646694
  C     -12.534657      3.760093      6.882718
  C     -11.157351      3.834113      6.933149
  C     -10.394726      3.745605      5.741012
  H      -3.329940      1.109955      2.815759
  H      -4.491223      1.517911      4.069225
  H      -3.720722     -0.651566      5.305665
  H      -3.013575     -1.108245      3.739887
  H      -5.350320     -1.935917      3.923614
  H      -5.927055     -0.310752      4.335934
  H      -6.538162      1.968875      0.483406
  H      -5.650124     -1.670800     -2.158856
  H      -4.742141     -3.959494     -1.738757
  H      -4.122404     -4.653995      0.568967
  H      -4.424522     -3.113877      2.469195
  H      -4.627426      5.968150      5.717310
  H      -3.485211      6.563851      6.921298
  H      -2.268127      7.745302      4.916935
  H      -3.824471      8.397572      5.452961
  H      -3.478420      8.052430      2.857635
  H      -3.551081      6.325334      3.206855
  H      -7.973999      8.221865      5.269358
  H      -9.310866      6.284742      1.324051
  H      -8.111464      5.331831     -0.652684
  H      -5.626164      5.413173     -0.765448
  H      -4.316940      6.412782      1.075192
  H      -6.245515      2.206654      7.753715
  H      -6.296728      2.226162      5.980442
  H      -6.325202      4.715555      7.771865
  H      -6.375266      4.738208      6.010501
  H      -8.507178      3.316830      7.706007
  H      -8.585872      5.028635      7.383022
  H      -8.532751      3.487787      2.461564
  H     -12.980077      3.379774      3.502945
  H     -14.294180      3.543262      5.629078
  H     -13.114327      3.829546      7.804064
  H     -10.661193      3.961608      7.895291
  N      -4.594348      3.887217      3.802677
  N      -5.813776      3.634720      3.134968
  H      -6.671975      3.774141      3.761566
  H      -5.852667      2.642933      2.784918
  H      -5.902656      4.248716      2.304349
100
Coordinates from ORCA-job orca E -6259.517572189132
  N      -2.629437      1.755220      4.689487
  Mo     -3.530573      3.380883      5.245320
  N      -4.531202      2.914144      6.850221
  C      -3.747817      2.744617      8.072978
  C      -2.365721      2.185710      7.714307
  N      -1.737351      3.014400      6.642258
  C      -0.658985      2.301315      5.919111
  C      -1.261810      1.356525      4.871895
  C      -1.212524      4.301591      7.162315
  C      -1.365119      5.275803      6.012982
  N      -2.733869      5.155294      5.545721
  H      -0.679763      1.419637      3.931176
  H      -1.211619      0.301229      5.203487
  H      -0.040963      3.061203      5.426294
  H      -0.011202      1.761797      6.630731
  H      -1.148389      6.308891      6.328947
  H      -0.654208      5.034978      5.204615
  H      -1.837384      4.628613      8.004216
  H      -0.173615      4.194768      7.523677
  H      -4.240914      2.038382      8.765300
  H      -3.641577      3.701004      8.621132
  H      -2.492535      1.172676      7.308373
  H      -1.713678      2.128139      8.604720
  C      -3.549652      0.996906      3.900954
  C      -3.758495     -0.485713      4.203611
  C      -5.166778     -0.899330      3.708775
  C      -5.430626     -0.553719      2.265310
  N      -5.919507      0.660599      1.993560
  C      -6.162987      0.961988      0.688671
  N      -5.995645      0.190856     -0.363322
  C      -5.495749     -1.056359     -0.118938
  C      -5.291306     -1.939117     -1.206375
  C      -4.763753     -3.192768     -0.985120
  C      -4.421324     -3.609639      0.323156
  C      -4.622401     -2.774715      1.402300
  C      -5.172599     -1.481785      1.211006
  C      -3.606969      6.292141      5.823671
  C      -3.343300      7.513893      4.933831
  C      -3.881816      7.282773      3.521622
  C      -5.384166      7.321086      3.421059
  N      -6.077620      7.807842      4.440806
  C      -7.433561      7.820007      4.337609
  N      -8.171769      7.352110      3.353315
  C      -7.485649      6.817190      2.297526
  C      -8.211154      6.245323      1.223628
  C      -7.540846      5.695334      0.149628
  C      -6.126943      5.722991      0.092998
  C      -5.392944      6.284355      1.122076
  C      -6.055585      6.815887      2.259610
  C      -5.982769      2.784428      6.897154
  C      -6.687786      4.149114      6.916100
  C      -8.207875      4.092333      7.010895
  C      -8.988712      3.855401      5.744288
  N      -8.363012      3.736071      4.575174
  C      -9.130695      3.568254      3.457368
  N     -10.437866      3.516699      3.380592
  C     -11.114828      3.631065      4.564099
  C     -12.529308      3.583705      4.551529
  C     -13.231027      3.694708      5.733530
  C     -12.548044      3.854174      6.962429
  C     -11.168828      3.904823      7.000459
  C     -10.418285      3.795330      5.802726
  H      -3.348672      1.117863      2.815903
  H      -4.504654      1.498426      4.081808
  H      -3.706729     -0.677444      5.286674
  H      -2.987416     -1.102704      3.718370
  H      -5.305965     -1.975235      3.873166
  H      -5.918083     -0.371043      4.313875
  H      -6.553530      1.968189      0.500365
  H      -5.556264     -1.594137     -2.206150
  H      -4.605513     -3.872428     -1.823875
  H      -3.997263     -4.602024      0.476187
  H      -4.350939     -3.109307      2.403363
  H      -4.645675      5.971189      5.676397
  H      -3.518400      6.576783      6.890522
  H      -2.262025      7.713533      4.876348
  H      -3.812766      8.393359      5.394515
  H      -3.459797      8.010230      2.806996
  H      -3.548376      6.288873      3.177655
  H      -7.964063      8.265664      5.184703
  H      -9.300463      6.251389      1.278380
  H      -8.101330      5.248546     -0.672829
  H      -5.615222      5.309313     -0.777240
  H      -4.305522      6.335823      1.047062
  H      -6.267693      2.208988      7.798296
  H      -6.329466      2.202278      6.025752
  H      -6.314690      4.715392      7.783071
  H      -6.384643      4.716280      6.023484
  H      -8.513151      3.330809      7.748960
  H      -8.577885      5.043238      7.430735
  H      -8.586585      3.475007      2.511749
  H     -13.029935      3.458818      3.590133
  H     -14.322384      3.658832      5.725629
  H     -13.118556      3.939255      7.888015
  H     -10.661609      4.029171      7.957185
  N      -4.635565      3.867432      3.834284
  N      -5.851636      3.597058      3.165386
  H      -6.711012      3.727255      3.795187
  H      -5.877070      2.607958      2.809480
  H      -5.954063      4.217021      2.340946
100
Coordinates from ORCA-job orca E -6259.517963151481
  N      -2.642381      1.754879      4.687844
  Mo     -3.555429      3.366709      5.267565
  N      -4.550443      2.885775      6.872942
  C      -3.762927      2.718616      8.093595
  C      -2.378350      2.171374      7.727807
  N      -1.763955      3.007398      6.652373
  C      -0.680186      2.303870      5.925517
  C      -1.280080      1.346675      4.890737
  C      -1.241757      4.295859      7.174175
  C      -1.390289      5.269921      6.024389
  N      -2.755778      5.143818      5.548601
  H      -0.687298      1.386598      3.955427
  H      -1.243023      0.297156      5.242597
  H      -0.077711      3.069413      5.422069
  H      -0.019177      1.778614      6.635669
  H      -1.180141      6.302816      6.345065
  H      -0.672960      5.034991      5.220230
  H      -1.871339      4.622759      8.012649
  H      -0.204979      4.188091      7.540712
  H      -4.247921      2.005135      8.784513
  H      -3.662972      3.673645      8.645198
  H      -2.499849      1.158174      7.320517
  H      -1.719644      2.117976      8.613295
  C      -3.560585      0.992595      3.898572
  C      -3.745922     -0.495812      4.182752
  C      -5.144281     -0.926836      3.675351
  C      -5.406769     -0.560817      2.236885
  N      -5.920416      0.647199      1.984438
  C      -6.159231      0.968843      0.683653
  N      -5.962949      0.223425     -0.381297
  C      -5.437736     -1.017133     -0.156636
  C      -5.202029     -1.872479     -1.259191
  C      -4.650328     -3.118979     -1.057901
  C      -4.314080     -3.555516      0.245165
  C      -4.544405     -2.747292      1.338437
  C      -5.119407     -1.462525      1.167557
  C      -3.627254      6.287951      5.799751
  C      -3.348007      7.496459      4.895082
  C      -3.878896      7.253120      3.481904
  C      -5.380232      7.295742      3.369520
  N      -6.079127      7.809062      4.372112
  C      -7.434285      7.824538      4.257989
  N      -8.166632      7.336345      3.279534
  C      -7.474801      6.774835      2.241518
  C      -8.194702      6.181008      1.175844
  C      -7.518650      5.605128      0.119342
  C      -6.104420      5.626990      0.072450
  C      -5.375840      6.207691      1.094295
  C      -6.044725      6.767021      2.214408
  C      -6.002687      2.771614      6.930924
  C      -6.693672      4.143268      6.940450
  C      -8.213062      4.102733      7.053670
  C      -9.010691      3.872970      5.795960
  N      -8.398337      3.728560      4.622508
  C      -9.179399      3.568641      3.512522
  N     -10.487862      3.546910      3.447553
  C     -11.151400      3.687076      4.635921
  C     -12.566475      3.671675      4.636741
  C     -13.254773      3.808242      5.824096
  C     -12.557593      3.962705      7.045507
  C     -11.177433      3.982742      7.070552
  C     -10.440657      3.846347      5.866984
  H      -3.368092      1.130065      2.814136
  H      -4.520685      1.481059      4.093701
  H      -3.694610     -0.700649      5.263501
  H      -2.962382     -1.093689      3.693457
  H      -5.264363     -2.008070      3.819079
  H      -5.908532     -0.424377      4.286204
  H      -6.572068      1.969172      0.512082
  H      -5.463594     -1.512360     -2.254214
  H      -4.468381     -3.777640     -1.908300
  H      -3.871261     -4.541802      0.383121
  H      -4.277309     -3.097568      2.334937
  H      -4.664820      5.967932      5.642231
  H      -3.551722      6.588057      6.863150
  H      -2.264724      7.685873      4.840586
  H      -3.812836      8.385627      5.341700
  H      -3.449766      7.972196      2.762890
  H      -3.546613      6.254955      3.149778
  H      -7.969506      8.292096      5.090063
  H      -9.284365      6.191946      1.222585
  H      -8.075005      5.142035     -0.696768
  H      -5.587800      5.192039     -0.784063
  H      -4.287722      6.252384      1.026455
  H      -6.287606      2.210732      7.841067
  H      -6.360281      2.181917      6.069255
  H      -6.303536      4.715680      7.795710
  H      -6.394838      4.696238      6.037627
  H      -8.516874      3.342945      7.794575
  H      -8.569647      5.056077      7.479241
  H      -8.644368      3.453670      2.564009
  H     -13.078809      3.550008      3.681283
  H     -14.346494      3.796889      5.826263
  H     -13.117738      4.068257      7.975385
  H     -10.658542      4.103286      8.021435
  N      -4.676542      3.849666      3.866702
  N      -5.891880      3.565335      3.201435
  H      -6.749746      3.688078      3.835820
  H      -5.906968      2.578377      2.839405
  H      -6.008685      4.189961      2.383122
100
Coordinates from ORCA-job orca E -6259.518406141756
  N      -2.660741      1.752950      4.687784
  Mo     -3.582075      3.353328      5.290124
  N      -4.570683      2.859010      6.896764
  C      -3.779410      2.695528      8.115293
  C      -2.392921      2.159030      7.742333
  N      -1.792495      3.000154      6.662683
  C      -0.705613      2.303422      5.931052
  C      -1.305361      1.332248      4.911851
  C      -1.272019      4.290571      7.184200
  C      -1.417801      5.265240      6.033626
  N      -2.780585      5.133287      5.549462
  H      -0.702465      1.344116      3.982312
  H      -1.284113      0.290258      5.287322
  H      -0.119168      3.072456      5.414005
  H      -0.030796      1.793238      6.639129
  H      -1.214672      6.297914      6.359439
  H      -0.694040      5.037129      5.233447
  H      -1.905048      4.618089      8.019871
  H      -0.236923      4.182004      7.554591
  H      -4.256382      1.975718      8.805453
  H      -3.685481      3.649689      8.669576
  H      -2.509890      1.145146      7.335181
  H      -1.727304      2.110732      8.622662
  C      -3.580148      0.989138      3.897841
  C      -3.746069     -0.504326      4.163174
  C      -5.135020     -0.947699      3.641468
  C      -5.392841     -0.560009      2.207962
  N      -5.931962      0.640568      1.974525
  C      -6.162136      0.984380      0.677862
  N      -5.931199      0.268283     -0.400040
  C      -5.379375     -0.964223     -0.194949
  C      -5.105316     -1.787865     -1.312684
  C      -4.527905     -3.025770     -1.130885
  C      -4.203689     -3.484718      0.167373
  C      -4.470070     -2.707165      1.274863
  C      -5.071180     -1.432027      1.123910
  C      -3.648595      6.286032      5.770920
  C      -3.348503      7.478704      4.851456
  C      -3.867360      7.218926      3.436789
  C      -5.367409      7.265673      3.310879
  N      -6.071045      7.808763      4.294084
  C      -7.425319      7.826943      4.169643
  N      -8.152771      7.315069      3.199758
  C      -7.456181      6.723592      2.181816
  C      -8.171381      6.103701      1.127922
  C      -7.490452      5.498799      0.090934
  C      -6.076152      5.515799      0.052393
  C      -5.352077      6.119574      1.063876
  C      -6.025878      6.709805      2.164700
  C      -6.023394      2.760924      6.966558
  C      -6.699411      4.139849      6.970027
  C      -8.217767      4.115829      7.101052
  C      -9.031207      3.894354      5.851975
  N      -8.432091      3.727245      4.674843
  C      -9.226180      3.572828      3.573024
  N     -10.535571      3.575496      3.519790
  C     -11.185812      3.738622      4.712373
  C     -12.601238      3.748130      4.726427
  C     -13.276046      3.906617      5.918728
  C     -12.564789      4.059430      7.132231
  C     -11.183957      4.055582      7.144381
  C     -10.461042      3.896075      5.935463
  H      -3.397088      1.142914      2.814160
  H      -4.542616      1.465542      4.107992
  H      -3.696776     -0.722804      5.241397
  H      -2.951554     -1.085087      3.670803
  H      -5.239444     -2.033272      3.764504
  H      -5.910953     -0.468585      4.256361
  H      -6.598376      1.977414      0.522803
  H      -5.359155     -1.410575     -2.303373
  H      -4.316575     -3.660147     -1.992983
  H      -3.741063     -4.463787      0.290568
  H      -4.211567     -3.074982      2.267279
  H      -4.685184      5.969362      5.601902
  H      -3.586615      6.602658      6.830237
  H      -2.263162      7.657249      4.804452
  H      -3.809190      8.378850      5.279651
  H      -3.429795      7.927911      2.712844
  H      -3.535529      6.216014      3.119991
  H      -7.964414      8.319138      4.984693
  H      -9.261256      6.119003      1.167562
  H      -8.043316      5.016191     -0.716157
  H      -5.555490      5.056943     -0.788817
  H      -4.263561      6.157288      1.002573
  H      -6.308271      2.212736      7.884189
  H      -6.393158      2.166609      6.113686
  H      -6.292369      4.715352      7.814854
  H      -6.404860      4.680650      6.058851
  H      -8.520080      3.356804      7.843480
  H      -8.561187      5.070775      7.533165
  H      -8.700724      3.438185      2.621810
  H     -13.125170      3.627026      3.777188
  H     -14.368012      3.914067      5.930951
  H     -13.114527      4.182390      8.066071
  H     -10.653503      4.174377      8.089115
  N      -4.718556      3.831639      3.897952
  N      -5.932360      3.530443      3.234631
  H      -6.788668      3.650115      3.871900
  H      -5.938172      2.543965      2.871394
  H      -6.060218      4.156151      2.418755
100
Coordinates from ORCA-job orca E -6259.518918895274
  N      -2.679314      1.753152      4.687121
  Mo     -3.607098      3.342808      5.311846
  N      -4.589405      2.836449      6.919373
  C      -3.794338      2.671849      8.135237
  C      -2.406203      2.145990      7.755090
  N      -1.818706      2.994005      6.673274
  C      -0.729783      2.304322      5.935786
  C      -1.330976      1.319832      4.932409
  C      -1.300854      4.285515      7.196246
  C      -1.444147      5.262172      6.046994
  N      -2.803426      5.124338      5.553042
  H      -0.718519      1.303750      4.009273
  H      -1.325911      0.286004      5.330974
  H      -0.159426      3.076550      5.405486
  H      -0.041340      1.808319      6.640763
  H      -1.249030      6.294176      6.379666
  H      -0.713440      5.042783      5.250794
  H      -1.937498      4.611644      8.029794
  H      -0.267308      4.176381      7.570224
  H      -4.264809      1.944904      8.822571
  H      -3.705053      3.623528      8.694604
  H      -2.518473      1.132269      7.346060
  H      -1.734522      2.100780      8.630736
  C      -3.599804      0.988235      3.896399
  C      -3.747633     -0.509543      4.142622
  C      -5.127473     -0.963586      3.606900
  C      -5.382778     -0.553374      2.179401
  N      -5.947466      0.638969      1.965796
  C      -6.171959      1.005590      0.674347
  N      -5.909113      0.320267     -0.415830
  C      -5.330306     -0.903171     -0.231065
  C      -5.020717     -1.693540     -1.363116
  C      -4.417269     -2.921772     -1.201680
  C      -4.101930     -3.403896      0.090119
  C      -4.401832     -2.658659      1.211022
  C      -5.029216     -1.394141      1.080787
  C      -3.669828      6.283421      5.745153
  C      -3.353314      7.460590      4.810513
  C      -3.857617      7.183086      3.393835
  C      -5.356194      7.227040      3.251244
  N      -6.069483      7.795629      4.212715
  C      -7.422567      7.809530      4.074742
  N      -8.140170      7.270710      3.112501
  C      -7.433530      6.653931      2.116666
  C      -8.138404      6.005036      1.073308
  C      -7.447211      5.375531      0.057826
  C      -6.032708      5.395030      0.030869
  C      -5.318772      6.025269      1.033043
  C      -6.003151      6.641950      2.112660
  C      -6.042553      2.755206      7.000456
  C      -6.705028      4.140488      7.000398
  C      -8.221945      4.129426      7.148497
  C      -9.050381      3.914095      5.908036
  N      -8.464747      3.724740      4.727529
  C      -9.271512      3.574614      3.634023
  N     -10.581079      3.600951      3.592148
  C     -11.217566      3.787151      4.788723
  C     -12.632407      3.821988      4.815648
  C     -13.293359      4.003024      6.012496
  C     -12.568546      4.154157      7.218117
  C     -11.187927      4.126127      7.217680
  C     -10.479257      3.943138      6.003757
  H      -3.425616      1.158077      2.813873
  H      -4.565835      1.453069      4.121494
  H      -3.700798     -0.741814      5.218138
  H      -2.942708     -1.073428      3.647370
  H      -5.216611     -2.052852      3.709037
  H      -5.913642     -0.507620      4.226210
  H      -6.631683      1.990511      0.536363
  H      -5.269280     -1.298826     -2.348135
  H      -4.178671     -3.530595     -2.074835
  H      -3.619287     -4.375045      0.197712
  H      -4.149731     -3.044384      2.198065
  H      -4.704760      5.966881      5.566183
  H      -3.620799      6.616802      6.799782
  H      -2.266581      7.632665      4.771878
  H      -3.813545      8.369540      5.220063
  H      -3.413495      7.884454      2.666392
  H      -3.521416      6.177276      3.092243
  H      -7.969825      8.322911      4.871006
  H      -9.228638      6.019007      1.103346
  H      -7.992204      4.871077     -0.741144
  H      -5.503672      4.915607     -0.793382
  H      -4.229776      6.061633      0.981112
  H      -6.326658      2.217083      7.924164
  H      -6.424415      2.158566      6.154878
  H      -6.282642      4.718200      7.836019
  H      -6.415505      4.671378      6.081960
  H      -8.521695      3.370567      7.892508
  H      -8.553995      5.085445      7.586701
  H      -8.755999      3.420652      2.680284
  H     -13.167508      3.701599      3.872661
  H     -14.384836      4.029839      6.034461
  H     -13.107610      4.295012      8.155617
  H     -10.646309      4.243529      8.156191
  N      -4.758204      3.818404      3.929218
  N      -5.973622      3.507872      3.272913
  H      -6.826610      3.623315      3.914878
  H      -5.973288      2.523184      2.904869
  H      -6.113246      4.136361      2.461321
100
Coordinates from ORCA-job orca E -6259.519458302198
  N      -2.702140      1.753807      4.688003
  Mo     -3.633498      3.334072      5.334997
  N      -4.608770      2.816735      6.944053
  C      -3.809797      2.651406      8.157119
  C      -2.420669      2.134772      7.769395
  N      -1.845598      2.987908      6.684722
  C      -0.756899      2.303108      5.940155
  C      -1.362113      1.305768      4.954052
  C      -1.329102      4.280949      7.207461
  C      -1.471123      5.260034      6.059279
  N      -2.827611      5.116661      5.556567
  H      -0.741350      1.259908      4.037632
  H      -1.374626      0.281160      5.376152
  H      -0.202611      3.076885      5.395083
  H      -0.054640      1.820655      6.640819
  H      -1.283636      6.291374      6.398477
  H      -0.734149      5.049215      5.266545
  H      -1.967909      4.606427      8.039668
  H      -0.296474      4.171377      7.583428
  H      -4.273922      1.918096      8.842220
  H      -3.724462      3.600923      8.720999
  H      -2.529322      1.120905      7.359505
  H      -1.742947      2.092785      8.640322
  C      -3.625697      0.989233      3.896964
  C      -3.758026     -0.512557      4.123634
  C      -5.128875     -0.973885      3.571754
  C      -5.378675     -0.538724      2.150850
  N      -5.967264      0.645343      1.957583
  C      -6.182903      1.037773      0.672077
  N      -5.886381      0.386443     -0.430102
  C      -5.282142     -0.827811     -0.266138
  C      -4.934857     -1.581439     -1.412087
  C      -4.306864     -2.799968     -1.271246
  C      -4.004230     -3.308736      0.013319
  C      -4.339786     -2.599149      1.147252
  C      -4.991821     -1.345256      1.037962
  C      -3.690387      6.283537      5.715875
  C      -3.354062      7.441353      4.763867
  C      -3.840589      7.140282      3.345716
  C      -5.337309      7.182060      3.183946
  N      -6.060317      7.779230      4.120456
  C      -7.411925      7.789829      3.967595
  N      -8.119680      7.222569      3.014372
  C      -7.402950      6.577530      2.043869
  C      -8.097517      5.897610      1.013189
  C      -7.396140      5.239978      0.022657
  C      -5.981560      5.260128      0.008669
  C      -5.277800      5.918910      0.999561
  C      -5.972529      6.565817      2.054599
  C      -6.062000      2.751145      7.037078
  C      -6.711598      4.142384      7.036066
  C      -8.226975      4.143307      7.200408
  C      -9.069473      3.934137      5.968170
  N      -8.496932      3.725855      4.784549
  C      -9.315858      3.578422      3.699423
  N     -10.625479      3.623402      3.668708
  C     -11.248628      3.829226      4.868942
  C     -12.662874      3.883738      4.908487
  C     -13.310345      4.083676      6.109611
  C     -12.572347      4.235015      7.307240
  C     -11.192005      4.188201      7.294464
  C     -10.497187      3.985579      6.075839
  H      -3.460915      1.174645      2.815778
  H      -4.593180      1.443314      4.137252
  H      -3.715223     -0.759047      5.196214
  H      -2.943425     -1.060730      3.626364
  H      -5.205025     -2.066156      3.651738
  H      -5.924878     -0.540099      4.194298
  H      -6.664704      2.014311      0.551459
  H      -5.175221     -1.166793     -2.390971
  H      -4.039260     -3.380511     -2.155168
  H      -3.502828     -4.271979      0.105055
  H      -4.097070     -3.005248      2.128498
  H      -4.723942      5.968849      5.527099
  H      -3.654084      6.635951      6.764623
  H      -2.265979      7.606685      4.736346
  H      -3.814024      8.360485      5.149842
  H      -3.388016      7.830864      2.613189
  H      -3.500267      6.130512      3.064201
  H      -7.967312      8.326773      4.742390
  H      -9.188012      5.911692      1.032406
  H      -7.933315      4.712213     -0.766573
  H      -5.444262      4.756854     -0.795647
  H      -4.188577      5.951984      0.958679
  H      -6.344667      2.221328      7.965869
  H      -6.456255      2.153820      6.198046
  H      -6.274400      4.720587      7.863493
  H      -6.427468      4.665236      6.111623
  H      -8.523893      3.383946      7.945324
  H      -8.548423      5.099931      7.644676
  H      -8.810228      3.408031      2.743244
  H     -13.208813      3.762704      3.971801
  H     -14.401330      4.125443      6.141155
  H     -13.101054      4.390779      8.248191
  H     -10.639505      4.305438      8.226672
  N      -4.798317      3.807454      3.961099
  N      -6.016048      3.485786      3.312298
  H      -6.864918      3.599027      3.959215
  H      -6.010796      2.502025      2.941720
  H      -6.166053      4.115485      2.503728
100
Coordinates from ORCA-job orca E -6259.520008502251
  N      -2.724838      1.756158      4.687863
  Mo     -3.660540      3.325957      5.357462
  N      -4.628078      2.796019      6.967761
  C      -3.825130      2.631459      8.178246
  C      -2.434566      2.125035      7.783596
  N      -1.872177      2.983091      6.695885
  C      -0.784313      2.303712      5.943433
  C      -1.393683      1.293864      4.975097
  C      -1.357504      4.277613      7.218084
  C      -1.500236      5.259673      6.072512
  N      -2.853833      5.109719      5.562014
  H      -0.765105      1.218244      4.066152
  H      -1.423393      0.279391      5.420662
  H      -0.247232      3.079019      5.383241
  H      -0.067544      1.834985      6.638709
  H      -1.321584      6.290014      6.419508
  H      -0.757259      5.059437      5.282577
  H      -1.997861      4.601292      8.049875
  H      -0.325271      4.168362      7.594725
  H      -4.282403      1.891958      8.861604
  H      -3.744677      3.579218      8.745957
  H      -2.538560      1.110797      7.373314
  H      -1.751225      2.087232      8.650113
  C      -3.650811      0.991760      3.896624
  C      -3.766344     -0.513709      4.103147
  C      -5.128411     -0.982185      3.535862
  C      -5.375565     -0.520897      2.123009
  N      -5.989268      0.653670      1.951638
  C      -6.198687      1.073253      0.673658
  N      -5.870201      0.458333     -0.440064
  C      -5.239801     -0.745628     -0.298404
  C      -4.857084     -1.460226     -1.457668
  C      -4.204457     -2.668283     -1.338791
  C      -3.912099     -3.205211     -0.063540
  C      -4.280919     -2.533406      1.082872
  C      -4.957523     -1.290912      0.995909
  C      -3.713459      6.283219      5.688895
  C      -3.358958      7.420972      4.719236
  C      -3.825151      7.093850      3.300011
  C      -5.319535      7.130509      3.116357
  N      -6.054974      7.755453      4.024609
  C      -7.404466      7.761524      3.852867
  N      -8.099413      7.165817      2.907365
  C      -7.369699      6.493398      1.965492
  C      -8.050606      5.782764      0.946077
  C      -7.336006      5.096832     -0.015492
  C      -5.921545      5.117451     -0.011173
  C      -5.231224      5.804723      0.969719
  C      -5.939476      6.482406      1.995907
  C      -6.081028      2.745716      7.072746
  C      -6.717529      4.142985      7.072719
  C      -8.231018      4.155935      7.253651
  C      -9.087163      3.953471      6.029424
  N      -8.527617      3.727545      4.842845
  C      -9.358060      3.583914      3.765784
  N     -10.667202      3.647597      3.745708
  C     -11.277040      3.872211      4.949386
  C     -12.690037      3.947326      5.000875
  C     -13.324056      4.165850      6.205965
  C     -12.573552      4.316035      7.395937
  C     -11.194130      4.249477      7.371495
  C     -10.513123      4.027616      6.148483
  H      -3.495796      1.193334      2.817167
  H      -4.621377      1.434071      4.152284
  H      -3.727099     -0.774515      5.172446
  H      -2.942085     -1.045401      3.603798
  H      -5.190923     -2.076921      3.592802
  H      -5.933270     -0.571670      4.162560
  H      -6.703119      2.040391      0.571520
  H      -5.091241     -1.024763     -2.428888
  H      -3.909723     -3.218841     -2.233030
  H      -3.392065     -4.160072      0.011126
  H      -4.046006     -2.960923      2.056807
  H      -4.745485      5.969226      5.491585
  H      -3.688808      6.655059      6.731081
  H      -2.270005      7.582404      4.704148
  H      -3.821171      8.349062      5.079867
  H      -3.364173      7.773946      2.562896
  H      -3.478678      6.080831      3.040199
  H      -7.970235      8.321255      4.603665
  H      -9.141252      5.797164      0.950323
  H      -7.862753      4.545678     -0.795875
  H      -5.373610      4.589799     -0.792210
  H      -4.141736      5.833851      0.944646
  H      -6.362105      2.222664      8.005791
  H      -6.487627      2.149185      6.239298
  H      -6.265143      4.720562      7.892396
  H      -6.439359      4.659034      6.142731
  H      -8.525310      3.395852      7.999302
  H      -8.541499      5.113063      7.704200
  H      -8.862241      3.398170      2.807326
  H     -13.246284      3.826849      4.070255
  H     -14.414014      4.223457      6.246536
  H     -13.091952      4.486544      8.340067
  H     -10.631239      4.365671      8.297601
  N      -4.838764      3.796331      3.992859
  N      -6.057927      3.460174      3.352060
  H      -6.902584      3.573106      4.003357
  H      -6.047872      2.475820      2.982295
  H      -6.218262      4.087861      2.544537
100
Coordinates from ORCA-job orca E -6259.520537684546
  N      -2.746852      1.760802      4.688714
  Mo     -3.686211      3.319856      5.381165
  N      -4.645955      2.777488      6.992400
  C      -3.839195      2.612424      8.200198
  C      -2.447137      2.116379      7.798964
  N      -1.896798      2.979647      6.709071
  C      -0.810458      2.305465      5.948313
  C      -1.424666      1.284544      4.996427
  C      -1.384966      4.275904      7.230878
  C      -1.529504      5.261377      6.087901
  N      -2.880157      5.104594      5.569253
  H      -0.789188      1.181189      4.095263
  H      -1.471037      0.280171      5.463350
  H      -0.290044      3.082034      5.374036
  H      -0.079878      1.849200      6.637454
  H      -1.360335      6.290727      6.442599
  H      -0.780508      5.072236      5.300797
  H      -2.026771      4.597005      8.062625
  H      -0.352883      4.167914      7.607800
  H      -4.290028      1.866600      8.881091
  H      -3.763414      3.557944      8.772335
  H      -2.546184      1.102016      7.387749
  H      -1.758825      2.082245      8.661508
  C      -3.675770      0.996555      3.897333
  C      -3.775334     -0.512172      4.083604
  C      -5.129243     -0.987219      3.502355
  C      -5.376591     -0.499576      2.098623
  N      -6.014578      0.665072      1.949644
  C      -6.219782      1.112239      0.680301
  N      -5.862152      0.534914     -0.444263
  C      -5.206597     -0.658327     -0.325516
  C      -4.791265     -1.332618     -1.497329
  C      -4.114802     -2.529720     -1.401019
  C      -3.830666     -3.095644     -0.136516
  C      -4.230077     -2.462832      1.021672
  C      -4.930409     -1.232176      0.957677
  C      -3.736365      6.284067      5.661247
  C      -3.363053      7.398628      4.672178
  C      -3.806566      7.040088      3.253431
  C      -5.298035      7.071709      3.045920
  N      -6.045893      7.723629      3.924578
  C      -7.392724      7.726188      3.732587
  N      -8.074520      7.104613      2.793972
  C      -7.331891      6.406285      1.881471
  C      -7.998950      5.668747      0.871638
  C      -7.271296      4.956358     -0.060660
  C      -5.857245      4.974881     -0.035462
  C      -5.180600      5.686515      0.937578
  C      -5.902241      6.393636      1.934070
  C      -6.098479      2.740665      7.108288
  C      -6.723484      4.143124      7.110963
  C      -8.235121      4.166129      7.306085
  C      -9.103250      3.972338      6.088844
  N      -8.555728      3.735021      4.898934
  C      -9.396779      3.597124      3.829366
  N     -10.705388      3.675613      3.819656
  C     -11.302902      3.912413      5.027087
  C     -12.714704      4.003618      5.090166
  C     -13.336251      4.234292      6.299421
  C     -12.574158      4.381131      7.482277
  C     -11.195655      4.299008      7.446513
  C     -10.527428      4.064581      6.218923
  H      -3.530892      1.214011      2.819768
  H      -4.648141      1.426597      4.167957
  H      -3.738902     -0.787328      5.149331
  H      -2.942292     -1.027566      3.581681
  H      -5.177483     -2.083763      3.536075
  H      -5.941801     -0.600544      4.134098
  H      -6.745854      2.069499      0.596941
  H      -5.020596     -0.875769     -2.459855
  H      -3.795028     -3.049309     -2.304995
  H      -3.292563     -4.041744     -0.079566
  H      -4.001290     -2.912157      1.987215
  H      -4.766735      5.970300      5.455883
  H      -3.723046      6.677298      6.695542
  H      -2.273608      7.557492      4.671045
  H      -3.828514      8.335660      5.003449
  H      -3.335691      7.706642      2.510405
  H      -3.454352      6.023283      3.020030
  H      -7.968665      8.307576      4.458810
  H      -9.089466      5.685150      0.859080
  H      -7.787392      4.384906     -0.833737
  H      -5.298924      4.424074     -0.792833
  H      -4.091049      5.710398      0.930237
  H      -6.377700      2.222257      8.044400
  H      -6.516160      2.146008      6.279163
  H      -6.258225      4.718688      7.924778
  H      -6.450439      4.654753      6.177124
  H      -8.527111      3.403775      8.050466
  H      -8.535984      5.122530      7.764213
  H      -8.910098      3.401490      2.868165
  H     -13.280465      3.885511      4.165144
  H     -14.425242      4.304295      6.348786
  H     -13.083002      4.561301      8.429746
  H     -10.623191      4.412324      8.366972
  N      -4.877554      3.787724      4.025818
  N      -6.098918      3.438877      3.394925
  H      -6.938526      3.551105      4.051476
  H      -6.085252      2.454185      3.025376
  H      -6.269921      4.064521      2.588417
100
Coordinates from ORCA-job orca E -6259.521020169903
  N      -2.766923      1.767599      4.688133
  Mo     -3.709980      3.315703      5.403247
  N      -4.661414      2.760512      7.015052
  C      -3.850856      2.594492      8.220150
  C      -2.456923      2.109479      7.812347
  N      -1.918371      2.977976      6.720541
  C      -0.834296      2.309059      5.950934
  C      -1.453597      1.278363      5.014778
  C      -1.409668      4.275868      7.241967
  C      -1.557487      5.265104      6.102727
  N      -2.905274      5.101315      5.577023
  H      -0.812361      1.149518      4.121253
  H      -1.515414      0.284114      5.501394
  H      -0.330240      3.086770      5.363423
  H      -0.090332      1.864264      6.633263
  H      -1.398065      6.293252      6.465482
  H      -0.803178      5.087841      5.317756
  H      -2.052288      4.593476      8.074536
  H      -0.377227      4.169528      7.618007
  H      -4.295106      1.841920      8.898050
  H      -3.780247      3.537381      8.797221
  H      -2.550278      1.094990      7.400146
  H      -1.764013      2.079313      8.671156
  C      -3.698705      1.002443      3.897939
  C      -3.780119     -0.508889      4.066194
  C      -5.126945     -0.993444      3.476802
  C      -5.383224     -0.481562      2.083696
  N      -6.050039      0.669677      1.958809
  C      -6.260158      1.141741      0.699493
  N      -5.877493      0.603351     -0.435739
  C      -5.191961     -0.575395     -0.341609
  C      -4.748260     -1.207941     -1.525846
  C      -4.044351     -2.391030     -1.453840
  C      -3.760458     -2.984282     -0.202029
  C      -4.185913     -2.391589      0.967811
  C      -4.913249     -1.175687      0.928590
  C      -3.758590      6.285183      5.637188
  C      -3.368738      7.377706      4.630344
  C      -3.788285      6.989288      3.212283
  C      -5.276363      7.012316      2.979859
  N      -6.039034      7.684845      3.829818
  C      -7.382563      7.681277      3.615486
  N      -8.048251      7.037837      2.679897
  C      -7.290060      6.320751      1.795099
  C      -7.939899      5.562569      0.788882
  C      -7.196352      4.831569     -0.116394
  C      -5.783200      4.849079     -0.065712
  C      -5.123625      5.578724      0.905635
  C      -5.861569      6.308143      1.873608
  C      -6.113266      2.734376      7.140416
  C      -6.728904      4.140976      7.148295
  C      -8.238818      4.171750      7.355423
  C      -9.116541      3.988922      6.143418
  N      -8.578706      3.746585      4.950179
  C      -9.427820      3.617231      3.886180
  N     -10.735713      3.707462      3.885033
  C     -11.323339      3.949921      5.096087
  C     -12.733829      4.054037      5.168652
  C     -13.345321      4.291051      6.381695
  C     -12.574199      4.431745      7.559143
  C     -11.196829      4.336836      7.514169
  C     -10.538930      4.095742      6.282473
  H      -3.564799      1.234744      2.822223
  H      -4.674079      1.419947      4.183363
  H      -3.742763     -0.796602      5.128400
  H      -2.939301     -1.007538      3.560312
  H      -5.157873     -2.091197      3.488173
  H      -5.944819     -0.632543      4.116654
  H      -6.812593      2.085310      0.636146
  H      -4.979179     -0.731259     -2.478227
  H      -3.702990     -2.878703     -2.367418
  H      -3.201747     -3.919428     -0.164280
  H      -3.957232     -2.861477      1.923472
  H      -4.787209      5.970804      5.425068
  H      -3.754855      6.698464      6.663491
  H      -2.279367      7.536758      4.643597
  H      -3.839527      8.321441      4.933108
  H      -3.308521      7.644892      2.465346
  H      -3.428180      5.970386      3.003561
  H      -7.970705      8.278623      4.318700
  H      -9.029945      5.579816      0.756417
  H      -7.699021      4.245122     -0.887388
  H      -5.212441      4.280819     -0.800706
  H      -4.034334      5.598790      0.919498
  H      -6.390455      2.217832      8.078087
  H      -6.539982      2.142713      6.313816
  H      -6.252879      4.713056      7.958310
  H      -6.460474      4.651081      6.212462
  H      -8.528847      3.405133      8.096268
  H      -8.531704      5.125927      7.822986
  H      -8.948189      3.417131      2.922312
  H     -13.307090      3.940705      4.247919
  H     -14.433214      4.371165      6.438236
  H     -13.075369      4.617192      8.509594
  H     -10.616822      4.445160      8.430305
  N      -4.914577      3.781139      4.058092
  N      -6.138056      3.418925      3.438798
  H      -6.972559      3.529994      4.100924
  H      -6.121433      2.433676      3.070546
  H      -6.320755      4.041559      2.632878
100
Coordinates from ORCA-job orca E -6259.521493231432
  N      -2.786499      1.777450      4.683776
  Mo     -3.732161      3.314255      5.421845
  N      -4.675339      2.746312      7.034763
  C      -3.860898      2.578361      8.236603
  C      -2.465466      2.104688      7.822601
  N      -1.938479      2.978373      6.729478
  C      -0.857421      2.314485      5.950038
  C      -1.482373      1.275136      5.028904
  C      -1.432515      4.277303      7.250280
  C      -1.584112      5.271121      6.115383
  N      -2.929093      5.100992      5.583198
  H      -0.836441      1.120935      4.143076
  H      -1.559674      0.291728      5.535068
  H      -0.369787      3.093281      5.349809
  H      -0.100131      1.880283      6.624581
  H      -1.434561      6.297463      6.487610
  H      -0.824655      5.107052      5.332289
  H      -2.075399      4.591086      8.084218
  H      -0.399470      4.172513      7.624898
  H      -4.298671      1.818755      8.910979
  H      -3.795202      3.518161      8.819283
  H      -2.552961      1.090163      7.409340
  H      -1.768266      2.078386      8.677890
  C      -3.722270      1.011995      3.895938
  C      -3.785610     -0.501657      4.048373
  C      -5.125916     -0.997476      3.454135
  C      -5.393262     -0.466235      2.070951
  N      -6.087872      0.670685      1.967648
  C      -6.305492      1.163630      0.717927
  N      -5.900552      0.661919     -0.426120
  C      -5.185739     -0.501304     -0.354029
  C      -4.716652     -1.094624     -1.548527
  C      -3.986582     -2.263323     -1.498109
  C      -3.701235     -2.880871     -0.258544
  C      -4.149573     -2.325500      0.920990
  C      -4.902578     -1.124605      0.903858
  C      -3.778387      6.289047      5.614540
  C      -3.372334      7.361595      4.593376
  C      -3.767231      6.945468      3.176349
  C      -5.251702      6.955005      2.920733
  N      -6.030819      7.641592      3.744577
  C      -7.370604      7.627608      3.508709
  N      -8.018297      6.964287      2.574093
  C      -7.242692      6.235110      1.714380
  C      -7.872781      5.461621      0.706768
  C      -7.111221      4.720249     -0.175231
  C      -5.699575      4.738706     -0.096806
  C      -5.059588      5.481751      0.877389
  C      -5.815753      6.226811      1.818945
  C      -6.126316      2.728763      7.169370
  C      -6.735471      4.138190      7.184462
  C      -8.243961      4.173250      7.403310
  C      -9.130626      4.000943      6.195997
  N      -8.601587      3.755203      4.999544
  C      -9.457410      3.635421      3.940017
  N     -10.764438      3.736027      3.946384
  C     -11.343399      3.981684      5.160949
  C     -12.752586      4.097047      5.241724
  C     -13.355318      4.338511      6.458240
  C     -12.576460      4.472724      7.631168
  C     -11.200212      4.366503      7.578289
  C     -10.551296      4.120592      6.342876
  H      -3.600949      1.258474      2.822082
  H      -4.700381      1.416674      4.196091
  H      -3.745533     -0.799760      5.107411
  H      -2.937819     -0.984238      3.538571
  H      -5.139629     -2.095694      3.446607
  H      -5.947852     -0.660388      4.101698
  H      -6.883789      2.092222      0.672480
  H      -4.950553     -0.600610     -2.491335
  H      -3.626081     -2.721169     -2.419634
  H      -3.123091     -3.804900     -0.238040
  H      -3.919773     -2.813610      1.867241
  H      -4.805475      5.975072      5.396273
  H      -3.782435      6.720306      6.633311
  H      -2.283622      7.522848      4.621845
  H      -3.849580      8.310359      4.868981
  H      -3.281434      7.594002      2.427025
  H      -3.396247      5.926538      2.988979
  H      -7.972467      8.235342      4.191341
  H      -8.961998      5.477440      0.653437
  H      -7.598330      4.122993     -0.948290
  H      -5.115104      4.158691     -0.811806
  H      -3.970916      5.500593      0.913723
  H      -6.401128      2.212103      8.107609
  H      -6.560974      2.140607      6.344442
  H      -6.249918      4.706463      7.991549
  H      -6.472925      4.649029      6.247437
  H      -8.530861      3.401317      8.140040
  H      -8.530714      5.124320      7.880729
  H      -8.983668      3.433741      2.973469
  H     -13.332296      3.988918      4.324572
  H     -14.442153      4.427531      6.520965
  H     -13.070996      4.662061      8.584280
  H     -10.613724      4.469540      8.490782
  N      -4.949682      3.777205      4.086917
  N      -6.176775      3.404317      3.479803
  H      -7.005366      3.516236      4.148146
  H      -6.159051      2.418036      3.113688
  H      -6.370785      4.023475      2.674084
100
Coordinates from ORCA-job orca E -6259.521934888956
  N      -2.805719      1.788052      4.678739
  Mo     -3.752512      3.314631      5.438847
  N      -4.687707      2.735358      7.052560
  C      -3.869706      2.564828      8.251324
  C      -2.472956      2.101018      7.831532
  N      -1.956436      2.979060      6.737069
  C      -0.879231      2.319002      5.948067
  C      -1.510662      1.272810      5.040441
  C      -1.452753      4.279060      7.257083
  C      -1.608335      5.277295      6.126591
  N      -2.950850      5.101713      5.588409
  H      -0.861124      1.095652      4.161908
  H      -1.602897      0.299753      5.563794
  H      -0.406150      3.098400      5.336652
  H      -0.110202      1.893460      6.614892
  H      -1.467829      6.301847      6.507456
  H      -0.844464      5.125447      5.345088
  H      -2.095355      4.589227      8.092728
  H      -0.418853      4.175771      7.629701
  H      -4.301877      1.798795      8.922195
  H      -3.808216      3.501614      8.839381
  H      -2.555077      1.086273      7.417748
  H      -1.771984      2.078488      8.683693
  C      -3.746405      1.021560      3.894848
  C      -3.791405     -0.493736      4.033545
  C      -5.126040     -1.002285      3.438251
  C      -5.409516     -0.452809      2.065885
  N      -6.134163      0.667108      1.985419
  C      -6.364423      1.179476      0.746025
  N      -5.939936      0.716162     -0.406913
  C      -5.193179     -0.428363     -0.358012
  C      -4.701099     -0.980282     -1.562859
  C      -3.942062     -2.131390     -1.535433
  C      -3.649982     -2.772284     -0.309456
  C      -4.118925     -2.256352      0.879868
  C      -4.900383     -1.073608      0.886329
  C      -3.796514      6.292741      5.593703
  C      -3.376536      7.346795      4.559393
  C      -3.745846      6.905183      3.143239
  C      -5.226171      6.896024      2.864294
  N      -6.024067      7.591266      3.662771
  C      -7.359389      7.563710      3.403960
  N      -7.985934      6.883157      2.467090
  C      -7.190249      6.147873      1.630984
  C      -7.796891      5.362706      0.617593
  C      -7.014635      4.617059     -0.242644
  C      -5.605308      4.638738     -0.133311
  C      -4.988453      5.391987      0.847768
  C      -5.765653      6.146621      1.764164
  C      -6.137831      2.724680      7.195383
  C      -6.741923      4.136250      7.219067
  C      -8.248926      4.173543      7.448564
  C      -9.143154      4.012566      6.245263
  N      -8.621480      3.767779      5.045504
  C      -9.482807      3.657952      3.989631
  N     -10.789169      3.765656      4.002875
  C     -11.360866      4.009932      5.221073
  C     -12.768981      4.132733      5.309341
  C     -13.364368      4.374148      6.529368
  C     -12.578994      4.500979      7.698559
  C     -11.203701      4.387085      7.638483
  C     -10.562317      4.141062      6.399331
  H      -3.638228      1.280302      2.822575
  H      -4.726548      1.414340      4.209263
  H      -3.745974     -0.800889      5.089614
  H      -2.937863     -0.960457      3.518596
  H      -5.120975     -2.100422      3.412290
  H      -5.950187     -0.690094      4.095270
  H      -6.971070      2.090246      0.719146
  H      -4.942017     -0.469831     -2.495071
  H      -3.564142     -2.557673     -2.464983
  H      -3.050140     -3.682703     -0.307373
  H      -3.883861     -2.761952      1.815584
  H      -4.822151      5.978349      5.370431
  H      -3.807013      6.740444      6.605160
  H      -2.288957      7.512483      4.602818
  H      -3.861627      8.298621      4.809526
  H      -3.256103      7.549910      2.393174
  H      -3.360652      5.888442      2.974709
  H      -7.977144      8.176971      4.067302
  H      -8.884705      5.375191      0.540984
  H      -7.483255      4.011911     -1.021204
  H      -5.005104      4.051711     -0.829385
  H      -3.900995      5.412306      0.908466
  H      -6.410072      2.206227      8.133381
  H      -6.579202      2.140591      6.371132
  H      -6.248465      4.700156      8.024472
  H      -6.485069      4.649557      6.281801
  H      -8.532523      3.395141      8.179847
  H      -8.530690      5.120546      7.936747
  H      -9.013703      3.458775      3.020228
  H     -13.354139      4.030541      4.395151
  H     -14.450315      4.469148      6.597745
  H     -13.067986      4.690640      8.654376
  H     -10.611728      4.484132      8.547956
  N      -4.982528      3.776109      4.114307
  N      -6.213245      3.393011      3.520665
  H      -7.036209      3.504543      4.195514
  H      -6.194769      2.406246      3.156599
  H      -6.419110      4.009158      2.715406
100
Coordinates from ORCA-job orca E -6259.522366915164
  N      -2.823094      1.802442      4.670383
  Mo     -3.771073      3.317770      5.453188
  N      -4.698328      2.726089      7.067495
  C      -3.877076      2.553208      8.263185
  C      -2.479095      2.099724      7.838231
  N      -1.972649      2.981954      6.742949
  C      -0.899627      2.326006      5.943866
  C      -1.537305      1.274470      5.048086
  C      -1.471405      4.282620      7.262495
  C      -1.631587      5.286233      6.137363
  N      -2.971600      5.105495      5.593723
  H      -0.884616      1.075633      4.176887
  H      -1.644133      0.311723      5.587290
  H      -0.440662      3.106433      5.322642
  H      -0.119392      1.907982      6.602499
  H      -1.500383      6.308405      6.528118
  H      -0.863557      5.147841      5.357199
  H      -2.113455      4.588414      8.100309
  H      -0.436573      4.180893      7.632777
  H      -4.303600      1.780645      8.930300
  H      -3.820222      3.486796      8.856839
  H      -2.555476      1.084761      7.424083
  H      -1.774765      2.081186      8.687586
  C      -3.768950      1.034900      3.891218
  C      -3.794638     -0.481723      4.017872
  C      -5.124443     -1.004958      3.425707
  C      -5.428159     -0.441553      2.063946
  N      -6.182498      0.660038      2.005703
  C      -6.430847      1.187452      0.776524
  N      -5.992532      0.759798     -0.384682
  C      -5.213868     -0.364392     -0.358254
  C      -4.704553     -0.877534     -1.572767
  C      -3.916918     -2.009939     -1.567602
  C      -3.612872     -2.670465     -0.355264
  C      -4.096682     -2.191186      0.843272
  C      -4.905821     -1.027406      0.872650
  C      -3.813937      6.298711      5.576131
  C      -3.381875      7.337437      4.531922
  C      -3.724211      6.873306      3.116419
  C      -5.199878      6.838856      2.815437
  N      -6.019422      7.535721      3.590825
  C      -7.349515      7.489414      3.309341
  N      -7.951582      6.793613      2.367426
  C      -7.132783      6.059524      1.552286
  C      -7.711964      5.266102      0.528943
  C      -6.905830      4.523489     -0.311901
  C      -5.499803      4.551913     -0.169099
  C      -4.909963      5.312386      0.822622
  C      -5.711213      6.070006      1.715293
  C      -6.147418      2.720362      7.218134
  C      -6.748263      4.133067      7.252430
  C      -8.254096      4.170242      7.491438
  C      -9.154597      4.020703      6.291144
  N      -8.638838      3.778098      5.088432
  C      -9.504023      3.678881      4.034823
  N     -10.809619      3.792814      4.053397
  C     -11.375665      4.034286      5.274789
  C     -12.782711      4.163713      5.368702
  C     -13.372464      4.403793      6.591699
  C     -12.582321      4.522672      7.758384
  C     -11.207972      4.401880      7.692936
  C     -10.572364      4.157016      6.450672
  H      -3.675311      1.305585      2.820661
  H      -4.751494      1.414894      4.219848
  H      -3.741236     -0.796023      5.071260
  H      -2.936339     -0.932733      3.496949
  H      -5.100629     -2.102503      3.384126
  H      -5.948778     -0.716238      4.093042
  H      -7.065509      2.079030      0.767560
  H      -4.956568     -0.353699     -2.494484
  H      -3.526015     -2.406742     -2.504652
  H      -2.991900     -3.566657     -0.371170
  H      -3.852698     -2.711669      1.768436
  H      -4.838011      5.983819      5.348006
  H      -3.830187      6.760410      6.581152
  H      -2.296203      7.510650      4.590930
  H      -3.876961      8.290105      4.758692
  H      -3.234253      7.519297      2.367393
  H      -3.319982      5.861646      2.962787
  H      -7.985679      8.101971      3.956029
  H      -8.797862      5.271918      0.427933
  H      -7.352590      3.912549     -1.098887
  H      -4.881531      3.963007     -0.847606
  H      -3.824432      5.337020      0.909677
  H      -6.416943      2.198245      8.154882
  H      -6.594571      2.141046      6.393635
  H      -6.248180      4.691874      8.057369
  H      -6.497287      4.650873      6.316113
  H      -8.534087      3.384461      8.216346
  H      -8.532421      5.112321      7.990908
  H      -9.038274      3.483277      3.062940
  H     -13.371910      4.067964      4.456539
  H     -14.457546      4.504181      6.664301
  H     -13.067120      4.711666      8.716421
  H     -10.611925      4.492539      8.600322
  N      -5.013023      3.777812      4.139221
  N      -6.247167      3.383671      3.559078
  H      -7.064384      3.496720      4.240275
  H      -6.228588      2.395450      3.199451
  H      -6.464667      3.995206      2.753128
100
Coordinates from ORCA-job orca E -6259.522811133802
  N      -2.836875      1.818357      4.659423
  Mo     -3.787388      3.320719      5.465412
  N      -4.706207      2.713473      7.079367
  C      -3.882695      2.541634      8.272850
  C      -2.482644      2.099638      7.844049
  N      -1.986628      2.985078      6.747744
  C      -0.917904      2.334047      5.938173
  C      -1.560689      1.278343      5.052413
  C      -1.489141      4.286984      7.266535
  C      -1.656396      5.297107      6.147871
  N      -2.994072      5.110521      5.599422
  H      -0.905054      1.059430      4.188574
  H      -1.681257      0.325596      5.605985
  H      -0.473081      3.116253      5.308474
  H      -0.126684      1.922942      6.588173
  H      -1.535696      6.316337      6.549845
  H      -0.884523      5.174362      5.368660
  H      -2.130245      4.587155      8.107208
  H      -0.452997      4.188039      7.633691
  H      -4.302586      1.762664      8.936841
  H      -3.832704      3.472610      8.871153
  H      -2.551969      1.083911      7.431015
  H      -1.775468      2.086936      8.691047
  C      -3.788369      1.049220      3.885675
  C      -3.792939     -0.468492      4.001584
  C      -5.118881     -1.008544      3.417154
  C      -5.446004     -0.436548      2.065015
  N      -6.229516      0.645524      2.026938
  C      -6.499619      1.182754      0.806971
  N      -6.051922      0.786820     -0.361650
  C      -5.241703     -0.315530     -0.355505
  C      -4.719258     -0.793508     -1.578625
  C      -3.903126     -1.905902     -1.593448
  C      -3.583224     -2.581222     -0.393637
  C      -4.077842     -2.134895      0.813186
  C      -4.914324     -0.991069      0.863237
  C      -3.834746      6.304643      5.563883
  C      -3.393900      7.331978      4.512767
  C      -3.709658      6.850392      3.097154
  C      -5.180130      6.786745      2.776118
  N      -6.022373      7.478874      3.531756
  C      -7.346589      7.411604      3.228208
  N      -7.922406      6.705674      2.277100
  C      -7.079092      5.980456      1.478470
  C      -7.628161      5.186314      0.438878
  C      -6.796759      4.453862     -0.386140
  C      -5.395294      4.488537     -0.207166
  C      -4.834823      5.249191      0.800991
  C      -5.661425      6.003163      1.673062
  C      -6.154293      2.711563      7.236874
  C      -6.751630      4.125564      7.282650
  C      -8.256420      4.163803      7.529973
  C      -9.162129      4.027875      6.331724
  N      -8.651398      3.788604      5.126154
  C      -9.519315      3.702414      4.073761
  N     -10.823857      3.823941      4.096502
  C     -11.385167      4.061569      5.320933
  C     -12.790908      4.199048      5.419201
  C     -13.376012      4.436779      6.644991
  C     -12.582338      4.545296      7.810195
  C     -11.209147      4.416256      7.740627
  C     -10.578303      4.173382      6.495492
  H      -3.711048      1.331674      2.817012
  H      -4.773404      1.414296      4.228483
  H      -3.728537     -0.788036      5.052560
  H      -2.930970     -0.903686      3.473481
  H      -5.076983     -2.105212      3.363855
  H      -5.941375     -0.740693      4.095330
  H      -7.161354      2.054323      0.814085
  H      -4.985263     -0.260140     -2.490876
  H      -3.502293     -2.275964     -2.537163
  H      -2.941399     -3.462381     -0.425907
  H      -3.822190     -2.666623      1.728710
  H      -4.857425      5.988733      5.332338
  H      -3.854875      6.777476      6.563682
  H      -2.310791      7.515327      4.586806
  H      -3.900863      8.283118      4.719770
  H      -3.223182      7.502864      2.351304
  H      -3.282987      5.846561      2.953309
  H      -8.002294      8.017120      3.862176
  H      -8.711343      5.185167      0.311973
  H      -7.219547      3.842419     -1.185958
  H      -4.757989      3.903175     -0.870981
  H      -3.752096      5.277663      0.916882
  H      -6.422130      2.184762      8.171571
  H      -6.606409      2.137816      6.411215
  H      -6.245153      4.678221      8.087975
  H      -6.505801      4.648707      6.347926
  H      -8.534307      3.370592      8.247751
  H      -8.530765      5.100717      8.041047
  H      -9.056223      3.511676      3.099487
  H     -13.383122      4.111663      4.508248
  H     -14.460068      4.543615      6.720838
  H     -13.063695      4.732927      8.770276
  H     -10.610030      4.498766      8.646717
  N      -5.041838      3.776903      4.163583
  N      -6.275780      3.363007      3.594517
  H      -7.088583      3.479087      4.280635
  H      -6.254415      2.371333      3.244632
  H      -6.504608      3.965466      2.784792
100
Coordinates from ORCA-job orca E -6259.529078523527
  N      -2.831810      1.859144      4.630403
  Mo     -3.775606      3.379368      5.434410
  N      -4.713902      2.766831      7.041994
  C      -3.909808      2.576745      8.252489
  C      -2.505540      2.118734      7.853899
  N      -1.974916      2.997567      6.769671
  C      -0.915115      2.329037      5.964215
  C      -1.563993      1.302173      5.041281
  C      -1.475738      4.295631      7.302051
  C      -1.633541      5.327168      6.195399
  N      -2.971261      5.162419      5.624537
  H      -0.895259      1.094230      4.184855
  H      -1.704761      0.339076      5.570145
  H      -0.439462      3.110925      5.357858
  H      -0.145909      1.885531      6.618679
  H      -1.509451      6.340043      6.612499
  H      -0.854232      5.210112      5.422363
  H      -2.119655      4.587736      8.143207
  H      -0.441545      4.192955      7.675206
  H      -4.351894      1.800745      8.904128
  H      -3.861431      3.503141      8.857941
  H      -2.577593      1.103476      7.441913
  H      -1.818651      2.097593      8.717785
  C      -3.782152      1.089290      3.837886
  C      -3.802939     -0.428296      3.969867
  C      -5.138215     -0.962422      3.400143
  C      -5.474722     -0.400650      2.044635
  N      -6.248325      0.687975      2.007449
  C      -6.538870      1.210807      0.784110
  N      -6.124418      0.789593     -0.389755
  C      -5.322124     -0.317824     -0.383743
  C      -4.833362     -0.821150     -1.612339
  C      -4.024220     -1.937864     -1.627071
  C      -3.677416     -2.593409     -0.422408
  C      -4.140703     -2.124132      0.789329
  C      -4.969697     -0.974878      0.839492
  C      -3.793189      6.375518      5.592775
  C      -3.349045      7.387808      4.528749
  C      -3.649134      6.883384      3.116464
  C      -5.115500      6.760431      2.790996
  N      -5.986854      7.414457      3.547500
  C      -7.308315      7.281817      3.251910
  N      -7.853818      6.551817      2.301521
  C      -6.979230      5.869652      1.497038
  C      -7.493250      5.055669      0.455675
  C      -6.631640      4.359300     -0.367317
  C      -5.232241      4.450443     -0.184397
  C      -4.704850      5.234924      0.822229
  C      -5.563487      5.954075      1.691626
  C      -6.167493      2.764435      7.197405
  C      -6.779743      4.171534      7.243319
  C      -8.284845      4.187932      7.499427
  C      -9.209111      4.015813      6.319244
  N      -8.722903      3.761125      5.106001
  C      -9.613907      3.635362      4.075562
  N     -10.918967      3.732065      4.126664
  C     -11.454492      3.984807      5.359635
  C     -12.859016      4.096697      5.487578
  C     -13.419911      4.347018      6.722736
  C     -12.602389      4.493093      7.867815
  C     -11.229624      4.390134      7.768734
  C     -10.622934      4.135452      6.513058
  H      -3.690150      1.365060      2.768384
  H      -4.773097      1.451027      4.156060
  H      -3.741208     -0.733137      5.025861
  H      -2.945917     -0.878677      3.446312
  H      -5.111150     -2.060206      3.362473
  H      -5.951000     -0.674796      4.081887
  H      -7.190044      2.092081      0.791656
  H      -5.119231     -0.303691     -2.528714
  H      -3.649137     -2.326934     -2.574982
  H      -3.041477     -3.478612     -0.455519
  H      -3.867116     -2.641743      1.708827
  H      -4.823108      6.076229      5.369810
  H      -3.801538      6.853349      6.591118
  H      -2.268248      7.582915      4.610031
  H      -3.868344      8.337213      4.719068
  H      -3.182186      7.543724      2.364555
  H      -3.185902      5.893373      2.981695
  H      -7.990638      7.848173      3.893711
  H      -8.575886      5.007938      0.328382
  H      -7.026127      3.727861     -1.164277
  H      -4.569863      3.890914     -0.845415
  H      -3.623534      5.305573      0.943717
  H      -6.432807      2.229622      8.129036
  H      -6.619082      2.191500      6.370547
  H      -6.279890      4.735380      8.046149
  H      -6.545752      4.694019      6.303785
  H      -8.544092      3.405529      8.236051
  H      -8.565696      5.131120      7.994731
  H      -9.174139      3.430508      3.093829
  H     -13.469028      3.979613      4.591027
  H     -14.502993      4.433912      6.821708
  H     -13.064532      4.689772      8.836148
  H     -10.612719      4.502893      8.660173
  N      -5.006532      3.852639      4.120629
  N      -6.238057      3.440512      3.534087
  H      -7.058291      3.564408      4.217428
  H      -6.223747      2.443488      3.197722
  H      -6.450660      4.035977      2.712893
100
Coordinates from ORCA-job orca E -6259.530753424146
  N      -2.807646      1.837961      4.619215
  Mo     -3.760915      3.363933      5.431656
  N      -4.667347      2.742484      7.057786
  C      -3.853736      2.554189      8.267540
  C      -2.445043      2.107454      7.869064
  N      -1.919664      2.988022      6.784619
  C      -0.874119      2.324765      5.962259
  C      -1.527253      1.298746      5.031969
  C      -1.443924      4.295018      7.313484
  C      -1.641325      5.335720      6.216416
  N      -2.987021      5.160365      5.650842
  H      -0.857865      1.104421      4.172736
  H      -1.655386      0.329495      5.552090
  H      -0.403826      3.111376      5.358681
  H      -0.099040      1.874634      6.604045
  H      -1.530448      6.347063      6.640728
  H      -0.868343      5.238365      5.433813
  H      -2.081739      4.566369      8.165826
  H      -0.401785      4.219796      7.672532
  H      -4.290857      1.777674      8.919712
  H      -3.809003      3.480905      8.872751
  H      -2.508229      1.090428      7.460388
  H      -1.760501      2.092757      8.735381
  C      -3.752215      1.037549      3.835194
  C      -3.750364     -0.479272      4.001399
  C      -5.085947     -1.056982      3.473019
  C      -5.469271     -0.547098      2.108276
  N      -6.271623      0.518221      2.060655
  C      -6.619995      0.988513      0.828657
  N      -6.242567      0.530269     -0.346547
  C      -5.409612     -0.552984     -0.329290
  C      -4.957383     -1.093408     -1.558426
  C      -4.117353     -2.186047     -1.561713
  C      -3.701267     -2.780828     -0.344967
  C      -4.129706     -2.276851      0.867148
  C      -4.990302     -1.150887      0.905355
  C      -3.807807      6.381799      5.649911
  C      -3.376394      7.405312      4.590259
  C      -3.716723      6.955750      3.166782
  C      -5.191986      6.895018      2.855798
  N      -6.028511      7.539359      3.658561
  C      -7.358601      7.477554      3.375259
  N      -7.943641      6.837166      2.385554
  C      -7.105401      6.175760      1.525935
  C      -7.663288      5.461406      0.435660
  C      -6.840886      4.780576     -0.437251
  C      -5.436753      4.788558     -0.256067
  C      -4.867869      5.479543      0.794592
  C      -5.686015      6.180697      1.713962
  C      -6.121403      2.742381      7.228155
  C      -6.726688      4.149889      7.278260
  C      -8.238360      4.158063      7.480662
  C      -9.107030      4.009500      6.256837
  N      -8.562553      3.803100      5.058206
  C      -9.406003      3.708366      3.984365
  N     -10.713370      3.791581      3.980437
  C     -11.305869      3.993828      5.196931
  C     -12.715378      4.089419      5.263811
  C     -13.334105      4.290882      6.480546
  C     -12.571180      4.403115      7.667052
  C     -11.194640      4.315941      7.627353
  C     -10.528880      4.110514      6.391745
  H      -3.671702      1.296274      2.760654
  H      -4.748475      1.372805      4.147110
  H      -3.669122     -0.752573      5.065369
  H      -2.892993     -0.928986      3.477293
  H      -5.038987     -2.154338      3.471957
  H      -5.888613     -0.761843      4.163671
  H      -7.290924      1.855305      0.828194
  H      -5.295446     -0.623934     -2.484229
  H      -3.770614     -2.603140     -2.509942
  H      -3.040768     -3.647910     -0.369682
  H      -3.804787     -2.747397      1.796853
  H      -4.847832      6.100168      5.450692
  H      -3.787284      6.843896      6.655444
  H      -2.291284      7.581349      4.656318
  H      -3.875146      8.359453      4.814633
  H      -3.244113      7.632391      2.432660
  H      -3.280349      5.960113      2.985131
  H      -8.011648      8.024525      4.062275
  H      -8.748321      5.474353      0.314499
  H      -7.268119      4.221470     -1.269185
  H      -4.803145      4.240430     -0.954127
  H      -3.785111      5.483861      0.920650
  H      -6.386454      2.195122      8.152644
  H      -6.578121      2.183025      6.394319
  H      -6.251373      4.707012      8.101375
  H      -6.467629      4.681756      6.348784
  H      -8.528030      3.363011      8.192237
  H      -8.537139      5.095260      7.976485
  H      -8.925491      3.551027      3.014243
  H     -13.281261      3.999383      4.334961
  H     -14.420984      4.364947      6.532667
  H     -13.078016      4.561142      8.620521
  H     -10.621638      4.402904      8.550949
  N      -5.007857      3.815866      4.127454
  N      -6.249498      3.391945      3.558563
  H      -7.058441      3.510749      4.254245
  H      -6.234478      2.389309      3.235559
  H      -6.473902      3.974764      2.730213
100
Coordinates from ORCA-job orca E -6259.533387156567
  N      -2.801765      1.854617      4.609870
  Mo     -3.758203      3.384691      5.418088
  N      -4.682991      2.757612      7.032025
  C      -3.891991      2.570751      8.251150
  C      -2.480657      2.121346      7.876329
  N      -1.935355      2.994263      6.802238
  C      -0.891242      2.324932      5.987075
  C      -1.538539      1.304822      5.050900
  C      -1.463740      4.299830      7.328013
  C      -1.650842      5.346081      6.235738
  N      -2.990563      5.177413      5.660897
  H      -0.854506      1.101957      4.205500
  H      -1.684801      0.339600      5.573054
  H      -0.409260      3.109173      5.387617
  H      -0.124210      1.865403      6.633146
  H      -1.541670      6.353521      6.668786
  H      -0.872624      5.252364      5.457929
  H      -2.104548      4.568996      8.178775
  H      -0.423241      4.225962      7.690452
  H      -4.342365      1.795110      8.895658
  H      -3.858042      3.498174      8.855605
  H      -2.536653      1.102261      7.470581
  H      -1.811762      2.109079      8.754440
  C      -3.734359      1.052304      3.814805
  C      -3.732827     -0.462994      3.986043
  C      -5.076568     -1.021827      3.464270
  C      -5.468672     -0.474010      2.117969
  N      -6.253481      0.606292      2.108432
  C      -6.606124      1.115106      0.894573
  N      -6.247308      0.683373     -0.295339
  C      -5.429544     -0.412308     -0.316163
  C      -4.994202     -0.924561     -1.562652
  C      -4.167858     -2.028014     -1.603071
  C      -3.749107     -2.661435     -0.408068
  C      -4.161163     -2.185221      0.820015
  C      -5.007341     -1.049738      0.895978
  C      -3.802208      6.401500      5.643333
  C      -3.365196      7.397851      4.562825
  C      -3.679756      6.902733      3.150768
  C      -5.148982      6.805308      2.825393
  N      -6.007467      7.450769      3.604450
  C      -7.331917      7.358272      3.305421
  N      -7.891844      6.691273      2.317920
  C      -7.029841      6.030599      1.481084
  C      -7.559117      5.290196      0.393435
  C      -6.712207      4.605850     -0.454116
  C      -5.312297      4.632705     -0.247154
  C      -4.771348      5.348047      0.802265
  C      -5.614078      6.058937      1.692221
  C      -6.136748      2.767164      7.195495
  C      -6.737740      4.177338      7.237675
  C      -8.248991      4.191249      7.457832
  C      -9.146165      4.016998      6.257506
  N      -8.633520      3.791560      5.049052
  C      -9.504387      3.668788      4.000941
  N     -10.811686      3.739865      4.030573
  C     -11.372911      3.963249      5.258173
  C     -12.780825      4.049241      5.361322
  C     -13.368136      4.271441      6.589767
  C     -12.574414      4.414538      7.751969
  C     -11.198860      4.337083      7.676686
  C     -10.564819      4.110772      6.428271
  H      -3.638489      1.309434      2.741831
  H      -4.742927      1.378935      4.108312
  H      -3.651667     -0.735261      5.049585
  H      -2.880142     -0.917882      3.459439
  H      -5.042256     -2.119689      3.442211
  H      -5.868053     -0.729124      4.169025
  H      -7.264419      1.989828      0.924669
  H      -5.333226     -0.425527     -2.471560
  H      -3.834240     -2.422916     -2.564359
  H      -3.099516     -3.536080     -0.462628
  H      -3.835572     -2.684526      1.733378
  H      -4.844958      6.123534      5.454162
  H      -3.771814      6.881718      6.639211
  H      -2.283090      7.586783      4.638812
  H      -3.876441      8.352999      4.751762
  H      -3.212056      7.569512      2.404555
  H      -3.221171      5.912494      2.999635
  H      -8.004061      7.904438      3.975238
  H      -8.641421      5.287479      0.253239
  H      -7.117257      4.028949     -1.286510
  H      -4.660085      4.079809     -0.924533
  H      -3.691912      5.363613      0.951691
  H      -6.404015      2.226276      8.122297
  H      -6.596387      2.204506      6.365211
  H      -6.255863      4.740313      8.052234
  H      -6.485213      4.700139      6.302066
  H      -8.527075      3.412306      8.191107
  H      -8.538744      5.139176      7.938888
  H      -9.048270      3.491531      3.021859
  H     -13.370203      3.935479      4.450666
  H     -14.453846      4.338290      6.670009
  H     -13.056385      4.588730      8.715117
  H     -10.602393      4.448406      8.581986
  N      -5.001061      3.821445      4.113198
  N      -6.237544      3.361701      3.560120
  H      -7.046798      3.492598      4.254067
  H      -6.211782      2.350135      3.274194
  H      -6.463106      3.912904      2.713113
100
Coordinates from ORCA-job orca E -6259.534454832162
  N      -2.843318      1.911302      4.566044
  Mo     -3.777830      3.443639      5.403201
  N      -4.702360      2.795127      7.008265
  C      -3.918042      2.579468      8.220765
  C      -2.514473      2.120218      7.839033
  N      -1.957632      3.001307      6.784221
  C      -0.930626      2.335153      5.951270
  C      -1.591187      1.341381      5.002746
  C      -1.471345      4.291607      7.323652
  C      -1.652726      5.358583      6.255133
  N      -2.996431      5.218930      5.690690
  H      -0.906442      1.145203      4.155899
  H      -1.748323      0.369796      5.509918
  H      -0.437948      3.123389      5.364272
  H      -0.166417      1.848114      6.582185
  H      -1.525838      6.355559      6.706601
  H      -0.882796      5.267537      5.468976
  H      -2.099647      4.551343      8.186674
  H      -0.427246      4.204711      7.672337
  H      -4.380087      1.797452      8.850073
  H      -3.875768      3.496403      8.840897
  H      -2.579269      1.107629      7.417151
  H      -1.848206      2.086319      8.718738
  C      -3.771066      1.122662      3.759453
  C      -3.777979     -0.394965      3.921031
  C      -5.121366     -0.947519      3.387810
  C      -5.489178     -0.413339      2.028561
  N      -6.271984      0.668709      1.986549
  C      -6.599301      1.159785      0.759350
  N      -6.220881      0.708195     -0.415254
  C      -5.406878     -0.391007     -0.403184
  C      -4.950837     -0.925942     -1.631441
  C      -4.125626     -2.031863     -1.637881
  C      -3.728639     -2.644641     -0.426156
  C      -4.161794     -2.146359      0.784691
  C      -5.007826     -1.008657      0.825368
  C      -3.788190      6.450968      5.674728
  C      -3.345400      7.423513      4.576590
  C      -3.644065      6.882356      3.180469
  C      -5.108081      6.749480      2.853375
  N      -5.981481      7.404817      3.607284
  C      -7.301925      7.273990      3.307850
  N      -7.844602      6.556478      2.345884
  C      -6.966990      5.878204      1.540549
  C      -7.477801      5.074557      0.489258
  C      -6.614016      4.370025     -0.325637
  C      -5.215573      4.440964     -0.123009
  C      -4.692337      5.216418      0.892794
  C      -5.552999      5.947868      1.750279
  C      -6.152629      2.815428      7.181929
  C      -6.744241      4.228855      7.236575
  C      -8.253044      4.246095      7.472089
  C      -9.159796      4.038999      6.286105
  N      -8.653897      3.786298      5.081309
  C      -9.530682      3.625553      4.044658
  N     -10.838548      3.683404      4.083131
  C     -11.393713      3.935024      5.308387
  C     -12.802086      4.008417      5.420603
  C     -13.382400      4.257665      6.646879
  C     -12.581027      4.441061      7.797580
  C     -11.205032      4.376279      7.713283
  C     -10.578258      4.122670      6.466916
  H      -3.661680      1.387627      2.690169
  H      -4.786262      1.445039      4.044112
  H      -3.703864     -0.670331      4.983530
  H      -2.925800     -0.854638      3.398692
  H      -5.094060     -2.045697      3.374742
  H      -5.920056     -0.643744      4.079869
  H      -7.252920      2.037977      0.763035
  H      -5.272117     -0.442214     -2.554000
  H      -3.775920     -2.443881     -2.585159
  H      -3.078698     -3.520512     -0.454133
  H      -3.853173     -2.628382      1.712031
  H      -4.837091      6.185783      5.500578
  H      -3.737411      6.940814      6.664210
  H      -2.264552      7.618038      4.655563
  H      -3.861123      8.381336      4.735246
  H      -3.181935      7.530836      2.415101
  H      -3.170399      5.895298      3.063758
  H      -7.987344      7.831057      3.955169
  H      -8.559096      5.040280      0.349909
  H      -7.005594      3.746078     -1.131486
  H      -4.550782      3.873388     -0.775656
  H      -3.613311      5.264001      1.041171
  H      -6.413953      2.271106      8.107598
  H      -6.625395      2.260301      6.353744
  H      -6.254715      4.789697      8.046973
  H      -6.498905      4.750799      6.299514
  H      -8.521710      3.482825      8.224422
  H      -8.540535      5.204534      7.934179
  H      -9.079912      3.423328      3.067926
  H     -13.396817      3.863486      4.518547
  H     -14.468514      4.315009      6.734307
  H     -13.057166      4.636399      8.759178
  H     -10.603132      4.519416      8.609910
  N      -5.029958      3.901254      4.122525
  N      -6.279973      3.442340      3.595114
  H      -7.082646      3.582256      4.295760
  H      -6.264452      2.428680      3.313502
  H      -6.509949      3.990513      2.749911
100
Coordinates from ORCA-job orca E -6259.535965675542
  N      -2.811415      1.904654      4.570577
  Mo     -3.762684      3.437710      5.399060
  N      -4.704521      2.785178      6.994600
  C      -3.939601      2.568733      8.220189
  C      -2.528325      2.115984      7.864751
  N      -1.958419      2.998773      6.819982
  C      -0.922417      2.337465      5.995515
  C      -1.568445      1.337930      5.041967
  C      -1.487482      4.294216      7.358821
  C      -1.663939      5.360592      6.287447
  N      -3.001992      5.216736      5.707625
  H      -0.865050      1.133014      4.212112
  H      -1.735992      0.370780      5.554640
  H      -0.427534      3.126895      5.412235
  H      -0.160643      1.852665      6.631552
  H      -1.546317      6.357404      6.742281
  H      -0.884800      5.274038      5.509640
  H      -2.123923      4.550878      8.216890
  H      -0.444889      4.218450      7.716132
  H      -4.411420      1.785156      8.840124
  H      -3.910786      3.485229      8.842459
  H      -2.579118      1.102178      7.444007
  H      -1.878452      2.086446      8.757331
  C      -3.718308      1.098870      3.755077
  C      -3.704628     -0.418697      3.928960
  C      -5.052399     -0.995253      3.430430
  C      -5.489754     -0.444043      2.099480
  N      -6.317820      0.604266      2.118430
  C      -6.713194      1.113784      0.919240
  N      -6.363449      0.709459     -0.281659
  C      -5.506024     -0.355327     -0.332068
  C      -5.079023     -0.839180     -1.591696
  C      -4.211068     -1.909661     -1.660794
  C      -3.740879     -2.536820     -0.482670
  C      -4.144557     -2.088565      0.757741
  C      -5.033538     -0.988207      0.862538
  C      -3.790043      6.452301      5.665824
  C      -3.345526      7.406610      4.551535
  C      -3.637850      6.850659      3.159122
  C      -5.100798      6.722218      2.822061
  N      -5.977432      7.377479      3.572686
  C      -7.296107      7.256436      3.260719
  N      -7.834467      6.553045      2.285943
  C      -6.953259      5.879080      1.481037
  C      -7.459152      5.094369      0.412904
  C      -6.592210      4.393139     -0.401606
  C      -5.195835      4.446485     -0.179919
  C      -4.678158      5.203663      0.852286
  C      -5.541262      5.934538      1.706987
  C      -6.157383      2.816733      7.156865
  C      -6.739874      4.233966      7.221108
  C      -8.247779      4.258805      7.463570
  C      -9.155762      4.046167      6.280152
  N      -8.646968      3.797699      5.076207
  C      -9.518936      3.635173      4.036313
  N     -10.827254      3.686400      4.072182
  C     -11.386511      3.933421      5.297102
  C     -12.795602      4.000193      5.405973
  C     -13.379999      4.246937      6.630842
  C     -12.582179      4.434886      7.783380
  C     -11.205572      4.376249      7.702661
  C     -10.574814      4.124446      6.458081
  H      -3.596343      1.356547      2.685326
  H      -4.743251      1.402913      4.018871
  H      -3.608443     -0.685356      4.992027
  H      -2.855618     -0.871100      3.395200
  H      -4.999724     -2.091925      3.396689
  H      -5.831944     -0.723468      4.156841
  H      -7.400670      1.963785      0.973246
  H      -5.456266     -0.345468     -2.487806
  H      -3.883829     -2.282282     -2.632445
  H      -3.057621     -3.383757     -0.560458
  H      -3.779651     -2.580558      1.659424
  H      -4.841998      6.192696      5.501984
  H      -3.730610      6.958535      6.646594
  H      -2.265591      7.604735      4.634432
  H      -3.862537      8.366505      4.692682
  H      -3.171447      7.494194      2.392002
  H      -3.163980      5.862779      3.050986
  H      -7.984275      7.810359      3.907699
  H      -8.539243      5.072104      0.260778
  H      -6.979700      3.784333     -1.220638
  H      -4.528437      3.879044     -0.830131
  H      -3.601723      5.234667      1.019215
  H      -6.428608      2.268260      8.077113
  H      -6.630575      2.270049      6.323261
  H      -6.244473      4.787630      8.032903
  H      -6.495038      4.760111      6.286054
  H      -8.516934      3.502507      8.222776
  H      -8.530558      5.222388      7.917936
  H      -9.062934      3.440568      3.059852
  H     -13.387389      3.852774      4.502181
  H     -14.466602      4.299419      6.715648
  H     -13.061536      4.628749      8.743744
  H     -10.606574      4.523184      8.600800
  N      -5.009433      3.874418      4.109555
  N      -6.261607      3.401347      3.593892
  H      -7.068589      3.552424      4.289098
  H      -6.241030      2.383869      3.327014
  H      -6.488728      3.930899      2.735753
100
Coordinates from ORCA-job orca E -6259.536710454381
  N      -2.794533      1.906795      4.573200
  Mo     -3.749664      3.442538      5.400884
  N      -4.703088      2.786082      6.988853
  C      -3.948610      2.566413      8.222300
  C      -2.532385      2.116194      7.881522
  N      -1.953712      3.000589      6.842670
  C      -0.914189      2.343200      6.018579
  C      -1.553765      1.343562      5.060226
  C      -1.487225      4.297873      7.382463
  C      -1.662740      5.364147      6.309954
  N      -3.001199      5.221828      5.729017
  H      -0.841122      1.136327      4.238416
  H      -1.724075      0.377435      5.573388
  H      -0.417841      3.134512      5.439974
  H      -0.152547      1.856559      6.653683
  H      -1.544104      6.361243      6.764789
  H      -0.882641      5.276521      5.533204
  H      -2.123209      4.553582      8.241192
  H      -0.443753      4.226908      7.739683
  H      -4.426711      1.781875      8.835953
  H      -3.926157      3.481771      8.847292
  H      -2.575866      1.102274      7.461062
  H      -1.892179      2.087130      8.781500
  C      -3.685522      1.091324      3.749745
  C      -3.670037     -0.426364      3.929275
  C      -5.026507     -0.995594      3.446648
  C      -5.486655     -0.424891      2.131686
  N      -6.306834      0.628592      2.182100
  C      -6.719824      1.159732      0.997851
  N      -6.395193      0.771138     -0.215664
  C      -5.545758     -0.297820     -0.298320
  C      -5.145102     -0.764553     -1.573110
  C      -4.284021     -1.837647     -1.674643
  C      -3.794597     -2.484564     -0.514874
  C      -4.172746     -2.053492      0.739873
  C      -5.054493     -0.951050      0.877960
  C      -3.779766      6.463821      5.661961
  C      -3.335025      7.393761      4.525534
  C      -3.629626      6.816733      3.140852
  C      -5.093158      6.701456      2.798843
  N      -5.965407      7.376651      3.536908
  C      -7.283846      7.271273      3.217687
  N      -7.826372      6.565952      2.246852
  C      -6.949761      5.871359      1.454348
  C      -7.460782      5.078831      0.394302
  C      -6.599763      4.351617     -0.402967
  C      -5.204236      4.387383     -0.172454
  C      -4.681730      5.153437      0.850494
  C      -5.538425      5.909756      1.688221
  C      -6.158504      2.822886      7.141416
  C      -6.736650      4.242320      7.209632
  C      -8.245019      4.273474      7.447714
  C      -9.149148      4.051485      6.262276
  N      -8.635509      3.815436      5.057602
  C      -9.502186      3.647677      4.013783
  N     -10.811004      3.681570      4.047081
  C     -11.375495      3.915712      5.272087
  C     -12.785461      3.963982      5.378216
  C     -13.375405      4.199412      6.602788
  C     -12.582450      4.394426      7.757768
  C     -11.205032      4.353341      7.680022
  C     -10.569002      4.112818      6.436150
  H      -3.550812      1.342657      2.679070
  H      -4.715437      1.385191      3.995573
  H      -3.565203     -0.691670      4.991913
  H      -2.828454     -0.883206      3.387663
  H      -4.978018     -2.092090      3.398601
  H      -5.792055     -0.729393      4.189482
  H      -7.399581      2.014680      1.077339
  H      -5.536656     -0.255638     -2.454831
  H      -3.977255     -2.197265     -2.658230
  H      -3.116948     -3.333014     -0.618395
  H      -3.793496     -2.560636      1.627525
  H      -4.836760      6.214491      5.515945
  H      -3.702871      6.990134      6.631284
  H      -2.254412      7.590253      4.606152
  H      -3.847901      8.358549      4.647760
  H      -3.154728      7.443668      2.365072
  H      -3.165420      5.822599      3.048492
  H      -7.968005      7.841606      3.854347
  H      -8.540531      5.068723      0.236878
  H      -6.991648      3.733031     -1.211576
  H      -4.541515      3.797793     -0.807232
  H      -3.606876      5.167009      1.028258
  H      -6.438297      2.272232      8.058257
  H      -6.628952      2.280505      6.304007
  H      -6.242053      4.789289      8.026770
  H      -6.486521      4.774006      6.278758
  H      -8.517149      3.526242      8.214864
  H      -8.527376      5.242741      7.890313
  H      -9.040058      3.466772      3.037400
  H     -13.373618      3.811983      4.472440
  H     -14.462618      4.237545      6.685495
  H     -13.066345      4.579527      8.717765
  H     -10.609397      4.505463      8.580002
  N      -5.009343      3.861177      4.122115
  N      -6.273796      3.376812      3.643333
  H      -7.071565      3.541342      4.348160
  H      -6.254195      2.355372      3.396475
  H      -6.513809      3.885486      2.774368
100
Coordinates from ORCA-job orca E -6259.537375732521
  N      -2.792143      1.915266      4.567891
  Mo     -3.745639      3.457801      5.394164
  N      -4.724256      2.796866      6.966649
  C      -3.986027      2.560717      8.208199
  C      -2.566680      2.106466      7.884414
  N      -1.971371      2.997829      6.861647
  C      -0.926491      2.343905      6.042098
  C      -1.559865      1.348854      5.076113
  C      -1.503616      4.290077      7.413994
  C      -1.664428      5.360074      6.345455
  N      -3.000583      5.229684      5.757590
  H      -0.834264      1.137461      4.266260
  H      -1.740200      0.382983      5.586284
  H      -0.421387      3.136130      5.473031
  H      -0.170117      1.849812      6.678400
  H      -1.539827      6.355430      6.803290
  H      -0.880295      5.267736      5.573499
  H      -2.141833      4.544576      8.271432
  H      -0.461693      4.214326      7.775697
  H      -4.478071      1.773997      8.807966
  H      -3.965822      3.470656      8.841972
  H      -2.606548      1.096122      7.455032
  H      -1.939841      2.067186      8.793524
  C      -3.657711      1.097507      3.723437
  C      -3.653198     -0.421955      3.903826
  C      -5.014874     -0.986272      3.423203
  C      -5.482178     -0.422583      2.106877
  N      -6.319869      0.618091      2.149983
  C      -6.742910      1.132704      0.961666
  N      -6.416309      0.738133     -0.249016
  C      -5.551688     -0.318682     -0.324852
  C      -5.149727     -0.791875     -1.596465
  C      -4.273218     -1.852841     -1.691254
  C      -3.769376     -2.480600     -0.527180
  C      -4.149012     -2.043121      0.724801
  C      -5.046563     -0.952764      0.855893
  C      -3.766277      6.477499      5.666408
  C      -3.320634      7.388070      4.513221
  C      -3.614779      6.796400      3.133896
  C      -5.077397      6.684993      2.787709
  N      -5.953243      7.349810      3.530635
  C      -7.270835      7.241810      3.208163
  N      -7.809354      6.539954      2.232586
  C      -6.928953      5.856241      1.435366
  C      -7.435997      5.066228      0.371320
  C      -6.571336      4.348846     -0.431085
  C      -5.175847      4.393851     -0.203112
  C      -4.657150      5.158069      0.823351
  C      -5.517918      5.902845      1.667654
  C      -6.180819      2.847496      7.110717
  C      -6.744869      4.272131      7.201609
  C      -8.248631      4.317237      7.463396
  C      -9.166470      4.075595      6.293158
  N      -8.661070      3.833022      5.087141
  C      -9.531713      3.643844      4.051030
  N     -10.840726      3.662057      4.094888
  C     -11.398202      3.902764      5.322014
  C     -12.807996      3.934374      5.439845
  C     -13.390700      4.176804      6.666468
  C     -12.590656      4.395798      7.812230
  C     -11.213206      4.370427      7.723617
  C     -10.585148      4.122850      6.477725
  H      -3.491776      1.343008      2.654904
  H      -4.693683      1.389426      3.938203
  H      -3.550825     -0.687113      4.966503
  H      -2.816058     -0.888572      3.363917
  H      -4.967083     -2.082826      3.374215
  H      -5.777404     -0.720283      4.168957
  H      -7.433671      1.979453      1.034867
  H      -5.552706     -0.297636     -2.481416
  H      -3.965648     -2.217869     -2.672584
  H      -3.078992     -3.319226     -0.625072
  H      -3.757886     -2.534887      1.616020
  H      -4.827703      6.238449      5.536013
  H      -3.673440      7.020757      6.624962
  H      -2.239570      7.583606      4.592277
  H      -3.830651      8.355613      4.621415
  H      -3.135048      7.413499      2.353261
  H      -3.156341      5.798972      3.052684
  H      -7.958009      7.805747      3.847112
  H      -8.515985      5.048539      0.216181
  H      -6.961460      3.729243     -1.239446
  H      -4.509940      3.811285     -0.841031
  H      -3.582142      5.176982      1.000479
  H      -6.469350      2.289935      8.020798
  H      -6.654516      2.318164      6.267468
  H      -6.233938      4.803889      8.018686
  H      -6.501450      4.813858      6.274780
  H      -8.511405      3.586294      8.249011
  H      -8.521181      5.296600      7.890350
  H      -9.071128      3.457058      3.074581
  H     -13.402244      3.764328      4.541257
  H     -14.477735      4.202043      6.758046
  H     -13.069210      4.586540      8.773723
  H     -10.611248      4.540965      8.616192
  N      -4.995561      3.876705      4.109305
  N      -6.267359      3.402246      3.641513
  H      -7.072386      3.584103      4.336719
  H      -6.253862      2.379335      3.400458
  H      -6.500892      3.903769      2.766286
100
Coordinates from ORCA-job orca E -6259.537771769977
  N      -2.790514      1.941348      4.558305
  Mo     -3.747682      3.475543      5.399096
  N      -4.736349      2.799408      6.958845
  C      -4.006098      2.551013      8.202120
  C      -2.583941      2.103510      7.883465
  N      -1.986303      3.006556      6.873522
  C      -0.936203      2.364338      6.050504
  C      -1.563424      1.372916      5.078108
  C      -1.523652      4.293610      7.442292
  C      -1.679906      5.373939      6.383392
  N      -3.011604      5.245741      5.786750
  H      -0.831592      1.158027      4.275116
  H      -1.750394      0.407818      5.587149
  H      -0.435837      3.164011      5.487405
  H      -0.176531      1.870652      6.683207
  H      -1.560927      6.365469      6.851185
  H      -0.889794      5.291844      5.616295
  H      -2.166498      4.537625      8.299174
  H      -0.483746      4.215036      7.808188
  H      -4.500787      1.757050      8.789828
  H      -3.991393      3.453841      8.845813
  H      -2.617361      1.097072      7.444794
  H      -1.962913      2.058351      8.795741
  C      -3.639944      1.121391      3.700227
  C      -3.626175     -0.400116      3.876972
  C      -4.992354     -0.973111      3.420253
  C      -5.493970     -0.408375      2.117950
  N      -6.348942      0.616473      2.185440
  C      -6.805588      1.130332      1.009424
  N      -6.495433      0.750366     -0.210130
  C      -5.612148     -0.288755     -0.311132
  C      -5.225306     -0.744206     -1.593945
  C      -4.331239     -1.787963     -1.713801
  C      -3.794647     -2.415621     -0.564428
  C      -4.158543     -1.994767      0.698002
  C      -5.072876     -0.921753      0.854873
  C      -3.765291      6.497325      5.667225
  C      -3.312500      7.380722      4.497597
  C      -3.592531      6.758978      3.129776
  C      -5.051772      6.630580      2.776958
  N      -5.938500      7.291102      3.510669
  C      -7.252681      7.171646      3.178207
  N      -7.777734      6.463571      2.199713
  C      -6.885461      5.783365      1.412017
  C      -7.376606      4.994334      0.339966
  C      -6.499597      4.284880     -0.455800
  C      -5.107275      4.334512     -0.211003
  C      -4.603835      5.097627      0.823616
  C      -5.477151      5.838039      1.658508
  C      -6.191587      2.856924      7.096861
  C      -6.743733      4.284823      7.202765
  C      -8.245421      4.341037      7.469443
  C      -9.163921      4.084374      6.302842
  N      -8.656544      3.838814      5.097874
  C      -9.525172      3.637003      4.062411
  N     -10.834184      3.644880      4.106468
  C     -11.393370      3.888490      5.332023
  C     -12.803100      3.909882      5.450084
  C     -13.387542      4.156882      6.675149
  C     -12.589534      4.390773      7.819345
  C     -11.212073      4.374790      7.730827
  C     -10.582512      4.122389      6.486602
  H      -3.462218      1.369375      2.634326
  H      -4.680631      1.406415      3.900491
  H      -3.505921     -0.667456      4.937176
  H      -2.795884     -0.863322      3.324055
  H      -4.935310     -2.068907      3.361718
  H      -5.741347     -0.719744      4.183978
  H      -7.511270      1.962386      1.102263
  H      -5.654158     -0.250686     -2.466982
  H      -4.035247     -2.139482     -2.703490
  H      -3.091310     -3.241085     -0.681923
  H      -3.742224     -2.486863      1.577418
  H      -4.829153      6.265467      5.544689
  H      -3.663939      7.061375      6.612898
  H      -2.232879      7.582345      4.581863
  H      -3.828356      8.347919      4.580010
  H      -3.111681      7.364637      2.340945
  H      -3.127218      5.762998      3.070598
  H      -7.949132      7.733049      3.809514
  H      -8.454501      4.973166      0.171609
  H      -6.877899      3.665710     -1.270264
  H      -4.431554      3.757173     -0.843495
  H      -3.530777      5.122477      1.011743
  H      -6.489786      2.291769      7.999304
  H      -6.662800      2.339034      6.245715
  H      -6.224727      4.802316      8.024154
  H      -6.498869      4.836422      6.282064
  H      -8.508017      3.624435      8.268037
  H      -8.513074      5.328610      7.880639
  H      -9.061766      3.448102      3.088132
  H     -13.396506      3.728988      4.553194
  H     -14.474619      4.174399      6.766577
  H     -13.069897      4.585657      8.779126
  H     -10.610628      4.557055      8.621300
  N      -5.006190      3.891181      4.122859
  N      -6.288339      3.418799      3.675860
  H      -7.087825      3.600221      4.378238
  H      -6.278715      2.397719      3.427299
  H      -6.532434      3.922696      2.805279
100
Coordinates from ORCA-job orca E -6259.538182282109
  N      -2.786405      1.943300      4.566861
  Mo     -3.745583      3.479659      5.401934
  N      -4.747364      2.801863      6.953632
  C      -4.019836      2.548320      8.198433
  C      -2.595459      2.102829      7.884277
  N      -1.994776      3.012782      6.881410
  C      -0.935912      2.376569      6.063481
  C      -1.553123      1.386085      5.084868
  C      -1.534072      4.295393      7.464499
  C      -1.685601      5.379001      6.408637
  N      -3.015462      5.251199      5.809318
  H      -0.819780      1.179809      4.281244
  H      -1.733125      0.416682      5.588092
  H      -0.435687      3.181216      5.507273
  H      -0.177960      1.885158      6.699631
  H      -1.567098      6.371328      6.874849
  H      -0.892783      5.296363      5.644272
  H      -2.182037      4.533511      8.318845
  H      -0.496835      4.211692      7.835484
  H      -4.516001      1.751844      8.781276
  H      -4.006858      3.448403      8.845671
  H      -2.626063      1.098697      7.440373
  H      -1.978503      2.054820      8.798657
  C      -3.613455      1.121352      3.690317
  C      -3.618819     -0.400537      3.874301
  C      -4.995869     -0.951348      3.425677
  C      -5.487845     -0.385476      2.120722
  N      -6.310984      0.664884      2.181562
  C      -6.755203      1.181884      1.001894
  N      -6.461144      0.780876     -0.214986
  C      -5.607333     -0.282920     -0.309371
  C      -5.236875     -0.759379     -1.589668
  C      -4.370719     -1.826884     -1.703363
  C      -3.846867     -2.457801     -0.549864
  C      -4.195864     -2.016963      0.710062
  C      -5.081945     -0.919698      0.860872
  C      -3.757125      6.506999      5.665166
  C      -3.296489      7.368409      4.483035
  C      -3.579995      6.734708      3.122443
  C      -5.039381      6.628276      2.764244
  N      -5.920180      7.296495      3.497790
  C      -7.234581      7.196711      3.159508
  N      -7.765053      6.498349      2.177258
  C      -6.878461      5.808461      1.390364
  C      -7.375633      5.027999      0.315592
  C      -6.504939      4.311783     -0.480445
  C      -5.112221      4.348134     -0.234819
  C      -4.602174      5.102251      0.803109
  C      -5.470090      5.846235      1.640587
  C      -6.201924      2.859297      7.085981
  C      -6.746568      4.288894      7.206497
  C      -8.247453      4.355782      7.470588
  C      -9.165445      4.087947      6.305728
  N      -8.657868      3.862240      5.096269
  C      -9.527187      3.655527      4.061837
  N     -10.835943      3.642339      4.110377
  C     -11.394385      3.865820      5.339566
  C     -12.803592      3.864518      5.462884
  C     -13.387249      4.092730      6.692109
  C     -12.589278      4.329963      7.835736
  C     -11.212231      4.335456      7.742313
  C     -10.583500      4.102148      6.493657
  H      -3.405893      1.359408      2.627724
  H      -4.655136      1.417820      3.860162
  H      -3.498130     -0.667200      4.934764
  H      -2.799717     -0.880042      3.318894
  H      -4.959732     -2.048417      3.371725
  H      -5.737715     -0.679555      4.190113
  H      -7.436324      2.034839      1.088682
  H      -5.655477     -0.261992     -2.465369
  H      -4.086889     -2.194379     -2.690757
  H      -3.165222     -3.302041     -0.661931
  H      -3.789122     -2.512773      1.591718
  H      -4.823563      6.283195      5.549993
  H      -3.647983      7.088877      6.599387
  H      -2.215278      7.561909      4.566100
  H      -3.805912      8.340252      4.553680
  H      -3.082456      7.320014      2.328827
  H      -3.134835      5.728214      3.079096
  H      -7.925897      7.764808      3.790521
  H      -8.453177      5.019613      0.143949
  H      -6.889059      3.699635     -1.297427
  H      -4.440689      3.769178     -0.870353
  H      -3.528077      5.119796      0.988647
  H      -6.507597      2.285915      7.980959
  H      -6.667575      2.350133      6.227220
  H      -6.224409      4.789447      8.036619
  H      -6.495427      4.854057      6.295686
  H      -8.512694      3.654410      8.281356
  H      -8.510587      5.351871      7.864482
  H      -9.064189      3.484509      3.084659
  H     -13.397882      3.681905      4.566924
  H     -14.474069      4.092594      6.787291
  H     -13.069510      4.510305      8.798455
  H     -10.609648      4.520280      8.631425
  N      -5.004621      3.887071      4.122517
  N      -6.290522      3.417998      3.682248
  H      -7.092709      3.608725      4.380632
  H      -6.283879      2.395189      3.442785
  H      -6.537254      3.913153      2.807108
100
Coordinates from ORCA-job orca E -6259.538622758755
  N      -2.787719      1.964483      4.566921
  Mo     -3.745782      3.495092      5.410319
  N      -4.755106      2.808039      6.952904
  C      -4.027638      2.544461      8.194878
  C      -2.602418      2.104373      7.876918
  N      -2.003333      3.025176      6.881267
  C      -0.938941      2.396395      6.063278
  C      -1.552057      1.409116      5.080315
  C      -1.542324      4.299688      7.483585
  C      -1.691610      5.395245      6.440092
  N      -3.018383      5.268317      5.835100
  H      -0.821115      1.206526      4.273871
  H      -1.730716      0.436972      5.579281
  H      -0.443719      3.207286      5.511109
  H      -0.179727      1.908522      6.700139
  H      -1.579098      6.384055      6.915033
  H      -0.893789      5.323523      5.679268
  H      -2.195948      4.526310      8.336445
  H      -0.507949      4.206370      7.858885
  H      -4.521681      1.740949      8.770011
  H      -4.016757      3.438210      8.850859
  H      -2.631885      1.104114      7.424378
  H      -1.984972      2.051118      8.790422
  C      -3.599644      1.147802      3.671127
  C      -3.626197     -0.373758      3.862550
  C      -5.015749     -0.908674      3.433892
  C      -5.510038     -0.353377      2.125351
  N      -6.318050      0.709107      2.176792
  C      -6.765231      1.214519      0.992890
  N      -6.486033      0.791256     -0.219737
  C      -5.647096     -0.285056     -0.304842
  C      -5.292570     -0.784379     -1.581136
  C      -4.441790     -1.865096     -1.686040
  C      -3.918710     -2.487032     -0.527313
  C      -4.252575     -2.023948      0.728734
  C      -5.121724     -0.912128      0.870587
  C      -3.747862      6.528262      5.669400
  C      -3.275161      7.372366      4.479819
  C      -3.547500      6.726880      3.123184
  C      -5.003420      6.620685      2.750244
  N      -5.893145      7.283990      3.477516
  C      -7.204169      7.180408      3.127357
  N      -7.722995      6.485094      2.136849
  C      -6.826014      5.803622      1.353038
  C      -7.309475      5.030349      0.267479
  C      -6.428494      4.322788     -0.524704
  C      -5.038614      4.360712     -0.263891
  C      -4.541192      5.108125      0.785015
  C      -5.420284      5.843466      1.618362
  C      -6.208948      2.860195      7.082337
  C      -6.754605      4.288390      7.213209
  C      -8.255909      4.357731      7.473680
  C      -9.174448      4.076392      6.311846
  N      -8.669567      3.870626      5.097014
  C      -9.542089      3.660113      4.065718
  N     -10.850072      3.625057      4.121368
  C     -11.405025      3.826528      5.355633
  C     -12.813133      3.801826      5.486884
  C     -13.393186      4.010114      6.721358
  C     -12.593003      4.250054      7.862882
  C     -11.216961      4.277592      7.761873
  C     -10.591450      4.064851      6.507411
  H      -3.364117      1.379619      2.613008
  H      -4.639104      1.461779      3.814543
  H      -3.497143     -0.637424      4.922869
  H      -2.820691     -0.868678      3.301069
  H      -4.996839     -2.006849      3.392398
  H      -5.746074     -0.616819      4.202082
  H      -7.431930      2.079666      1.071722
  H      -5.710962     -0.293259     -2.460432
  H      -4.169577     -2.250027     -2.670017
  H      -3.249709     -3.342298     -0.631942
  H      -3.846013     -2.514172      1.613590
  H      -4.815332      6.310357      5.553028
  H      -3.638507      7.124175      6.594909
  H      -2.194534      7.565478      4.569935
  H      -3.785785      8.344784      4.536796
  H      -3.036623      7.299875      2.329350
  H      -3.108215      5.716788      3.095245
  H      -7.903280      7.741950      3.755681
  H      -8.384978      5.020745      0.083456
  H      -6.802486      3.715968     -1.350280
  H      -4.358620      3.789003     -0.897036
  H      -3.468752      5.127809      0.980401
  H      -6.518345      2.277890      7.970359
  H      -6.667728      2.356182      6.217156
  H      -6.232625      4.777730      8.050324
  H      -6.500110      4.864809      6.310320
  H      -8.521235      3.670758      8.296123
  H      -8.518112      5.361072      7.850465
  H      -9.082456      3.508032      3.083723
  H     -13.410106      3.618062      4.592965
  H     -14.479334      3.991988      6.822316
  H     -13.070947      4.414872      8.829491
  H     -10.611671      4.464522      8.648584
  N      -5.005690      3.901932      4.129349
  N      -6.291738      3.438938      3.685794
  H      -7.093585      3.626127      4.386230
  H      -6.287614      2.417381      3.438643
  H      -6.541681      3.942150      2.815827
100
Coordinates from ORCA-job orca E -6259.539127895966
  N      -2.786225      1.988836      4.558866
  Mo     -3.746941      3.509086      5.413349
  N      -4.761108      2.808977      6.946779
  C      -4.034719      2.534638      8.185427
  C      -2.609101      2.102074      7.863209
  N      -2.012857      3.035474      6.876084
  C      -0.941889      2.417291      6.057667
  C      -1.548231      1.434799      5.066841
  C      -1.555229      4.302337      7.497473
  C      -1.703635      5.412721      6.469809
  N      -3.025739      5.285551      5.855748
  H      -0.818979      1.241309      4.256710
  H      -1.723465      0.457727      5.558170
  H      -0.452438      3.235988      5.511200
  H      -0.182050      1.932476      6.695754
  H      -1.601682      6.395539      6.959257
  H      -0.898906      5.357853      5.714131
  H      -2.216618      4.514600      8.347993
  H      -0.523810      4.201561      7.878073
  H      -4.525988      1.722789      8.751609
  H      -4.027962      3.421245      8.851514
  H      -2.636239      1.105989      7.401386
  H      -1.990830      2.043678      8.775967
  C      -3.582074      1.178461      3.642125
  C      -3.631259     -0.340730      3.851003
  C      -5.032431     -0.863903      3.446935
  C      -5.533297     -0.321301      2.135764
  N      -6.327452      0.751919      2.180076
  C      -6.779836      1.247873      0.993975
  N      -6.517816      0.804242     -0.214849
  C      -5.693572     -0.284114     -0.292936
  C      -5.357552     -0.804769     -1.565717
  C      -4.521436     -1.897582     -1.664050
  C      -3.995653     -2.511007     -0.502043
  C      -4.311718     -2.027250      0.750674
  C      -5.164874     -0.902412      0.885554
  C      -3.746104      6.548405      5.675377
  C      -3.258958      7.381035      4.482847
  C      -3.516797      6.725094      3.128812
  C      -4.968143      6.619386      2.737440
  N      -5.866196      7.288110      3.449666
  C      -7.173055      7.180940      3.085899
  N      -7.680233      6.481163      2.092464
  C      -6.773551      5.797753      1.320668
  C      -7.243600      5.023145      0.230536
  C      -6.353005      4.312428     -0.548191
  C      -4.967015      4.348134     -0.267982
  C      -4.482260      5.097951      0.785332
  C      -5.371247      5.837634      1.603907
  C      -6.214416      2.858519      7.077266
  C      -6.759925      4.285049      7.223046
  C      -8.261816      4.354064      7.480482
  C      -9.178767      4.066280      6.319823
  N      -8.673144      3.883167      5.101704
  C      -9.545552      3.674728      4.070115
  N     -10.852775      3.619367      4.128333
  C     -11.408062      3.793762      5.366807
  C     -12.815350      3.745652      5.500622
  C     -13.395569      3.928827      6.738843
  C     -12.596626      4.165833      7.881833
  C     -11.221473      4.215267      7.778352
  C     -10.595093      4.028651      6.519683
  H      -3.313355      1.400732      2.589596
  H      -4.617726      1.513227      3.754567
  H      -3.493029     -0.593515      4.912849
  H      -2.838768     -0.853226      3.286948
  H      -5.028846     -1.962757      3.422243
  H      -5.749664     -0.550818      4.219192
  H      -7.433720      2.123167      1.067369
  H      -5.778020     -0.319637     -2.447317
  H      -4.262895     -2.298761     -2.645186
  H      -3.338867     -3.376280     -0.601270
  H      -3.903055     -2.511973      1.637613
  H      -4.813662      6.334719      5.551339
  H      -3.641932      7.152296      6.596246
  H      -2.179497      7.574788      4.583317
  H      -3.771027      8.353583      4.526956
  H      -2.990573      7.285238      2.336144
  H      -3.083025      5.711948      3.116748
  H      -7.879684      7.743708      3.704615
  H      -8.316487      5.014460      0.031738
  H      -6.716498      3.704462     -1.377618
  H      -4.279336      3.773740     -0.890300
  H      -3.412577      5.115958      0.994616
  H      -6.524074      2.264923      7.957474
  H      -6.671926      2.363379      6.205750
  H      -6.239404      4.763510      8.067300
  H      -6.502409      4.872124      6.327801
  H      -8.528546      3.676216      8.309285
  H      -8.523088      5.362554      7.845381
  H      -9.087634      3.545337      3.083753
  H     -13.411723      3.564866      4.605706
  H     -14.481194      3.892854      6.841651
  H     -13.074932      4.310703      8.851385
  H     -10.617032      4.399880      8.666032
  N      -5.004112      3.916144      4.127851
  N      -6.286720      3.459139      3.671621
  H      -7.089908      3.639381      4.371667
  H      -6.284505      2.438995      3.413241
  H      -6.535249      3.973336      2.807540
100
Coordinates from ORCA-job orca E -6259.539692928956
  N      -2.783423      2.016372      4.539506
  Mo     -3.744162      3.523599      5.412446
  N      -4.760532      2.809932      6.938025
  C      -4.036688      2.519790      8.172916
  C      -2.612145      2.092671      7.845062
  N      -2.017193      3.037779      6.866441
  C      -0.942695      2.429520      6.044054
  C      -1.545694      1.455955      5.042007
  C      -1.561989      4.297410      7.503788
  C      -1.707458      5.425234      6.493709
  N      -3.024883      5.302511      5.868033
  H      -0.818377      1.273048      4.227549
  H      -1.719944      0.473124      5.522817
  H      -0.457885      3.255474      5.503829
  H      -0.183287      1.943960      6.681845
  H      -1.615797      6.398509      7.003893
  H      -0.895342      5.389601      5.744056
  H      -2.231407      4.496336      8.351485
  H      -0.533305      4.189364      7.889685
  H      -4.527086      1.699298      8.727909
  H      -4.033354      3.397312      8.851780
  H      -2.639122      1.101144      7.373427
  H      -1.992092      2.026797      8.756603
  C      -3.568638      1.215700      3.601636
  C      -3.646076     -0.298020      3.840299
  C      -5.055892     -0.814828      3.458106
  C      -5.555635     -0.301739      2.134766
  N      -6.338722      0.780522      2.153841
  C      -6.790849      1.252129      0.957593
  N      -6.538430      0.774570     -0.239929
  C      -5.726892     -0.325151     -0.292426
  C      -5.402277     -0.882663     -1.552326
  C      -4.579241     -1.987478     -1.625080
  C      -4.055896     -2.577081     -0.449667
  C      -4.360985     -2.057384      0.791133
  C      -5.200060     -0.919368      0.899159
  C      -3.736207      6.570466      5.685327
  C      -3.233102      7.401974      4.496728
  C      -3.482063      6.744951      3.141391
  C      -4.930905      6.643399      2.738057
  N      -5.831478      7.315656      3.444366
  C      -7.136799      7.206700      3.076517
  N      -7.640398      6.507254      2.080820
  C      -6.730523      5.825761      1.311058
  C      -7.196278      5.055710      0.215757
  C      -6.302559      4.344147     -0.559409
  C      -4.918801      4.373911     -0.268865
  C      -4.438657      5.120774      0.788986
  C      -5.329833      5.862927      1.602181
  C      -6.214934      2.858180      7.070634
  C      -6.765864      4.281664      7.221779
  C      -8.269773      4.341856      7.474496
  C      -9.186893      4.049901      6.315880
  N      -8.684503      3.887874      5.093877
  C      -9.560156      3.685785      4.064290
  N     -10.866423      3.613324      4.127789
  C     -11.418212      3.759987      5.372024
  C     -12.824336      3.690458      5.511025
  C     -13.401234      3.848107      6.753972
  C     -12.599906      4.079777      7.896326
  C     -11.225986      4.149303      7.787501
  C     -10.602076      3.989074      6.523756
  H      -3.264373      1.423780      2.555393
  H      -4.597014      1.576162      3.683401
  H      -3.504467     -0.528332      4.906696
  H      -2.862795     -0.832626      3.283916
  H      -5.066581     -1.913767      3.466486
  H      -5.765056     -0.470735      4.224717
  H      -7.434695      2.136047      1.011593
  H      -5.820789     -0.415629     -2.444641
  H      -4.329233     -2.417010     -2.596416
  H      -3.410063     -3.452494     -0.528921
  H      -3.954689     -2.524248      1.688831
  H      -4.803643      6.363271      5.547539
  H      -3.640267      7.171268      6.608711
  H      -2.154391      7.593205      4.607581
  H      -3.742420      8.376199      4.535325
  H      -2.944896      7.297805      2.351125
  H      -3.052780      5.729742      3.135390
  H      -7.846150      7.767921      3.693438
  H      -8.268008      5.049710      0.010647
  H      -6.661648      3.739513     -1.393163
  H      -4.228812      3.797772     -0.887024
  H      -3.371115      5.133189      1.006671
  H      -6.520939      2.256269      7.946006
  H      -6.674328      2.368607      6.195800
  H      -6.252318      4.760620      8.069788
  H      -6.507018      4.870762      6.328236
  H      -8.536445      3.668149      8.305922
  H      -8.533488      5.352888      7.832057
  H      -9.108359      3.579735      3.071703
  H     -13.422019      3.514481      4.616018
  H     -14.485939      3.796026      6.861039
  H     -13.075308      4.204184      8.870045
  H     -10.620760      4.329557      8.675564
  N      -5.003396      3.936255      4.129768
  N      -6.288008      3.495988      3.667864
  H      -7.081103      3.672657      4.377475
  H      -6.297533      2.476880      3.396571
  H      -6.534846      4.024039      2.811672
100
Coordinates from ORCA-job orca E -6259.540391000387
  N      -2.777388      2.038920      4.525016
  Mo     -3.748168      3.532282      5.410549
  N      -4.762318      2.802102      6.930245
  C      -4.039040      2.500327      8.162899
  C      -2.612464      2.083896      7.831337
  N      -2.023078      3.042941      6.862681
  C      -0.941702      2.451979      6.036474
  C      -1.534471      1.483903      5.022519
  C      -1.579785      4.300476      7.512859
  C      -1.727362      5.438172      6.514922
  N      -3.040326      5.314760      5.879151
  H      -0.805844      1.320344      4.204866
  H      -1.697288      0.493089      5.490478
  H      -0.462726      3.286878      5.505142
  H      -0.180795      1.966302      6.672452
  H      -1.646094      6.404469      7.040219
  H      -0.909934      5.417481      5.770608
  H      -2.256077      4.486662      8.358166
  H      -0.552102      4.196075      7.902825
  H      -4.526218      1.671046      8.707881
  H      -4.042004      3.369611      8.852745
  H      -2.633221      1.097074      7.349578
  H      -1.991379      2.012701      8.742032
  C      -3.543474      1.241013      3.567754
  C      -3.650038     -0.266449      3.836667
  C      -5.070450     -0.770449      3.474753
  C      -5.576198     -0.267225      2.150259
  N      -6.344155      0.826128      2.165102
  C      -6.801309      1.292702      0.968912
  N      -6.567506      0.799259     -0.225808
  C      -5.773765     -0.313755     -0.274217
  C      -5.471691     -0.890728     -1.530698
  C      -4.666469     -2.008918     -1.599198
  C      -4.138828     -2.593024     -0.422984
  C      -4.422227     -2.054607      0.814908
  C      -5.243140     -0.903097      0.918091
  C      -3.750882      6.581621      5.688775
  C      -3.233519      7.415202      4.505864
  C      -3.461014      6.752219      3.149207
  C      -4.902891      6.645511      2.723414
  N      -5.816219      7.318942      3.412290
  C      -7.115385      7.202592      3.025582
  N      -7.601845      6.495202      2.026650
  C      -6.678510      5.812772      1.274929
  C      -7.125732      5.033534      0.178075
  C      -6.218083      4.319354     -0.579080
  C      -4.838994      4.356320     -0.268515
  C      -4.377356      5.112309      0.791361
  C      -5.282644      5.857127      1.586340
  C      -6.217518      2.850240      7.067270
  C      -6.767401      4.272526      7.232839
  C      -8.271483      4.328944      7.486200
  C      -9.187601      4.039536      6.327107
  N      -8.684056      3.898782      5.103586
  C      -9.557616      3.703254      4.071602
  N     -10.863200      3.615962      4.134433
  C     -11.416274      3.737660      5.381460
  C     -12.821685      3.649262      5.518993
  C     -13.400448      3.782803      6.763784
  C     -12.601255      4.008267      7.908862
  C     -11.228066      4.095518      7.801265
  C     -10.602079      3.959848      6.536015
  H      -3.201363      1.430481      2.529586
  H      -4.565652      1.620229      3.614707
  H      -3.506329     -0.475154      4.906941
  H      -2.877929     -0.825117      3.288291
  H      -5.096286     -1.868724      3.501992
  H      -5.767595     -0.404780      4.242540
  H      -7.430121      2.187299      1.020629
  H      -5.892577     -0.427621     -2.423971
  H      -4.433905     -2.453433     -2.568158
  H      -3.507014     -3.478818     -0.499331
  H      -4.013291     -2.516653      1.713918
  H      -4.816139      6.373657      5.534460
  H      -3.669614      7.180263      6.614605
  H      -2.157400      7.611337      4.631774
  H      -3.745744      8.387943      4.534589
  H      -2.911911      7.300377      2.363787
  H      -3.030068      5.737809      3.154481
  H      -7.836117      7.765012      3.628004
  H      -8.194393      5.021581     -0.042010
  H      -6.562472      3.707910     -1.414182
  H      -4.137848      3.778160     -0.872038
  H      -3.313445      5.129089      1.025918
  H      -6.518666      2.238877      7.937518
  H      -6.683222      2.371257      6.189543
  H      -6.256726      4.746857      8.084897
  H      -6.507965      4.866273      6.342715
  H      -8.537879      3.654474      8.316668
  H      -8.535634      5.340392      7.843296
  H      -9.106643      3.616458      3.076563
  H     -13.416703      3.478642      4.621164
  H     -14.484501      3.716456      6.870189
  H     -13.077521      4.113526      8.884409
  H     -10.625885      4.270802      8.692524
  N      -5.004698      3.943479      4.125800
  N      -6.286928      3.512931      3.650985
  H      -7.079066      3.679820      4.361654
  H      -6.299253      2.496999      3.362915
  H      -6.527747      4.054971      2.802190
100
Coordinates from ORCA-job orca E -6259.541252231787
  N      -2.769698      2.060585      4.506682
  Mo     -3.756647      3.536662      5.409441
  N      -4.762244      2.785851      6.925505
  C      -4.037995      2.471819      8.156753
  C      -2.607192      2.069325      7.821567
  N      -2.026796      3.043233      6.864092
  C      -0.939850      2.474902      6.030058
  C      -1.522248      1.512082      5.004009
  C      -1.601577      4.302718      7.522607
  C      -1.752750      5.444436      6.531291
  N      -3.061288      5.320612      5.885342
  H      -0.788891      1.368836      4.186610
  H      -1.672523      0.513881      5.458797
  H      -0.467610      3.319261      5.509021
  H      -0.174369      1.986855      6.659071
  H      -1.680282      6.404581      7.069787
  H      -0.931683      5.435343      5.791761
  H      -2.282097      4.478652      8.366744
  H      -0.573206      4.211324      7.914906
  H      -4.521165      1.633313      8.690762
  H      -4.048106      3.331762      8.857804
  H      -2.617887      1.087842      7.328747
  H      -1.984988      1.992644      8.730863
  C      -3.513195      1.261411      3.532846
  C      -3.648924     -0.238831      3.835316
  C      -5.078661     -0.729920      3.489267
  C      -5.589574     -0.239780      2.162916
  N      -6.343866      0.863469      2.171586
  C      -6.805102      1.322454      0.974358
  N      -6.587220      0.813405     -0.217040
  C      -5.808671     -0.310444     -0.259665
  C      -5.525015     -0.906299     -1.511360
  C      -4.735283     -2.035843     -1.572952
  C      -4.204442     -2.612851     -0.394701
  C      -4.469585     -2.055738      0.839113
  C      -5.275263     -0.892806      0.934869
  C      -3.772687      6.584706      5.687045
  C      -3.241496      7.422197      4.512212
  C      -3.451629      6.755259      3.154285
  C      -4.887103      6.652301      2.708937
  N      -5.807270      7.336569      3.377974
  C      -7.100229      7.228270      2.968468
  N      -7.574889      6.515521      1.967184
  C      -6.644586      5.818651      1.239072
  C      -7.079224      5.031644      0.142094
  C      -6.164184      4.304628     -0.593955
  C      -4.789864      4.336593     -0.262367
  C      -4.341144      5.098909      0.798378
  C      -5.253984      5.856351      1.572801
  C      -6.218091      2.834753      7.067250
  C      -6.763887      4.256490      7.251696
  C      -8.267131      4.308754      7.509071
  C      -9.180631      4.032532      6.344644
  N      -8.672160      3.915550      5.121147
  C      -9.538883      3.731649      4.081798
  N     -10.844250      3.634013      4.137881
  C     -11.402612      3.730372      5.385181
  C     -12.807824      3.627745      5.514644
  C     -13.393445      3.735968      6.758898
  C     -12.600401      3.949826      7.910420
  C     -11.227261      4.050410      7.810595
  C     -10.595072      3.940017      6.546996
  H      -3.132594      1.427353      2.504814
  H      -4.530118      1.653454      3.543373
  H      -3.508304     -0.421432      4.910365
  H      -2.886553     -0.824434      3.301429
  H      -5.118513     -1.827002      3.537783
  H      -5.765994     -0.341752      4.254980
  H      -7.422847      2.224693      1.022542
  H      -5.947195     -0.448881     -2.406946
  H      -4.517637     -2.495063     -2.538554
  H      -3.584625     -3.507523     -0.466465
  H      -4.059323     -2.510392      1.741191
  H      -4.835249      6.376468      5.516144
  H      -3.704858      7.178692      6.616875
  H      -2.167131      7.619315      4.652039
  H      -3.751993      8.395603      4.532120
  H      -2.892495      7.300717      2.373633
  H      -3.021677      5.740705      3.167716
  H      -7.827087      7.802659      3.551982
  H      -8.144349      5.024435     -0.094433
  H      -6.499325      3.687702     -1.428845
  H      -4.082578      3.749561     -0.849930
  H      -3.280845      5.112442      1.050577
  H      -6.514037      2.213942      7.932679
  H      -6.692222      2.370116      6.186956
  H      -6.254543      4.725115      8.107506
  H      -6.505313      4.855796      6.365333
  H      -8.531866      3.622774      8.330771
  H      -8.533130      5.314875      7.879398
  H      -9.083454      3.664926      3.087607
  H     -13.396438      3.466777      4.610835
  H     -14.477171      3.658807      6.859798
  H     -13.081024      4.035533      8.885841
  H     -10.631728      4.216706      8.708219
  N      -5.011676      3.945680      4.127034
  N      -6.294331      3.526322      3.642723
  H      -7.086581      3.685318      4.352582
  H      -6.309218      2.514562      3.337506
  H      -6.527186      4.081712      2.800761
100
Coordinates from ORCA-job orca E -6259.542142156356
  N      -2.756047      2.074219      4.496171
  Mo     -3.757301      3.538566      5.409120
  N      -4.759269      2.773406      6.920761
  C      -4.035559      2.449734      8.151822
  C      -2.600414      2.058575      7.816367
  N      -2.025381      3.043507      6.868083
  C      -0.932376      2.492014      6.031123
  C      -1.505110      1.533333      4.995301
  C      -1.615027      4.304585      7.533548
  C      -1.766634      5.447537      6.544418
  N      -3.070929      5.322857      5.890087
  H      -0.767140      1.405209      4.179437
  H      -1.646142      0.529585      5.439930
  H      -0.463256      3.343390      5.519701
  H      -0.164697      2.001737      6.655971
  H      -1.700570      6.404704      7.089631
  H      -0.942219      5.444844      5.809248
  H      -2.299585      4.473500      8.375642
  H      -0.587040      4.223413      7.929549
  H      -4.516330      1.604089      8.676216
  H      -4.051685      3.302349      8.861022
  H      -2.602487      1.081268      7.315166
  H      -1.979128      1.977688      8.725649
  C      -3.476381      1.273150      3.507639
  C      -3.651204     -0.219016      3.839154
  C      -5.092519     -0.684539      3.504435
  C      -5.599935     -0.207357      2.173137
  N      -6.334689      0.909113      2.168278
  C      -6.793212      1.357922      0.966359
  N      -6.589530      0.827751     -0.218513
  C      -5.831251     -0.310080     -0.247934
  C      -5.564167     -0.930249     -1.491376
  C      -4.795340     -2.074711     -1.538734
  C      -4.269106     -2.642935     -0.354155
  C      -4.518271     -2.061983      0.872084
  C      -5.302967     -0.883577      0.953207
  C      -3.782920      6.584814      5.685897
  C      -3.243852      7.425425      4.517209
  C      -3.445179      6.758755      3.157810
  C      -4.877736      6.659815      2.704076
  N      -5.800564      7.345268      3.368089
  C      -7.090953      7.242733      2.948851
  N      -7.560911      6.531090      1.944410
  C      -6.628172      5.830396      1.223757
  C      -7.057884      5.044232      0.124050
  C      -6.140233      4.316151     -0.607252
  C      -4.767393      4.345937     -0.268689
  C      -4.323551      5.106367      0.795194
  C      -5.239492      5.864627      1.565645
  C      -6.215580      2.819430      7.061466
  C      -6.760859      4.240422      7.254728
  C      -8.264295      4.291046      7.510316
  C      -9.176340      4.021455      6.342024
  N      -8.668133      3.922077      5.116601
  C      -9.533730      3.744869      4.074995
  N     -10.838622      3.638731      4.130240
  C     -11.396331      3.717205      5.378782
  C     -12.800695      3.604058      5.507445
  C     -13.386866      3.694450      6.753141
  C     -12.594478      3.900697      7.906413
  C     -11.221860      4.011127      7.807393
  C     -10.589899      3.918556      6.542899
  H      -3.055946      1.411056      2.491753
  H      -4.485753      1.682980      3.478283
  H      -3.516631     -0.380038      4.918317
  H      -2.903483     -0.836223      3.320427
  H      -5.155049     -1.779503      3.573981
  H      -5.769007     -0.268145      4.265145
  H      -7.395841      2.270613      1.004514
  H      -5.981916     -0.479586     -2.392413
  H      -4.590892     -2.552672     -2.498107
  H      -3.665581     -3.549499     -0.415198
  H      -4.112356     -2.508426      1.780110
  H      -4.843653      6.375756      5.505458
  H      -3.723282      7.176463      6.618003
  H      -2.170325      7.622252      4.664700
  H      -3.753000      8.399359      4.533636
  H      -2.882016      7.304911      2.380289
  H      -3.016136      5.743976      3.173499
  H      -7.819827      7.820920      3.526026
  H      -8.121654      5.039624     -0.118441
  H      -6.472500      3.700998     -1.444667
  H      -4.057551      3.759417     -0.853718
  H      -3.264246      5.119865      1.052627
  H      -6.510308      2.193882      7.924106
  H      -6.690489      2.361985      6.178566
  H      -6.254589      4.705138      8.114488
  H      -6.499989      4.843950      6.372115
  H      -8.528526      3.599034      8.327276
  H      -8.532686      5.293648      7.887993
  H      -9.077850      3.691645      3.080714
  H     -13.387969      3.449570      4.601644
  H     -14.469907      3.609197      6.853790
  H     -13.074861      3.972779      8.883120
  H     -10.627709      4.171565      8.707055
  N      -5.008922      3.943774      4.126593
  N      -6.292795      3.536243      3.634691
  H      -7.086786      3.690606      4.342939
  H      -6.309183      2.527973      3.316808
  H      -6.518400      4.102289      2.797902
100
Coordinates from ORCA-job orca E -6259.543125060488
  N      -2.744350      2.085098      4.484836
  Mo     -3.759156      3.537766      5.413823
  N      -4.753377      2.757348      6.922749
  C      -4.027115      2.422011      8.151680
  C      -2.587386      2.042475      7.813615
  N      -2.018334      3.037154      6.874219
  C      -0.923748      2.500199      6.031684
  C      -1.493385      1.548203      4.988708
  C      -1.620865      4.300109      7.544117
  C      -1.772260      5.440991      6.551816
  N      -3.073718      5.316902      5.892480
  H      -0.750229      1.426817      4.176654
  H      -1.632655      0.541040      5.426037
  H      -0.455115      3.357318      5.530361
  H      -0.152249      2.003668      6.647194
  H      -1.708143      6.398371      7.097517
  H      -0.946753      5.439671      5.818585
  H      -2.305001      4.465078      8.386739
  H      -0.592426      4.230407      7.941431
  H      -4.505265      1.569137      8.665547
  H      -4.045638      3.266584      8.868840
  H      -2.582192      1.069745      7.303608
  H      -1.966806      1.955516      8.722153
  C      -3.442620      1.280344      3.487513
  C      -3.654341     -0.205276      3.843273
  C      -5.104506     -0.643943      3.512350
  C      -5.602004     -0.193284      2.169708
  N      -6.320759      0.933030      2.135451
  C      -6.770478      1.357363      0.921424
  N      -6.569768      0.796835     -0.250199
  C      -5.825896     -0.350402     -0.250855
  C      -5.561838     -1.003224     -1.478382
  C      -4.809025     -2.158997     -1.495380
  C      -4.295985     -2.706457     -0.295282
  C      -4.541938     -2.092879      0.915786
  C      -5.310392     -0.901757      0.966262
  C      -3.785629      6.578294      5.687036
  C      -3.246805      7.422487      4.524118
  C      -3.453277      6.765893      3.160853
  C      -4.888467      6.679076      2.713513
  N      -5.804638      7.363457      3.387172
  C      -7.096877      7.278665      2.969135
  N      -7.574374      6.581530      1.958316
  C      -6.648888      5.879546      1.229105
  C      -7.086474      5.110345      0.120700
  C      -6.176778      4.385516     -0.621700
  C      -4.802363      4.399772     -0.286517
  C      -4.350114      5.142107      0.785784
  C      -5.258777      5.897462      1.568361
  C      -6.208807      2.800239      7.059220
  C      -6.753273      4.220656      7.260324
  C      -8.257138      4.272048      7.510485
  C      -9.164608      4.014721      6.333015
  N      -8.654048      3.927596      5.106316
  C      -9.516615      3.757283      4.060146
  N     -10.821613      3.649921      4.111110
  C     -11.380972      3.718451      5.358209
  C     -12.785047      3.603951      5.483923
  C     -13.373939      3.683337      6.729696
  C     -12.584228      3.880002      7.886301
  C     -11.211440      3.991659      7.790768
  C     -10.578067      3.910006      6.526507
  H      -2.984502      1.384435      2.485127
  H      -4.445114      1.705431      3.416674
  H      -3.530655     -0.345870      4.926923
  H      -2.921323     -0.855030      3.344127
  H      -5.189658     -1.735943      3.606721
  H      -5.773947     -0.195506      4.261105
  H      -7.363604      2.276924      0.936265
  H      -5.969216     -0.568871     -2.392007
  H      -4.607476     -2.662120     -2.442376
  H      -3.705195     -3.622761     -0.332592
  H      -4.147120     -2.521837      1.836888
  H      -4.846111      6.369437      5.507541
  H      -3.724258      7.168287      6.620933
  H      -2.172017      7.614434      4.670531
  H      -3.752631      8.398122      4.546104
  H      -2.895138      7.321613      2.386242
  H      -3.026161      5.750355      3.166008
  H      -7.819052      7.858608      3.552919
  H      -8.150717      5.118589     -0.119808
  H      -6.517471      3.784918     -1.466302
  H      -4.098437      3.816586     -0.882016
  H      -3.289598      5.146392      1.039722
  H      -6.508370      2.172567      7.919209
  H      -6.677903      2.348510      6.171533
  H      -6.248031      4.676875      8.125630
  H      -6.488210      4.832748      6.384950
  H      -8.522283      3.567553      8.317116
  H      -8.530203      5.266355      7.904510
  H      -9.054682      3.711323      3.068923
  H     -13.370441      3.457087      4.575664
  H     -14.456878      3.596718      6.827812
  H     -13.066499      3.943985      8.862751
  H     -10.618898      4.144824      8.692560
  N      -5.008679      3.942498      4.136991
  N      -6.298140      3.550441      3.643810
  H      -7.095019      3.702075      4.351640
  H      -6.314709      2.546039      3.313760
  H      -6.519726      4.127931      2.813509
100
Coordinates from ORCA-job orca E -6259.544110804430
  N      -2.721230      2.096061      4.479666
  Mo     -3.752448      3.538047      5.412779
  N      -4.747614      2.746601      6.915336
  C      -4.024605      2.406886      8.145333
  C      -2.580520      2.039218      7.811643
  N      -2.014014      3.042021      6.879661
  C      -0.911324      2.517049      6.040279
  C      -1.469527      1.566724      4.989708
  C      -1.630935      4.306153      7.555592
  C      -1.780750      5.447868      6.563880
  N      -3.076529      5.319003      5.895069
  H      -0.721264      1.454047      4.180950
  H      -1.604168      0.556245      5.421122
  H      -0.444451      3.379579      5.546815
  H      -0.139944      2.021279      6.656664
  H      -1.725343      6.404256      7.112511
  H      -0.950012      5.452552      5.836652
  H      -2.322093      4.464511      8.393563
  H      -0.604890      4.243754      7.960405
  H      -4.500012      1.547573      8.650830
  H      -4.051563      3.246490      8.867812
  H      -2.566143      1.069118      7.296702
  H      -1.963494      1.951401      8.722484
  C      -3.396318      1.288971      3.469612
  C      -3.652294     -0.186021      3.849150
  C      -5.115283     -0.591584      3.531768
  C      -5.611479     -0.147712      2.187185
  N      -6.306860      0.992702      2.144097
  C      -6.755776      1.412726      0.928283
  N      -6.574408      0.834864     -0.237965
  C      -5.854993     -0.327863     -0.230101
  C      -5.613038     -1.000452     -1.451480
  C      -4.885618     -2.172474     -1.459544
  C      -4.376666     -2.717005     -0.256354
  C      -4.601234     -2.084090      0.948844
  C      -5.343471     -0.876058      0.990172
  C      -3.790224      6.578203      5.683305
  C      -3.245063      7.422898      4.524373
  C      -3.442772      6.765450      3.160272
  C      -4.875695      6.678659      2.705732
  N      -5.795017      7.363462      3.374518
  C      -7.085169      7.279801      2.950065
  N      -7.557993      6.581787      1.937697
  C      -6.629302      5.878302      1.213874
  C      -7.061781      5.108456      0.104004
  C      -6.148885      4.383601     -0.634096
  C      -4.775741      4.398363     -0.293338
  C      -4.328209      5.140906      0.780673
  C      -5.240577      5.896124      1.559382
  C      -6.203735      2.782151      7.046298
  C      -6.754062      4.200167      7.249935
  C      -8.258897      4.247762      7.495972
  C      -9.167575      3.994977      6.317717
  N      -8.662398      3.923967      5.087348
  C      -9.529749      3.761008      4.043592
  N     -10.834007      3.647138      4.099427
  C     -11.387382      3.698845      5.349547
  C     -12.790202      3.576300      5.481013
  C     -13.373437      3.639445      6.730433
  C     -12.579053      3.827729      7.885138
  C     -11.207248      3.946948      7.784046
  C     -10.579733      3.881499      6.515892
  H      -2.900835      1.362908      2.482554
  H      -4.386601      1.733897      3.357303
  H      -3.531199     -0.309628      4.935213
  H      -2.939270     -0.866479      3.362400
  H      -5.227589     -1.679711      3.642194
  H      -5.768360     -0.116024      4.278357
  H      -7.329809      2.344322      0.936772
  H      -6.016748     -0.568188     -2.367704
  H      -4.701263     -2.690804     -2.401821
  H      -3.806055     -3.646243     -0.286751
  H      -4.209878     -2.510087      1.872779
  H      -4.848784      6.366292      5.496449
  H      -3.737021      7.169133      6.617261
  H      -2.171378      7.616143      4.677168
  H      -3.752172      8.397943      4.542774
  H      -2.881316      7.321778      2.388510
  H      -3.015281      5.750128      3.168420
  H      -7.809704      7.860952      3.529641
  H      -8.124969      5.116750     -0.141151
  H      -6.486349      3.783200     -1.480196
  H      -4.069016      3.815877     -0.886205
  H      -3.268569      5.146624      1.038246
  H      -6.504202      2.151625      7.903966
  H      -6.667132      2.331131      6.155397
  H      -6.253013      4.653930      8.119017
  H      -6.487153      4.816792      6.378314
  H      -8.522671      3.538814      8.299115
  H      -8.535113      5.239127      7.895115
  H      -9.072402      3.729434      3.050025
  H     -13.379297      3.436524      4.574018
  H     -14.455451      3.546551      6.832953
  H     -13.056740      3.879241      8.864573
  H     -10.611125      4.093578      8.684496
  N      -4.997189      3.935079      4.132358
  N      -6.286933      3.550752      3.633002
  H      -7.085664      3.698887      4.340085
  H      -6.302834      2.548472      3.293861
  H      -6.503740      4.135596      2.806607
100
Coordinates from ORCA-job orca E -6259.545116422852
  N      -2.688663      2.113046      4.470563
  Mo     -3.738343      3.538805      5.407953
  N      -4.738811      2.734466      6.899894
  C      -4.021915      2.393264      8.129207
  C      -2.575198      2.040206      7.802582
  N      -2.007753      3.051207      6.878667
  C      -0.895059      2.534015      6.048086
  C      -1.440844      1.587024      4.989816
  C      -1.637528      4.313020      7.564213
  C      -1.783130      5.460824      6.577084
  N      -3.071295      5.322675      5.896783
  H      -0.688120      1.473899      4.185002
  H      -1.580366      0.574878      5.418504
  H      -0.428684      3.402344      5.562727
  H      -0.127228      2.041119      6.670979
  H      -1.740137      6.417295      7.125916
  H      -0.943932      5.474278      5.858400
  H      -2.341552      4.460999      8.393484
  H      -0.617258      4.249508      7.983051
  H      -4.492641      1.525396      8.625287
  H      -4.060438      3.228655      8.857133
  H      -2.552265      1.072094      7.283981
  H      -1.964762      1.952864      8.718639
  C      -3.344207      1.303439      3.450557
  C      -3.633113     -0.162878      3.848361
  C      -5.107647     -0.546382      3.558196
  C      -5.618501     -0.109177      2.216910
  N      -6.304340      1.036479      2.175150
  C      -6.768082      1.454090      0.963693
  N      -6.609065      0.865914     -0.199869
  C      -5.900431     -0.304186     -0.193445
  C      -5.683201     -0.987133     -1.413667
  C      -4.968379     -2.167128     -1.424480
  C      -4.448273     -2.709315     -0.224950
  C      -4.648378     -2.066141      0.978622
  C      -5.376375     -0.849769      1.022642
  C      -3.790083      6.580833      5.684766
  C      -3.240457      7.426197      4.528932
  C      -3.428363      6.770980      3.162226
  C      -4.860033      6.673213      2.702063
  N      -5.785467      7.351597      3.368875
  C      -7.074280      7.256915      2.943970
  N      -7.540481      6.556488      1.930558
  C      -6.605126      5.860651      1.206548
  C      -7.030099      5.089650      0.095187
  C      -6.110475      4.371757     -0.641900
  C      -4.738449      4.395335     -0.297913
  C      -4.297570      5.139967      0.777822
  C      -5.216935      5.888103      1.554977
  C      -6.195698      2.758848      7.022180
  C      -6.761103      4.170871      7.225338
  C      -8.267876      4.209293      7.465069
  C      -9.181070      3.966715      6.289504
  N      -8.684924      3.905082      5.054747
  C      -9.563466      3.754925      4.018126
  N     -10.867338      3.645775      4.083506
  C     -11.411647      3.687621      5.337840
  C     -12.814084      3.570305      5.480420
  C     -13.386127      3.624678      6.734807
  C     -12.582036      3.798849      7.884997
  C     -11.210824      3.912847      7.773199
  C     -10.593064      3.856188      6.498335
  H      -2.813296      1.349107      2.478823
  H      -4.320416      1.766330      3.295341
  H      -3.503902     -0.276424      4.934867
  H      -2.937852     -0.863250      3.364807
  H      -5.237780     -1.631400      3.679424
  H      -5.740542     -0.053254      4.310808
  H      -7.333032      2.391288      0.974041
  H      -6.095897     -0.556155     -2.326528
  H      -4.802783     -2.693580     -2.365718
  H      -3.888445     -3.644875     -0.256837
  H      -4.247630     -2.491500      1.899040
  H      -4.846380      6.361357      5.492677
  H      -3.746850      7.174404      6.617198
  H      -2.168499      7.623273      4.686775
  H      -3.754039      8.398254      4.547396
  H      -2.866612      7.332721      2.395215
  H      -2.994860      5.758179      3.170278
  H      -7.803619      7.830739      3.524693
  H      -8.092863      5.090577     -0.152152
  H      -6.441792      3.770110     -1.489572
  H      -4.026736      3.818094     -0.889877
  H      -3.238734      5.151877      1.036122
  H      -6.499947      2.124683      7.875513
  H      -6.645304      2.302102      6.125628
  H      -6.263944      4.620291      8.098915
  H      -6.494536      4.796553      6.359667
  H      -8.530402      3.492038      8.260771
  H      -8.547086      5.196328      7.873605
  H      -9.114872      3.732419      3.019859
  H     -13.412604      3.441667      4.577891
  H     -14.468009      3.535695      6.844996
  H     -13.052046      3.843567      8.868294
  H     -10.605546      4.048598      8.669013
  N      -4.978661      3.928224      4.121850
  N      -6.267594      3.547036      3.618485
  H      -7.066206      3.690657      4.329246
  H      -6.279531      2.544741      3.270682
  H      -6.485205      4.136859      2.795969
100
Coordinates from ORCA-job orca E -6259.546187313794
  N      -2.678627      2.132363      4.454614
  Mo     -3.742129      3.541041      5.406788
  N      -4.738199      2.720334      6.892956
  C      -4.021061      2.369496      8.120069
  C      -2.571354      2.028686      7.791707
  N      -2.010012      3.051320      6.877526
  C      -0.891920      2.550566      6.043979
  C      -1.428882      1.610584      4.975108
  C      -1.652397      4.311244      7.573190
  C      -1.798560      5.463954      6.592484
  N      -3.081934      5.324786      5.903233
  H      -0.673383      1.509451      4.171345
  H      -1.562432      0.593735      5.394081
  H      -0.429825      3.426582      5.568971
  H      -0.122085      2.055988      6.663157
  H      -1.763113      6.416641      7.148530
  H      -0.955197      5.486135      5.879180
  H      -2.361787      4.449798      8.399540
  H      -0.633883      4.252775      7.997292
  H      -4.487462      1.493791      8.606216
  H      -4.065453      3.196642      8.856825
  H      -2.540932      1.065438      7.264562
  H      -1.961232      1.937093      8.707414
  C      -3.313444      1.323771      3.421160
  C      -3.637602     -0.131491      3.838196
  C      -5.120453     -0.490147      3.561090
  C      -5.627649     -0.072883      2.212610
  N      -6.296857      1.081230      2.147818
  C      -6.757864      1.480362      0.929002
  N      -6.608912      0.866558     -0.222554
  C      -5.916449     -0.312716     -0.193271
  C      -5.710764     -1.023467     -1.399489
  C      -5.013115     -2.213625     -1.386879
  C      -4.499284     -2.738786     -0.177106
  C      -4.688168     -2.068123      1.013273
  C      -5.398359     -0.840680      1.033053
  C      -3.801454      6.581827      5.687278
  C      -3.246109      7.429384      4.535756
  C      -3.424378      6.774246      3.167464
  C      -4.852636      6.674929      2.697063
  N      -5.784010      7.353188      3.355710
  C      -7.068906      7.259567      2.918432
  N      -7.525795      6.560646      1.899580
  C      -6.584055      5.864760      1.184289
  C      -6.998424      5.096650      0.066891
  C      -6.072139      4.379133     -0.662139
  C      -4.703880      4.399461     -0.303314
  C      -4.273435      5.141155      0.778603
  C      -5.199539      5.889853      1.546985
  C      -6.195292      2.740500      7.017725
  C      -6.760350      4.150402      7.238165
  C      -8.266438      4.186719      7.481234
  C      -9.179752      3.956726      6.303705
  N      -8.682117      3.909451      5.069277
  C      -9.558410      3.768738      4.029419
  N     -10.862081      3.656232      4.091939
  C     -11.408083      3.683394      5.346069
  C     -12.810397      3.561381      5.485195
  C     -13.384466      3.600689      6.739272
  C     -12.582342      3.763912      7.892484
  C     -11.211205      3.882064      7.784057
  C     -10.591610      3.840880      6.509715
  H      -2.749882      1.342079      2.467597
  H      -4.273602      1.805389      3.227553
  H      -3.506311     -0.230490      4.925852
  H      -2.960236     -0.855161      3.363692
  H      -5.270605     -1.569952      3.704888
  H      -5.741075      0.029869      4.305829
  H      -7.310299      2.424821      0.921651
  H      -6.118404     -0.605466     -2.320584
  H      -4.856522     -2.761513     -2.317360
  H      -3.953254     -3.682958     -0.190592
  H      -4.292624     -2.479851      1.942046
  H      -4.855993      6.360664      5.487982
  H      -3.765482      7.174119      6.620813
  H      -2.175390      7.627753      4.700400
  H      -3.760692      8.400870      4.551124
  H      -2.859054      7.337947      2.404383
  H      -2.988882      5.762370      3.177557
  H      -7.803347      7.834063      3.492081
  H      -8.058492      5.099945     -0.191675
  H      -6.395529      3.780566     -1.515069
  H      -3.986648      3.822768     -0.889141
  H      -3.217389      5.151013      1.048476
  H      -6.496878      2.097911      7.865783
  H      -6.646753      2.292588      6.117818
  H      -6.261811      4.590307      8.115805
  H      -6.495023      4.785335      6.378939
  H      -8.527762      3.460507      8.269355
  H      -8.545433      5.169201      7.900582
  H      -9.107809      3.756608      3.031834
  H     -13.407170      3.441325      4.580344
  H     -14.466212      3.508076      6.846888
  H     -13.053806      3.796830      8.875587
  H     -10.607669      4.009308      8.682357
  N      -4.980944      3.928416      4.121696
  N      -6.271413      3.558056      3.615192
  H      -7.069727      3.696189      4.325977
  H      -6.285315      2.558530      3.255351
  H      -6.485528      4.158341      2.799524
100
Coordinates from ORCA-job orca E -6259.545549815197
  N      -2.717178      2.176823      4.404399
  Mo     -3.756284      3.564325      5.397637
  N      -4.744218      2.728782      6.881366
  C      -4.017123      2.350865      8.088723
  C      -2.579053      2.003394      7.733147
  N      -2.016789      3.037475      6.830491
  C      -0.911072      2.537283      5.981203
  C      -1.467254      1.630268      4.898743
  C      -1.632524      4.274021      7.552662
  C      -1.776590      5.453792      6.604577
  N      -3.067328      5.335314      5.922779
  H      -0.728870      1.528641      4.080074
  H      -1.613458      0.608056      5.302283
  H      -0.444988      3.419490      5.520318
  H      -0.144925      2.026352      6.590929
  H      -1.727531      6.398902      7.169876
  H      -0.935680      5.479903      5.886775
  H      -2.340700      4.400820      8.383393
  H      -0.615458      4.179400      7.973410
  H      -4.480751      1.467949      8.565981
  H      -4.045584      3.164540      8.843061
  H      -2.568267      1.049089      7.189478
  H      -1.959510      1.891433      8.640895
  C      -3.364838      1.382138      3.366240
  C      -3.675823     -0.074006      3.780045
  C      -5.151163     -0.470329      3.528076
  C      -5.663895     -0.126158      2.157052
  N      -6.380636      0.992322      2.023503
  C      -6.850966      1.307298      0.782186
  N      -6.665605      0.639109     -0.332023
  C      -5.921735     -0.504754     -0.233057
  C      -5.675379     -1.267217     -1.399343
  C      -4.927667     -2.423953     -1.320277
  C      -4.404455     -2.863199     -0.080704
  C      -4.632579     -2.140531      1.071650
  C      -5.392264     -0.944945      1.022068
  C      -3.782167      6.604487      5.741608
  C      -3.235925      7.461524      4.589798
  C      -3.431553      6.829470      3.211937
  C      -4.861819      6.733646      2.740566
  N      -5.795356      7.404670      3.404268
  C      -7.078681      7.312914      2.960448
  N      -7.530955      6.634511      1.925531
  C      -6.585290      5.952456      1.201863
  C      -6.992585      5.209197      0.065935
  C      -6.061232      4.498894     -0.666334
  C      -4.699025      4.501958     -0.288412
  C      -4.276235      5.222961      0.811657
  C      -5.205084      5.966215      1.578740
  C      -6.199568      2.750432      7.029534
  C      -6.763774      4.152470      7.290005
  C      -8.264862      4.174353      7.554246
  C      -9.164531      3.966144      6.370978
  N      -8.631940      3.925868      5.154821
  C      -9.475324      3.794691      4.088596
  N     -10.779749      3.686147      4.114116
  C     -11.365145      3.706821      5.353928
  C     -12.771803      3.589202      5.450229
  C     -13.381024      3.619439      6.686764
  C     -12.613274      3.767587      7.866056
  C     -11.239858      3.881396      7.799279
  C     -10.581992      3.851489      6.542585
  H      -2.789059      1.392854      2.419630
  H      -4.311719      1.877345      3.152006
  H      -3.517017     -0.174942      4.864087
  H      -2.994861     -0.783602      3.289241
  H      -5.269864     -1.550452      3.697872
  H      -5.784071      0.049470      4.261947
  H      -7.441047      2.226213      0.718780
  H      -6.093014     -0.913756     -2.342666
  H      -4.738459     -3.012079     -2.219577
  H      -3.819500     -3.782987     -0.039520
  H      -4.227111     -2.490898      2.021168
  H      -4.840671      6.389188      5.555862
  H      -3.733240      7.185940      6.679938
  H      -2.162047      7.648123      4.743910
  H      -3.745984      8.435213      4.627521
  H      -2.864720      7.401145      2.456395
  H      -2.998834      5.816088      3.203561
  H      -7.816599      7.874504      3.542814
  H      -8.049485      5.222325     -0.204986
  H      -6.375811      3.918320     -1.534718
  H      -3.978488      3.929128     -0.873879
  H      -3.224661      5.215937      1.095836
  H      -6.491710      2.089170      7.865853
  H      -6.661701      2.314373      6.126857
  H      -6.247760      4.572293      8.167259
  H      -6.515507      4.809437      6.441946
  H      -8.527315      3.428875      8.324208
  H      -8.540405      5.148863      7.994805
  H      -8.994074      3.784953      3.101847
  H     -13.344456      3.479313      4.528696
  H     -14.465986      3.530025      6.760303
  H     -13.114954      3.791847      8.834224
  H     -10.659998      3.996522      8.714965
  N      -5.009946      3.985512      4.131072
  N      -6.310283      3.641330      3.646314
  H      -7.090949      3.772728      4.370896
  H      -6.342890      2.641396      3.267651
  H      -6.535954      4.259361      2.848585
100
Coordinates from ORCA-job orca E -6259.548094707823
  N      -2.665225      2.180520      4.411812
  Mo     -3.740896      3.554263      5.395894
  N      -4.733259      2.704714      6.868529
  C      -4.014366      2.335134      8.087175
  C      -2.563951      2.010666      7.751371
  N      -2.008926      3.052597      6.854439
  C      -0.885792      2.569249      6.017558
  C      -1.417163      1.650143      4.930086
  C      -1.656516      4.299070      7.576521
  C      -1.804006      5.470598      6.618971
  N      -3.083126      5.334586      5.919900
  H      -0.663018      1.557347      4.124715
  H      -1.555241      0.626994      5.333498
  H      -0.425499      3.456098      5.560721
  H      -0.118536      2.068128      6.634266
  H      -1.776171      6.415923      7.186804
  H      -0.955075      5.508288      5.911985
  H      -2.375265      4.419345      8.398295
  H      -0.642627      4.228605      8.009519
  H      -4.471990      1.445594      8.556868
  H      -4.065148      3.146901      8.841090
  H      -2.528713      1.056625      7.208117
  H      -1.953275      1.908609      8.665846
  C      -3.282631      1.376827      3.363261
  C      -3.637026     -0.066119      3.799525
  C      -5.129757     -0.405812      3.566058
  C      -5.649222     -0.045878      2.205274
  N      -6.315055      1.105227      2.091600
  C      -6.791059      1.448375      0.860938
  N      -6.656693      0.779068     -0.260608
  C      -5.965792     -0.399187     -0.182221
  C      -5.775359     -1.165851     -1.356271
  C      -5.081717     -2.356898     -1.295735
  C      -4.558285     -2.827570     -0.067833
  C      -4.731909     -2.101258      1.091913
  C      -5.435666     -0.870650      1.061537
  C      -3.807644      6.593249      5.719406
  C      -3.253953      7.452822      4.574860
  C      -3.422280      6.811012      3.198820
  C      -4.845966      6.702470      2.715508
  N      -5.789219      7.368409      3.370358
  C      -7.068562      7.268447      2.917638
  N      -7.508124      6.583179      1.881851
  C      -6.552557      5.904726      1.167438
  C      -6.946783      5.155339      0.030678
  C      -6.006549      4.450207     -0.693607
  C      -4.645931      4.463684     -0.308229
  C      -4.235013      5.189523      0.792382
  C      -5.174405      5.928273      1.553089
  C      -6.190549      2.711722      6.997853
  C      -6.763742      4.111728      7.254359
  C      -8.267922      4.133042      7.506324
  C      -9.177893      3.932156      6.323611
  N      -8.669175      3.904043      5.094354
  C      -9.535980      3.783490      4.044227
  N     -10.840066      3.674288      4.094023
  C     -11.398272      3.682142      5.344248
  C     -12.802300      3.563112      5.468403
  C     -13.386749      3.581462      6.717791
  C     -12.594620      3.719192      7.881579
  C     -11.222546      3.834194      7.787382
  C     -10.591562      3.815732      6.517715
  H      -2.674189      1.360484      2.437986
  H      -4.215397      1.886347      3.109829
  H      -3.477924     -0.157435      4.884287
  H      -2.984639     -0.807051      3.316499
  H      -5.293704     -1.477046      3.753504
  H      -5.730110      0.151632      4.300133
  H      -7.339462      2.393896      0.814391
  H      -6.191709     -0.788601     -2.290954
  H      -4.936166     -2.948037     -2.201208
  H      -4.016788     -3.774124     -0.042071
  H      -4.327830     -2.473520      2.033561
  H      -4.860974      6.367736      5.517781
  H      -3.776774      7.177774      6.657435
  H      -2.184651      7.653589      4.744368
  H      -3.774642      8.421160      4.598827
  H      -2.854706      7.386195      2.446204
  H      -2.978681      5.802413      3.200836
  H      -7.814485      7.826560      3.492839
  H      -8.002098      5.160978     -0.246624
  H      -6.313075      3.865834     -1.562387
  H      -3.918047      3.894697     -0.888435
  H      -3.184540      5.191613      1.082706
  H      -6.486879      2.047944      7.831130
  H      -6.639899      2.277073      6.089704
  H      -6.259584      4.531087      8.138885
  H      -6.507717      4.770793      6.410603
  H      -8.527280      3.384028      8.273788
  H      -8.547278      5.103794      7.952253
  H      -9.076589      3.785921      3.049560
  H     -13.392650      3.461885      4.557088
  H     -14.469816      3.491031      6.813455
  H     -13.075473      3.734576      8.860524
  H     -10.624803      3.941249      8.692401
  N      -4.982981      3.951754      4.115438
  N      -6.277929      3.599287      3.613519
  H      -7.067582      3.720811      4.332726
  H      -6.299289      2.605360      3.226649
  H      -6.498388      4.221104      2.816348
100
Coordinates from ORCA-job orca E -6259.549196937975
  N      -2.637033      2.203061      4.402027
  Mo     -3.737167      3.555090      5.392542
  N      -4.726086      2.686820      6.856830
  C      -4.008643      2.315244      8.077218
  C      -2.552106      2.010126      7.746992
  N      -2.006924      3.064248      6.858829
  C      -0.873353      2.600530      6.024885
  C      -1.388232      1.681193      4.929428
  C      -1.674311      4.311843      7.588787
  C      -1.828138      5.485654      6.635178
  N      -3.100372      5.341025      5.925645
  H      -0.627055      1.600892      4.129597
  H      -1.518373      0.654540      5.326515
  H      -0.420738      3.494838      5.575324
  H      -0.103602      2.104215      6.642403
  H      -1.814866      6.427073      7.210432
  H      -0.974793      5.537260      5.934519
  H      -2.398977      4.421398      8.406806
  H      -0.662224      4.252609      8.027438
  H      -4.458883      1.417320      8.537674
  H      -4.073042      3.120031      8.837047
  H      -2.501780      1.060085      7.197876
  H      -1.943723      1.910028      8.663028
  C      -3.232416      1.395924      3.342978
  C      -3.620608     -0.035343      3.792957
  C      -5.125084     -0.341442      3.590169
  C      -5.662586      0.011243      2.235444
  N      -6.306129      1.174683      2.120166
  C      -6.797496      1.514785      0.894746
  N      -6.698550      0.829927     -0.221041
  C      -6.032315     -0.362444     -0.141599
  C      -5.881551     -1.147107     -1.309430
  C      -5.214090     -2.352943     -1.247041
  C      -4.678127     -2.820940     -0.023540
  C      -4.812762     -2.076983      1.130319
  C      -5.489066     -0.831087      1.097689
  C      -3.829544      6.594311      5.714828
  C      -3.265498      7.456745      4.577770
  C      -3.410370      6.809676      3.202029
  C      -4.825851      6.696750      2.698520
  N      -5.779801      7.364355      3.336205
  C      -7.051411      7.263907      2.862221
  N      -7.473575      6.576268      1.820632
  C      -6.506738      5.893491      1.125739
  C      -6.882159      5.140443     -0.015020
  C      -5.930837      4.430629     -0.719643
  C      -4.576970      4.443125     -0.310776
  C      -4.184152      5.172953      0.793525
  C      -5.135445      5.916520      1.534922
  C      -6.183816      2.682303      6.982415
  C      -6.762682      4.076750      7.255035
  C      -8.267167      4.089110      7.505189
  C      -9.175435      3.902693      6.317441
  N      -8.667231      3.901352      5.087245
  C      -9.534822      3.799757      4.035689
  N     -10.838743      3.683699      4.084170
  C     -11.395182      3.662336      5.334718
  C     -12.798434      3.533922      5.457544
  C     -13.381995      3.524479      6.707789
  C     -12.589147      3.643291      7.873045
  C     -11.217604      3.767049      7.779877
  C     -10.588176      3.776211      6.509846
  H      -2.595435      1.359426      2.438232
  H      -4.148854      1.918225      3.055145
  H      -3.446148     -0.122106      4.875559
  H      -2.995063     -0.796722      3.306092
  H      -5.310874     -1.405366      3.798326
  H      -5.697982      0.241107      4.326954
  H      -7.326097      2.471564      0.848032
  H      -6.306937     -0.771783     -2.240797
  H      -5.099321     -2.957992     -2.147731
  H      -4.157909     -3.779313      0.003524
  H      -4.399435     -2.446411      2.069045
  H      -4.879068      6.364004      5.499080
  H      -3.812897      7.178383      6.653708
  H      -2.199786      7.663929      4.762372
  H      -3.790870      8.422618      4.591543
  H      -2.834257      7.384327      2.455342
  H      -2.962903      5.802860      3.214004
  H      -7.806917      7.823596      3.423132
  H      -7.932468      5.146685     -0.310700
  H      -6.223562      3.843384     -1.591285
  H      -3.840059      3.870352     -0.875691
  H      -3.138920      5.174577      1.102598
  H      -6.477042      2.006952      7.807516
  H      -6.630279      2.257604      6.068758
  H      -6.262939      4.487852      8.145906
  H      -6.507319      4.746145      6.419458
  H      -8.524085      3.328847      8.262225
  H      -8.551036      5.052252      7.964444
  H      -9.077875      3.827922      3.040970
  H     -13.388695      3.448257      4.544596
  H     -14.464475      3.426980      6.802860
  H     -13.068784      3.637094      8.852735
  H     -10.619826      3.859321      8.686484
  N      -4.976484      3.941764      4.106990
  N      -6.270071      3.589810      3.600109
  H      -7.059625      3.702561      4.318551
  H      -6.287987      2.597912      3.200499
  H      -6.490775      4.218569      2.808684
100
Coordinates from ORCA-job orca E -6259.550322038279
  N      -2.620239      2.235670      4.380838
  Mo     -3.737203      3.563942      5.386471
  N      -4.722690      2.674573      6.840837
  C      -4.005202      2.291950      8.058025
  C      -2.545196      2.003330      7.728251
  N      -2.007431      3.071628      6.852770
  C      -0.867321      2.626737      6.018000
  C      -1.371515      1.715477      4.911557
  C      -1.687257      4.314927      7.595929
  C      -1.845861      5.497003      6.653042
  N      -3.113347      5.350000      5.936322
  H      -0.606283      1.647037      4.114607
  H      -1.497724      0.684198      5.298163
  H      -0.419957      3.529140      5.579462
  H      -0.095983      2.129580      6.632896
  H      -1.842316      6.432829      7.237598
  H      -0.989546      5.562182      5.956905
  H      -2.415642      4.412043      8.412322
  H      -0.676576      4.258890      8.038117
  H      -4.449462      1.384289      8.505052
  H      -4.078516      3.085660      8.828570
  H      -2.485169      1.059779      7.168899
  H      -1.937760      1.898587      8.644419
  C      -3.198719      1.428341      3.312088
  C      -3.614249      0.005902      3.769598
  C      -5.126704     -0.276483      3.599027
  C      -5.681481      0.053490      2.246073
  N      -6.316159      1.219473      2.116298
  C      -6.820690      1.542660      0.891728
  N      -6.743669      0.835599     -0.211595
  C      -6.088857     -0.362313     -0.117829
  C      -5.963305     -1.171072     -1.272031
  C      -5.308327     -2.382962     -1.195336
  C      -4.760250     -2.833094      0.029440
  C      -4.869901     -2.065313      1.170307
  C      -5.533012     -0.812818      1.122715
  C      -3.847636      6.599529      5.723672
  C      -3.277508      7.467033      4.593557
  C      -3.399826      6.816972      3.217080
  C      -4.806398      6.694235      2.692088
  N      -5.774449      7.358282      3.312144
  C      -7.036984      7.251270      2.815671
  N      -7.437201      6.562051      1.766355
  C      -6.455223      5.881972      1.090123
  C      -6.806683      5.126604     -0.056734
  C      -5.840322      4.417286     -0.741131
  C      -4.494880      4.432573     -0.305457
  C      -4.125188      5.165635      0.804620
  C      -5.092173      5.909355      1.525416
  C      -6.180602      2.660364      6.965776
  C      -6.765303      4.047825      7.260160
  C      -8.269594      4.050635      7.512609
  C      -9.178862      3.881659      6.322359
  N      -8.672213      3.903609      5.091713
  C      -9.540944      3.818102      4.039778
  N     -10.844669      3.697327      4.087832
  C     -11.399215      3.652268      5.338606
  C     -12.801957      3.517737      5.461181
  C     -13.383610      3.484850      6.712023
  C     -12.589322      3.585491      7.877962
  C     -11.218216      3.714776      7.784940
  C     -10.590895      3.747833      6.514395
  H      -2.534595      1.373427      2.428224
  H      -4.097040      1.964203      2.990004
  H      -3.420180     -0.082169      4.848730
  H      -3.013324     -0.769445      3.273723
  H      -5.325573     -1.332869      3.832466
  H      -5.676833      0.329818      4.334102
  H      -7.340089      2.503857      0.834900
  H      -6.397756     -0.808957     -2.204449
  H      -5.213006     -3.006681     -2.085502
  H      -4.250405     -3.796615      0.068043
  H      -4.447102     -2.421204      2.110009
  H      -4.893939      6.364002      5.497828
  H      -3.842181      7.181243      6.664211
  H      -2.215469      7.681532      4.790801
  H      -3.809325      8.429401      4.600730
  H      -2.816458      7.393620      2.477554
  H      -2.945911      5.813180      3.237440
  H      -7.805194      7.806929      3.363124
  H      -7.850946      5.130142     -0.373165
  H      -6.114727      3.828863     -1.618036
  H      -3.745953      3.859707     -0.854262
  H      -3.086576      5.168560      1.134964
  H      -6.470362      1.971009      7.780454
  H      -6.625289      2.247431      6.046021
  H      -6.266123      4.447055      8.156721
  H      -6.513437      4.730914      6.434806
  H      -8.523009      3.276791      8.256904
  H      -8.556148      5.004517      7.989163
  H      -9.085665      3.864533      3.044965
  H     -13.393406      3.446478      4.547761
  H     -14.465708      3.382779      6.806986
  H     -13.067520      3.560789      8.858070
  H     -10.619125      3.792877      8.692017
  N      -4.976568      3.950996      4.101481
  N      -6.272348      3.608319      3.597204
  H      -7.057182      3.712147      4.320337
  H      -6.292997      2.619377      3.180834
  H      -6.496184      4.248020      2.815618
100
Coordinates from ORCA-job orca E -6259.551517238930
  N      -2.613065      2.284040      4.349942
  Mo     -3.741228      3.583161      5.377958
  N      -4.718001      2.666876      6.822272
  C      -3.995503      2.265218      8.030485
  C      -2.533816      1.994531      7.693614
  N      -2.007812      3.081929      6.834577
  C      -0.864199      2.661098      5.993665
  C      -1.361772      1.762412      4.875323
  C      -1.696459      4.316850      7.596469
  C      -1.866353      5.513463      6.672746
  N      -3.131931      5.368021      5.953711
  H      -0.595884      1.711299      4.077899
  H      -1.481389      0.724780      5.246967
  H      -0.424968      3.573272      5.567134
  H      -0.088630      2.161384      6.601127
  H      -1.871298      6.439190      7.273447
  H      -1.010613      5.598414      5.977561
  H      -2.423451      4.397365      8.416083
  H      -0.684671      4.261407      8.035774
  H      -4.432639      1.345739      8.460136
  H      -4.074534      3.042619      8.816893
  H      -2.466781      1.061064      7.118111
  H      -1.922657      1.879982      8.606122
  C      -3.183057      1.476907      3.274571
  C      -3.614963      0.059160      3.730284
  C      -5.132980     -0.210376      3.604305
  C      -5.718582      0.085105      2.256599
  N      -6.359106      1.245103      2.110250
  C      -6.889164      1.540462      0.889607
  N      -6.834609      0.806551     -0.196908
  C      -6.178498     -0.389634     -0.086695
  C      -6.079905     -1.227319     -1.222574
  C      -5.425017     -2.438188     -1.129907
  C      -4.850442     -2.858304      0.093227
  C      -4.932929     -2.061845      1.216714
  C      -5.595300     -0.809692      1.152306
  C      -3.873751      6.612443      5.745249
  C      -3.296430      7.490263      4.626344
  C      -3.386858      6.837972      3.248766
  C      -4.778998      6.701070      2.691457
  N      -5.767971      7.359682      3.284010
  C      -7.015461      7.242783      2.752614
  N      -7.381352      6.551575      1.691785
  C      -6.376932      5.874786      1.045548
  C      -6.691100      5.114605     -0.109091
  C      -5.702663      4.403693     -0.759445
  C      -4.371665      4.422632     -0.281497
  C      -4.038181      5.162629      0.835249
  C      -5.028148      5.908547      1.521453
  C      -6.175224      2.642847      6.951793
  C      -6.766681      4.019275      7.278251
  C      -8.270678      4.004988      7.533055
  C      -9.175940      3.858672      6.335479
  N      -8.664492      3.914545      5.107915
  C      -9.528163      3.851049      4.051046
  N     -10.832013      3.721637      4.090424
  C     -11.390867      3.641151      5.337705
  C     -12.793370      3.495399      5.451304
  C     -13.379540      3.427715      6.698859
  C     -12.590122      3.503579      7.869839
  C     -11.219297      3.643193      7.785524
  C     -10.587666      3.711673      6.518794
  H      -2.494047      1.417050      2.410437
  H      -4.068317      2.018992      2.926148
  H      -3.389559     -0.039536      4.802355
  H      -3.038985     -0.721417      3.212951
  H      -5.331672     -1.259636      3.868726
  H      -5.658867      0.416577      4.339930
  H      -7.409184      2.500597      0.821863
  H      -6.534807     -0.887635     -2.153704
  H      -5.350572     -3.084430     -2.005892
  H      -4.341456     -3.821624      0.144891
  H      -4.489457     -2.395609      2.154974
  H      -4.915875      6.371084      5.505940
  H      -3.881885      7.187361      6.690136
  H      -2.239718      7.714225      4.841538
  H      -3.836199      8.448087      4.626312
  H      -2.792499      7.416959      2.519795
  H      -2.923651      5.838682      3.281107
  H      -7.802992      7.792224      3.278364
  H      -7.724931      5.114093     -0.458165
  H      -5.948511      3.811411     -1.642314
  H      -3.605045      3.847428     -0.802745
  H      -3.011545      5.166493      1.200052
  H      -6.457380      1.931814      7.750283
  H      -6.621994      2.250336      6.024261
  H      -6.269154      4.403459      8.182203
  H      -6.520639      4.720434      6.466610
  H      -8.519835      3.212198      8.258331
  H      -8.563396      4.944585      8.033567
  H      -9.069922      3.925291      3.059019
  H     -13.380822      3.443962      4.533982
  H     -14.461442      3.317283      6.787160
  H     -13.071869      3.451457      8.847141
  H     -10.624139      3.702035      8.696589
  N      -4.985507      3.979085      4.097473
  N      -6.284999      3.651765      3.602194
  H      -7.058754      3.747967      4.334218
  H      -6.315329      2.664355      3.166535
  H      -6.516315      4.302863      2.832565
100
Coordinates from ORCA-job orca E -6259.552528438788
  N      -2.594519      2.320808      4.325868
  Mo     -3.740536      3.592701      5.368526
  N      -4.713362      2.652873      6.800905
  C      -3.990918      2.241136      8.004850
  C      -2.526122      1.990963      7.669600
  N      -2.009226      3.094004      6.824935
  C      -0.857904      2.693829      5.984352
  C      -1.342617      1.803119      4.854018
  C      -1.712626      4.322746      7.602145
  C      -1.889712      5.528778      6.691503
  N      -3.149268      5.378003      5.964419
  H      -0.572544      1.764871      4.059861
  H      -1.457415      0.760848      5.214346
  H      -0.426568      3.615173      5.569424
  H      -0.079663      2.195563      6.589590
  H      -1.908069      6.447556      7.302646
  H      -1.030467      5.631737      6.002722
  H      -2.443653      4.387311      8.419599
  H      -0.702326      4.270729      8.045249
  H      -4.420100      1.310761      8.419019
  H      -4.081066      3.006013      8.802538
  H      -2.447528      1.065231      7.083194
  H      -1.916570      1.872204      8.582644
  C      -3.149090      1.512086      3.243071
  C      -3.599463      0.100971      3.700618
  C      -5.124588     -0.136425      3.616070
  C      -5.734170      0.140207      2.275296
  N      -6.362002      1.305555      2.117492
  C      -6.913729      1.584474      0.902347
  N      -6.891088      0.828090     -0.169367
  C      -6.249738     -0.375036     -0.047599
  C      -6.186865     -1.236597     -1.167992
  C      -5.548223     -2.455242     -1.064006
  C      -4.955492     -2.859563      0.155717
  C      -5.002843     -2.039516      1.264122
  C      -5.647029     -0.778686      1.187529
  C      -3.895849      6.618849      5.751508
  C      -3.311217      7.502135      4.640242
  C      -3.371990      6.848085      3.261905
  C      -4.752561      6.695484      2.679995
  N      -5.758270      7.346710      3.252375
  C      -6.994488      7.216844      2.698255
  N      -7.333733      6.521499      1.631153
  C      -6.311192      5.851512      1.005685
  C      -6.596777      5.085430     -0.152208
  C      -5.591305      4.376768     -0.778170
  C      -4.271107      4.404011     -0.271484
  C      -3.965023      5.151316      0.848266
  C      -4.972847      5.895932      1.508958
  C      -6.170154      2.616207      6.928913
  C      -6.770683      3.981782      7.283672
  C      -8.274497      3.954099      7.539174
  C      -9.180354      3.831473      6.339964
  N      -8.669469      3.915003      5.113825
  C      -9.533759      3.871756      4.056631
  N     -10.837355      3.738427      4.093784
  C     -11.395454      3.629291      5.339119
  C     -12.797534      3.477637      5.450548
  C     -13.382617      3.381342      6.696604
  C     -12.592840      3.433312      7.868616
  C     -11.222445      3.577934      7.786593
  C     -10.591619      3.675978      6.521012
  H      -2.437336      1.441279      2.398431
  H      -4.019631      2.061316      2.866803
  H      -3.346917     -0.010538      4.765620
  H      -3.053534     -0.687948      3.163803
  H      -5.338017     -1.175750      3.907518
  H      -5.619612      0.516306      4.350707
  H      -7.420459      2.551010      0.825784
  H      -6.655795     -0.908502     -2.096311
  H      -5.501225     -3.119982     -1.927956
  H      -4.460408     -3.829559      0.217000
  H      -4.545493     -2.361937      2.199737
  H      -4.933794      6.371114      5.500979
  H      -3.917314      7.192862      6.696826
  H      -2.260409      7.737543      4.871404
  H      -3.861391      8.454066      4.631739
  H      -2.770505      7.431597      2.542485
  H      -2.899015      5.853625      3.303683
  H      -7.797077      7.758635      3.209029
  H      -7.622992      5.077410     -0.523045
  H      -5.815613      3.779594     -1.663398
  H      -3.490793      3.829573     -0.772921
  H      -2.947060      5.159839      1.236359
  H      -6.448939      1.887053      7.712148
  H      -6.612931      2.239045      5.992839
  H      -6.274076      4.349051      8.195199
  H      -6.529523      4.701998      6.487156
  H      -8.518989      3.143873      8.246464
  H      -8.571336      4.880754      8.061002
  H      -9.076305      3.968368      3.065989
  H     -13.385696      3.444857      4.532816
  H     -14.464196      3.266440      6.782991
  H     -13.074075      3.358638      8.844688
  H     -10.626718      3.618263      8.698223
  N      -4.986238      3.987715      4.089048
  N      -6.287784      3.666456      3.598747
  H      -7.057350      3.756134      4.335569
  H      -6.320536      2.680286      3.152786
  H      -6.525723      4.324125      2.836930
100
Coordinates from ORCA-job orca E -6259.553514784714
  N      -2.585009      2.349747      4.302744
  Mo     -3.741200      3.601017      5.358345
  N      -4.713589      2.644092      6.779831
  C      -3.992542      2.217503      7.978355
  C      -2.526078      1.981407      7.643062
  N      -2.013980      3.098100      6.813472
  C      -0.856768      2.716479      5.972522
  C      -1.331273      1.835877      4.830160
  C      -1.727934      4.319171      7.605652
  C      -1.907923      5.534554      6.708211
  N      -3.162164      5.384138      5.974158
  H      -0.558049      1.811705      4.038343
  H      -1.440365      0.788633      5.177494
  H      -0.431588      3.646037      5.569850
  H      -0.076131      2.217191      6.573837
  H      -1.935600      6.445924      7.330304
  H      -1.045335      5.652070      6.025801
  H      -2.461294      4.370422      8.421906
  H      -0.718518      4.268203      8.051144
  H      -4.418172      1.278242      8.376026
  H      -4.089342      2.969297      8.788014
  H      -2.440459      1.064069      7.044615
  H      -1.917860      1.854475      8.555852
  C      -3.125741      1.537902      3.215099
  C      -3.590875      0.131944      3.671460
  C      -5.120667     -0.077912      3.626171
  C      -5.751641      0.176062      2.290584
  N      -6.378453      1.340060      2.118182
  C      -6.947375      1.598016      0.906052
  N      -6.941790      0.821137     -0.150723
  C      -6.303056     -0.381669     -0.014387
  C      -6.259528     -1.264509     -1.118988
  C      -5.624186     -2.483544     -1.001073
  C      -5.016044     -2.867005      0.217709
  C      -5.044333     -2.025825      1.310755
  C      -5.684148     -0.763895      1.219523
  C      -3.905054      6.626160      5.755124
  C      -3.309418      7.510918      4.649625
  C      -3.350824      6.858660      3.269825
  C      -4.723837      6.702967      2.670778
  N      -5.736841      7.353033      3.231651
  C      -6.967078      7.218372      2.665829
  N      -7.293689      6.518088      1.597871
  C      -6.263081      5.848371      0.984577
  C      -6.536442      5.073770     -0.169990
  C      -5.524367      4.361803     -0.781076
  C      -4.209025      4.395315     -0.262148
  C      -3.914820      5.151384      0.855027
  C      -4.930121      5.898625      1.500444
  C      -6.169758      2.602829      6.908100
  C      -6.775290      3.958508      7.291757
  C      -8.278967      3.918258      7.546739
  C      -9.183874      3.816636      6.345847
  N      -8.671744      3.926767      5.122539
  C      -9.533698      3.897626      4.063232
  N     -10.836686      3.757067      4.095502
  C     -11.396368      3.621626      5.337451
  C     -12.797853      3.460338      5.443882
  C     -13.384246      3.336496      6.686640
  C     -12.596733      3.369315      7.860896
  C     -11.226997      3.522555      7.784132
  C     -10.594537      3.649314      6.521579
  H      -2.389896      1.457607      2.392429
  H      -3.981651      2.091061      2.811124
  H      -3.308960      0.002059      4.727338
  H      -3.075627     -0.661269      3.111310
  H      -5.342539     -1.108138      3.943028
  H      -5.590229      0.595774      4.358297
  H      -7.452274      2.564550      0.818929
  H      -6.740414     -0.951980     -2.046515
  H      -5.592037     -3.164700     -1.852806
  H      -4.524139     -3.837808      0.290694
  H      -4.575244     -2.333035      2.245662
  H      -4.940960      6.378986      5.496045
  H      -3.934158      7.200587      6.700063
  H      -2.262360      7.749815      4.893719
  H      -3.862733      8.460966      4.635133
  H      -2.741311      7.443008      2.557940
  H      -2.876114      5.865139      3.317419
  H      -7.776649      7.757640      3.168239
  H      -7.559162      5.060700     -0.550220
  H      -5.740133      3.758073     -1.663877
  H      -3.422875      3.818572     -0.751702
  H      -2.900972      5.163112      1.254012
  H      -6.447321      1.856042      7.675124
  H      -6.611638      2.245572      5.963838
  H      -6.279900      4.308598      8.210671
  H      -6.537382      4.696675      6.510509
  H      -8.519416      3.091503      8.236131
  H      -8.580175      4.831963      8.088567
  H      -9.074101      4.012673      3.075163
  H     -13.384529      3.442227      4.524765
  H     -14.465328      3.214072      6.768825
  H     -13.079279      3.272813      8.834386
  H     -10.632980      3.547927      8.697442
  N      -4.986196      4.000158      4.079528
  N      -6.292523      3.696491      3.597089
  H      -7.057312      3.782231      4.339668
  H      -6.334450      2.713275      3.138026
  H      -6.533716      4.363851      2.845173
100
Coordinates from ORCA-job orca E -6259.554444296391
  N      -2.576778      2.377049      4.281502
  Mo     -3.744791      3.605229      5.350624
  N      -4.713514      2.629205      6.760958
  C      -3.992699      2.189050      7.954762
  C      -2.523432      1.970113      7.619464
  N      -2.019623      3.101748      6.805311
  C      -0.856709      2.742411      5.962815
  C      -1.319264      1.870590      4.808641
  C      -1.749067      4.316634      7.612002
  C      -1.935852      5.540535      6.727561
  N      -3.184028      5.387772      5.983961
  H      -0.542762      1.863441      4.019740
  H      -1.418158      0.818235      5.143140
  H      -0.440916      3.681156      5.572098
  H      -0.071611      2.244416      6.559274
  H      -1.976326      6.443235      7.361883
  H      -1.069811      5.675563      6.052828
  H      -2.485285      4.352089      8.426448
  H      -0.740566      4.271696      8.060528
  H      -4.412541      1.240591      8.336327
  H      -4.097553      2.927197      8.775921
  H      -2.428099      1.061756      7.008838
  H      -1.915938      1.836253      8.531744
  C      -3.102855      1.562246      3.187850
  C      -3.580793      0.159659      3.639227
  C      -5.114354     -0.024358      3.631343
  C      -5.766167      0.210006      2.301877
  N      -6.396455      1.370503      2.119241
  C      -6.983353      1.608809      0.911568
  N      -6.991885      0.815301     -0.132733
  C      -6.351784     -0.385314      0.014239
  C      -6.324992     -1.286430     -1.076178
  C      -5.690771     -2.504799     -0.946848
  C      -5.067625     -2.869713      0.270057
  C      -5.079147     -2.010281      1.349132
  C      -5.716262     -0.747887      1.245604
  C      -3.924618      6.629603      5.756296
  C      -3.318303      7.517531      4.658955
  C      -3.336791      6.866735      3.277999
  C      -4.700856      6.705502      2.659721
  N      -5.722673      7.356178      3.203861
  C      -6.945263      7.215442      2.623101
  N      -7.256384      6.506839      1.555803
  C      -6.215819      5.837217      0.959078
  C      -6.472696      5.053949     -0.193007
  C      -5.451000      4.341572     -0.787482
  C      -4.141794      4.384279     -0.253819
  C      -3.863690      5.148828      0.861693
  C      -4.889515      5.895618      1.490522
  C      -6.169267      2.584479      6.889501
  C      -6.775492      3.931668      7.302269
  C      -8.278795      3.881985      7.557123
  C      -9.183963      3.802261      6.355083
  N      -8.672044      3.935973      5.133922
  C      -9.533233      3.924133      4.073611
  N     -10.836038      3.781721      4.103029
  C     -11.395735      3.623319      5.342254
  C     -12.797107      3.458936      5.445522
  C     -13.383709      3.311382      6.685537
  C     -12.596419      3.322947      7.860417
  C     -11.226840      3.478832      7.786850
  C     -10.594234      3.629741      6.527101
  H      -2.345065      1.475138      2.386320
  H      -3.946593      2.116947      2.759464
  H      -3.269132      0.007702      4.683642
  H      -3.096960     -0.634057      3.052290
  H      -5.344160     -1.045599      3.971482
  H      -5.560267      0.668116      4.360382
  H      -7.491406      2.572970      0.817531
  H      -6.818190     -0.988497     -2.002031
  H      -5.671823     -3.200008     -1.787576
  H      -4.577649     -3.840704      0.352810
  H      -4.599524     -2.303671      2.283053
  H      -4.957449      6.381655      5.485795
  H      -3.964186      7.203535      6.701147
  H      -2.276409      7.762972      4.918120
  H      -3.877244      8.464135      4.637225
  H      -2.719790      7.453888      2.574936
  H      -2.858163      5.875196      3.331407
  H      -7.762607      7.755885      3.111422
  H      -7.490874      5.034361     -0.585034
  H      -5.654737      3.731437     -1.668714
  H      -3.347498      3.807984     -0.730579
  H      -2.854624      5.167612      1.272646
  H      -6.446629      1.821056      7.640211
  H      -6.612681      2.249839      5.938058
  H      -6.280592      4.264137      8.227892
  H      -6.539684      4.686041      6.535812
  H      -8.515982      3.039480      8.228553
  H      -8.582398      4.782756      8.118864
  H      -9.072813      4.056956      3.088066
  H     -13.383359      3.457327      4.525924
  H     -14.464666      3.186425      6.765164
  H     -13.078976      3.207918      8.831922
  H     -10.633304      3.487709      8.700901
  N      -4.989016      4.005716      4.073175
  N      -6.299245      3.718080      3.596680
  H      -7.059977      3.798514      4.343656
  H      -6.346984      2.737464      3.127596
  H      -6.542351      4.393910      2.853160
100
Coordinates from ORCA-job orca E -6259.555319042629
  N      -2.566941      2.403245      4.260498
  Mo     -3.746995      3.608529      5.341689
  N      -4.713866      2.613441      6.739060
  C      -3.994716      2.159019      7.928721
  C      -2.522306      1.957342      7.595522
  N      -2.025685      3.104061      6.798293
  C      -0.856693      2.767232      5.955475
  C      -1.305801      1.905175      4.788728
  C      -1.771815      4.312314      7.619896
  C      -1.963683      5.544660      6.748378
  N      -3.204789      5.390066      5.993121
  H      -0.525471      1.915983      4.003683
  H      -1.393751      0.847592      5.109690
  H      -0.449734      3.715230      5.577945
  H      -0.068032      2.270218      6.547988
  H      -2.017354      6.438695      7.394140
  H      -1.093517      5.696051      6.082475
  H      -2.512918      4.331200      8.430366
  H      -0.765468      4.272910      8.073830
  H      -4.408878      1.201369      8.293142
  H      -4.108462      2.882913      8.761242
  H      -2.416719      1.058453      6.972629
  H      -1.916810      1.816006      8.508043
  C      -3.075231      1.586764      3.158963
  C      -3.563504      0.186689      3.605088
  C      -5.099296      0.028296      3.634472
  C      -5.770962      0.242160      2.311194
  N      -6.398087      1.401815      2.115453
  C      -6.999923      1.621445      0.911672
  N      -7.025323      0.809684     -0.118179
  C      -6.390751     -0.392046      0.042835
  C      -6.384004     -1.313594     -1.030798
  C      -5.758331     -2.534605     -0.886226
  C      -5.124347     -2.882254      0.330174
  C      -5.115454     -2.002341      1.392560
  C      -5.742256     -0.736080      1.272699
  C      -3.941226      6.632935      5.757627
  C      -3.323022      7.522731      4.668772
  C      -3.322960      6.874525      3.286469
  C      -4.679727      6.711194      2.652469
  N      -5.707849      7.361940      3.184644
  C      -6.925151      7.215217      2.594485
  N      -7.226014      6.497363      1.530225
  C      -6.178147      5.829471      0.944402
  C      -6.423756      5.038020     -0.204298
  C      -5.394330      4.328288     -0.788902
  C      -4.088290      4.382864     -0.248689
  C      -3.821405      5.154602      0.864625
  C      -4.855695      5.897558      1.484220
  C      -6.169477      2.564829      6.866260
  C      -6.776595      3.903138      7.307579
  C      -8.279780      3.844856      7.561310
  C      -9.185679      3.785464      6.358860
  N      -8.674782      3.936945      5.139283
  C      -9.536797      3.940934      4.079408
  N     -10.839631      3.799480      4.107992
  C     -11.398441      3.623912      5.345334
  C     -12.799966      3.460148      5.447509
  C     -13.385751      3.294781      6.685658
  C     -12.597243      3.287388      7.859801
  C     -11.227530      3.442405      7.787147
  C     -10.595867      3.611571      6.529362
  H      -2.296528      1.492659      2.378681
  H      -3.906520      2.142328      2.706401
  H      -3.222008      0.011666      4.636312
  H      -3.111709     -0.604911      2.990225
  H      -5.338671     -0.982287      3.999434
  H      -5.520647      0.741746      4.357848
  H      -7.504746      2.586175      0.807583
  H      -6.886364     -1.029393     -1.956031
  H      -5.755352     -3.245516     -1.713913
  H      -4.642499     -3.856114      0.425878
  H      -4.628912     -2.282851      2.326749
  H      -4.971388      6.385940      5.475874
  H      -3.990218      7.206065      6.702514
  H      -2.285554      7.771964      4.941482
  H      -3.885486      8.467090      4.641146
  H      -2.699112      7.464435      2.591850
  H      -2.842719      5.883845      3.343106
  H      -7.747762      7.757141      3.072160
  H      -7.439440      5.010515     -0.602236
  H      -5.589522      3.712630     -1.668270
  H      -3.287420      3.809963     -0.718537
  H      -2.814596      5.182935      1.280438
  H      -6.447024      1.785336      7.600272
  H      -6.614186      2.252807      5.907981
  H      -6.282593      4.217877      8.239714
  H      -6.542312      4.672993      6.556066
  H      -8.514200      2.987784      8.215248
  H      -8.585354      4.733219      8.141360
  H      -9.076529      4.086773      3.095663
  H     -13.386830      3.473156      4.528392
  H     -14.466816      3.170206      6.764406
  H     -13.078836      3.158424      8.830037
  H     -10.633307      3.436560      8.700818
  N      -4.988144      4.010849      4.064521
  N      -6.302055      3.741170      3.590577
  H      -7.059864      3.814676      4.340943
  H      -6.354946      2.764896      3.109515
  H      -6.543896      4.427764      2.856837
100
Coordinates from ORCA-job orca E -6259.556129619751
  N      -2.559362      2.436497      4.237631
  Mo     -3.753189      3.613131      5.334303
  N      -4.713197      2.593902      6.717731
  C      -3.992661      2.126519      7.901683
  C      -2.517203      1.946314      7.568751
  N      -2.032325      3.110564      6.789551
  C      -0.857767      2.800657      5.944454
  C      -1.293000      1.948775      4.765284
  C      -1.797683      4.310853      7.628278
  C      -1.999157      5.552748      6.772249
  N      -3.233107      5.394301      6.005510
  H      -0.510379      1.979777      3.983146
  H      -1.367289      0.885861      5.072097
  H      -0.462940      3.759157      5.580610
  H      -0.063496      2.306267      6.531676
  H      -2.067964      6.436959      7.430079
  H      -1.126185      5.723469      6.114611
  H      -2.543792      4.309042      8.434304
  H      -0.793574      4.277772      8.087503
  H      -4.397714      1.158621      8.248836
  H      -4.115906      2.835054      8.745879
  H      -2.400110      1.058176      6.932649
  H      -1.912014      1.798142      8.480433
  C      -3.049183      1.621097      3.126155
  C      -3.543720      0.220406      3.561651
  C      -5.079630      0.081882      3.632255
  C      -5.776795      0.275973      2.318691
  N      -6.404269      1.433344      2.113462
  C      -7.025179      1.635378      0.916359
  N      -7.069265      0.807030     -0.099387
  C      -6.437704     -0.394944      0.072402
  C      -6.453271     -1.335121     -0.984900
  C      -5.833744     -2.557760     -0.828496
  C      -5.184122     -2.888795      0.384294
  C      -5.152258     -1.990137      1.430388
  C      -5.771367     -0.721201      1.297637
  C      -3.967872      6.636245      5.760841
  C      -3.336980      7.527807      4.681203
  C      -3.312636      6.878729      3.299471
  C      -4.658424      6.709956      2.643877
  N      -5.696375      7.361588      3.155781
  C      -6.904244      7.206681      2.548760
  N      -7.187757      6.477439      1.487218
  C      -6.128704      5.810439      0.920632
  C      -6.354975      5.008715     -0.224867
  C      -5.314056      4.299896     -0.790100
  C      -4.015404      4.366578     -0.233841
  C      -3.767326      5.148128      0.876938
  C      -4.813996      5.889267      1.477889
  C      -6.168466      2.538306      6.844170
  C      -6.776665      3.866549      7.315273
  C      -8.279535      3.801404      7.569624
  C      -9.186627      3.766920      6.366813
  N      -8.676520      3.938263      5.149484
  C      -9.539832      3.963937      4.090817
  N     -10.843141      3.826756      4.118612
  C     -11.401181      3.631737      5.353519
  C     -12.803256      3.472272      5.454590
  C     -13.388277      3.287574      6.690468
  C     -12.598253      3.255914      7.863198
  C     -11.227976      3.406382      7.791331
  C     -10.597221      3.595223      6.535989
  H      -2.252685      1.524898      2.364332
  H      -3.870679      2.175977      2.654181
  H      -3.170322      0.019281      4.576773
  H      -3.123296     -0.563660      2.915436
  H      -5.323907     -0.918629      4.021099
  H      -5.474539      0.814031      4.351855
  H      -7.529147      2.599724      0.805117
  H      -6.968404     -1.064020     -1.907061
  H      -5.848371     -3.283025     -1.643513
  H      -4.708608     -3.864682      0.490331
  H      -4.654722     -2.258432      2.362333
  H      -4.994009      6.387747      5.465608
  H      -4.029475      7.208864      6.705350
  H      -2.305290      7.783020      4.969589
  H      -3.904291      8.469005      4.644296
  H      -2.679749      7.470895      2.614992
  H      -2.829963      5.889637      3.363276
  H      -7.735204      7.750944      3.008968
  H      -7.365085      4.972909     -0.636104
  H      -5.494245      3.676567     -1.667313
  H      -3.205196      3.795079     -0.689166
  H      -2.766080      5.185615      1.305168
  H      -6.444719      1.742317      7.560797
  H      -6.614218      2.248152      5.879621
  H      -6.281709      4.161919      8.253119
  H      -6.544830      4.652278      6.579487
  H      -8.512204      2.929761      8.204764
  H      -8.585239      4.676456      8.169326
  H      -9.080001      4.125693      3.109217
  H     -13.391077      3.504113      4.536540
  H     -14.469786      3.166400      6.768449
  H     -13.078990      3.111837      8.831735
  H     -10.632626      3.381729      8.703954
  N      -4.994961      4.015893      4.060408
  N      -6.311862      3.758460      3.589946
  H      -7.064821      3.819838      4.345499
  H      -6.364465      2.786310      3.096036
  H      -6.556051      4.455394      2.867162
100
Coordinates from ORCA-job orca E -6259.556890108802
  N      -2.555847      2.474587      4.213498
  Mo     -3.763014      3.620413      5.327608
  N      -4.714719      2.575701      6.696826
  C      -3.991443      2.094486      7.873433
  C      -2.513559      1.936733      7.539566
  N      -2.041910      3.119224      6.779712
  C      -0.862478      2.838132      5.931613
  C      -1.284145      1.997283      4.740101
  C      -1.827111      4.310055      7.636975
  C      -2.038219      5.562056      6.798031
  N      -3.264574      5.400416      6.019843
  H      -0.499909      2.048878      3.960727
  H      -1.344475      0.929325      5.032234
  H      -0.481032      3.807458      5.582347
  H      -0.061862      2.346647      6.512691
  H      -2.122161      6.435873      7.467952
  H      -1.162820      5.752205      6.148831
  H      -2.578952      4.285506      8.437154
  H      -0.825753      4.282332      8.102342
  H      -4.386600      1.116189      8.202396
  H      -4.123290      2.786484      8.729896
  H      -2.385504      1.060290      6.889580
  H      -1.907719      1.781150      8.449596
  C      -3.025502      1.663188      3.090179
  C      -3.521318      0.258821      3.509955
  C      -5.055319      0.133735      3.621781
  C      -5.778874      0.309373      2.319643
  N      -6.407686      1.464254      2.107113
  C      -7.048508      1.650498      0.918061
  N      -7.110987      0.807427     -0.084301
  C      -6.481249     -0.394454      0.096075
  C      -6.519185     -1.351033     -0.945792
  C      -5.904759     -2.574954     -0.779914
  C      -5.238304     -2.891002      0.427681
  C      -5.183329     -1.975745      1.458323
  C      -5.796033     -0.704726      1.315120
  C      -3.996650      6.641553      5.764489
  C      -3.351445      7.531736      4.692204
  C      -3.301138      6.877400      3.313523
  C      -4.634371      6.700135      2.635349
  N      -5.683377      7.351763      3.124495
  C      -6.880571      7.184875      2.500108
  N      -7.144405      6.441957      1.442688
  C      -6.072609      5.777332      0.897314
  C      -6.276871      4.963491     -0.243738
  C      -5.223043      4.256339     -0.786789
  C      -3.933095      4.337540     -0.212752
  C      -3.706450      5.131035      0.894093
  C      -4.766855      5.870021      1.473231
  C      -6.169458      2.512741      6.824510
  C      -6.779197      3.830436      7.323763
  C      -8.281306      3.758891      7.581418
  C      -9.190991      3.747422      6.379944
  N      -8.682269      3.933959      5.164401
  C      -9.547614      3.980588      4.108050
  N     -10.851677      3.851058      4.136644
  C     -11.408472      3.641119      5.369868
  C     -12.811353      3.489669      5.471608
  C     -13.394981      3.290511      6.705991
  C     -12.602648      3.235852      7.876280
  C     -11.231509      3.378140      7.803499
  C     -10.602249      3.581642      6.549759
  H      -2.212739      1.568752      2.345596
  H      -3.839020      2.216228      2.601712
  H      -3.115504      0.029006      4.506383
  H      -3.129665     -0.511869      2.830261
  H      -5.300314     -0.857789      4.032520
  H      -5.424758      0.881872      4.338101
  H      -7.552632      2.614058      0.801599
  H      -7.047984     -1.091559     -1.863572
  H      -5.937004     -3.312958     -1.582901
  H      -4.768246     -3.868553      0.542281
  H      -4.673632     -2.233393      2.386670
  H      -5.018484      6.391678      5.455724
  H      -4.071007      7.215350      6.707429
  H      -2.325938      7.793204      4.996338
  H      -3.922600      8.470018      4.642300
  H      -2.658790      7.470145      2.638375
  H      -2.815830      5.890315      3.388128
  H      -7.721102      7.730447      2.941021
  H      -7.280534      4.917193     -0.669390
  H      -5.385950      3.623784     -1.660809
  H      -3.112510      3.767517     -0.651059
  H      -2.711906      5.178907      1.336391
  H      -6.442572      1.701521      7.525153
  H      -6.616843      2.241415      5.855304
  H      -6.281436      4.108155      8.265429
  H      -6.551663      4.630459      6.602098
  H      -8.511647      2.874581      8.199774
  H      -8.585955      4.621780      8.198855
  H      -9.088568      4.154542      3.127958
  H     -13.400938      3.539278      4.555488
  H     -14.477144      3.175695      6.784591
  H     -13.082179      3.080556      8.843674
  H     -10.634206      3.335745      8.714199
  N      -5.007390      4.024582      4.059091
  N      -6.327739      3.779039      3.593010
  H      -7.075041      3.829337      4.354391
  H      -6.380360      2.811071      3.086142
  H      -6.574456      4.486590      2.881980
100
Coordinates from ORCA-job orca E -6259.557585808988
  N      -2.557317      2.522516      4.185810
  Mo     -3.778595      3.631688      5.321496
  N      -4.716675      2.556988      6.676174
  C      -3.987147      2.062654      7.843620
  C      -2.507133      1.930975      7.506046
  N      -2.053476      3.133400      6.766373
  C      -0.870207      2.885981      5.912907
  C      -1.278490      2.057418      4.708502
  C      -1.860385      4.313360      7.644197
  C      -2.085078      5.575969      6.824982
  N      -3.304079      5.410123      6.036538
  H      -0.494496      2.132865      3.930887
  H      -1.321817      0.984434      4.984257
  H      -0.505386      3.867226      5.579620
  H      -0.060949      2.398440      6.485381
  H      -2.185109      6.437834      7.508164
  H      -1.208766      5.788188      6.183773
  H      -2.617017      4.262701      8.438463
  H      -0.861444      4.292158      8.114851
  H      -4.369579      1.073311      8.153986
  H      -4.127325      2.736526      8.713040
  H      -2.367634      1.067683      6.841126
  H      -1.898133      1.768434      8.412699
  C      -3.006900      1.719402      3.048413
  C      -3.498575      0.307881      3.447287
  C      -5.028304      0.186434      3.607825
  C      -5.789382      0.347646      2.325285
  N      -6.431851      1.495982      2.119806
  C      -7.105328      1.669082      0.946895
  N      -7.188348      0.817665     -0.046681
  C      -6.547503     -0.379343      0.127468
  C      -6.608920     -1.345057     -0.904724
  C      -5.985948     -2.565353     -0.744309
  C      -5.287236     -2.868313      0.448218
  C      -5.207904     -1.943466      1.468793
  C      -5.828693     -0.675841      1.330563
  C      -4.035822      6.648187      5.767934
  C      -3.376091      7.536642      4.702639
  C      -3.289405      6.870492      3.331302
  C      -4.603737      6.675261      2.622946
  N      -5.669407      7.326235      3.076050
  C      -6.849279      7.139574      2.425099
  N      -7.081619      6.376550      1.374194
  C      -5.990793      5.714222      0.864081
  C      -6.160345      4.880564     -0.268232
  C      -5.087942      4.173146     -0.773181
  C      -3.813250      4.274758     -0.169394
  C      -3.620197      5.088533      0.929031
  C      -4.700486      5.827587      1.469920
  C      -6.170781      2.484258      6.806774
  C      -6.782258      3.791136      7.332637
  C      -8.283162      3.714268      7.596002
  C      -9.197208      3.730239      6.397404
  N      -8.691429      3.937657      5.184119
  C      -9.559877      4.009956      4.131725
  N     -10.864607      3.887424      4.162223
  C     -11.418529      3.656638      5.393218
  C     -12.821929      3.511890      5.496756
  C     -13.402605      3.292319      6.729198
  C     -12.606665      3.209835      7.895334
  C     -11.234860      3.345067      7.820567
  C     -10.608769      3.569297      6.568923
  H      -2.180904      1.632078      2.317822
  H      -3.815511      2.271032      2.549204
  H      -3.056306      0.046929      4.420278
  H      -3.135422     -0.443306      2.730760
  H      -5.263652     -0.799878      4.036260
  H      -5.371973      0.943391      4.327437
  H      -7.619979      2.627855      0.837201
  H      -7.162903     -1.095580     -1.810340
  H      -6.036513     -3.310593     -1.539624
  H      -4.811368     -3.843444      0.559473
  H      -4.673227     -2.191766      2.385575
  H      -5.051483      6.393724      5.443235
  H      -4.126664      7.224184      6.708166
  H      -2.359489      7.809847      5.025660
  H      -3.953869      8.469536      4.632982
  H      -2.635768      7.462713      2.666526
  H      -2.798100      5.887930      3.425316
  H      -7.704735      7.685361      2.836156
  H      -7.152824      4.818659     -0.717346
  H      -5.223992      3.525072     -1.640402
  H      -2.977709      3.704102     -0.577663
  H      -2.637605      5.150389      1.395661
  H      -6.438522      1.658986      7.493054
  H      -6.619975      2.228268      5.834336
  H      -6.280119      4.051993      8.276771
  H      -6.560212      4.604492      6.624328
  H      -8.511143      2.817158      8.196656
  H      -8.585064      4.563902      8.232690
  H      -9.102973      4.200521      3.153436
  H     -13.414358      3.582989      4.583909
  H     -14.485190      3.182805      6.809372
  H     -13.083847      3.038562      8.861200
  H     -10.634508      3.280994      8.728012
  N      -5.029221      4.036821      4.061231
  N      -6.352001      3.798441      3.599233
  H      -7.092777      3.831506      4.367194
  H      -6.400462      2.837036      3.074709
  H      -6.604493      4.518671      2.903592
100
Coordinates from ORCA-job orca E -6259.558189814031
  N      -2.566451      2.565002      4.164071
  Mo     -3.794640      3.646162      5.318920
  N      -4.721055      2.549672      6.664345
  C      -3.984744      2.043326      7.821689
  C      -2.504500      1.932574      7.478666
  N      -2.066163      3.150384      6.755128
  C      -0.881789      2.929150      5.896141
  C      -1.281868      2.109429      4.683143
  C      -1.889913      4.320432      7.649880
  C      -2.125576      5.592242      6.848227
  N      -3.337955      5.423431      6.051021
  H      -0.499195      2.201558      3.906016
  H      -1.312994      1.033213      4.947469
  H      -0.531377      3.919571      5.574526
  H      -0.064692      2.445759      6.460983
  H      -2.239374      6.443697      7.542298
  H      -1.248225      5.823496      6.214688
  H      -2.650917      4.247005      8.438022
  H      -0.893360      4.303095      8.125535
  H      -4.356651      1.045081      8.115912
  H      -4.129633      2.701170      8.702630
  H      -2.357796      1.080168      6.801527
  H      -1.891583      1.764024      8.381610
  C      -3.001237      1.770606      3.015077
  C      -3.487838      0.350363      3.384376
  C      -5.013295      0.231483      3.584075
  C      -5.801855      0.382966      2.316226
  N      -6.452077      1.527685      2.113659
  C      -7.148451      1.690638      0.952597
  N      -7.246743      0.832207     -0.033275
  C      -6.599521     -0.361809      0.138036
  C      -6.678077     -1.334728     -0.886199
  C      -6.050897     -2.553198     -0.728487
  C      -5.330853     -2.846720      0.453592
  C      -5.233799     -1.914305      1.465830
  C      -5.858063     -0.648267      1.329848
  C      -4.064643      6.661437      5.768004
  C      -3.389951      7.542095      4.704721
  C      -3.270597      6.860951      3.343108
  C      -4.567641      6.644313      2.610133
  N      -5.648427      7.292010      3.031455
  C      -6.813102      7.081205      2.361137
  N      -7.016954      6.297505      1.319068
  C      -5.908169      5.642181      0.838262
  C      -6.045740      4.790440     -0.284456
  C      -4.955345      4.088616     -0.757896
  C      -3.694459      4.213979     -0.130544
  C      -3.532959      5.046114      0.959257
  C      -4.631870      5.780062      1.467141
  C      -6.174209      2.469957      6.801781
  C      -6.789230      3.767206      7.346521
  C      -8.288604      3.681378      7.616156
  C      -9.207212      3.713820      6.421742
  N      -8.704609      3.933874      5.209647
  C      -9.576053      4.022381      4.161037
  N     -10.881062      3.904655      4.194330
  C     -11.432057      3.660374      5.424239
  C     -12.835614      3.519742      5.530540
  C     -13.413042      3.286821      6.762048
  C     -12.613792      3.186306      7.924438
  C     -11.241707      3.317216      7.846937
  C     -10.618795      3.555225      6.596115
  H      -2.163570      1.691992      2.296820
  H      -3.807707      2.318724      2.508600
  H      -3.013358      0.051379      4.331025
  H      -3.151331     -0.374073      2.628202
  H      -5.240869     -0.751304      4.024587
  H      -5.337468      0.994071      4.306734
  H      -7.668722      2.646878      0.846332
  H      -7.248801     -1.092096     -1.783255
  H      -6.114666     -3.304136     -1.517480
  H      -4.852256     -3.820637      0.563675
  H      -4.682124     -2.156258      2.374233
  H      -5.076177      6.405695      5.432076
  H      -4.166454      7.243335      6.703441
  H      -2.381734      7.826645      5.043715
  H      -3.972762      8.469922      4.612720
  H      -2.608492      7.451455      2.685265
  H      -2.772066      5.884039      3.458272
  H      -7.682380      7.624203      2.746272
  H      -7.028265      4.710109     -0.752012
  H      -5.066067      3.427279     -1.618692
  H      -2.844628      3.646553     -0.513013
  H      -2.561737      5.123723      1.446281
  H      -6.435095      1.634662      7.478581
  H      -6.626180      2.222505      5.828101
  H      -6.282652      4.018326      8.290938
  H      -6.575003      4.590171      6.646840
  H      -8.511617      2.774594      8.204113
  H      -8.589954      4.520655      8.266615
  H      -9.121316      4.223408      3.183525
  H     -13.431013      3.604529      4.620790
  H     -14.495800      3.180535      6.844316
  H     -13.088621      3.004462      8.889519
  H     -10.638342      3.239014      8.751259
  N      -5.053081      4.052842      4.068791
  N      -6.379506      3.824624      3.614634
  H      -7.113532      3.853268      4.389211
  H      -6.428288      2.862624      3.086454
  H      -6.636405      4.550565      2.926850
100
Coordinates from ORCA-job orca E -6259.558733236858
  N      -2.573704      2.600343      4.147162
  Mo     -3.807440      3.660732      5.316350
  N      -4.725455      2.548418      6.655578
  C      -3.983725      2.032744      7.805957
  C      -2.502597      1.938100      7.459409
  N      -2.076457      3.166609      6.747393
  C      -0.891391      2.966055      5.883936
  C      -1.284905      2.152451      4.664425
  C      -1.913403      4.329721      7.654069
  C      -2.156047      5.606818      6.864516
  N      -3.362822      5.437336      6.060008
  H      -0.502739      2.258086      3.888531
  H      -1.306288      1.074175      4.920096
  H      -0.551727      3.962926      5.571178
  H      -0.067811      2.485633      6.441976
  H      -2.279878      6.450076      7.567083
  H      -1.277486      5.851913      6.237845
  H      -2.677189      4.241191      8.437906
  H      -0.918705      4.316681      8.133640
  H      -4.347627      1.027827      8.086956
  H      -4.133076      2.677284      8.695906
  H      -2.349830      1.093994      6.773398
  H      -1.886281      1.765653      8.359169
  C      -2.993496      1.816508      2.986329
  C      -3.478386      0.390022      3.332376
  C      -4.997746      0.273046      3.577843
  C      -5.821881      0.420506      2.332480
  N      -6.481466      1.562530      2.144958
  C      -7.207978      1.722383      1.001925
  N      -7.328617      0.862638      0.019762
  C      -6.673011     -0.328814      0.175609
  C      -6.774454     -1.302630     -0.845733
  C      -6.138883     -2.518680     -0.703659
  C      -5.387314     -2.808420      0.459494
  C      -5.267439     -1.874862      1.468416
  C      -5.899967     -0.611507      1.348096
  C      -4.078768      6.677355      5.758636
  C      -3.387016      7.547380      4.696293
  C      -3.238396      6.849882      3.345945
  C      -4.519017      6.621105      2.589393
  N      -5.608796      7.274562      2.977896
  C      -6.759421      7.048786      2.288685
  N      -6.941660      6.242835      1.259053
  C      -5.821509      5.583429      0.810207
  C      -5.935316      4.710000     -0.297761
  C      -4.833394      4.004769     -0.738842
  C      -3.583972      4.150136     -0.093598
  C      -3.446150      5.003326      0.983371
  C      -4.557927      5.738865      1.458961
  C      -6.178184      2.460810      6.796905
  C      -6.799618      3.750150      7.352100
  C      -8.297725      3.652173      7.624934
  C      -9.220039      3.696456      6.433533
  N      -8.722147      3.940093      5.224078
  C      -9.596401      4.040636      4.178845
  N     -10.900520      3.913729      4.213165
  C     -11.446628      3.644086      5.439928
  C     -12.848759      3.490778      5.546759
  C     -13.421584      3.231910      6.775302
  C     -12.618930      3.117383      7.933963
  C     -11.247981      3.260274      7.855933
  C     -10.629957      3.524813      6.608200
  H      -2.145149      1.741553      2.280604
  H      -3.794008      2.366971      2.471991
  H      -2.970949      0.056530      4.250076
  H      -3.173512     -0.310328      2.540803
  H      -5.212317     -0.708524      4.027629
  H      -5.301225      1.036497      4.308662
  H      -7.735019      2.676626      0.908938
  H      -7.368864     -1.062392     -1.727877
  H      -6.220133     -3.270346     -1.490317
  H      -4.902053     -3.780333      0.557698
  H      -4.690579     -2.113827      2.361798
  H      -5.087456      6.424621      5.412667
  H      -4.188023      7.266696      6.688547
  H      -2.386219      7.839804      5.050476
  H      -3.970239      8.472204      4.580852
  H      -2.564330      7.433581      2.694155
  H      -2.739045      5.876227      3.484679
  H      -7.637630      7.596102      2.646734
  H      -6.908876      4.615759     -0.780984
  H      -4.925751      3.327791     -1.589605
  H      -2.724348      3.581133     -0.451051
  H      -2.484096      5.095017      1.486393
  H      -6.431703      1.619482      7.469160
  H      -6.630847      2.215549      5.822968
  H      -6.292327      3.997614      8.297128
  H      -6.592494      4.579467      6.657994
  H      -8.513552      2.736362      8.201584
  H      -8.602510      4.480760      8.287368
  H      -9.145477      4.261201      3.203666
  H     -13.446934      3.586498      4.639934
  H     -14.503264      3.115654      6.858047
  H     -13.090147      2.914871      8.896712
  H     -10.641854      3.170642      8.757383
  N      -5.070873      4.068441      4.073355
  N      -6.399760      3.850133      3.623419
  H      -7.129834      3.870440      4.402020
  H      -6.450262      2.892557      3.083466
  H      -6.658347      4.586467      2.947719
100
Coordinates from ORCA-job orca E -6259.559192159758
  N      -2.584042      2.616195      4.145471
  Mo     -3.817857      3.669981      5.321282
  N      -4.733422      2.553961      6.660239
  C      -3.989598      2.033664      7.807387
  C      -2.508345      1.945740      7.459768
  N      -2.087338      3.177448      6.750763
  C      -0.902909      2.983563      5.885022
  C      -1.295128      2.169628      4.664901
  C      -1.929767      4.338434      7.660889
  C      -2.174335      5.617398      6.875990
  N      -3.376855      5.448290      6.065380
  H      -0.512014      2.276507      3.890170
  H      -1.316324      1.091376      4.920464
  H      -0.567843      3.982232      5.573048
  H      -0.075964      2.505518      6.440193
  H      -2.304592      6.456336      7.582825
  H      -1.293546      5.870520      6.255383
  H      -2.694973      4.245128      8.442879
  H      -0.936319      4.327558      8.143135
  H      -4.350197      1.025660      8.081452
  H      -4.141665      2.671385      8.701807
  H      -2.352890      1.104245      6.771221
  H      -1.890619      1.772833      8.358482
  C      -2.993407      1.842537      2.974911
  C      -3.481577      0.411910      3.295447
  C      -4.996620      0.299488      3.570147
  C      -5.837648      0.446828      2.335958
  N      -6.495862      1.590430      2.152088
  C      -7.232337      1.750958      1.015454
  N      -7.365349      0.889773      0.036137
  C      -6.712718     -0.303707      0.188441
  C      -6.826854     -1.279045     -0.830186
  C      -6.193125     -2.496598     -0.692382
  C      -5.430793     -2.786182      0.463767
  C      -5.298763     -1.851230      1.469970
  C      -5.929244     -0.586522      1.353915
  C      -4.075212      6.693638      5.742806
  C      -3.366738      7.547954      4.677868
  C      -3.202256      6.837643      3.335750
  C      -4.473350      6.608219      2.563021
  N      -5.564635      7.270920      2.931447
  C      -6.708262      7.040884      2.232231
  N      -6.882874      6.219141      1.213428
  C      -5.759490      5.552800      0.782861
  C      -5.864128      4.667002     -0.315421
  C      -4.756887      3.960975     -0.742847
  C      -3.511220      4.120075     -0.094115
  C      -3.383318      4.983819      0.976073
  C      -4.501342      5.717251      1.439123
  C      -6.185766      2.464061      6.805674
  C      -6.810782      3.750095      7.362967
  C      -8.307791      3.641302      7.638245
  C      -9.233554      3.685774      6.449703
  N      -8.741208      3.945095      5.241187
  C      -9.618417      4.044211      4.198316
  N     -10.920909      3.902376      4.234162
  C     -11.461253      3.615690      5.459519
  C     -12.861142      3.444192      5.567628
  C     -13.428389      3.166945      6.794759
  C     -12.622186      3.051661      7.950851
  C     -11.253228      3.212163      7.871676
  C     -10.640945      3.495821      6.625313
  H      -2.135048      1.768603      2.281207
  H      -3.786241      2.397209      2.453300
  H      -2.951781      0.043702      4.186993
  H      -3.204026     -0.264294      2.473206
  H      -5.205021     -0.681497      4.024281
  H      -5.289255      1.062680      4.305719
  H      -7.756294      2.707492      0.925473
  H      -7.428904     -1.038345     -1.707000
  H      -6.283928     -3.249285     -1.477028
  H      -4.946670     -3.758981      0.558729
  H      -4.713006     -2.089743      2.357679
  H      -5.084360      6.449232      5.392326
  H      -4.183983      7.293749      6.665787
  H      -2.369993      7.842002      5.042134
  H      -3.945762      8.472929      4.543942
  H      -2.517060      7.412705      2.687911
  H      -2.707330      5.864153      3.491562
  H      -7.588453      7.595924      2.573172
  H      -6.834050      4.564649     -0.804193
  H      -4.841870      3.275778     -1.587792
  H      -2.646849      3.552456     -0.442036
  H      -2.424050      5.086468      1.482618
  H      -6.434798      1.621871      7.478562
  H      -6.639793      2.217297      5.832471
  H      -6.303214      3.999672      8.307323
  H      -6.609048      4.581410      6.669729
  H      -8.516062      2.720736      8.210050
  H      -8.616845      4.463883      8.306286
  H      -9.171903      4.276539      3.223891
  H     -13.462284      3.540523      4.662809
  H     -14.508365      3.036357      6.878347
  H     -13.089042      2.834354      8.912516
  H     -10.644301      3.121586      8.771183
  N      -5.084756      4.077913      4.083744
  N      -6.416275      3.869239      3.639809
  H      -7.143960      3.885757      4.421592
  H      -6.470568      2.912489      3.095791
  H      -6.675776      4.611549      2.970915
100
Coordinates from ORCA-job orca E -6259.559545192260
  N      -2.585694      2.619308      4.154795
  Mo     -3.819414      3.676611      5.326569
  N      -4.741904      2.564623      6.666682
  C      -4.001458      2.041459      7.815410
  C      -2.519331      1.953103      7.473537
  N      -2.096309      3.183123      6.763506
  C      -0.909956      2.986230      5.901276
  C      -1.300158      2.170255      4.681337
  C      -1.941183      4.345501      7.672330
  C      -2.180697      5.624385      6.885968
  N      -3.378006      5.457625      6.067099
  H      -0.513266      2.273638      3.910076
  H      -1.326827      1.092884      4.939581
  H      -0.572156      3.983520      5.587873
  H      -0.084970      2.507539      6.458851
  H      -2.315872      6.462313      7.593413
  H      -1.295339      5.880100      6.272715
  H      -2.709469      4.255158      8.451799
  H      -0.950193      4.334377      8.159540
  H      -4.363170      1.032665      8.085142
  H      -4.157908      2.676323      8.711055
  H      -2.361386      1.110390      6.787075
  H      -1.904367      1.781870      8.374409
  C      -2.982636      1.859863      2.971509
  C      -3.476071      0.425658      3.259180
  C      -4.986251      0.317089      3.563943
  C      -5.845201      0.466018      2.342266
  N      -6.500986      1.612223      2.163728
  C      -7.249880      1.773971      1.035476
  N      -7.400311      0.910715      0.060439
  C      -6.752751     -0.286046      0.208181
  C      -6.886090     -1.264169     -0.805488
  C      -6.256364     -2.484367     -0.672837
  C      -5.479033     -2.773880      0.473272
  C      -5.328794     -1.836529      1.474710
  C      -5.955085     -0.569262      1.363784
  C      -4.057715      6.709198      5.727705
  C      -3.334854      7.547593      4.659980
  C      -3.166673      6.828620      3.322673
  C      -4.434687      6.603512      2.542836
  N      -5.526550      7.265900      2.909688
  C      -6.670176      7.030805      2.212077
  N      -6.844950      6.200071      1.200438
  C      -5.720412      5.537088      0.769394
  C      -5.824325      4.646403     -0.324543
  C      -4.712048      3.952123     -0.759346
  C      -3.462520      4.130091     -0.123669
  C      -3.336475      4.996679      0.944998
  C      -4.460124      5.714399      1.417673
  C      -6.194158      2.473391      6.813923
  C      -6.823927      3.758789      7.364977
  C      -8.320098      3.638243      7.640322
  C      -9.247390      3.670695      6.453025
  N      -8.759580      3.933911      5.243550
  C      -9.639183      4.019289      4.201861
  N     -10.940009      3.862754      4.239448
  C     -11.475383      3.572210      5.465770
  C     -12.872991      3.384419      5.576109
  C     -13.435361      3.102110      6.804319
  C     -12.626302      2.998151      7.959436
  C     -11.259438      3.174915      7.878161
  C     -10.652160      3.463865      6.630588
  H      -2.112188      1.786899      2.292480
  H      -3.764526      2.421775      2.441896
  H      -2.924825      0.017209      4.119577
  H      -3.228016     -0.220059      2.403386
  H      -5.186934     -0.663962      4.021396
  H      -5.268747      1.078695      4.304956
  H      -7.769203      2.733390      0.949335
  H      -7.499026     -1.022961     -1.674568
  H      -6.361882     -3.238994     -1.453742
  H      -4.997761     -3.748465      0.564321
  H      -4.731187     -2.074633      2.354594
  H      -5.069138      6.475718      5.376038
  H      -4.161521      7.318704      6.645083
  H      -2.338993      7.837690      5.029778
  H      -3.906693      8.475265      4.514395
  H      -2.474465      7.396036      2.675498
  H      -2.677356      5.853813      3.488389
  H      -7.550332      7.588938      2.548029
  H      -6.796279      4.531814     -0.806451
  H      -4.796049      3.264463     -1.602359
  H      -2.593340      3.574950     -0.479650
  H      -2.373502      5.116318      1.440500
  H      -6.438774      1.633943      7.491744
  H      -6.648813      2.220996      5.842185
  H      -6.319024      4.017738      8.308248
  H      -6.626202      4.587674      6.667807
  H      -8.520375      2.716590      8.213083
  H      -8.635798      4.458908      8.307762
  H      -9.197104      4.253645      3.226674
  H     -13.476439      3.472253      4.671970
  H     -14.513575      2.958737      6.889523
  H     -13.089260      2.776803      8.922053
  H     -10.648532      3.093401      8.777191
  N      -5.082421      4.087636      4.086831
  N      -6.412888      3.891529      3.638888
  H      -7.145428      3.907460      4.416014
  H      -6.468764      2.934021      3.093926
  H      -6.665711      4.637262      2.970685
100
Coordinates from ORCA-job orca E -6259.559831897528
  N      -2.601797      2.644071      4.149154
  Mo     -3.838487      3.685823      5.330557
  N      -4.752095      2.562948      6.667825
  C      -4.007920      2.038224      7.813423
  C      -2.525990      1.959957      7.471152
  N      -2.112828      3.195030      6.763529
  C      -0.928059      3.007598      5.897775
  C      -1.317496      2.192137      4.677282
  C      -1.962732      4.354740      7.675988
  C      -2.210614      5.637717      6.897221
  N      -3.404786      5.468605      6.073621
  H      -0.529640      2.295494      3.907176
  H      -1.346361      1.114792      4.935933
  H      -0.597756      4.007512      5.583978
  H      -0.098552      2.532864      6.452060
  H      -2.354586      6.468630      7.611401
  H      -1.325366      5.907146      6.289222
  H      -2.729223      4.257628      8.456544
  H      -0.971451      4.346379      8.162446
  H      -4.363835      1.025866      8.077910
  H      -4.168780      2.666955      8.712560
  H      -2.362344      1.119482      6.783316
  H      -1.909002      1.791765      8.371303
  C      -2.987312      1.903437      2.949749
  C      -3.472776      0.460998      3.205158
  C      -4.974913      0.332515      3.541360
  C      -5.854344      0.480013      2.334487
  N      -6.519476      1.622132      2.169346
  C      -7.284649      1.784167      1.052438
  N      -7.445019      0.923227      0.077079
  C      -6.789468     -0.270970      0.211887
  C      -6.933205     -1.247450     -0.801928
  C      -6.295085     -2.464727     -0.681955
  C      -5.498586     -2.753020      0.451184
  C      -5.338075     -1.817340      1.452538
  C      -5.972958     -0.553046      1.354449
  C      -4.074344      6.719856      5.716063
  C      -3.337837      7.547898      4.651462
  C      -3.146168      6.813061      3.326143
  C      -4.399256      6.578324      2.525336
  N      -5.499153      7.242076      2.865078
  C      -6.629334      6.996361      2.149384
  N      -6.784623      6.151497      1.146258
  C      -5.650527      5.488670      0.741374
  C      -5.732209      4.586191     -0.344904
  C      -4.607553      3.898409     -0.758433
  C      -3.368382      4.092875     -0.107926
  C      -3.264234      4.968525      0.955913
  C      -4.400927      5.680427      1.407138
  C      -6.203656      2.468717      6.816795
  C      -6.828723      3.752815      7.376372
  C      -8.322970      3.631363      7.660809
  C      -9.254973      3.666079      6.476923
  N      -8.772040      3.938595      5.267005
  C      -9.655956      4.026828      4.229588
  N     -10.956286      3.864803      4.270965
  C     -11.486121      3.565003      5.497574
  C     -12.882707      3.372011      5.612177
  C     -13.439575      3.081207      6.841032
  C     -12.625859      2.974095      7.992574
  C     -11.259943      3.155961      7.907031
  C     -10.658233      3.453124      6.658678
  H      -2.110341      1.844886      2.277135
  H      -3.765164      2.471551      2.420910
  H      -2.897025      0.024478      4.034856
  H      -3.245531     -0.153182      2.320654
  H      -5.155581     -0.654039      3.994954
  H      -5.254561      1.084315      4.293427
  H      -7.809184      2.741489      0.977000
  H      -7.560793     -1.007256     -1.660839
  H      -6.408689     -3.218040     -1.463020
  H      -5.010751     -3.725206      0.532299
  H      -4.725735     -2.054253      2.322569
  H      -5.083030      6.487816      5.355294
  H      -4.183627      7.337157      6.627719
  H      -2.348951      7.845907      5.033286
  H      -3.911108      8.471719      4.486953
  H      -2.441698      7.373201      2.685800
  H      -2.659813      5.840237      3.511475
  H      -7.516019      7.558103      2.461105
  H      -6.695770      4.459043     -0.840328
  H      -4.673798      3.203012     -1.596724
  H      -2.489309      3.543757     -0.448739
  H      -2.308352      5.102190      1.461823
  H      -6.447524      1.626750      7.491431
  H      -6.660976      2.221691      5.844837
  H      -6.317276      4.008290      8.317032
  H      -6.635508      4.584716      6.681651
  H      -8.519473      2.708185      8.232140
  H      -8.635964      4.449595      8.332605
  H      -9.219338      4.270868      3.254511
  H     -13.489850      3.463020      4.710821
  H     -14.517020      2.933863      6.929521
  H     -13.084486      2.746422      8.955793
  H     -10.645615      3.072528      8.803504
  N      -5.112103      4.096027      4.101541
  N      -6.446091      3.895457      3.664451
  H      -7.173902      3.901532      4.446185
  H      -6.501654      2.937771      3.116525
  H      -6.708279      4.641035      2.999327
100
Coordinates from ORCA-job orca E -6259.560090613323
  N      -2.606667      2.648940      4.156299
  Mo     -3.843431      3.691283      5.335918
  N      -4.758289      2.569842      6.674266
  C      -4.016431      2.046980      7.822388
  C      -2.533963      1.967692      7.483717
  N      -2.119503      3.199993      6.771897
  C      -0.934435      3.007568      5.907306
  C      -1.325180      2.192447      4.687037
  C      -1.968038      4.361809      7.681250
  C      -2.212721      5.643840      6.899489
  N      -3.405222      5.475751      6.072862
  H      -0.535829      2.291781      3.918026
  H      -1.359397      1.115636      4.947017
  H      -0.600677      4.005993      5.592377
  H      -0.106972      2.530717      6.462855
  H      -2.357659      6.476147      7.611883
  H      -1.325563      5.911657      6.293706
  H      -2.734948      4.268216      8.461836
  H      -0.977279      4.352440      8.168773
  H      -4.372782      1.034922      8.087550
  H      -4.179866      2.677204      8.719996
  H      -2.368489      1.124471      6.799837
  H      -1.918700      1.803627      8.385712
  C      -2.982286      1.926321      2.943201
  C      -3.475301      0.483101      3.171256
  C      -4.973323      0.358527      3.529099
  C      -5.866243      0.504344      2.331685
  N      -6.528948      1.647991      2.167536
  C      -7.304416      1.807690      1.057433
  N      -7.479063      0.942195      0.088682
  C      -6.827525     -0.254309      0.223323
  C      -6.986873     -1.235907     -0.783123
  C      -6.351718     -2.454788     -0.664066
  C      -5.542082     -2.739466      0.460604
  C      -5.366340     -1.798818      1.454652
  C      -5.998917     -0.533179      1.357883
  C      -4.067071      6.728734      5.706624
  C      -3.320685      7.548744      4.642838
  C      -3.121737      6.808520      3.321395
  C      -4.367565      6.572632      2.509881
  N      -5.474662      7.227347      2.843467
  C      -6.598527      6.971322      2.121687
  N      -6.742329      6.119708      1.122357
  C      -5.600021      5.469785      0.721106
  C      -5.667833      4.565065     -0.364445
  C      -4.531806      3.896744     -0.778937
  C      -3.295681      4.111500     -0.129335
  C      -3.205677      4.986482      0.936464
  C      -4.353969      5.679135      1.388504
  C      -6.209906      2.468610      6.821292
  C      -6.841603      3.752061      7.376476
  C      -8.334965      3.624911      7.664321
  C      -9.270070      3.643781      6.482712
  N      -8.791717      3.903335      5.268147
  C      -9.679427      3.972940      4.232588
  N     -10.978671      3.803680      4.279560
  C     -11.503593      3.517810      5.511525
  C     -12.898820      3.319056      5.632881
  C     -13.450502      3.041594      6.867118
  C     -12.632779      2.953636      8.017494
  C     -11.268119      3.141325      7.925326
  C     -10.671652      3.425580      6.671377
  H      -2.098467      1.870549      2.279160
  H      -3.749754      2.505855      2.411907
  H      -2.886564      0.018649      3.976364
  H      -3.270560     -0.107232      2.265056
  H      -5.150387     -0.626361      3.987126
  H      -5.242315      1.113004      4.282541
  H      -7.824927      2.767290      0.981843
  H      -7.623625     -0.998071     -1.635913
  H      -6.477340     -3.211908     -1.439575
  H      -5.056030     -3.712631      0.540842
  H      -4.743280     -2.032486      2.317906
  H      -5.074712      6.498959      5.341911
  H      -4.178419      7.351035      6.614827
  H      -2.333346      7.845398      5.029400
  H      -3.890562      8.473482      4.471279
  H      -2.410015      7.364608      2.685542
  H      -2.640820      5.834095      3.513148
  H      -7.491547      7.526179      2.427773
  H      -6.628862      4.422670     -0.860529
  H      -4.586596      3.201469     -1.618245
  H      -2.407358      3.578770     -0.472266
  H      -2.251519      5.136072      1.441327
  H      -6.450535      1.628230      7.498948
  H      -6.665633      2.216568      5.849990
  H      -6.329917      4.014772      8.314978
  H      -6.653474      4.581815      6.677768
  H      -8.524938      2.704079      8.241854
  H      -8.651366      4.445595      8.331294
  H      -9.246883      4.204843      3.252708
  H     -13.509118      3.395092      4.732277
  H     -14.526887      2.889844      6.960766
  H     -13.087295      2.736114      8.984990
  H     -10.650792      3.072737      8.820976
  N      -5.116531      4.103871      4.107625
  N      -6.449832      3.905018      3.668309
  H      -7.178848      3.898241      4.449101
  H      -6.500500      2.951575      3.111181
  H      -6.713026      4.656225      3.010284
100
Coordinates from ORCA-job orca E -6259.560311609573
  N      -2.616016      2.654009      4.165226
  Mo     -3.851311      3.698991      5.342557
  N      -4.767664      2.579924      6.683138
  C      -4.027269      2.057888      7.832773
  C      -2.544639      1.975647      7.496379
  N      -2.128829      3.204303      6.780135
  C      -0.944440      3.005593      5.916180
  C      -1.338742      2.189220      4.698201
  C      -1.974088      4.368922      7.685253
  C      -2.213808      5.649896      6.899968
  N      -3.405514      5.484680      6.071717
  H      -0.547714      2.281594      3.930141
  H      -1.380650      1.113315      4.960795
  H      -0.607410      4.001878      5.598083
  H      -0.118796      2.527112      6.473010
  H      -2.357950      6.483659      7.610909
  H      -1.324912      5.913865      6.295243
  H      -2.740763      4.280116      8.466621
  H      -0.983082      4.358036      8.172336
  H      -4.385606      1.046919      8.099088
  H      -4.191009      2.690092      8.728978
  H      -2.378421      1.129258      6.816616
  H      -1.930087      1.815938      8.399513
  C      -2.981014      1.953304      2.936499
  C      -3.476754      0.507959      3.134094
  C      -4.970003      0.380628      3.512152
  C      -5.876399      0.524478      2.324652
  N      -6.533321      1.671482      2.160100
  C      -7.317459      1.830601      1.055943
  N      -7.507682      0.960290      0.094532
  C      -6.863217     -0.240066      0.230292
  C      -7.039290     -1.226537     -0.768439
  C      -6.409280     -2.448102     -0.649596
  C      -5.587669     -2.730427      0.466902
  C      -5.395908     -1.785124      1.453552
  C      -6.023908     -0.517226      1.357355
  C      -4.058737      6.739427      5.695981
  C      -3.301351      7.550352      4.632004
  C      -3.095360      6.802240      3.316237
  C      -4.333790      6.565927      2.494239
  N      -5.448099      7.210837      2.822703
  C      -6.566205      6.942424      2.097024
  N      -6.698698      6.083999      1.101680
  C      -5.548260      5.448056      0.702754
  C      -5.602861      4.541708     -0.382380
  C      -4.455836      3.894905     -0.800264
  C      -3.222295      4.131162     -0.153489
  C      -3.145798      5.004896      0.914426
  C      -4.305265      5.676753      1.369498
  C      -6.219230      2.473945      6.827463
  C      -6.855434      3.755631      7.383113
  C      -8.347303      3.624005      7.676466
  C      -9.283956      3.624604      6.496072
  N      -8.807786      3.872319      5.278296
  C      -9.696114      3.919686      4.242165
  N     -10.993859      3.739699      4.291420
  C     -11.516552      3.467694      5.527489
  C     -12.910159      3.259342      5.651781
  C     -13.459527      2.995465      6.889955
  C     -12.641009      2.930656      8.041380
  C     -11.277887      3.127753      7.946369
  C     -10.683798      3.398845      6.688405
  H      -2.090859      1.908660      2.280195
  H      -3.741274      2.543467      2.407579
  H      -2.875428      0.019530      3.915534
  H      -3.289937     -0.057214      2.208006
  H      -5.140926     -0.603345      3.973851
  H      -5.229183      1.136883      4.267296
  H      -7.830045      2.794601      0.978067
  H      -7.683901     -0.990020     -1.615661
  H      -6.547701     -3.208850     -1.419346
  H      -5.104911     -3.705283      0.546544
  H      -4.762752     -2.016277      2.310157
  H      -5.064593      6.511962      5.325906
  H      -4.172843      7.367069      6.600292
  H      -2.315332      7.845507      5.022960
  H      -3.866312      8.476602      4.451938
  H      -2.374056      7.350611      2.684611
  H      -2.623459      5.824783      3.516164
  H      -7.465062      7.491565      2.396645
  H      -6.561937      4.383243     -0.877302
  H      -4.499521      3.200306     -1.640779
  H      -2.325098      3.615921     -0.500046
  H      -2.193106      5.170302      1.417179
  H      -6.458523      1.632539      7.504259
  H      -6.673681      2.222092      5.855881
  H      -6.341736      4.022096      8.319427
  H      -6.672852      4.584861      6.682110
  H      -8.530879      2.707154      8.262546
  H      -8.666694      4.448947      8.336506
  H      -9.265549      4.141210      3.258931
  H     -13.520938      3.317398      4.750173
  H     -14.534649      2.836462      6.985952
  H     -13.093670      2.723368      9.011978
  H     -10.660175      3.076640      8.842932
  N      -5.124945      4.116204      4.115770
  N      -6.458801      3.918758      3.676746
  H      -7.186765      3.898168      4.457733
  H      -6.508429      2.972386      3.105648
  H      -6.724724      4.677962      3.028995
100
Coordinates from ORCA-job orca E -6259.560485606460
  N      -2.623791      2.658441      4.174696
  Mo     -3.857682      3.706394      5.349588
  N      -4.774301      2.591624      6.694039
  C      -4.037394      2.074913      7.847447
  C      -2.555046      1.987589      7.513544
  N      -2.136066      3.210069      6.789212
  C      -0.952965      3.000707      5.926080
  C      -1.352924      2.181789      4.711432
  C      -1.977464      4.379772      7.686658
  C      -2.210896      5.657780      6.894475
  N      -3.402197      5.493982      6.065626
  H      -0.559518      2.262667      3.944560
  H      -1.406198      1.107413      4.978483
  H      -0.611155      3.993720      5.602908
  H      -0.129967      2.520442      6.485283
  H      -2.352999      6.495074      7.601676
  H      -1.320275      5.914762      6.289344
  H      -2.744654      4.297801      8.468252
  H      -0.986368      4.368045      8.173766
  H      -4.398869      1.066590      8.119178
  H      -4.200618      2.713395      8.739371
  H      -2.388888      1.135768      6.840556
  H      -1.941991      1.834095      8.418788
  C      -2.981035      1.980379      2.931163
  C      -3.479340      0.533673      3.101295
  C      -4.969258      0.406528      3.494644
  C      -5.886800      0.550197      2.315665
  N      -6.542418      1.698813      2.154626
  C      -7.335509      1.857978      1.056720
  N      -7.536764      0.985728      0.099343
  C      -6.895001     -0.216468      0.232587
  C      -7.083400     -1.204974     -0.761768
  C      -6.454922     -2.427700     -0.646245
  C      -5.622447     -2.709060      0.462382
  C      -5.419172     -1.761918      1.444972
  C      -6.045817     -0.493265      1.352287
  C      -4.048883      6.750211      5.682269
  C      -3.279652      7.551211      4.618370
  C      -3.067754      6.793074      3.309748
  C      -4.299331      6.560501      2.476527
  N      -5.415229      7.208725      2.792630
  C      -6.528198      6.935153      2.061579
  N      -6.654976      6.066587      1.074073
  C      -5.501559      5.431062      0.684343
  C      -5.548774      4.518962     -0.396374
  C      -4.397144      3.877345     -0.808912
  C      -3.166660      4.122850     -0.159833
  C      -3.098004      5.000727      0.905206
  C      -4.261969      5.668337      1.354187
  C      -6.225411      2.479748      6.834270
  C      -6.869265      3.758254      7.389308
  C      -8.359514      3.619508      7.687359
  C      -9.297630      3.599828      6.508549
  N      -8.823412      3.832389      5.287328
  C      -9.711854      3.855349      4.250540
  N     -11.007979      3.665467      4.302475
  C     -11.529072      3.411489      5.543039
  C     -12.921225      3.195495      5.670784
  C     -13.468826      2.949524      6.913285
  C     -12.650074      2.910385      8.065784
  C     -11.288363      3.115061      7.967518
  C     -10.695996      3.368579      6.704993
  H      -2.086692      1.949648      2.279820
  H      -3.736757      2.580869      2.407719
  H      -2.870112      0.025876      3.864210
  H      -3.305323     -0.010183      2.159976
  H      -5.137386     -0.575674      3.960557
  H      -5.217828      1.166273      4.249923
  H      -7.845231      2.823695      0.980311
  H      -7.735409     -0.969043     -1.603460
  H      -6.602626     -3.189893     -1.412837
  H      -5.140409     -3.684503      0.539046
  H      -4.776908     -1.991730      2.295203
  H      -5.052471      6.524529      5.305909
  H      -4.166321      7.382554      6.582759
  H      -2.294807      7.843783      5.014218
  H      -3.837957      8.479679      4.428507
  H      -2.333549      7.328939      2.682546
  H      -2.609661      5.810897      3.520156
  H      -7.428306      7.488606      2.349674
  H      -6.505674      4.353604     -0.893228
  H      -4.434134      3.179533     -1.647060
  H      -2.265697      3.611823     -0.502741
  H      -2.147341      5.173029      1.409233
  H      -6.463594      1.636605      7.509406
  H      -6.676115      2.227211      5.861337
  H      -6.354269      4.029034      8.323700
  H      -6.693496      4.587343      6.686097
  H      -8.535607      2.706707      8.282106
  H      -8.683142      4.448608      8.339937
  H      -9.282438      4.063187      3.263771
  H     -13.532150      3.233581      4.768215
  H     -14.542842      2.784852      7.012000
  H     -13.101466      2.716885      9.039800
  H     -10.670506      3.083373      8.864890
  N      -5.132113      4.126884      4.124557
  N      -6.466360      3.924278      3.687121
  H      -7.192735      3.893438      4.468478
  H      -6.511246      2.981361      3.108664
  H      -6.737501      4.686485      3.044859
100
Coordinates from ORCA-job orca E -6259.560603799045
  N      -2.640357      2.655771      4.187513
  Mo     -3.867510      3.714868      5.359125
  N      -4.785282      2.608523      6.711450
  C      -4.047442      2.096782      7.866681
  C      -2.566189      1.999296      7.529935
  N      -2.143063      3.214412      6.796660
  C      -0.962868      2.993153      5.932234
  C      -1.371231      2.173015      4.721389
  C      -1.977174      4.388833      7.687304
  C      -2.203703      5.663302      6.888239
  N      -3.397715      5.503101      6.062911
  H      -0.579401      2.246806      3.952035
  H      -1.429977      1.099513      4.990979
  H      -0.614759      3.982539      5.604882
  H      -0.142426      2.509118      6.491931
  H      -2.338074      6.506330      7.590045
  H      -1.312558      5.908477      6.279023
  H      -2.743789      4.314513      8.470139
  H      -0.985090      4.374914      8.172525
  H      -4.413966      1.092659      8.146611
  H      -4.204009      2.743082      8.754235
  H      -2.405525      1.141615      6.863105
  H      -1.951862      1.849923      8.435087
  C      -2.989029      2.004861      2.927284
  C      -3.485486      0.554133      3.061044
  C      -4.970695      0.420183      3.471191
  C      -5.900280      0.563594      2.301815
  N      -6.556912      1.712551      2.145370
  C      -7.359356      1.871038      1.053961
  N      -7.571164      0.996732      0.100701
  C      -6.929514     -0.205853      0.230178
  C      -7.129182     -1.196283     -0.760022
  C      -6.498867     -2.418612     -0.649524
  C      -5.653038     -2.697212      0.449642
  C      -5.439402     -1.748360      1.428461
  C      -6.068477     -0.480770      1.341247
  C      -4.035873      6.762149      5.672966
  C      -3.258589      7.556231      4.608365
  C      -3.039226      6.791037      3.305509
  C      -4.265295      6.556108      2.465027
  N      -5.387189      7.194634      2.778683
  C      -6.497456      6.906686      2.049372
  N      -6.617049      6.028023      1.069926
  C      -5.456937      5.405338      0.679989
  C      -5.496344      4.485723     -0.394467
  C      -4.337342      3.859908     -0.810331
  C      -3.106557      4.130348     -0.171649
  C      -3.045725      5.014483      0.888912
  C      -4.217990      5.663955      1.342755
  C      -6.236066      2.495096      6.848184
  C      -6.882638      3.773307      7.400686
  C      -8.371831      3.633971      7.701596
  C      -9.308335      3.592056      6.522146
  N      -8.833893      3.816212      5.299590
  C      -9.719033      3.812411      4.259810
  N     -11.012465      3.605070      4.310346
  C     -11.534327      3.362900      5.552927
  C     -12.924115      3.131290      5.679744
  C     -13.472240      2.896546      6.924057
  C     -12.656655      2.884183      8.079489
  C     -11.297272      3.104063      7.982311
  C     -10.704383      3.346951      6.717880
  H      -2.091287      1.994671      2.279833
  H      -3.743679      2.616172      2.414682
  H      -2.866812      0.024270      3.801074
  H      -3.323969      0.037712      2.102170
  H      -5.131797     -0.562661      3.937783
  H      -5.210660      1.179549      4.229846
  H      -7.868163      2.837412      0.979585
  H      -7.790394     -0.962128     -1.594976
  H      -6.655137     -3.182239     -1.412970
  H      -5.168768     -3.671874      0.521961
  H      -4.786182     -1.975736      2.270998
  H      -5.038438      6.539367      5.292537
  H      -4.154288      7.398406      6.570284
  H      -2.275674      7.849681      5.008389
  H      -3.814069      8.484687      4.410256
  H      -2.295538      7.317575      2.681953
  H      -2.590322      5.806299      3.525308
  H      -7.402546      7.453841      2.333967
  H      -6.453601      4.302564     -0.884309
  H      -4.368094      3.156680     -1.644162
  H      -2.199248      3.633546     -0.518694
  H      -2.093868      5.205376      1.384507
  H      -6.476027      1.651747      7.522642
  H      -6.682661      2.241211      5.873787
  H      -6.366024      4.046056      8.333703
  H      -6.709378      4.601755      6.695926
  H      -8.544850      2.729869      8.310297
  H      -8.698143      4.472250      8.341070
  H      -9.288505      4.010742      3.271596
  H     -13.532676      3.148634      4.774945
  H     -14.544451      2.719949      7.022083
  H     -13.108697      2.699280      9.054865
  H     -10.681669      3.092828      8.881750
  N      -5.142011      4.141242      4.135604
  N      -6.476728      3.935178      3.700225
  H      -7.200898      3.885942      4.482380
  H      -6.515691      3.000508      3.106361
  H      -6.755902      4.705119      3.070593
100
Coordinates from ORCA-job orca E -6259.560686552954
  N      -2.651852      2.655141      4.192037
  Mo     -3.875387      3.722287      5.361187
  N      -4.796430      2.625096      6.719901
  C      -4.060804      2.117940      7.878697
  C      -2.580488      2.009324      7.541662
  N      -2.151266      3.217326      6.800967
  C      -0.973502      2.983960      5.937131
  C      -1.388704      2.161395      4.730114
  C      -1.978858      4.396399      7.684121
  C      -2.195689      5.666557      6.876528
  N      -3.391443      5.510869      6.052437
  H      -0.594593      2.223817      3.962123
  H      -1.457341      1.089625      5.004520
  H      -0.618745      3.969263      5.604709
  H      -0.156174      2.496894      6.498734
  H      -2.322128      6.515078      7.573126
  H      -1.303086      5.899264      6.264570
  H      -2.746902      4.331871      8.466327
  H      -0.987130      4.380175      8.170072
  H      -4.433445      1.118433      8.166740
  H      -4.211793      2.772004      8.761374
  H      -2.425121      1.146555      6.880089
  H      -1.966614      1.861932      8.447508
  C      -2.995015      2.020503      2.921733
  C      -3.486745      0.566620      3.039114
  C      -4.968578      0.429594      3.460348
  C      -5.907277      0.576059      2.299489
  N      -6.563118      1.726529      2.151851
  C      -7.372454      1.890099      1.066477
  N      -7.590633      1.019932      0.110739
  C      -6.949788     -0.184025      0.231328
  C      -7.156233     -1.170296     -0.761609
  C      -6.527085     -2.394048     -0.659210
  C      -5.675744     -2.678205      0.434252
  C      -5.455123     -1.733338      1.415429
  C      -6.082725     -0.464476      1.336315
  C      -4.018282      6.774272      5.658570
  C      -3.226864      7.561136      4.599351
  C      -3.003836      6.790391      3.300882
  C      -4.226935      6.564251      2.453752
  N      -5.344402      7.214041      2.758963
  C      -6.455033      6.929759      2.028760
  N      -6.579531      6.042821      1.057629
  C      -5.423327      5.408149      0.675931
  C      -5.467559      4.478359     -0.389678
  C      -4.312274      3.840990     -0.798409
  C      -3.079881      4.111212     -0.162391
  C      -3.014699      5.004881      0.889855
  C      -4.183479      5.664229      1.337904
  C      -6.246962      2.511941      6.854721
  C      -6.896746      3.791321      7.399372
  C      -8.384257      3.646896      7.704879
  C      -9.320149      3.568188      6.526610
  N      -8.846357      3.763275      5.298891
  C      -9.729507      3.719719      4.258353
  N     -11.020844      3.500536      4.313255
  C     -11.542268      3.290256      5.561708
  C     -12.930050      3.049523      5.693628
  C     -13.477688      2.845837      6.943669
  C     -12.663571      2.874324      8.099835
  C     -11.306093      3.103649      7.997769
  C     -10.714001      3.315449      6.727539
  H      -2.096207      2.025949      2.275941
  H      -3.751285      2.636494      2.416913
  H      -2.862719      0.028313      3.768152
  H      -3.331216      0.062434      2.072861
  H      -5.126612     -0.553605      3.927209
  H      -5.200735      1.188875      4.221637
  H      -7.880277      2.857299      0.998856
  H      -7.821841     -0.932319     -1.591981
  H      -6.688888     -3.154552     -1.424607
  H      -5.192819     -3.653990      0.500276
  H      -4.798172     -1.964951      2.253846
  H      -5.019856      6.559453      5.270890
  H      -4.137068      7.411322      6.555122
  H      -2.245366      7.848498      5.007342
  H      -3.773453      8.493270      4.394253
  H      -2.249347      7.305552      2.680982
  H      -2.567745      5.801466      3.528160
  H      -7.355875      7.488098      2.304823
  H      -6.425740      4.297110     -0.878434
  H      -4.346815      3.129492     -1.625111
  H      -2.175239      3.606470     -0.504901
  H      -2.061369      5.196614      1.382483
  H      -6.487320      1.670804      7.532002
  H      -6.691095      2.253260      5.880716
  H      -6.379453      4.073745      8.329183
  H      -6.728601      4.614881      6.687714
  H      -8.549857      2.755827      8.334356
  H      -8.716269      4.497431      8.325081
  H      -9.298719      3.891903      3.265788
  H     -13.537425      3.035142      4.787994
  H     -14.548383      2.662405      7.045720
  H     -13.115283      2.713855      9.079694
  H     -10.691448      3.124419      8.897687
  N      -5.147754      4.153525      4.137066
  N      -6.484647      3.944614      3.704852
  H      -7.208957      3.902423      4.486110
  H      -6.527268      3.006619      3.115430
  H      -6.763314      4.711003      3.070676
100
Coordinates from ORCA-job orca E -6259.560722750232
  N      -2.657710      2.648432      4.199743
  Mo     -3.879760      3.720600      5.366432
  N      -4.801059      2.634778      6.733105
  C      -4.071798      2.142412      7.900706
  C      -2.592736      2.022376      7.566367
  N      -2.155811      3.218982      6.809849
  C      -0.981618      2.964151      5.948107
  C      -1.407393      2.134127      4.748160
  C      -1.974461      4.407538      7.677731
  C      -2.183586      5.669753      6.855861
  N      -3.382773      5.512914      6.036426
  H      -0.608690      2.173243      3.983411
  H      -1.497381      1.066975      5.034380
  H      -0.616665      3.942016      5.604765
  H      -0.169497      2.474266      6.514701
  H      -2.302008      6.526372      7.543870
  H      -1.290903      5.889623      6.238985
  H      -2.743916      4.358330      8.459780
  H      -0.983214      4.390344      8.164825
  H      -4.450105      1.149596      8.204261
  H      -4.220320      2.810979      8.772965
  H      -2.441711      1.150672      6.915441
  H      -1.980982      1.882322      8.475006
  C      -2.999586      2.036794      2.918130
  C      -3.484815      0.579607      3.008540
  C      -4.964609      0.436099      3.437446
  C      -5.909942      0.582609      2.282454
  N      -6.571262      1.731110      2.143053
  C      -7.385283      1.896482      1.061373
  N      -7.601680      1.030764      0.101120
  C      -6.954685     -0.170696      0.213045
  C      -7.157177     -1.151792     -0.785789
  C      -6.521255     -2.372848     -0.691785
  C      -5.667127     -2.659446      0.398886
  C      -5.450039     -1.719506      1.385586
  C      -6.084089     -0.453490      1.314628
  C      -4.009770      6.777580      5.645580
  C      -3.218398      7.569888      4.589938
  C      -2.987224      6.801876      3.291060
  C      -4.210666      6.561725      2.447827
  N      -5.330224      7.207729      2.752398
  C      -6.444308      6.905796      2.034863
  N      -6.569454      6.004773      1.076993
  C      -5.410550      5.376327      0.692765
  C      -5.455072      4.434323     -0.361912
  C      -4.296669      3.805591     -0.775919
  C      -3.060866      4.097671     -0.156351
  C      -2.995514      5.002899      0.886056
  C      -4.167257      5.652562      1.339730
  C      -6.252008      2.524035      6.864661
  C      -6.903849      3.805221      7.401234
  C      -8.390231      3.656741      7.710816
  C      -9.328343      3.568877      6.535476
  N      -8.856589      3.757735      5.306172
  C      -9.739676      3.699310      4.266563
  N     -11.029845      3.473765      4.324137
  C     -11.549971      3.273755      5.574739
  C     -12.936793      3.028734      5.709709
  C     -13.482725      2.833666      6.961756
  C     -12.668025      2.875153      8.117144
  C     -11.311590      3.109110      8.012239
  C     -10.721199      3.312684      6.739797
  H      -2.101889      2.064236      2.271237
  H      -3.760505      2.658675      2.427607
  H      -2.855658      0.026681      3.721917
  H      -3.333397      0.096902      2.030790
  H      -5.116649     -0.547853      3.904782
  H      -5.195729      1.193701      4.200945
  H      -7.897499      2.861912      1.000170
  H      -7.825160     -0.912247     -1.613840
  H      -6.679878     -3.129368     -1.461826
  H      -5.179076     -3.633074      0.458235
  H      -4.790585     -1.952722      2.221678
  H      -5.010361      6.563541      5.255170
  H      -4.129834      7.410948      6.544445
  H      -2.240513      7.863481      5.002237
  H      -3.770043      8.498703      4.383422
  H      -2.238506      7.323191      2.669537
  H      -2.539810      5.818135      3.519696
  H      -7.347418      7.460526      2.310750
  H      -6.416053      4.237710     -0.839161
  H      -4.331221      3.085055     -1.594716
  H      -2.154041      3.600182     -0.503514
  H      -2.038878      5.212286      1.365113
  H      -6.494727      1.686217      7.545294
  H      -6.691931      2.259203      5.890343
  H      -6.385543      4.094717      8.328349
  H      -6.739041      4.625670      6.685062
  H      -8.551299      2.767800      8.344255
  H      -8.723449      4.508950      8.328340
  H      -9.309919      3.862900      3.272294
  H     -13.544763      3.003921      4.804664
  H     -14.552624      2.646773      7.066116
  H     -13.118628      2.721036      9.098525
  H     -10.696165      3.139708      8.911337
  N      -5.153376      4.153154      4.142992
  N      -6.490608      3.927770      3.711754
  H      -7.212623      3.871297      4.493802
  H      -6.526939      2.992188      3.117321
  H      -6.780242      4.694787      3.082902
100
Coordinates from ORCA-job orca E -6259.560756841218
  N      -2.666472      2.641556      4.200904
  Mo     -3.879978      3.725694      5.365838
  N      -4.806412      2.648080      6.736857
  C      -4.075103      2.158991      7.905324
  C      -2.597751      2.025471      7.566068
  N      -2.153256      3.216961      6.806506
  C      -0.981904      2.951952      5.943929
  C      -1.413730      2.127394      4.743050
  C      -1.961030      4.404932      7.673273
  C      -2.164637      5.665683      6.848695
  N      -3.370281      5.515644      6.036835
  H      -0.618446      2.168890      3.974803
  H      -1.502522      1.059390      5.026297
  H      -0.607057      3.926734      5.602566
  H      -0.174449      2.453510      6.509793
  H      -2.269769      6.527749      7.531873
  H      -1.274149      5.873252      6.224518
  H      -2.729346      4.362568      8.456750
  H      -0.968993      4.380990      8.158203
  H      -4.458251      1.170512      8.216894
  H      -4.215631      2.833943      8.773905
  H      -2.457437      1.151781      6.915384
  H      -1.984153      1.881093      8.472675
  C      -3.007318      2.039054      2.914728
  C      -3.490120      0.580713      2.992310
  C      -4.966568      0.435812      3.431874
  C      -5.919613      0.579062      2.282253
  N      -6.586347      1.724802      2.143923
  C      -7.409542      1.882962      1.068209
  N      -7.630693      1.013141      0.112855
  C      -6.978828     -0.185672      0.224007
  C      -7.186405     -1.171241     -0.769421
  C      -6.546523     -2.390175     -0.675715
  C      -5.683477     -2.670206      0.409547
  C      -5.461103     -1.725814      1.390749
  C      -6.098604     -0.461413      1.319659
  C      -3.989338      6.786299      5.653483
  C      -3.193040      7.579766      4.603149
  C      -2.966321      6.818647      3.299139
  C      -4.190745      6.593118      2.453188
  N      -5.301309      7.257007      2.750806
  C      -6.417415      6.968065      2.031078
  N      -6.553418      6.061997      1.079485
  C      -5.403226      5.412940      0.703656
  C      -5.458701      4.461489     -0.341964
  C      -4.308295      3.812679     -0.747280
  C      -3.069773      4.093559     -0.127869
  C      -2.994035      5.007388      0.906248
  C      -4.157737      5.677231      1.350972
  C      -6.257810      2.538195      6.868818
  C      -6.911049      3.823720      7.393026
  C      -8.398638      3.677195      7.698736
  C      -9.331505      3.559554      6.521883
  N      -8.857238      3.729908      5.290810
  C      -9.735470      3.639315      4.249378
  N     -11.023324      3.400820      4.306804
  C     -11.546232      3.221539      5.559280
  C     -12.930976      2.965154      5.694336
  C     -13.479390      2.788991      6.948103
  C     -12.669389      2.861027      8.105324
  C     -11.315092      3.106703      8.000433
  C     -10.722225      3.291766      6.726220
  H      -2.109693      2.073234      2.267917
  H      -3.771185      2.662294      2.430690
  H      -2.855175      0.018910      3.693532
  H      -3.347650      0.109099      2.007835
  H      -5.114588     -0.548562      3.899781
  H      -5.193787      1.192678      4.197413
  H      -7.925445      2.846431      1.007148
  H      -7.861691     -0.936745     -1.592930
  H      -6.709065     -3.150076     -1.441544
  H      -5.192581     -3.642424      0.469231
  H      -4.795014     -1.954696      2.222674
  H      -4.992140      6.581327      5.263662
  H      -4.104314      7.415975      6.555940
  H      -2.213645      7.864127      5.018082
  H      -3.739598      8.512919      4.402600
  H      -2.212704      7.337616      2.681493
  H      -2.526737      5.830363      3.523014
  H      -7.312413      7.539728      2.298759
  H      -6.420962      4.274707     -0.820460
  H      -4.351616      3.085050     -1.559376
  H      -2.168856      3.581274     -0.468939
  H      -2.035663      5.209406      1.384647
  H      -6.500406      1.705749      7.556019
  H      -6.696473      2.265041      5.896212
  H      -6.396339      4.121850      8.319403
  H      -6.743790      4.638317      6.670725
  H      -8.559664      2.802196      8.351207
  H      -8.736875      4.542055      8.295719
  H      -9.302745      3.782878      3.253132
  H     -13.535494      2.916280      4.787983
  H     -14.547656      2.593180      7.052396
  H     -13.122015      2.721317      9.087921
  H     -10.703082      3.161450      8.900651
  N      -5.146514      4.167582      4.138332
  N      -6.481829      3.945151      3.701543
  H      -7.205086      3.877079      4.481278
  H      -6.513612      3.013646      3.100960
  H      -6.773354      4.716433      3.079254
100
Coordinates from ORCA-job orca E -6259.560777754440
  N      -2.678503      2.633127      4.203238
  Mo     -3.887370      3.723951      5.369535
  N      -4.810114      2.651217      6.747623
  C      -4.069275      2.164672      7.913208
  C      -2.592812      2.027314      7.564340
  N      -2.151105      3.217738      6.802229
  C      -0.983244      2.952155      5.934519
  C      -1.419318      2.126284      4.737414
  C      -1.952618      4.406785      7.667093
  C      -2.160207      5.665048      6.839675
  N      -3.372677      5.515012      6.036847
  H      -0.629799      2.171870      3.963450
  H      -1.500239      1.058041      5.022011
  H      -0.608202      3.925920      5.590887
  H      -0.173703      2.453166      6.497050
  H      -2.256892      6.530981      7.519148
  H      -1.274380      5.867003      6.207396
  H      -2.716204      4.368327      8.455447
  H      -0.957900      4.382472      8.146296
  H      -4.450477      1.177236      8.230397
  H      -4.203527      2.841559      8.781153
  H      -2.459429      1.153599      6.912172
  H      -1.972736      1.881333      8.466106
  C      -3.020814      2.027346      2.918816
  C      -3.505064      0.569037      3.005888
  C      -4.981891      0.423645      3.441499
  C      -5.930681      0.578666      2.290163
  N      -6.590160      1.728358      2.155610
  C      -7.408870      1.896999      1.078226
  N      -7.633632      1.033043      0.118463
  C      -6.988600     -0.169952      0.224958
  C      -7.199266     -1.149430     -0.773817
  C      -6.565666     -2.371932     -0.685159
  C      -5.705855     -2.661721      0.400111
  C      -5.480676     -1.723557      1.386642
  C      -6.112321     -0.455757      1.321175
  C      -3.994211      6.783603      5.653267
  C      -3.204021      7.586168      4.605917
  C      -2.968308      6.830751      3.299626
  C      -4.191091      6.585764      2.457223
  N      -5.314354      7.223536      2.763732
  C      -6.427292      6.914176      2.047402
  N      -6.548562      6.008716      1.093175
  C      -5.386538      5.386096      0.709108
  C      -5.426182      4.437559     -0.340062
  C      -4.263411      3.817534     -0.755055
  C      -3.027616      4.125602     -0.143251
  C      -2.966362      5.035984      0.894777
  C      -4.143576      5.675519      1.350883
  C      -6.262184      2.542898      6.883109
  C      -6.910324      3.836621      7.394626
  C      -8.399414      3.701133      7.698675
  C      -9.328254      3.563924      6.520115
  N      -8.851542      3.726547      5.288679
  C      -9.726327      3.623987      4.245463
  N     -11.013202      3.379208      4.301410
  C     -11.538131      3.205655      5.553987
  C     -12.921706      2.941986      5.687217
  C     -13.472616      2.772007      6.940852
  C     -12.666249      2.858090      8.099675
  C     -11.313147      3.111254      7.996590
  C     -10.717834      3.289524      6.722763
  H      -2.126699      2.057005      2.267024
  H      -3.786738      2.651571      2.438075
  H      -2.870995      0.013032      3.712418
  H      -3.361814      0.089610      2.025270
  H      -5.133713     -0.564715      3.899682
  H      -5.210159      1.173053      4.214132
  H      -7.920242      2.863160      1.021753
  H      -7.871748     -0.907224     -1.597393
  H      -6.730490     -3.127034     -1.455225
  H      -5.219710     -3.636607      0.455623
  H      -4.817119     -1.959890      2.218450
  H      -4.996264      6.574804      5.263142
  H      -4.113070      7.411166      6.557061
  H      -2.227460      7.879133      5.021386
  H      -3.760193      8.514109      4.408139
  H      -2.226924      7.366432      2.681104
  H      -2.509788      5.850629      3.519186
  H      -7.333464      7.464102      2.322712
  H      -6.386514      4.230598     -0.814065
  H      -4.295550      3.092276     -1.569864
  H      -2.116784      3.637321     -0.493296
  H      -2.009154      5.260490      1.366334
  H      -6.504948      1.719085      7.580401
  H      -6.703253      2.259497      5.914766
  H      -6.396039      4.141032      8.319142
  H      -6.738071      4.643596      6.665222
  H      -8.564225      2.840151      8.368647
  H      -8.737811      4.578348      8.277254
  H      -9.291820      3.763237      3.248972
  H     -13.523458      2.882596      4.779674
  H     -14.539953      2.570481      7.043744
  H     -13.120760      2.723232      9.082087
  H     -10.704026      3.177178      8.898040
  N      -5.154003      4.164718      4.141463
  N      -6.489719      3.945097      3.706617
  H      -7.214160      3.891572      4.486667
  H      -6.527462      3.005782      3.119816
  H      -6.776063      4.708689      3.073185
100
Coordinates from ORCA-job orca E -6259.560823280197
  N      -2.672262      2.637085      4.198942
  Mo     -3.883933      3.724086      5.365335
  N      -4.809531      2.651468      6.740847
  C      -4.074201      2.165359      7.908793
  C      -2.597907      2.028119      7.566102
  N      -2.152972      3.217560      6.803562
  C      -0.984262      2.947816      5.938582
  C      -1.420642      2.120117      4.741825
  C      -1.953301      4.407406      7.665632
  C      -2.158753      5.665329      6.836614
  N      -3.370434      5.515107      6.033384
  H      -0.626380      2.156367      3.972280
  H      -1.512517      1.053779      5.030160
  H      -0.606808      3.919997      5.592885
  H      -0.176662      2.448453      6.503604
  H      -2.256652      6.530905      7.516475
  H      -1.272262      5.868405      6.205424
  H      -2.717228      4.371781      8.453904
  H      -0.959016      4.382334      8.145768
  H      -4.457165      1.178359      8.225469
  H      -4.211878      2.843220      8.775502
  H      -2.461983      1.153616      6.915500
  H      -1.981434      1.883027      8.470553
  C      -3.015434      2.030297      2.915424
  C      -3.497207      0.571345      3.001264
  C      -4.973440      0.422586      3.438427
  C      -5.923668      0.573826      2.287817
  N      -6.583562      1.723164      2.152089
  C      -7.401422      1.891152      1.073915
  N      -7.623863      1.027103      0.113747
  C      -6.977964     -0.175518      0.221218
  C      -7.185750     -1.154769     -0.778338
  C      -6.550895     -2.376620     -0.689106
  C      -5.692714     -2.666001      0.397555
  C      -5.470390     -1.728013      1.384893
  C      -6.103330     -0.460940      1.318842
  C      -3.992969      6.784084      5.652540
  C      -3.201872      7.586328      4.605502
  C      -2.968147      6.831154      3.298790
  C      -4.192256      6.589524      2.457019
  N      -5.310230      7.238840      2.759285
  C      -6.425174      6.935294      2.043905
  N      -6.553248      6.026762      1.093468
  C      -5.396141      5.393284      0.712271
  C      -5.443090      4.441210     -0.333347
  C      -4.285315      3.809457     -0.744556
  C      -3.047784      4.108327     -0.131889
  C      -2.979859      5.021765      0.902976
  C      -4.151483      5.673995      1.354633
  C      -6.261515      2.544770      6.875240
  C      -6.910411      3.836082      7.391232
  C      -8.398602      3.695546      7.697809
  C      -9.330369      3.567036      6.520905
  N      -8.856414      3.737301      5.289480
  C      -9.734058      3.643484      4.248012
  N     -11.021119      3.400002      4.305401
  C     -11.543119      3.218167      5.557947
  C     -12.926666      2.955194      5.692783
  C     -13.474715      2.777217      6.946515
  C     -12.665433      2.854385      8.103910
  C     -11.312304      3.106717      7.999276
  C     -10.719833      3.293226      6.725230
  H      -2.120529      2.060425      2.264698
  H      -3.781702      2.652420      2.432638
  H      -2.861525      0.014658      3.705749
  H      -3.354106      0.094233      2.019440
  H      -5.121789     -0.565516      3.898291
  H      -5.204107      1.172345      4.209947
  H      -7.912828      2.857369      1.016519
  H      -7.856902     -0.912729     -1.603074
  H      -6.713266     -3.131502     -1.459938
  H      -5.205579     -3.640340      0.453473
  H      -4.807796     -1.963873      2.217666
  H      -4.995346      6.576403      5.262880
  H      -4.110470      7.410611      6.557226
  H      -2.224615      7.877371      5.020796
  H      -3.756303      8.515458      4.408294
  H      -2.227722      7.367507      2.679634
  H      -2.509276      5.851062      3.517268
  H      -7.327158      7.493199      2.316931
  H      -6.404600      4.240537     -0.807730
  H      -4.322713      3.081729     -1.556940
  H      -2.141229      3.609560     -0.478098
  H      -2.022068      5.238064      1.376554
  H      -6.504609      1.719018      7.570083
  H      -6.702610      2.264761      5.905882
  H      -6.395205      4.138769      8.315798
  H      -6.740772      4.645681      6.664033
  H      -8.559786      2.827832      8.359951
  H      -8.737212      4.566472      8.285633
  H      -9.302543      3.790696      3.251634
  H     -13.530761      2.902754      4.786345
  H     -14.542051      2.576216      7.050600
  H     -13.117738      2.713177      9.086446
  H     -10.700970      3.165464      8.899724
  N      -5.152118      4.164660      4.138700
  N      -6.489565      3.942314      3.707451
  H      -7.212166      3.886674      4.489037
  H      -6.529120      3.004295      3.118940
  H      -6.778240      4.706473      3.075349
100
Coordinates from ORCA-job orca E -6259.560839847423
  N      -2.676339      2.638589      4.196586
  Mo     -3.885412      3.726638      5.364300
  N      -4.811416      2.657552      6.742196
  C      -4.076692      2.175427      7.911753
  C      -2.601511      2.033287      7.568652
  N      -2.153660      3.219035      6.801734
  C      -0.987116      2.941535      5.936154
  C      -1.428896      2.113288      4.741286
  C      -1.947873      4.410805      7.659335
  C      -2.151708      5.666796      6.826789
  N      -3.366674      5.517965      6.028273
  H      -0.634144      2.142023      3.971977
  H      -1.528491      1.048529      5.032642
  H      -0.605135      3.910932      5.587673
  H      -0.181586      2.439460      6.501706
  H      -2.244423      6.534886      7.504201
  H      -1.266874      5.864876      6.191685
  H      -2.709952      4.380635      8.449679
  H      -0.952528      4.383750      8.137199
  H      -4.461541      1.190877      8.233798
  H      -4.212318      2.858079      8.775055
  H      -2.468614      1.156462      6.920528
  H      -1.984743      1.889225      8.473071
  C      -3.021380      2.037401      2.910806
  C      -3.502754      0.578317      2.990187
  C      -4.976709      0.427705      3.434581
  C      -5.932048      0.577524      2.287976
  N      -6.594140      1.725872      2.154588
  C      -7.416405      1.892409      1.079464
  N      -7.640649      1.028152      0.119934
  C      -6.992665     -0.173590      0.225293
  C      -7.202322     -1.153027     -0.773668
  C      -6.565494     -2.374016     -0.686593
  C      -5.703506     -2.662321      0.397323
  C      -5.479334     -1.724062      1.384009
  C      -6.114051     -0.457824      1.319985
  C      -3.990071      6.787536      5.651043
  C      -3.197335      7.593454      4.607874
  C      -2.958194      6.841076      3.300448
  C      -4.180171      6.594854      2.456892
  N      -5.298754      7.245541      2.753907
  C      -6.412807      6.936416      2.039787
  N      -6.539284      6.021825      1.094915
  C      -5.381060      5.388260      0.717324
  C      -5.425948      4.431245     -0.323868
  C      -4.266901      3.799574     -0.731473
  C      -3.030264      4.102986     -0.119287
  C      -2.964448      5.021055      0.911546
  C      -4.137235      5.673832      1.359178
  C      -6.263196      2.550247      6.876691
  C      -6.913611      3.841307      7.391451
  C      -8.401663      3.698531      7.698056
  C      -9.332509      3.564415      6.521167
  N      -8.858216      3.734404      5.289917
  C      -9.734153      3.633957      4.247773
  N     -11.019998      3.383909      4.304283
  C     -11.542378      3.202234      5.556704
  C     -12.924627      2.932071      5.690558
  C     -13.473112      2.753852      6.944032
  C     -12.665548      2.837754      8.102171
  C     -11.313691      3.097054      7.998540
  C     -10.720767      3.284175      6.724772
  H      -2.127036      2.070764      2.259521
  H      -3.788802      2.660924      2.431741
  H      -2.863014      0.016933      3.687182
  H      -3.365340      0.107826      2.004319
  H      -5.121775     -0.560519      3.895164
  H      -5.205007      1.177219      4.207087
  H      -7.929265      2.857956      1.023745
  H      -7.876469     -0.911744     -1.596185
  H      -6.729262     -3.129068     -1.456969
  H      -5.214862     -3.635996      0.451643
  H      -4.813644     -1.959102      2.214555
  H      -4.991362      6.579889      5.258701
  H      -4.110129      7.411238      6.557385
  H      -2.221649      7.885446      5.026180
  H      -3.752876      8.521977      4.410961
  H      -2.220586      7.383336      2.682977
  H      -2.493874      5.863438      3.517792
  H      -7.315270      7.495993      2.307831
  H      -6.386722      4.226766     -0.798082
  H      -4.302615      3.068285     -1.540725
  H      -2.122761      3.604037     -0.462737
  H      -2.007466      5.240891      1.384969
  H      -6.505600      1.725121      7.572540
  H      -6.704031      2.269021      5.907585
  H      -6.398992      4.145432      8.315882
  H      -6.744955      4.650565      6.663583
  H      -8.560455      2.831982      8.362293
  H      -8.742652      4.570029      8.283637
  H      -9.302338      3.780986      3.251500
  H     -13.527432      2.874355      4.783583
  H     -14.539459      2.547322      7.047335
  H     -13.118209      2.696089      9.084476
  H     -10.703730      3.160743      8.899586
  N      -5.152820      4.170763      4.137867
  N      -6.490159      3.947112      3.706212
  H      -7.212333      3.888935      4.487620
  H      -6.529083      3.009692      3.117191
  H      -6.779969      4.711315      3.074557
100
Coordinates from ORCA-job orca E -6259.560865738834
  N      -2.685117      2.630989      4.194949
  Mo     -3.888487      3.727853      5.360679
  N      -4.818160      2.671628      6.746002
  C      -4.084056      2.200533      7.920209
  C      -2.611270      2.043764      7.576446
  N      -2.154608      3.219357      6.798651
  C      -0.992264      2.922845      5.933167
  C      -1.444613      2.092792      4.743070
  C      -1.933171      4.415669      7.644731
  C      -2.132990      5.665385      6.802010
  N      -3.356741      5.519459      6.016829
  H      -0.649702      2.107162      3.973520
  H      -1.557708      1.031351      5.041345
  H      -0.598729      3.885257      5.578430
  H      -0.192425      2.414331      6.501040
  H      -2.211113      6.541074      7.471442
  H      -1.252935      5.848945      6.156038
  H      -2.689341      4.399913      8.441274
  H      -0.934641      4.384255      8.115773
  H      -4.474674      1.223221      8.257133
  H      -4.213264      2.896508      8.773933
  H      -2.486798      1.160705      6.935031
  H      -1.994099      1.902081      8.480990
  C      -3.031939      2.036242      2.906440
  C      -3.515346      0.577712      2.980109
  C      -4.987410      0.428141      3.430977
  C      -5.945196      0.579423      2.286579
  N      -6.601342      1.730731      2.150881
  C      -7.423941      1.898519      1.076002
  N      -7.653687      1.032875      0.119111
  C      -7.012302     -0.172249      0.227554
  C      -7.228284     -1.153261     -0.768485
  C      -6.597425     -2.377168     -0.679057
  C      -5.735298     -2.666772      0.404397
  C      -5.505419     -1.727070      1.388382
  C      -6.133983     -0.457982      1.321959
  C      -3.982305      6.790573      5.649119
  C      -3.187351      7.608610      4.616796
  C      -2.938228      6.868458      3.304176
  C      -4.157235      6.617459      2.457676
  N      -5.276467      7.269409      2.749103
  C      -6.390001      6.952715      2.038040
  N      -6.515664      6.028445      1.102532
  C      -5.356411      5.394683      0.728766
  C      -5.399928      4.429179     -0.304603
  C      -4.239020      3.800042     -0.710618
  C      -3.002001      4.113619     -0.104284
  C      -2.937604      5.038743      0.920199
  C      -4.112280      5.689611      1.365975
  C      -6.269761      2.565611      6.880198
  C      -6.920407      3.859983      7.386834
  C      -8.408495      3.718079      7.693747
  C      -9.337025      3.562357      6.517996
  N      -8.863640      3.729856      5.286078
  C      -9.736663      3.609954      4.243804
  N     -11.018962      3.342082      4.300575
  C     -11.540287      3.162189      5.553694
  C     -12.918673      2.872926      5.687783
  C     -13.466379      2.696479      6.941774
  C     -12.661835      2.801052      8.100381
  C     -11.313718      3.078894      7.996645
  C     -10.721489      3.264643      6.722274
  H      -2.138291      2.070846      2.254362
  H      -3.799677      2.663048      2.431760
  H      -2.872678      0.010971      3.669988
  H      -3.384957      0.112683      1.990690
  H      -5.132192     -0.560124      3.891392
  H      -5.212914      1.177488      4.204617
  H      -7.930214      2.867371      1.017048
  H      -7.902174     -0.910504     -1.590771
  H      -6.765950     -3.133440     -1.447211
  H      -5.251055     -3.642538      0.460499
  H      -4.839325     -1.963079      2.218337
  H      -4.981334      6.583211      5.251056
  H      -4.108416      7.406229      6.560282
  H      -2.214441      7.900537      5.041542
  H      -3.745491      8.536734      4.425554
  H      -2.207495      7.426294      2.692156
  H      -2.462821      5.894883      3.513658
  H      -7.292966      7.514162      2.300527
  H      -6.360700      4.216693     -0.775270
  H      -4.273814      3.063059     -1.514759
  H      -2.093098      3.616845     -0.447155
  H      -1.980391      5.266789      1.389384
  H      -6.512919      1.745378      7.581536
  H      -6.710210      2.278978      5.912523
  H      -6.406634      4.169257      8.310015
  H      -6.751298      4.665237      6.654552
  H      -8.563856      2.861426      8.371407
  H      -8.753534      4.597376      8.265224
  H      -9.305910      3.755721      3.246892
  H     -13.519288      2.799444      4.780488
  H     -14.529777      2.475275      7.045150
  H     -13.113902      2.660430      9.083110
  H     -10.706308      3.158278      8.898174
  N      -5.153372      4.177349      4.133071
  N      -6.491710      3.950929      3.703474
  H      -7.212434      3.887271      4.485484
  H      -6.530502      3.015440      3.113140
  H      -6.784690      4.714891      3.072932
100
Coordinates from ORCA-job orca E -6259.560896452539
  N      -2.701366      2.627579      4.187620
  Mo     -3.895533      3.732364      5.355236
  N      -4.826417      2.688902      6.750469
  C      -4.088398      2.231271      7.927920
  C      -2.618956      2.058418      7.579941
  N      -2.155462      3.222042      6.788923
  C      -1.000759      2.904318      5.920249
  C      -1.468721      2.072669      4.737189
  C      -1.913893      4.423263      7.621728
  C      -2.113083      5.666436      6.769306
  N      -3.348498      5.523915      6.002273
  H      -0.675424      2.069385      3.965932
  H      -1.598238      1.015667      5.043972
  H      -0.595205      3.858596      5.557259
  H      -0.205890      2.388476      6.488463
  H      -2.173909      6.549603      7.430670
  H      -1.240444      5.835074      6.109347
  H      -2.659689      4.423204      8.428310
  H      -0.909988      4.387159      8.080995
  H      -4.483606      1.262096      8.282541
  H      -4.208670      2.941766      8.770985
  H      -2.505035      1.168203      6.946367
  H      -1.998711      1.920264      8.482925
  C      -3.052422      2.041421      2.896203
  C      -3.537475      0.583071      2.960579
  C      -5.004445      0.429757      3.426854
  C      -5.970984      0.581779      2.289927
  N      -6.622444      1.735613      2.155323
  C      -7.449513      1.905026      1.083985
  N      -7.688749      1.038220      0.130543
  C      -7.052518     -0.169843      0.238497
  C      -7.278407     -1.151852     -0.754339
  C      -6.651698     -2.378010     -0.666496
  C      -5.783772     -2.668670      0.412027
  C      -5.544583     -1.728046      1.392937
  C      -6.169273     -0.457015      1.328447
  C      -3.979556      6.795950      5.648425
  C      -3.184435      7.632443      4.630981
  C      -2.914825      6.907680      3.313455
  C      -4.126072      6.637069      2.461461
  N      -5.253247      7.279799      2.742240
  C      -6.360956      6.942314      2.032228
  N      -6.473988      6.003687      1.109386
  C      -5.305944      5.382197      0.742872
  C      -5.334940      4.406519     -0.281420
  C      -4.164292      3.792821     -0.682886
  C      -2.931974      4.130933     -0.080126
  C      -2.881790      5.064686      0.937208
  C      -4.066386      5.701113      1.377651
  C      -6.277454      2.582775      6.886186
  C      -6.929305      3.879883      7.384847
  C      -8.417431      3.737335      7.691343
  C      -9.341963      3.558175      6.515734
  N      -8.869471      3.728591      5.283759
  C      -9.738482      3.590501      4.240678
  N     -11.016111      3.300453      4.296350
  C     -11.536179      3.116186      5.549358
  C     -12.909426      2.802865      5.682227
  C     -13.456466      2.622677      6.935950
  C     -12.656307      2.747431      8.095601
  C     -11.313128      3.048586      7.993168
  C     -10.721486      3.238323      6.719093
  H      -2.159835      2.076473      2.242759
  H      -3.820403      2.672149      2.427023
  H      -2.886461      0.007676      3.635201
  H      -3.420605      0.129413      1.964169
  H      -5.143639     -0.559479      3.886610
  H      -5.224677      1.177374      4.203768
  H      -7.951741      2.876066      1.025764
  H      -7.956125     -0.907647     -1.573038
  H      -6.827709     -3.135058     -1.432200
  H      -5.302342     -3.645911      0.466735
  H      -4.873586     -1.964813      2.218734
  H      -4.975000      6.586964      5.242603
  H      -4.114888      7.399699      6.566410
  H      -2.217846      7.930382      5.065925
  H      -3.750485      8.556591      4.444273
  H      -2.197588      7.490742      2.708681
  H      -2.416401      5.944738      3.515692
  H      -7.271179      7.495972      2.286182
  H      -6.291968      4.174928     -0.750660
  H      -4.187903      3.049327     -1.481463
  H      -2.015443      3.646317     -0.420075
  H      -1.928170      5.312380      1.403730
  H      -6.520052      1.767315      7.593265
  H      -6.718069      2.290336      5.920387
  H      -6.416814      4.194531      8.306925
  H      -6.760204      4.681172      6.648274
  H      -8.568713      2.891372      8.383086
  H      -8.768294      4.624243      8.247408
  H      -9.308998      3.740735      3.243827
  H     -13.506839      2.714318      4.774168
  H     -14.515933      2.382915      7.038285
  H     -13.107816      2.603674      9.078133
  H     -10.709410      3.143200      8.895703
  N      -5.159047      4.191120      4.129371
  N      -6.498706      3.966277      3.702571
  H      -7.218612      3.905758      4.485021
  H      -6.540974      3.029148      3.117166
  H      -6.790777      4.727192      3.067769
100
Coordinates from ORCA-job orca E -6259.560926379254
  N      -2.718343      2.623913      4.174878
  Mo     -3.905910      3.733164      5.344620
  N      -4.833307      2.698926      6.749092
  C      -4.090969      2.255477      7.929652
  C      -2.623719      2.071205      7.576460
  N      -2.157320      3.225152      6.773021
  C      -1.009600      2.892644      5.900283
  C      -1.489678      2.059285      4.723727
  C      -1.900582      4.430858      7.594295
  C      -2.104860      5.668489      6.735199
  N      -3.350054      5.525463      5.984330
  H      -0.699055      2.043964      3.949942
  H      -1.629100      1.005619      5.037336
  H      -0.597180      3.841253      5.530135
  H      -0.217017      2.372701      6.467912
  H      -2.153669      6.556594      7.390810
  H      -1.239595      5.828223      6.063316
  H      -2.634998      4.441152      8.411298
  H      -0.890776      4.393955      8.040569
  H      -4.488354      1.293286      8.300520
  H      -4.203947      2.978648      8.762874
  H      -2.517352      1.174529      6.950627
  H      -1.999996      1.938079      8.477857
  C      -3.072868      2.042227      2.882183
  C      -3.561052      0.584645      2.943834
  C      -5.024371      0.431091      3.421830
  C      -5.996581      0.584628      2.290104
  N      -6.641485      1.741808      2.155288
  C      -7.471553      1.913350      1.086521
  N      -7.720874      1.044931      0.137124
  C      -7.092221     -0.167033      0.246392
  C      -7.329642     -1.151076     -0.741748
  C      -6.709714     -2.380639     -0.653205
  C      -5.836990     -2.672545      0.421126
  C      -5.586886     -1.730090      1.397542
  C      -6.205126     -0.455950      1.332707
  C      -3.991365      6.796665      5.646980
  C      -3.197099      7.659104      4.650753
  C      -2.897023      6.955063      3.328358
  C      -4.094726      6.659624      2.465196
  N      -5.234427      7.286041      2.731295
  C      -6.331176      6.922930      2.017406
  N      -6.422486      5.970883      1.105928
  C      -5.241316      5.366646      0.753067
  C      -5.246538      4.379469     -0.260627
  C      -4.062073      3.785598     -0.651230
  C      -2.839178      4.154112     -0.046892
  C      -2.812118      5.098060      0.961813
  C      -4.011029      5.715658      1.390409
  C      -6.283635      2.592379      6.887804
  C      -6.934759      3.892208      7.381483
  C      -8.422804      3.751832      7.689556
  C      -9.346422      3.553197      6.516234
  N      -8.877442      3.724742      5.282917
  C      -9.745726      3.571651      4.241477
  N     -11.019361      3.264595      4.299712
  C     -11.535431      3.077837      5.554018
  C     -12.904137      2.746228      5.689487
  C     -13.447755      2.564364      6.944465
  C     -12.648487      2.705633      8.102814
  C     -11.309539      3.024300      7.997843
  C     -10.721296      3.215884      6.722454
  H      -2.181171      2.074978      2.227418
  H      -3.839767      2.676322      2.415492
  H      -2.904670      0.004411      3.608913
  H      -3.454284      0.136588      1.943780
  H      -5.161045     -0.557772      3.882785
  H      -5.238753      1.179317      4.199854
  H      -7.967239      2.887687      1.026973
  H      -8.010405     -0.905521     -1.557513
  H      -6.894642     -3.139296     -1.415210
  H      -5.360514     -3.652192      0.476124
  H      -4.912120     -1.967738      2.220011
  H      -4.980781      6.583177      5.229018
  H      -4.141487      7.383860      6.573501
  H      -2.241070      7.967499      5.101562
  H      -3.775416      8.576350      4.468133
  H      -2.193178      7.566242      2.735567
  H      -2.372538      6.005283      3.524551
  H      -7.252008      7.464860      2.258134
  H      -6.196439      4.124266     -0.732125
  H      -4.067324      3.034266     -1.442769
  H      -1.911701      3.684965     -0.378706
  H      -1.865388      5.370190      1.428996
  H      -6.525555      1.779930      7.598630
  H      -6.725608      2.296452      5.923703
  H      -6.421719      4.210302      8.302060
  H      -6.765496      4.689855      6.641134
  H      -8.571816      2.917346      8.395330
  H      -8.775870      4.647419      8.230285
  H      -9.319812      3.724587      3.243476
  H     -13.500896      2.645463      4.782263
  H     -14.503754      2.310561      7.048776
  H     -13.097188      2.560725      9.086467
  H     -10.706951      3.131635      8.899695
  N      -5.171446      4.197218      4.122787
  N      -6.513115      3.971858      3.700654
  H      -7.230922      3.913670      4.484906
  H      -6.557083      3.033598      3.118878
  H      -6.805777      4.729721      3.062353
100
Coordinates from ORCA-job orca E -6259.560908278457
  N      -2.729863      2.618364      4.157718
  Mo     -3.919046      3.726055      5.326485
  N      -4.843947      2.691337      6.732217
  C      -4.100872      2.255051      7.915483
  C      -2.632918      2.068568      7.561143
  N      -2.167458      3.220771      6.755076
  C      -1.020381      2.889394      5.881316
  C      -1.500111      2.055791      4.706179
  C      -1.910416      4.427009      7.575826
  C      -2.121738      5.665063      6.719451
  N      -3.366653      5.518342      5.968618
  H      -0.710006      2.040486      3.931923
  H      -1.638703      1.002203      5.020577
  H      -0.610041      3.838787      5.510473
  H      -0.226754      2.370849      6.448730
  H      -2.174160      6.550882      7.377641
  H      -1.256993      5.830269      6.048016
  H      -2.639544      4.434386      8.397557
  H      -0.897654      4.393541      8.015767
  H      -4.498449      1.295076      8.291828
  H      -4.212524      2.982307      8.745138
  H      -2.526329      1.169596      6.938694
  H      -2.009002      1.938705      8.462954
  C      -3.082056      2.033613      2.865803
  C      -3.573624      0.576809      2.932741
  C      -5.038440      0.424835      3.407581
  C      -6.006138      0.571017      2.271225
  N      -6.647883      1.728490      2.125359
  C      -7.473611      1.893364      1.052250
  N      -7.723213      1.017144      0.109972
  C      -7.098713     -0.195655      0.231632
  C      -7.337805     -1.188525     -0.747295
  C      -6.721381     -2.418895     -0.646150
  C      -5.850175     -2.702716      0.431621
  C      -5.598542     -1.751740      1.399308
  C      -6.214014     -0.476893      1.322006
  C      -4.019196      6.787720      5.645987
  C      -3.224493      7.678024      4.675277
  C      -2.891124      6.998618      3.347977
  C      -4.071791      6.684652      2.467806
  N      -5.225496      7.290173      2.720693
  C      -6.307005      6.909637      1.992948
  N      -6.371162      5.956105      1.080718
  C      -5.175572      5.371871      0.743223
  C      -5.151272      4.384310     -0.269992
  C      -3.951776      3.812627     -0.647783
  C      -2.742562      4.202953     -0.029479
  C      -2.744330      5.146630      0.979795
  C      -3.958817      5.743039      1.394224
  C      -6.294214      2.588716      6.874695
  C      -6.938080      3.889855      7.375914
  C      -8.424306      3.756384      7.696786
  C      -9.360958      3.557310      6.533573
  N      -8.907280      3.732331      5.294918
  C      -9.788595      3.581929      4.263932
  N     -11.061343      3.274426      4.337168
  C     -11.561703      3.083753      5.597208
  C     -12.928709      2.752103      5.748636
  C     -13.457055      2.567627      7.009811
  C     -12.643596      2.706294      8.158483
  C     -11.305804      3.024493      8.037724
  C     -10.733037      3.218521      6.755690
  H      -2.188548      2.060381      2.213219
  H      -3.844303      2.668805      2.393464
  H      -2.919475     -0.000552      3.602450
  H      -3.463635      0.124225      1.935141
  H      -5.175709     -0.560495      3.875563
  H      -5.254377      1.179185      4.179213
  H      -7.965299      2.869015      0.981889
  H      -8.016984     -0.949223     -1.566238
  H      -6.907826     -3.184419     -1.400893
  H      -5.376143     -3.682960      0.496189
  H      -4.925234     -1.983060      2.224758
  H      -5.000757      6.569376      5.212160
  H      -4.187323      7.356300      6.581016
  H      -2.281417      7.996323      5.146146
  H      -3.814920      8.588183      4.496266
  H      -2.194242      7.633219      2.771977
  H      -2.346853      6.059103      3.539069
  H      -7.239462      7.436735      2.221589
  H      -6.091140      4.112153     -0.752132
  H      -3.933917      3.061450     -1.439213
  H      -1.803073      3.750703     -0.350707
  H      -1.807581      5.436338      1.456652
  H      -6.537230      1.773565      7.582175
  H      -6.740341      2.298655      5.910721
  H      -6.416674      4.204224      8.293046
  H      -6.771049      4.687503      6.635268
  H      -8.571405      2.927864      8.409578
  H      -8.768006      4.658001      8.233770
  H      -9.375355      3.738209      3.261158
  H     -13.536346      2.653814      4.848373
  H     -14.511775      2.313928      7.126538
  H     -13.080123      2.560047      9.147407
  H     -10.692617      3.130239      8.932561
  N      -5.183904      4.193444      4.105752
  N      -6.526259      3.972669      3.682877
  H      -7.245328      3.919051      4.466541
  H      -6.570126      3.034711      3.101068
  H      -6.813854      4.730216      3.041852
100
Coordinates from ORCA-job orca E -6259.560815051454
  N      -2.711010      2.617881      4.153262
  Mo     -3.913575      3.715348      5.316290
  N      -4.831486      2.665143      6.716362
  C      -4.086524      2.229972      7.899468
  C      -2.614354      2.063217      7.548303
  N      -2.163521      3.225129      6.749983
  C      -1.008798      2.919392      5.877974
  C      -1.470153      2.080129      4.701194
  C      -1.931935      4.429949      7.582128
  C      -2.158524      5.673134      6.737664
  N      -3.388966      5.511216      5.966010
  H      -0.679243      2.081819      3.927665
  H      -1.587951      1.022812      5.012224
  H      -0.618477      3.878834      5.510798
  H      -0.205411      2.416141      6.445442
  H      -2.239440      6.548398      7.406797
  H      -1.286676      5.865485      6.082682
  H      -2.665348      4.414911      8.399666
  H      -0.920800      4.410922      8.026508
  H      -4.474420      1.262333      8.265978
  H      -4.208341      2.948144      8.735188
  H      -2.492803      1.167443      6.924283
  H      -1.992354      1.939239      8.452241
  C      -3.055624      2.016264      2.867923
  C      -3.551690      0.561392      2.951496
  C      -5.019728      0.420032      3.420915
  C      -5.986321      0.581964      2.286064
  N      -6.616126      1.747630      2.149044
  C      -7.441975      1.927872      1.078839
  N      -7.704724      1.059052      0.132956
  C      -7.093143     -0.160904      0.245461
  C      -7.347172     -1.146524     -0.737118
  C      -6.743508     -2.383867     -0.644499
  C      -5.870141     -2.682149      0.427654
  C      -5.603605     -1.738700      1.398670
  C      -6.206526     -0.457172      1.330562
  C      -4.054051      6.773901      5.641489
  C      -3.267249      7.671437      4.672058
  C      -2.924207      6.993131      3.346953
  C      -4.100425      6.662124      2.466994
  N      -5.263296      7.249503      2.719731
  C      -6.337257      6.858953      1.985819
  N      -6.385945      5.909257      1.068712
  C      -5.182282      5.339594      0.735841
  C      -5.141533      4.355961     -0.280877
  C      -3.933853      3.799294     -0.655088
  C      -2.732371      4.200333     -0.028444
  C      -2.750235      5.140757      0.983657
  C      -3.972780      5.723352      1.392934
  C      -6.281917      2.560524      6.861044
  C      -6.924897      3.859126      7.369673
  C      -8.411105      3.729262      7.691877
  C      -9.352218      3.546486      6.529118
  N      -8.899831      3.718525      5.289464
  C      -9.787607      3.586099      4.261024
  N     -11.065131      3.300734      4.337880
  C     -11.564394      3.114512      5.598900
  C     -12.936855      2.808439      5.754138
  C     -13.464085      2.629709      7.016732
  C     -12.643954      2.748990      8.162716
  C     -11.300734      3.042249      8.037968
  C     -10.729180      3.229732      6.754494
  H      -2.158652      2.033368      2.219773
  H      -3.811050      2.646583      2.380652
  H      -2.904741     -0.007688      3.635322
  H      -3.434032      0.094216      1.961538
  H      -5.165962     -0.565027      3.886749
  H      -5.227536      1.174994      4.194003
  H      -7.922845      2.909371      1.014733
  H      -8.027451     -0.896698     -1.551994
  H      -6.941756     -3.143753     -1.401922
  H      -5.406454     -3.667777      0.485152
  H      -4.929413     -1.980989      2.220228
  H      -5.032484      6.545808      5.205404
  H      -4.228785      7.339952      6.576748
  H      -2.330302      8.002212      5.146555
  H      -3.867607      8.574177      4.488372
  H      -2.228813      7.628140      2.770160
  H      -2.373319      6.057994      3.542984
  H      -7.277592      7.371679      2.214956
  H      -6.076602      4.075232     -0.767661
  H      -3.902619      3.050379     -1.448139
  H      -1.786448      3.758298     -0.344902
  H      -1.819093      5.438245      1.466329
  H      -6.523620      1.739396      7.562189
  H      -6.728800      2.275804      5.895893
  H      -6.401764      4.169680      8.287122
  H      -6.757171      4.658707      6.631432
  H      -8.565151      2.897749      8.399375
  H      -8.746735      4.630886      8.234187
  H      -9.374906      3.738285      3.257536
  H     -13.549260      2.725131      4.855598
  H     -14.523010      2.395820      7.136620
  H     -13.079386      2.608152      9.152906
  H     -10.682407      3.133857      8.930787
  N      -5.181403      4.167801      4.094303
  N      -6.522427      3.948901      3.669236
  H      -7.244020      3.903671      4.451449
  H      -6.561619      3.009339      3.088610
  H      -6.804025      4.704951      3.023891
100
Coordinates from ORCA-job orca E -6259.560352960783
  N      -2.724164      2.638091      4.134625
  Mo     -3.919373      3.714943      5.322648
  N      -4.805924      2.642162      6.725902
  C      -4.041488      2.203134      7.894079
  C      -2.572814      2.058236      7.522248
  N      -2.147308      3.233122      6.728396
  C      -1.001294      2.952200      5.837379
  C      -1.467843      2.114324      4.661020
  C      -1.924282      4.432673      7.571109
  C      -2.177798      5.683044      6.745212
  N      -3.408781      5.511776      5.976149
  H      -0.688258      2.131871      3.876317
  H      -1.566137      1.052963      4.965615
  H      -0.633465      3.921249      5.471884
  H      -0.180938      2.458834      6.389075
  H      -2.270479      6.546832      7.427597
  H      -1.312171      5.899902      6.089553
  H      -2.649050      4.395008      8.395352
  H      -0.908195      4.423682      8.004240
  H      -4.414082      1.227002      8.254097
  H      -4.159305      2.910135      8.739593
  H      -2.447777      1.169089      6.889729
  H      -1.938690      1.934320      8.417754
  C      -3.083060      2.037195      2.852723
  C      -3.573918      0.581127      2.940551
  C      -5.042763      0.438197      3.407476
  C      -6.009279      0.579793      2.269681
  N      -6.646359      1.740148      2.116529
  C      -7.473320      1.900506      1.044114
  N      -7.730028      1.017388      0.109737
  C      -7.111129     -0.196941      0.238812
  C      -7.358836     -1.197766     -0.729926
  C      -6.747839     -2.430038     -0.619688
  C      -5.873227     -2.708270      0.456833
  C      -5.612426     -1.749828      1.414580
  C      -6.222650     -0.472807      1.327944
  C      -4.082768      6.772277      5.660392
  C      -3.298087      7.676605      4.695776
  C      -2.946790      7.001587      3.371503
  C      -4.116795      6.674829      2.482215
  N      -5.275515      7.277690      2.716154
  C      -6.343871      6.897610      1.968764
  N      -6.391527      5.945525      1.054090
  C      -5.191790      5.355254      0.744413
  C      -5.150094      4.363388     -0.264377
  C      -3.945885      3.783792     -0.613753
  C      -2.748797      4.169511      0.030762
  C      -2.768272      5.118759      1.034406
  C      -3.987210      5.725338      1.417916
  C      -6.253628      2.528925      6.887626
  C      -6.896777      3.822264      7.407358
  C      -8.386593      3.695176      7.709371
  C      -9.309888      3.539164      6.528951
  N      -8.831456      3.710700      5.299002
  C      -9.702809      3.598123      4.254021
  N     -10.986189      3.334836      4.306154
  C     -11.511903      3.150830      5.556619
  C     -12.892285      2.869028      5.684895
  C     -13.445453      2.691750      6.936532
  C     -12.644080      2.787892      8.097826
  C     -11.293715      3.057421      7.999279
  C     -10.695902      3.243670      6.727595
  H      -2.194288      2.060930      2.193647
  H      -3.845470      2.665309      2.374603
  H      -2.927156      0.017899      3.629522
  H      -3.450747      0.109489      1.953299
  H      -5.183868     -0.541498      3.886105
  H      -5.254469      1.202507      4.170242
  H      -7.957765      2.879171      0.964527
  H      -8.040306     -0.963950     -1.548554
  H      -6.941334     -3.201628     -1.366444
  H      -5.404133     -3.690418      0.528329
  H      -4.937647     -1.976642      2.240053
  H      -5.060221      6.542015      5.223175
  H      -4.258439      7.331813      6.599305
  H      -2.365524      8.011369      5.175934
  H      -3.902388      8.576527      4.510475
  H      -2.242050      7.631366      2.800788
  H      -2.402043      6.063183      3.571183
  H      -7.279796      7.426118      2.179556
  H      -6.082131      4.093988     -0.763388
  H      -3.913015      3.027342     -1.399456
  H      -1.805454      3.708045     -0.264896
  H      -1.840641      5.403357      1.530977
  H      -6.485678      1.699932      7.582944
  H      -6.707096      2.250072      5.923884
  H      -6.381464      4.122118      8.332785
  H      -6.719809      4.628775      6.678664
  H      -8.558445      2.853439      8.400273
  H      -8.722339      4.591604      8.260346
  H      -9.269282      3.747609      3.259273
  H     -13.489545      2.802845      4.774806
  H     -14.510464      2.476652      7.035791
  H     -13.099709      2.648240      9.079057
  H     -10.689869      3.131444      8.903546
  N      -5.218897      4.153891      4.130204
  N      -6.567503      3.924447      3.734080
  H      -7.269642      3.872528      4.532206
  H      -6.608064      2.985272      3.150784
  H      -6.867828      4.680306      3.097005
100
Coordinates from ORCA-job orca E -6259.560902274610
  N      -2.721779      2.627769      4.154095
  Mo     -3.911104      3.732891      5.325497
  N      -4.832900      2.687629      6.725051
  C      -4.091738      2.247890      7.907044
  C      -2.623495      2.067685      7.552647
  N      -2.160893      3.225889      6.752309
  C      -1.011715      2.905898      5.877348
  C      -1.486491      2.073343      4.698669
  C      -1.910295      4.428095      7.580836
  C      -2.124594      5.671161      6.732204
  N      -3.364736      5.523651      5.973886
  H      -0.697296      2.067053      3.923251
  H      -1.616041      1.016950      5.008176
  H      -0.609159      3.860111      5.510498
  H      -0.213248      2.391521      6.441917
  H      -2.185167      6.552113      7.396471
  H      -1.257835      5.846386      6.066108
  H      -2.641626      4.425846      8.400411
  H      -0.898462      4.395141      8.022750
  H      -4.486974      1.284353      8.277139
  H      -4.206290      2.969967      8.740835
  H      -2.514539      1.172090      6.925811
  H      -2.000292      1.934631      8.454482
  C      -3.076198      2.038788      2.865073
  C      -3.571052      0.583439      2.938267
  C      -5.039685      0.438282      3.402988
  C      -6.002473      0.584512      2.262484
  N      -6.645527      1.741560      2.115044
  C      -7.466733      1.906721      1.038616
  N      -7.710797      1.031369      0.094052
  C      -7.085810     -0.180930      0.217326
  C      -7.319166     -1.173077     -0.763662
  C      -6.701357     -2.402603     -0.661240
  C      -5.834515     -2.686515      0.419992
  C      -5.588628     -1.736458      1.389978
  C      -6.205464     -0.462315      1.311274
  C      -4.013503      6.794859      5.650247
  C      -3.219395      7.676193      4.671071
  C      -2.897560      6.986010      3.346940
  C      -4.086638      6.670170      2.479317
  N      -5.235509      7.282598      2.737344
  C      -6.325158      6.898882      2.023559
  N      -6.401373      5.936726      1.121480
  C      -5.212264      5.341821      0.780740
  C      -5.202435      4.340408     -0.218999
  C      -4.009576      3.757588     -0.600019
  C      -2.792530      4.151158      0.000741
  C      -2.780092      5.108133      0.997234
  C      -3.987964      5.715169      1.415869
  C      -6.283472      2.584462      6.867905
  C      -6.929604      3.883934      7.368929
  C      -8.416113      3.749387      7.686417
  C      -9.350741      3.554482      6.521326
  N      -8.892209      3.719300      5.283222
  C      -9.771214      3.566554      4.250422
  N     -11.046201      3.268649      4.321671
  C     -11.552134      3.090690      5.581304
  C     -12.922119      2.770549      5.730628
  C     -13.455311      2.596831      6.991212
  C     -12.643873      2.734565      8.141456
  C     -11.303390      3.042015      8.022857
  C     -10.725820      3.225811      6.741382
  H      -2.183369      2.063165      2.211588
  H      -3.836846      2.674772      2.390635
  H      -2.924632      0.010172      3.619205
  H      -3.453005      0.121392      1.945853
  H      -5.181879     -0.546236      3.871386
  H      -5.257634      1.193900      4.172929
  H      -7.956668      2.883143      0.965224
  H      -7.994752     -0.933928     -1.585601
  H      -6.883140     -3.167383     -1.417859
  H      -5.359288     -3.666130      0.485366
  H      -4.918444     -1.967630      2.217987
  H      -4.998608      6.579734      5.222972
  H      -4.173420      7.367721      6.584096
  H      -2.273203      7.994223      5.135520
  H      -3.808456      8.586745      4.488673
  H      -2.200398      7.610212      2.760133
  H      -2.357924      6.044599      3.542509
  H      -7.253241      7.432553      2.254874
  H      -6.148644      4.066079     -0.687372
  H      -4.002796      2.995296     -1.380991
  H      -1.858319      3.690128     -0.323371
  H      -1.837360      5.399422      1.461139
  H      -6.524930      1.767802      7.574198
  H      -6.728573      2.294388      5.903489
  H      -6.410741      4.199250      8.287177
  H      -6.761775      4.682434      6.628967
  H      -8.566287      2.918242      8.395515
  H      -8.759399      4.649515      8.226295
  H      -9.352875      3.710418      3.247906
  H     -13.528021      2.671982      4.829236
  H     -14.512324      2.352003      7.106313
  H     -13.084187      2.596075      9.129808
  H     -10.691430      3.147015      8.918630
  N      -5.182639      4.195798      4.110052
  N      -6.527877      3.976438      3.694598
  H      -7.240170      3.909981      4.483673
  H      -6.572068      3.047260      3.097749
  H      -6.821449      4.742376      3.066674
100
Coordinates from ORCA-job orca E -6259.559501121368
  N      -2.709405      2.580573      4.192443
  Mo     -3.901659      3.697330      5.348101
  N      -4.833037      2.663169      6.751093
  C      -4.099760      2.234226      7.941694
  C      -2.629759      2.052410      7.598543
  N      -2.164892      3.201594      6.788935
  C      -1.012008      2.868471      5.924126
  C      -1.484302      2.020262      4.754240
  C      -1.918323      4.413903      7.605250
  C      -2.121796      5.648519      6.740341
  N      -3.356199      5.496786      5.972610
  H      -0.689007      1.996264      3.985740
  H      -1.625364      0.970220      5.078614
  H      -0.605186      3.816301      5.545859
  H      -0.217159      2.360104      6.499025
  H      -2.187168      6.537022      7.394420
  H      -1.249269      5.815663      6.079793
  H      -2.659120      4.424524      8.416375
  H      -0.912115      4.381562      8.059540
  H      -4.494320      1.272384      8.316594
  H      -4.223635      2.962401      8.768882
  H      -2.517363      1.151086      6.980531
  H      -2.010012      1.929124      8.503896
  C      -3.064397      1.982197      2.908646
  C      -3.549526      0.524818      2.980998
  C      -5.003128      0.363197      3.487349
  C      -6.005469      0.508692      2.380994
  N      -6.682642      1.651400      2.278709
  C      -7.544926      1.815884      1.235095
  N      -7.798328      0.953714      0.280976
  C      -7.136592     -0.243246      0.356414
  C      -7.375361     -1.219518     -0.638997
  C      -6.723441     -2.434434     -0.583801
  C      -5.816590     -2.719237      0.463728
  C      -5.564137     -1.783929      1.446564
  C      -6.214714     -0.524608      1.415517
  C      -4.003676      6.765229      5.634038
  C      -3.207059      7.642781      4.652086
  C      -2.901438      6.971221      3.313316
  C      -4.092091      6.708611      2.428945
  N      -5.234274      7.324984      2.708594
  C      -6.320607      7.000123      1.961110
  N      -6.397421      6.100239      0.996390
  C      -5.209733      5.522663      0.621822
  C      -5.195841      4.609294     -0.458748
  C      -4.003760      4.046000     -0.870142
  C      -2.792373      4.372478     -0.220670
  C      -2.784622      5.243520      0.851919
  C      -3.991343      5.828485      1.302056
  C      -6.284485      2.562010      6.889565
  C      -6.935702      3.856655      7.395266
  C      -8.423862      3.712004      7.703181
  C      -9.348749      3.548646      6.525165
  N      -8.876863      3.745977      5.297378
  C      -9.743305      3.627213      4.250167
  N     -11.020117      3.332519      4.298523
  C     -11.540630      3.121575      5.547361
  C     -12.913233      2.802659      5.672314
  C     -13.461342      2.596166      6.921566
  C     -12.662945      2.699571      8.084441
  C     -11.320393      3.005982      7.989910
  C     -10.727733      3.222495      6.720720
  H      -2.170274      2.007017      2.257046
  H      -3.829587      2.608217      2.430118
  H      -2.880402     -0.052877      3.635680
  H      -3.456247      0.075796      1.979722
  H      -5.120905     -0.627395      3.950050
  H      -5.206648      1.107670      4.271556
  H      -8.072334      2.774881      1.207166
  H      -8.082846     -0.979897     -1.433533
  H      -6.909129     -3.186979     -1.351636
  H      -5.315299     -3.687595      0.492870
  H      -4.862306     -2.015903      2.247771
  H      -4.989658      6.549838      5.209640
  H      -4.162062      7.344966      6.563852
  H      -2.253548      7.944961      5.112154
  H      -3.786159      8.562449      4.484820
  H      -2.192919      7.598605      2.743416
  H      -2.378948      6.015594      3.485095
  H      -7.246057      7.525742      2.219835
  H      -6.136587      4.388743     -0.964392
  H      -3.993322      3.353282     -1.713493
  H      -1.858401      3.928943     -0.569165
  H      -1.847332      5.483817      1.352825
  H      -6.525680      1.745005      7.595370
  H      -6.727106      2.271882      5.924186
  H      -6.422631      4.166236      8.318802
  H      -6.766449      4.662553      6.663750
  H      -8.575015      2.857895      8.384876
  H      -8.772998      4.592315      8.270652
  H      -9.311883      3.800783      3.257234
  H     -13.509460      2.730728      4.762069
  H     -14.520325      2.351965      7.017782
  H     -13.115333      2.534798      9.063246
  H     -10.717900      3.083297      8.894890
  N      -5.158479      4.154425      4.114690
  N      -6.495147      3.938715      3.679726
  H      -7.222719      3.899062      4.455595
  H      -6.537773      2.992860      3.110106
  H      -6.773474      4.690381      3.027577
100
Coordinates from ORCA-job orca E -6259.560669476030
  N      -2.713597      2.610550      4.176737
  Mo     -3.907605      3.721695      5.336071
  N      -4.834905      2.681792      6.736993
  C      -4.099397      2.250558      7.925218
  C      -2.629636      2.073200      7.580916
  N      -2.166896      3.226566      6.774804
  C      -1.014391      2.897955      5.907654
  C      -1.486021      2.052855      4.735359
  C      -1.922140      4.435928      7.595212
  C      -2.131424      5.672739      6.735730
  N      -3.366638      5.519014      5.969893
  H      -0.691699      2.033819      3.965546
  H      -1.623535      1.000962      5.055901
  H      -0.610206      3.848126      5.532223
  H      -0.218163      2.389295      6.480403
  H      -2.197895      6.558310      7.393321
  H      -1.260485      5.844630      6.074238
  H      -2.660510      4.440219      8.408565
  H      -0.914175      4.405829      8.045946
  H      -4.492946      1.287564      8.298394
  H      -4.221879      2.976720      8.754299
  H      -2.515099      1.174068      6.960244
  H      -2.010190      1.948088      8.486349
  C      -3.063943      2.020172      2.887215
  C      -3.567574      0.569169      2.952450
  C      -5.038573      0.439978      3.414275
  C      -5.998123      0.595662      2.271757
  N      -6.626136      1.760705      2.117791
  C      -7.445107      1.930212      1.040269
  N      -7.698309      1.054162      0.098798
  C      -7.086578     -0.164363      0.226876
  C      -7.328569     -1.156602     -0.751904
  C      -6.726015     -2.393187     -0.643727
  C      -5.866930     -2.684416      0.441693
  C      -5.612486     -1.734086      1.409323
  C      -6.212404     -0.452348      1.323924
  C      -4.015544      6.786868      5.633507
  C      -3.217064      7.661454      4.651529
  C      -2.895365      6.969624      3.327820
  C      -4.080987      6.665495      2.450992
  N      -5.230582      7.276070      2.710928
  C      -6.315268      6.907050      1.981950
  N      -6.384814      5.965168      1.058105
  C      -5.192709      5.380757      0.709772
  C      -5.173682      4.411484     -0.320996
  C      -3.977459      3.839796     -0.708131
  C      -2.766609      4.211912     -0.082092
  C      -2.763373      5.138207      0.943014
  C      -3.974356      5.734726      1.366776
  C      -6.285814      2.577258      6.877906
  C      -6.937062      3.872937      7.381309
  C      -8.421706      3.727809      7.704746
  C      -9.359441      3.537646      6.541449
  N      -8.902628      3.705855      5.303563
  C      -9.781964      3.556376      4.270875
  N     -11.056853      3.258385      4.342291
  C     -11.561586      3.077366      5.602056
  C     -12.931377      2.756866      5.751714
  C     -13.463344      2.579493      7.012315
  C     -12.650933      2.713930      8.162260
  C     -11.310688      3.022068      8.043442
  C     -10.734446      3.209666      6.762010
  H      -2.166410      2.042539      2.240044
  H      -3.821365      2.655035      2.407907
  H      -2.926789     -0.013873      3.630369
  H      -3.453267      0.112644      1.956976
  H      -5.192860     -0.542452      3.883652
  H      -5.250376      1.198796      4.182533
  H      -7.927184      2.910311      0.964950
  H      -7.998925     -0.911784     -1.576469
  H      -6.914524     -3.158127     -1.398544
  H      -5.404688     -3.669874      0.512396
  H      -4.948662     -1.971356      2.240769
  H      -4.999022      6.568430      5.204397
  H      -4.178968      7.366810      6.562341
  H      -2.270195      7.977069      5.116232
  H      -3.802532      8.573805      4.466702
  H      -2.192976      7.592600      2.745834
  H      -2.360873      6.025031      3.522713
  H      -7.245063      7.435597      2.218172
  H      -6.114937      4.153700     -0.808100
  H      -3.963250      3.102731     -1.512823
  H      -1.829667      3.759668     -0.410739
  H      -1.825705      5.413718      1.425655
  H      -6.524641      1.760245      7.584690
  H      -6.729869      2.285290      5.913641
  H      -6.416873      4.190790      8.298004
  H      -6.776506      4.673465      6.641937
  H      -8.563636      2.887607      8.405105
  H      -8.767835      4.619175      8.256865
  H      -9.363759      3.703257      3.268695
  H     -13.538281      2.660623      4.850767
  H     -14.520208      2.334323      7.127656
  H     -13.090484      2.572137      9.150481
  H     -10.697577      3.124033      8.938798
  N      -5.173034      4.174791      4.110244
  N      -6.512846      3.947306      3.685301
  H      -7.235865      3.915621      4.466266
  H      -6.555018      2.992451      3.131849
  H      -6.796543      4.688769      3.023926
100
Coordinates from ORCA-job orca E -6259.559065325209
  N      -2.751050      2.689937      4.094246
  Mo     -3.942312      3.760923      5.296746
  N      -4.838711      2.681882      6.687653
  C      -4.075376      2.226681      7.851662
  C      -2.608622      2.067272      7.476340
  N      -2.168237      3.246093      6.694468
  C      -1.024468      2.961243      5.800451
  C      -1.499965      2.147267      4.612207
  C      -1.924503      4.433010      7.547078
  C      -2.162815      5.689903      6.727964
  N      -3.407246      5.543128      5.976247
  H      -0.720364      2.168144      3.827100
  H      -1.609894      1.082941      4.902323
  H      -0.640635      3.929085      5.448943
  H      -0.212116      2.447078      6.345102
  H      -2.226765      6.556113      7.410362
  H      -1.303214      5.887862      6.058827
  H      -2.645520      4.402832      8.375214
  H      -0.906762      4.405365      7.975737
  H      -4.457839      1.252910      8.208152
  H      -4.183681      2.931095      8.701030
  H      -2.497116      1.184767      6.831853
  H      -1.973757      1.924139      8.368531
  C      -3.106635      2.110371      2.802079
  C      -3.566766      0.641170      2.873607
  C      -5.020408      0.453033      3.366398
  C      -6.005751      0.588620      2.245852
  N      -6.662416      1.739005      2.117130
  C      -7.504574      1.901811      1.056796
  N      -7.758351      1.027850      0.113261
  C      -7.119742     -0.178870      0.219004
  C      -7.363188     -1.169882     -0.760820
  C      -6.731031     -2.393372     -0.675557
  C      -5.838709     -2.672103      0.386291
  C      -5.582296     -1.723211      1.354497
  C      -6.214169     -0.455402      1.293517
  C      -4.058701      6.814967      5.663274
  C      -3.253421      7.704563      4.702789
  C      -2.890247      7.002473      3.396786
  C      -4.053028      6.654866      2.507197
  N      -5.211243      7.268906      2.712292
  C      -6.278250      6.858337      1.979354
  N      -6.327363      5.861297      1.114644
  C      -5.129952      5.249655      0.840566
  C      -5.092596      4.197381     -0.104976
  C      -3.889844      3.596090     -0.421440
  C      -2.689632      4.019597      0.193635
  C      -2.704415      5.027025      1.138991
  C      -3.923384      5.655783      1.489864
  C      -6.287061      2.569206      6.841047
  C      -6.927832      3.866116      7.355164
  C      -8.412286      3.736027      7.678467
  C      -9.354593      3.547310      6.518312
  N      -8.905356      3.707343      5.275155
  C      -9.797762      3.557748      4.252664
  N     -11.074215      3.269108      4.337431
  C     -11.569159      3.097613      5.601780
  C     -12.940263      2.789221      5.765747
  C     -13.462077      2.622951      7.032138
  C     -12.637685      2.756880      8.173552
  C     -11.295860      3.052711      8.040101
  C     -10.729886      3.228299      6.752284
  H      -2.223353      2.157189      2.136263
  H      -3.883575      2.739004      2.342557
  H      -2.893378      0.079405      3.537924
  H      -3.456674      0.188768      1.876340
  H      -5.130395     -0.538397      3.828760
  H      -5.239494      1.197367      4.146945
  H      -7.999854      2.876311      0.992977
  H      -8.057989     -0.935191     -1.567863
  H      -6.921006     -3.157397     -1.430931
  H      -5.352360     -3.647021      0.438026
  H      -4.893359     -1.950322      2.168039
  H      -5.035861      6.597871      5.218420
  H      -4.234653      7.378097      6.600197
  H      -2.322099      8.033999      5.188880
  H      -3.847048      8.607971      4.500308
  H      -2.181388      7.620917      2.818150
  H      -2.348869      6.068993      3.623187
  H      -7.213485      7.397898      2.163285
  H      -6.026330      3.897873     -0.583547
  H      -3.861606      2.793532     -1.160310
  H      -1.747330      3.541584     -0.078072
  H      -1.773930      5.340640      1.614780
  H      -6.523454      1.743739      7.539070
  H      -6.737887      2.290320      5.875907
  H      -6.403263      4.175425      8.272200
  H      -6.762192      4.667442      6.618113
  H      -8.563699      2.905551      8.387799
  H      -8.748348      4.638150      8.219869
  H      -9.390720      3.694714      3.245959
  H     -13.555916      2.693938      4.870565
  H     -14.519937      2.387378      7.158738
  H     -13.068756      2.625255      9.166932
  H     -10.674094      3.156026      8.929314
  N      -5.236173      4.230450      4.107510
  N      -6.589941      4.012652      3.710682
  H      -7.287397      3.926192      4.510815
  H      -6.646943      3.102007      3.087285
  H      -6.893167      4.792207      3.104874
100
Coordinates from ORCA-job orca E -6259.560821679242
  N      -2.719174      2.613239      4.148099
  Mo     -3.913532      3.713131      5.318734
  N      -4.829884      2.658293      6.715227
  C      -4.086207      2.217690      7.896009
  C      -2.616302      2.046540      7.541016
  N      -2.161661      3.210358      6.745147
  C      -1.010273      2.903390      5.869108
  C      -1.478131      2.069959      4.690026
  C      -1.921208      4.410586      7.580419
  C      -2.144415      5.657248      6.740235
  N      -3.379949      5.503850      5.974862
  H      -0.689665      2.071801      3.913851
  H      -1.598101      1.011748      4.997439
  H      -0.617671      3.862739      5.504302
  H      -0.206610      2.395385      6.432030
  H      -2.216660      6.531563      7.411656
  H      -1.275767      5.846433      6.080215
  H      -2.652745      4.396494      8.399651
  H      -0.909117      4.384070      8.022190
  H      -4.477115      1.250768      8.261777
  H      -4.203483      2.935079      8.733168
  H      -2.501383      1.153232      6.912220
  H      -1.992632      1.915096      8.442767
  C      -3.071679      2.014468      2.863648
  C      -3.562373      0.558081      2.951080
  C      -5.029667      0.413285      3.420269
  C      -5.995373      0.552716      2.281857
  N      -6.633222      1.711632      2.126728
  C      -7.458712      1.869917      1.052593
  N      -7.712550      0.986069      0.118336
  C      -7.093290     -0.227940      0.250470
  C      -7.338217     -1.229663     -0.718007
  C      -6.726683     -2.461423     -0.605516
  C      -5.854553     -2.738149      0.473419
  C      -5.597053     -1.778751      1.431059
  C      -6.207480     -0.502099      1.341906
  C      -4.040209      6.772002      5.661977
  C      -3.252218      7.675511      4.699070
  C      -2.917653      7.011311      3.365174
  C      -4.100098      6.696679      2.488042
  N      -5.261247      7.277070      2.763464
  C      -6.342207      6.897077      2.034301
  N      -6.398002      5.966846      1.098294
  C      -5.197708      5.403473      0.744615
  C      -5.165884      4.440361     -0.291882
  C      -3.961114      3.895044     -0.690666
  C      -2.753841      4.285445     -0.068115
  C      -2.762964      5.203117      0.964639
  C      -3.982341      5.775946      1.397328
  C      -6.280160      2.557324      6.860655
  C      -6.918623      3.859075      7.365540
  C      -8.405811      3.735206      7.682296
  C      -9.341190      3.549945      6.516243
  N      -8.878900      3.702358      5.277692
  C      -9.760451      3.556692      4.245660
  N     -11.039690      3.277899      4.317907
  C     -11.548895      3.113580      5.577869
  C     -12.923731      2.815492      5.728109
  C     -13.459948      2.656170      6.989383
  C     -12.646727      2.786894      8.139128
  C     -11.301529      3.072797      8.019333
  C     -10.720928      3.241405      6.737169
  H      -2.179677      2.036060      2.208958
  H      -3.833139      2.644670      2.383484
  H      -2.913651     -0.006209      3.637261
  H      -3.443532      0.086727      1.963308
  H      -5.169814     -0.567839      3.896438
  H      -5.244712      1.174848      4.184986
  H      -7.942455      2.848672      0.970154
  H      -8.017863     -0.996384     -1.538299
  H      -6.917789     -3.233694     -1.352181
  H      -5.384749     -3.719792      0.546921
  H      -4.923836     -2.004599      2.258058
  H      -5.021056      6.551936      5.227023
  H      -4.210187      7.330951      6.602391
  H      -2.312351      7.997853      5.173347
  H      -3.850687      8.581997      4.527474
  H      -2.224267      7.652080      2.792264
  H      -2.368374      6.072204      3.546080
  H      -7.279935      7.407599      2.278612
  H      -6.105675      4.167477     -0.774046
  H      -3.936981      3.163078     -1.499635
  H      -1.810329      3.852946     -0.404311
  H      -1.827638      5.492074      1.444224
  H      -6.523926      1.738159      7.563456
  H      -6.727267      2.272629      5.895565
  H      -6.397372      4.170128      8.283920
  H      -6.745987      4.657102      6.626440
  H      -8.564850      2.905128      8.390574
  H      -8.741064      4.638588      8.221809
  H      -9.340637      3.689481      3.242947
  H     -13.530681      2.722236      4.826827
  H     -14.520678      2.428506      7.105391
  H     -13.089301      2.660625      9.128121
  H     -10.688336      3.173418      8.914742
  N      -5.186520      4.173393      4.103848
  N      -6.532631      3.959653      3.687248
  H      -7.244404      3.887835      4.475244
  H      -6.576616      3.037709      3.081424
  H      -6.823469      4.731910      3.065772
100
Coordinates from ORCA-job orca E -6259.560564688362
  N      -2.719534      2.610538      4.179080
  Mo     -3.912206      3.727693      5.335332
  N      -4.837985      2.689542      6.739192
  C      -4.099285      2.269875      7.930496
  C      -2.629528      2.088895      7.584607
  N      -2.167654      3.238019      6.773426
  C      -1.016558      2.904570      5.905899
  C      -1.489805      2.056383      4.736726
  C      -1.917142      4.449987      7.588293
  C      -2.129500      5.681755      6.722545
  N      -3.371361      5.526382      5.967908
  H      -0.697091      2.036729      3.965332
  H      -1.625157      1.005200      5.060307
  H      -0.609926      3.852402      5.527451
  H      -0.220763      2.395739      6.479127
  H      -2.187502      6.572959      7.373499
  H      -1.263929      5.845852      6.052297
  H      -2.650063      4.460699      8.406561
  H      -0.906627      4.420221      8.033272
  H      -4.490891      1.309925      8.313121
  H      -4.221366      3.003326      8.753360
  H      -2.517595      1.187212      6.966940
  H      -2.007595      1.967154      8.488639
  C      -3.068962      2.018193      2.890317
  C      -3.571816      0.566249      2.953627
  C      -5.042954      0.432359      3.415477
  C      -6.002774      0.603089      2.274726
  N      -6.625581      1.772425      2.131206
  C      -7.437329      1.958305      1.051007
  N      -7.693621      1.092696      0.100792
  C      -7.087597     -0.130003      0.217682
  C      -7.330771     -1.110258     -0.772820
  C      -6.730570     -2.349117     -0.678938
  C      -5.871908     -2.654204      0.402969
  C      -5.616945     -1.715967      1.382240
  C      -6.216675     -0.433073      1.313297
  C      -4.016795      6.794503      5.625494
  C      -3.216114      7.664655      4.641196
  C      -2.889703      6.967390      3.320762
  C      -4.071183      6.666408      2.435815
  N      -5.209537      7.310758      2.661905
  C      -6.289944      6.953000      1.921144
  N      -6.368921      5.986451      1.023668
  C      -5.186027      5.366227      0.708023
  C      -5.174802      4.368424     -0.295235
  C      -3.986410      3.760611     -0.649702
  C      -2.775852      4.124669     -0.018358
  C      -2.765782      5.078479      0.981172
  C      -3.969357      5.710601      1.373085
  C      -6.288976      2.584082      6.882680
  C      -6.940840      3.878575      7.389170
  C      -8.424989      3.731201      7.714909
  C      -9.361422      3.535127      6.551360
  N      -8.909007      3.725836      5.315137
  C      -9.787829      3.582339      4.281342
  N     -11.059407      3.269610      4.350523
  C     -11.560187      3.066392      5.608593
  C     -12.926717      2.731118      5.756021
  C     -13.455489      2.533899      7.015005
  C     -12.643337      2.663546      8.165749
  C     -11.306342      2.986242      8.049314
  C     -10.733111      3.192806      6.769512
  H      -2.172054      2.039579      2.242286
  H      -3.827467      2.651687      2.411508
  H      -2.929924     -0.018282      3.629119
  H      -3.458928      0.111360      1.957060
  H      -5.197187     -0.556150      3.871616
  H      -5.255547      1.180427      4.193913
  H      -7.919771      2.939229      0.988264
  H      -7.999241     -0.853903     -1.595394
  H      -6.919435     -3.104543     -1.443150
  H      -5.410097     -3.640688      0.461552
  H      -4.952410     -1.963655      2.210079
  H      -5.000787      6.577362      5.197617
  H      -4.179064      7.378377      6.552307
  H      -2.270307      7.981320      5.107345
  H      -3.800553      8.576393      4.450810
  H      -2.183175      7.588474      2.741403
  H      -2.358782      6.022434      3.521190
  H      -7.212276      7.503809      2.134961
  H      -6.114701      4.117248     -0.788301
  H      -3.978108      3.001920     -1.434281
  H      -1.844583      3.644141     -0.322103
  H      -1.829334      5.346821      1.469990
  H      -6.525415      1.768124      7.591183
  H      -6.734712      2.290997      5.919771
  H      -6.419604      4.194103      8.306032
  H      -6.781496      4.681941      6.652649
  H      -8.563153      2.892671      8.418203
  H      -8.774031      4.622657      8.265092
  H      -9.372669      3.750235      3.280515
  H     -13.533930      2.639737      4.854813
  H     -14.509814      2.277164      7.128540
  H     -13.080624      2.506335      9.152618
  H     -10.693397      3.084360      8.945203
  N      -5.177653      4.178311      4.108082
  N      -6.516337      3.946858      3.684653
  H      -7.239482      3.898823      4.464619
  H      -6.548526      2.998320      3.122903
  H      -6.807826      4.692010      3.031114
100
Coordinates from ORCA-job orca E -6259.561003571012
  N      -2.720576      2.616249      4.158138
  Mo     -3.912728      3.723563      5.324152
  N      -4.832475      2.674890      6.723382
  C      -4.091114      2.242635      7.908352
  C      -2.621625      2.066918      7.556689
  N      -2.163480      3.224641      6.754191
  C      -1.013047      2.905790      5.880798
  C      -1.484833      2.066502      4.706090
  C      -1.917542      4.429454      7.581086
  C      -2.136124      5.670519      6.730933
  N      -3.374794      5.517109      5.970621
  H      -0.694927      2.058114      3.931496
  H      -1.612593      1.011362      5.020446
  H      -0.614305      3.860129      5.509902
  H      -0.212542      2.396931      6.447440
  H      -2.201677      6.551686      7.394314
  H      -1.269076      5.849183      6.066076
  H      -2.649308      4.425683      8.400308
  H      -0.905888      4.400717      8.023624
  H      -4.482688      1.278738      8.281284
  H      -4.209818      2.966848      8.739571
  H      -2.508709      1.170154      6.932336
  H      -1.998540      1.938922      8.459241
  C      -3.073076      2.021432      2.871665
  C      -3.568245      0.566565      2.948315
  C      -5.036348      0.424357      3.416123
  C      -6.000958      0.577089      2.278008
  N      -6.636399      1.738737      2.132451
  C      -7.458765      1.909478      1.057890
  N      -7.711511      1.035826      0.113912
  C      -7.094158     -0.180535      0.235089
  C      -7.336887     -1.170969     -0.745413
  C      -6.726825     -2.404508     -0.645079
  C      -5.858546     -2.694246      0.433473
  C      -5.603590     -1.746012      1.402931
  C      -6.212651     -0.467917      1.326563
  C      -4.028577      6.785774      5.646671
  C      -3.234490      7.674396      4.674370
  C      -2.902774      6.993426      3.347740
  C      -4.084888      6.680245      2.469176
  N      -5.236721      7.289524      2.721283
  C      -6.318142      6.914438      1.990456
  N      -6.383426      5.964689      1.074525
  C      -5.190272      5.375128      0.739403
  C      -5.167480      4.390903     -0.277189
  C      -3.969741      3.814787     -0.652955
  C      -2.760716      4.197084     -0.029133
  C      -2.761307      5.137119      0.983354
  C      -3.974051      5.738372      1.395507
  C      -6.283009      2.571105      6.867303
  C      -6.928859      3.869331      7.371594
  C      -8.414642      3.733842      7.692213
  C      -9.350952      3.541625      6.527896
  N      -8.893197      3.705759      5.289395
  C      -9.774299      3.557357      4.257663
  N     -11.050298      3.264199      4.330368
  C     -11.555313      3.087348      5.590435
  C     -12.926496      2.773211      5.741326
  C     -13.458835      2.601460      7.002559
  C     -12.645410      2.735514      8.151833
  C     -11.303789      3.037271      8.031640
  C     -10.727102      3.218653      6.749482
  H      -2.179488      2.043793      2.219112
  H      -3.833736      2.653470      2.393146
  H      -2.921222     -0.006575      3.628759
  H      -3.452628      0.103165      1.956231
  H      -5.180648     -0.560580      3.883024
  H      -5.250134      1.179218      4.187756
  H      -7.943797      2.888516      0.986807
  H      -8.013382     -0.927276     -1.565280
  H      -6.915847     -3.167952     -1.401278
  H      -5.389491     -3.676947      0.497236
  H      -4.932505     -1.981830      2.228900
  H      -5.010839      6.567193      5.214556
  H      -4.195078      7.355132      6.581528
  H      -2.292266      7.994981      5.145070
  H      -3.827005      8.582910      4.493213
  H      -2.204911      7.625130      2.769881
  H      -2.359885      6.053082      3.539440
  H      -7.248905      7.445253      2.217662
  H      -6.107616      4.124942     -0.762320
  H      -3.952593      3.066106     -1.446776
  H      -1.822477      3.740933     -0.348481
  H      -1.825151      5.419340      1.465354
  H      -6.523410      1.753079      7.572433
  H      -6.728605      2.282243      5.902875
  H      -6.408086      4.183962      8.289040
  H      -6.762922      4.669105      6.632699
  H      -8.563704      2.900587      8.399173
  H      -8.756692      4.632281      8.235531
  H      -9.357208      3.701816      3.254909
  H     -13.534031      2.677633      4.840715
  H     -14.516755      2.361301      7.118966
  H     -13.085165      2.598810      9.140684
  H     -10.690154      3.139637      8.926566
  N      -5.183303      4.182035      4.105546
  N      -6.527171      3.962579      3.686941
  H      -7.243659      3.907441      4.472328
  H      -6.569417      3.026176      3.103556
  H      -6.816004      4.721425      3.048240
100
Coordinates from ORCA-job orca E -6259.560974422960
  N      -2.722368      2.616949      4.150655
  Mo     -3.915760      3.719606      5.319362
  N      -4.827353      2.665124      6.719503
  C      -4.081718      2.239181      7.904263
  C      -2.611847      2.069131      7.549376
  N      -2.160748      3.228299      6.745146
  C      -1.011455      2.914856      5.868377
  C      -1.482325      2.073519      4.695111
  C      -1.918057      4.434125      7.572010
  C      -2.147003      5.675193      6.724553
  N      -3.386264      5.515082      5.966423
  H      -0.694556      2.069071      3.918325
  H      -1.604009      1.017659      5.009573
  H      -0.618675      3.871297      5.496373
  H      -0.206778      2.410091      6.432755
  H      -2.217048      6.554448      7.389929
  H      -1.282368      5.860989      6.058442
  H      -2.645984      4.425212      8.394595
  H      -0.904240      4.410837      8.009897
  H      -4.468376      1.274437      8.280072
  H      -4.201471      2.964560      8.734248
  H      -2.496231      1.172090      6.925952
  H      -1.986307      1.944997      8.450766
  C      -3.075577      2.019607      2.865631
  C      -3.571176      0.564985      2.944993
  C      -5.040422      0.423897      3.410108
  C      -6.003151      0.577936      2.270487
  N      -6.637787      1.740096      2.124449
  C      -7.458070      1.911893      1.048503
  N      -7.710528      1.038494      0.104178
  C      -7.094262     -0.178302      0.225870
  C      -7.336715     -1.168550     -0.754898
  C      -6.727730     -2.402573     -0.653889
  C      -5.860736     -2.692981      0.425527
  C      -5.605926     -1.744942      1.395202
  C      -6.213999     -0.466388      1.318227
  C      -4.051292      6.779636      5.649360
  C      -3.267116      7.680019      4.679945
  C      -2.924180      7.004972      3.353036
  C      -4.101550      6.667003      2.477200
  N      -5.264737      7.253695      2.730530
  C      -6.340531      6.853971      2.004510
  N      -6.389763      5.897826      1.094202
  C      -5.185845      5.331360      0.757590
  C      -5.146206      4.342881     -0.254408
  C      -3.938055      3.790211     -0.632176
  C      -2.734947      4.200599     -0.014788
  C      -2.751462      5.145104      0.993381
  C      -3.974947      5.723052      1.407234
  C      -6.277479      2.562389      6.869036
  C      -6.917989      3.858903      7.385092
  C      -8.404656      3.728519      7.703865
  C      -9.340866      3.557366      6.536155
  N      -8.881328      3.740430      5.301018
  C      -9.761647      3.612617      4.265884
  N     -11.038900      3.323547      4.332511
  C     -11.546131      3.128453      5.589067
  C     -12.918958      2.818445      5.733328
  C     -13.453640      2.628988      6.991059
  C     -12.640993      2.740733      8.143252
  C     -11.297781      3.037945      8.029459
  C     -10.718695      3.237092      6.751044
  H      -2.182444      2.040801      2.212392
  H      -3.835923      2.650837      2.386036
  H      -2.925775     -0.006293      3.628565
  H      -3.453172      0.098977      1.954429
  H      -5.186079     -0.560890      3.876924
  H      -5.254348      1.179079      4.181318
  H      -7.942732      2.891105      0.977238
  H      -8.012237     -0.924483     -1.575454
  H      -6.916719     -3.165929     -1.410185
  H      -5.392580     -3.676079      0.489768
  H      -4.936037     -1.981262      2.222002
  H      -5.031948      6.553936      5.217207
  H      -4.221954      7.343013      6.587074
  H      -2.330107      8.012647      5.152698
  H      -3.871289      8.580818      4.498909
  H      -2.239050      7.649086      2.773708
  H      -2.363149      6.075375      3.544798
  H      -7.281632      7.365091      2.234173
  H      -6.082427      4.055210     -0.734718
  H      -3.908012      3.038201     -1.422447
  H      -1.788603      3.762554     -0.335555
  H      -1.819336      5.449537      1.469761
  H      -6.516884      1.739816      7.569234
  H      -6.727337      2.281082      5.904360
  H      -6.395809      4.162631      8.305401
  H      -6.748005      4.664569      6.653602
  H      -8.559865      2.888237      8.401007
  H      -8.741227      4.623160      8.256858
  H      -9.342401      3.771504      3.266046
  H     -13.525792      2.740312      4.830563
  H     -14.512823      2.392027      7.102415
  H     -13.082559      2.590383      9.129310
  H     -10.684821      3.123073      8.926636
  N      -5.192773      4.172202      4.105567
  N      -6.537226      3.947930      3.691578
  H      -7.250317      3.881417      4.479488
  H      -6.573928      3.015551      3.100235
  H      -6.833011      4.709798      3.059640
100
Coordinates from ORCA-job orca E -6259.561022428277
  N      -2.722921      2.618833      4.152888
  Mo     -3.913371      3.725565      5.320873
  N      -4.828970      2.674312      6.720833
  C      -4.085760      2.246383      7.906189
  C      -2.616396      2.071973      7.552591
  N      -2.160947      3.229310      6.747891
  C      -1.012179      2.911187      5.871981
  C      -1.485428      2.070835      4.698634
  C      -1.914386      4.434778      7.573809
  C      -2.137688      5.675626      6.724572
  N      -3.377540      5.519828      5.966561
  H      -0.697071      2.062930      3.922450
  H      -1.611384      1.015659      5.013683
  H      -0.615608      3.865907      5.499645
  H      -0.209680      2.403783      6.437104
  H      -2.203859      6.556307      7.388485
  H      -1.272353      5.856507      6.058050
  H      -2.643341      4.429699      8.395532
  H      -0.901189      4.407769      8.012905
  H      -4.475401      1.282757      8.281881
  H      -4.204306      2.972343      8.735870
  H      -2.503276      1.174434      6.929415
  H      -1.991824      1.946086      8.454406
  C      -3.077839      2.022534      2.867846
  C      -3.573880      0.568146      2.947319
  C      -5.042017      0.427223      3.415641
  C      -6.007451      0.581971      2.278499
  N      -6.643335      1.743773      2.135691
  C      -7.466653      1.916549      1.062212
  N      -7.720137      1.044611      0.116839
  C      -7.102552     -0.171896      0.235212
  C      -7.346101     -1.160588     -0.746833
  C      -6.736180     -2.394409     -0.649028
  C      -5.867262     -2.686198      0.428462
  C      -5.611307     -1.739633      1.399277
  C      -6.219982     -0.461214      1.325353
  C      -4.035342      6.787272      5.645913
  C      -3.243509      7.680421      4.675841
  C      -2.905108      7.001077      3.349990
  C      -4.083989      6.677110      2.471080
  N      -5.239520      7.281205      2.718611
  C      -6.318175      6.895164      1.989506
  N      -6.377627      5.937910      1.080970
  C      -5.180781      5.353186      0.750324
  C      -5.151703      4.361587     -0.258941
  C      -3.950356      3.790009     -0.630180
  C      -2.743832      4.184150     -0.008922
  C      -2.750370      5.131667      0.996537
  C      -3.966874      5.728777      1.403826
  C      -6.279344      2.568883      6.866237
  C      -6.926254      3.865457      7.373596
  C      -8.412224      3.728779      7.693182
  C      -9.348214      3.542015      6.527626
  N      -8.890090      3.712750      5.290178
  C      -9.770454      3.569380      4.257118
  N     -11.046391      3.275522      4.327680
  C     -11.551987      3.092098      5.586633
  C     -12.923185      2.776943      5.735180
  C     -13.456166      2.598590      6.995244
  C     -12.643359      2.726759      8.145614
  C     -11.301694      3.029277      8.027701
  C     -10.724370      3.217445      6.746812
  H      -2.185159      2.043372      2.213962
  H      -3.838339      2.654656      2.389246
  H      -2.927244     -0.003953      3.629054
  H      -3.458257      0.102800      1.956172
  H      -5.186809     -0.557939      3.881983
  H      -5.254276      1.181748      4.187981
  H      -7.951811      2.895679      0.993410
  H      -8.023258     -0.915482     -1.565729
  H      -6.926012     -3.156578     -1.406310
  H      -5.398522     -3.669168      0.490309
  H      -4.939919     -1.977047      2.224548
  H      -5.016679      6.566413      5.212836
  H      -4.204006      7.353823      6.582068
  H      -2.303998      8.005656      5.148759
  H      -3.840144      8.585990      4.493501
  H      -2.211714      7.637569      2.772014
  H      -2.354976      6.065337      3.543262
  H      -7.252549      7.420786      2.213872
  H      -6.090061      4.086450     -0.742388
  H      -3.928359      3.035487     -1.418329
  H      -1.802794      3.731287     -0.324692
  H      -1.815810      5.423637      1.475941
  H      -6.518299      1.748977      7.569742
  H      -6.725387      2.281480      5.901575
  H      -6.406026      4.178037      8.292054
  H      -6.760405      4.667145      6.636768
  H      -8.561978      2.892930      8.396857
  H      -8.754113      4.625390      8.239649
  H      -9.352437      3.718458      3.255275
  H     -13.530214      2.685953      4.833752
  H     -14.514114      2.357693      7.109865
  H     -13.083606      2.584885      9.133517
  H     -10.688549      3.127051      8.923472
  N      -5.188520      4.181991      4.106442
  N      -6.533654      3.961643      3.692670
  H      -7.247158      3.904063      4.481022
  H      -6.576035      3.025950      3.106444
  H      -6.825360      4.721422      3.056391
100
Coordinates from ORCA-job orca E -6259.561025977801
  N      -2.723728      2.619963      4.152428
  Mo     -3.915145      3.725832      5.320316
  N      -4.830488      2.672495      6.719117
  C      -4.087359      2.244286      7.904449
  C      -2.617812      2.071601      7.551539
  N      -2.163308      3.230089      6.748000
  C      -1.013848      2.913714      5.872336
  C      -1.485637      2.073440      4.698264
  C      -1.918129      4.435214      7.574772
  C      -2.141404      5.676212      6.725802
  N      -3.380824      5.520170      5.967147
  H      -0.696993      2.067137      3.922336
  H      -1.610204      1.017895      5.012621
  H      -0.618130      3.869049      5.500685
  H      -0.210977      2.406855      6.437418
  H      -2.208167      6.556779      7.389816
  H      -1.275886      5.857497      6.059646
  H      -2.647799      4.429365      8.395871
  H      -0.905300      4.408502      8.014720
  H      -4.476285      1.280047      8.279319
  H      -4.206862      2.969637      8.734533
  H      -2.503589      1.174751      6.927562
  H      -1.993402      1.945610      8.453440
  C      -3.078232      2.022721      2.867723
  C      -3.571881      0.567545      2.947980
  C      -5.040012      0.424099      3.415214
  C      -6.005206      0.578525      2.277873
  N      -6.643638      1.739079      2.136624
  C      -7.466816      1.911913      1.063063
  N      -7.717479      1.041186      0.115839
  C      -7.097064     -0.174077      0.232374
  C      -7.337382     -1.161390     -0.751845
  C      -6.724811     -2.394041     -0.655816
  C      -5.856443     -2.686019      0.422062
  C      -5.603536     -1.740732      1.394922
  C      -6.214845     -0.463473      1.322770
  C      -4.037569      6.787595      5.644273
  C      -3.244349      7.678508      4.673250
  C      -2.906087      6.996905      3.348516
  C      -4.084675      6.674465      2.468704
  N      -5.239136      7.281509      2.714090
  C      -6.317636      6.897346      1.983739
  N      -6.377777      5.940225      1.075115
  C      -5.181768      5.352600      0.746527
  C      -5.153454      4.360613     -0.262357
  C      -3.952925      3.785726     -0.631151
  C      -2.746509      4.177011     -0.007920
  C      -2.752347      5.125062      0.997066
  C      -3.968088      5.725325      1.402062
  C      -6.280756      2.567548      6.865457
  C      -6.926074      3.862650      7.378483
  C      -8.411592      3.725382      7.699604
  C      -9.348849      3.545832      6.534091
  N      -8.891255      3.722351      5.297311
  C      -9.772298      3.585305      4.264021
  N     -11.048599      3.292804      4.333859
  C     -11.553679      3.103500      5.592172
  C     -12.925165      2.789241      5.739933
  C     -13.457572      2.604871      6.999378
  C     -12.643910      2.726002      8.149904
  C     -11.301967      3.027591      8.032748
  C     -10.725239      3.221819      6.752504
  H      -2.185695      2.044465      2.213640
  H      -3.839740      2.653702      2.389019
  H      -2.924842     -0.002915      3.630712
  H      -3.454723      0.101560      1.957325
  H      -5.183593     -0.561921      3.880185
  H      -5.253924      1.177228      4.188427
  H      -7.954282      2.889997      0.995879
  H      -8.014271     -0.916181     -1.570931
  H      -6.912128     -3.155140     -1.414796
  H      -5.385688     -3.668109      0.482578
  H      -4.932565     -1.978305      2.220481
  H      -5.018874      6.566839      5.211065
  H      -4.206260      7.355749      6.579437
  H      -2.304594      8.003177      5.146055
  H      -3.839832      8.584542      4.489456
  H      -2.211109      7.631614      2.770444
  H      -2.357869      6.060358      3.543241
  H      -7.250964      7.425794      2.205816
  H      -6.091601      4.087781     -0.747507
  H      -3.931524      3.030868     -1.419007
  H      -1.806076      3.721606     -0.321845
  H      -1.817896      5.414918      1.477962
  H      -6.519416      1.745515      7.566575
  H      -6.728074      2.283658      5.900321
  H      -6.404408      4.171428      8.297409
  H      -6.760884      4.667161      6.644584
  H      -8.560912      2.885471      8.398569
  H      -8.752172      4.618949      8.251818
  H      -9.354687      3.739263      3.262808
  H     -13.532885      2.703688      4.838439
  H     -14.515736      2.364623      7.113385
  H     -13.083737      2.579395      9.137304
  H     -10.688099      3.119899      8.928611
  N      -5.190368      4.181875      4.105788
  N      -6.535382      3.961668      3.691665
  H      -7.249925      3.906636      4.479169
  H      -6.578550      3.024411      3.107353
  H      -6.825863      4.720181      3.053330
100
Coordinates from ORCA-job orca E -6259.561031411800
  N      -2.724743      2.619734      4.151287
  Mo     -3.914863      3.727295      5.318681
  N      -4.829716      2.673275      6.717269
  C      -4.087241      2.247977      7.904004
  C      -2.617617      2.074689      7.551555
  N      -2.163035      3.232205      6.746532
  C      -1.014138      2.914590      5.870508
  C      -1.486566      2.073508      4.697199
  C      -1.916719      4.437896      7.572097
  C      -2.140477      5.678311      6.722437
  N      -3.380546      5.521895      5.964869
  H      -0.698150      2.066517      3.921034
  H      -1.611184      1.018213      5.012386
  H      -0.618273      3.869484      5.497863
  H      -0.211138      2.407965      6.435611
  H      -2.206589      6.559349      7.385881
  H      -1.275528      5.859028      6.055383
  H      -2.645526      4.432903      8.393981
  H      -0.903452      4.411196      8.011037
  H      -4.476126      1.284501      8.280903
  H      -4.207013      2.975171      8.732417
  H      -2.503482      1.177061      6.928674
  H      -1.993184      1.949848      8.453586
  C      -3.080727      2.020669      2.867823
  C      -3.576019      0.566254      2.950908
  C      -5.044816      0.425238      3.416810
  C      -6.009246      0.581050      2.278976
  N      -6.647881      1.741625      2.138516
  C      -7.470199      1.915642      1.064477
  N      -7.719680      1.046098      0.115868
  C      -7.099272     -0.169237      0.231588
  C      -7.338454     -1.155353     -0.754101
  C      -6.726147     -2.388192     -0.658757
  C      -5.859264     -2.681579      0.419932
  C      -5.607364     -1.737413      1.394141
  C      -6.218266     -0.459926      1.322621
  C      -4.037474      6.789314      5.642254
  C      -3.243826      7.681012      4.672251
  C      -2.903481      6.999890      3.347785
  C      -4.081241      6.674711      2.467885
  N      -5.236064      7.281924      2.711078
  C      -6.314099      6.894974      1.981565
  N      -6.373392      5.935165      1.075720
  C      -5.176903      5.347432      0.749052
  C      -5.147664      4.352582     -0.256982
  C      -3.946589      3.777646     -0.623960
  C      -2.740573      4.171708     -0.001740
  C      -2.747316      5.122531      1.000620
  C      -3.963627      5.722866      1.403792
  C      -6.279941      2.567359      6.863191
  C      -6.926445      3.861488      7.377159
  C      -8.411621      3.722262      7.699099
  C      -9.349519      3.543401      6.534008
  N      -8.892803      3.721653      5.297158
  C      -9.774299      3.585242      4.264190
  N     -11.050418      3.292066      4.334409
  C     -11.554628      3.100943      5.592805
  C     -12.925850      2.785785      5.740998
  C     -13.457392      2.599448      7.000529
  C     -12.643094      2.719464      8.150712
  C     -11.301383      3.021950      8.033129
  C     -10.725554      3.218209      6.752802
  H      -2.188502      2.040351      2.213246
  H      -3.841626      2.651757      2.388346
  H      -2.930499     -0.003161      3.635942
  H      -3.458121      0.097662      1.961574
  H      -5.190098     -0.560745      3.881402
  H      -5.258192      1.178424      4.190096
  H      -7.957733      2.893741      0.998071
  H      -8.014342     -0.909110     -1.573702
  H      -6.912593     -3.148369     -1.418875
  H      -5.388854     -3.663862      0.479992
  H      -4.937600     -1.976091      2.220356
  H      -5.018422      6.568414      5.208310
  H      -4.206973      7.356938      6.577588
  H      -2.304836      8.006408      5.146059
  H      -3.839855      8.586564      4.487908
  H      -2.210068      7.636421      2.769803
  H      -2.353044      6.064730      3.542669
  H      -7.247736      7.423774      2.201515
  H      -6.085471      4.077655     -0.741614
  H      -3.924461      3.020596     -1.409695
  H      -1.799739      3.716158     -0.314252
  H      -1.813137      5.414672      1.480647
  H      -6.518085      1.744569      7.563652
  H      -6.726810      2.283819      5.897756
  H      -6.404704      4.170450      8.295975
  H      -6.762686      4.666557      6.643557
  H      -8.559601      2.881203      8.396973
  H      -8.752685      4.614681      8.252883
  H      -9.357233      3.740482      3.262968
  H     -13.534086      2.701098      4.839769
  H     -14.515358      2.358485      7.114858
  H     -13.082247      2.571288      9.138178
  H     -10.686987      3.113400      8.928726
  N      -5.191269      4.182994      4.105317
  N      -6.536818      3.963521      3.693059
  H      -7.250770      3.909849      4.481244
  H      -6.580892      3.025419      3.109337
  H      -6.827073      4.721458      3.053915
100
Coordinates from ORCA-job orca E -6259.561038472088
  N      -2.722799      2.619052      4.151231
  Mo     -3.911904      3.729076      5.316787
  N      -4.825893      2.670426      6.712805
  C      -4.084765      2.249441      7.901965
  C      -2.614341      2.078343      7.551635
  N      -2.161362      3.236174      6.746152
  C      -1.012117      2.920223      5.869906
  C      -1.482627      2.077391      4.697016
  C      -1.916569      4.442222      7.571752
  C      -2.141804      5.682496      6.722402
  N      -3.381289      5.524324      5.964122
  H      -0.694385      2.072663      3.920620
  H      -1.603693      1.021724      5.012460
  H      -0.618360      3.875771      5.496663
  H      -0.207802      2.415658      6.434984
  H      -2.209735      6.563213      7.386088
  H      -1.276860      5.864896      6.055813
  H      -2.645412      4.436024      8.393592
  H      -0.903295      4.416730      8.010731
  H      -4.472347      1.285948      8.280187
  H      -4.206925      2.978117      8.728663
  H      -2.497977      1.180437      6.929590
  H      -1.990414      1.955611      8.454261
  C      -3.081359      2.012764      2.871887
  C      -3.579807      0.560025      2.964492
  C      -5.051285      0.425327      3.423419
  C      -6.011307      0.584708      2.282310
  N      -6.649017      1.745888      2.141965
  C      -7.467465      1.922765      1.065454
  N      -7.713544      1.055643      0.113760
  C      -7.094360     -0.160302      0.229134
  C      -7.330268     -1.143971     -0.759788
  C      -6.720062     -2.377834     -0.664269
  C      -5.858847     -2.674808      0.417971
  C      -5.609874     -1.732920      1.395133
  C      -6.218182     -0.454195      1.323196
  C      -4.038041      6.791266      5.639009
  C      -3.244316      7.680885      4.667247
  C      -2.904492      6.997523      3.343756
  C      -4.082857      6.670743      2.465191
  N      -5.236978      7.279856      2.707013
  C      -6.315370      6.892717      1.978115
  N      -6.375736      5.931030      1.074352
  C      -5.179921      5.341188      0.749000
  C      -5.151720      4.344636     -0.255375
  C      -3.951283      3.767379     -0.620881
  C      -2.744986      4.160727      0.001182
  C      -2.750736      5.113429      1.001795
  C      -3.966326      5.716263      1.403334
  C      -6.276158      2.562313      6.857476
  C      -6.924884      3.853309      7.376526
  C      -8.409540      3.709989      7.699328
  C      -9.349076      3.540697      6.534072
  N      -8.893646      3.726633      5.297860
  C      -9.776710      3.599069      4.265066
  N     -11.053360      3.308192      4.334883
  C     -11.556288      3.109256      5.592591
  C     -12.927963      2.796032      5.740449
  C     -13.458135      2.601601      6.999368
  C     -12.641969      2.711403      8.149224
  C     -11.299785      3.011984      8.031921
  C     -10.725412      3.216467      6.752260
  H      -2.189665      2.026829      2.216425
  H      -3.841010      2.642667      2.388990
  H      -2.939665     -0.004315      3.658729
  H      -3.457023      0.082171      1.980223
  H      -5.202184     -0.560468      3.886866
  H      -5.264878      1.178819      4.196237
  H      -7.954622      2.901084      0.999836
  H      -8.002276     -0.895157     -1.581802
  H      -6.904056     -3.136140     -1.426850
  H      -5.390558     -3.658078      0.478457
  H      -4.944791     -1.974490      2.224270
  H      -5.019147      6.569752      5.205726
  H      -4.207158      7.360681      6.573303
  H      -2.305169      8.006889      5.140307
  H      -3.840151      8.586230      4.481345
  H      -2.211985      7.633697      2.764293
  H      -2.353420      6.062920      3.539423
  H      -7.248639      7.422387      2.197535
  H      -6.089672      4.070269     -0.740034
  H      -3.929934      3.008890     -1.405249
  H      -1.804695      3.703193     -0.310071
  H      -1.816312      5.405285      1.481455
  H      -6.513463      1.736254      7.554476
  H      -6.722058      2.281881      5.890720
  H      -6.403022      4.160108      8.295978
  H      -6.763649      4.661374      6.645687
  H      -8.556094      2.862575      8.389851
  H      -8.750398      4.597024      8.261793
  H      -9.360357      3.760108      3.264457
  H     -13.537674      2.719222      4.839514
  H     -14.516452      2.362068      7.113426
  H     -13.080055      2.556840      9.136185
  H     -10.683790      3.095543      8.927208
  N      -5.190876      4.182083      4.105373
  N      -6.537458      3.965387      3.696975
  H      -7.249842      3.911839      4.486689
  H      -6.583454      3.027412      3.111618
  H      -6.827649      4.724237      3.058845
100
Coordinates from ORCA-job orca E -6259.561040754216
  N      -2.724786      2.617793      4.150283
  Mo     -3.912575      3.729726      5.315155
  N      -4.825676      2.670879      6.711346
  C      -4.085289      2.253008      7.901954
  C      -2.614893      2.080898      7.551779
  N      -2.161631      3.237724      6.744611
  C      -1.013048      2.920054      5.867980
  C      -1.484557      2.076292      4.696067
  C      -1.915163      4.444405      7.568584
  C      -2.140726      5.683770      6.717980
  N      -3.381603      5.525335      5.962025
  H      -0.696653      2.070582      3.919317
  H      -1.605859      1.020975      5.012602
  H      -0.618687      3.874907      5.493627
  H      -0.208826      2.415367      6.433096
  H      -2.206941      6.565475      7.380545
  H      -1.276830      5.864664      6.049649
  H      -2.643046      4.439771      8.391300
  H      -0.901428      4.418735      8.006502
  H      -4.473082      1.290630      8.282829
  H      -4.207386      2.984024      8.726599
  H      -2.498997      1.182223      6.930745
  H      -1.990794      1.959141      8.454405
  C      -3.085151      2.009076      2.872542
  C      -3.584920      0.556990      2.968755
  C      -5.057103      0.424824      3.425925
  C      -6.015503      0.585762      2.283624
  N      -6.651650      1.747686      2.142684
  C      -7.468484      1.925780      1.065117
  N      -7.714016      1.059331      0.112693
  C      -7.096566     -0.157447      0.228712
  C      -7.332247     -1.140511     -0.760868
  C      -6.723974     -2.375265     -0.664680
  C      -5.864998     -2.673744      0.418924
  C      -5.616255     -1.732436      1.396698
  C      -6.222526     -0.452781      1.324075
  C      -4.038974      6.792139      5.637754
  C      -3.245310      7.683522      4.667577
  C      -2.902746      7.001887      3.343886
  C      -4.079651      6.672510      2.464258
  N      -5.235090      7.279606      2.704893
  C      -6.312278      6.889811      1.975662
  N      -6.370174      5.927454      1.072456
  C      -5.173022      5.339738      0.748223
  C      -5.142189      4.342826     -0.255706
  C      -3.940348      3.767848     -0.620181
  C      -2.735222      4.163866      0.002459
  C      -2.743506      5.116897      1.002727
  C      -3.960582      5.717488      1.403198
  C      -6.275785      2.562058      6.856222
  C      -6.924899      3.852176      7.377150
  C      -8.409260      3.707513      7.700721
  C      -9.348882      3.538312      6.535649
  N      -8.893228      3.724375      5.299562
  C      -9.775985      3.596254      4.266609
  N     -11.052498      3.304624      4.336169
  C     -11.555578      3.105334      5.593779
  C     -12.927038      2.791027      5.741357
  C     -13.457304      2.596055      7.000150
  C     -12.641437      2.706320      8.150182
  C     -11.299464      3.007937      8.033166
  C     -10.724999      3.213046      6.753631
  H      -2.194097      2.021030      2.216206
  H      -3.844898      2.638650      2.389201
  H      -2.946250     -0.005771      3.665639
  H      -3.461385      0.075946      1.986148
  H      -5.210252     -0.560864      3.888899
  H      -5.270521      1.178396      4.198682
  H      -7.954241      2.904767      0.999014
  H      -8.002597     -0.890486     -1.583864
  H      -6.907787     -3.133107     -1.427766
  H      -5.398274     -3.657721      0.479990
  H      -4.952901     -1.975217      2.226864
  H      -5.019616      6.570260      5.203631
  H      -4.209240      7.360566      6.572468
  H      -2.307097      8.010448      5.141861
  H      -3.842175      8.588209      4.481780
  H      -2.212229      7.641137      2.765388
  H      -2.348676      6.069021      3.538989
  H      -7.246656      7.418017      2.193914
  H      -6.079196      4.066266     -0.740910
  H      -3.917046      3.009191     -1.404336
  H      -1.793804      3.708191     -0.308104
  H      -1.809985      5.410862      1.482904
  H      -6.512621      1.735160      7.552394
  H      -6.721880      2.282604      5.889264
  H      -6.402621      4.158356      8.296552
  H      -6.764764      4.661113      6.647018
  H      -8.554608      2.859232      8.390454
  H      -8.750694      4.593621      8.264274
  H      -9.359546      3.757387      3.266030
  H     -13.536540      2.713826      4.840312
  H     -14.515464      2.355699      7.113958
  H     -13.079596      2.551258      9.137033
  H     -10.683705      3.091835      8.928581
  N      -5.192098      4.183085      4.104316
  N      -6.539315      3.967129      3.697198
  H      -7.251547      3.914389      4.487029
  H      -6.586354      3.028630      3.113008
  H      -6.829449      4.725329      3.058303
100
Coordinates from ORCA-job orca E -6259.561042075208
  N      -2.723469      2.617959      4.151655
  Mo     -3.911556      3.729848      5.316071
  N      -4.824570      2.668923      6.711287
  C      -4.083557      2.249980      7.901272
  C      -2.612977      2.080119      7.551570
  N      -2.161044      3.238456      6.745993
  C      -1.011817      2.923309      5.869256
  C      -1.481668      2.079365      4.696739
  C      -1.916684      4.444547      7.571478
  C      -2.142523      5.684458      6.721866
  N      -3.382617      5.525513      5.964855
  H      -0.693933      2.076204      3.919781
  H      -1.600214      1.023458      5.012377
  H      -0.618976      3.879083      5.495685
  H      -0.206805      2.419524      6.434062
  H      -2.210028      6.565595      7.385071
  H      -1.278215      5.866616      6.054434
  H      -2.645657      4.438240      8.393205
  H      -0.903487      4.419506      8.010660
  H      -4.470524      1.286663      8.280569
  H      -4.206399      2.979713      8.726942
  H      -2.495660      1.182319      6.929564
  H      -1.988993      1.958190      8.454243
  C      -3.084821      2.005753      2.875786
  C      -3.585513      0.554141      2.976331
  C      -5.059258      0.424138      3.428948
  C      -6.014197      0.586267      2.283822
  N      -6.649652      1.748445      2.141895
  C      -7.463500      1.927397      1.062209
  N      -7.706626      1.061642      0.108538
  C      -7.089803     -0.155359      0.225455
  C      -7.323125     -1.137736     -0.765379
  C      -6.715608     -2.372776     -0.668265
  C      -5.859721     -2.672220      0.417519
  C      -5.613287     -1.731588      1.396524
  C      -6.218891     -0.451650      1.323052
  C      -4.039292      6.792006      5.637970
  C      -3.246108      7.680351      4.664677
  C      -2.906137      6.995631      3.341934
  C      -4.083975      6.668006      2.462893
  N      -5.238995      7.275369      2.705026
  C      -6.316537      6.888138      1.974822
  N      -6.375045      5.928609      1.068669
  C      -5.178439      5.340268      0.743508
  C      -5.148415      4.345841     -0.262897
  C      -3.947275      3.769641     -0.627740
  C      -2.741995      4.162148     -0.003164
  C      -2.749440      5.113047      0.999148
  C      -3.965857      5.714739      1.400109
  C      -6.274658      2.559332      6.856097
  C      -6.924077      3.848531      7.379024
  C      -8.408318      3.703124      7.702776
  C      -9.348307      3.537508      6.537475
  N      -8.892214      3.723644      5.301556
  C      -9.775339      3.598390      4.268524
  N     -11.052518      3.309636      4.337896
  C     -11.556060      3.110501      5.595358
  C     -12.928247      2.799270      5.742770
  C     -13.458859      2.604457      7.001440
  C     -12.642653      2.711843      8.151521
  C     -11.300007      3.010488      8.034664
  C     -10.725183      3.215336      6.755247
  H      -2.194166      2.015612      2.218892
  H      -3.844708      2.634363      2.391323
  H      -2.949484     -0.005893      3.677836
  H      -3.458937      0.068754      1.996268
  H      -5.215184     -0.561414      3.891322
  H      -5.274046      1.177855      4.201135
  H      -7.949129      2.906412      0.995603
  H      -7.991151     -0.886958     -1.590033
  H      -6.897617     -3.130093     -1.432303
  H      -5.393559     -3.656417      0.479301
  H      -4.952320     -1.975166      2.228360
  H      -5.020587      6.569829      5.205454
  H      -4.208100      7.362914      6.571426
  H      -2.306854      8.007185      5.136977
  H      -3.842199      8.585345      4.477826
  H      -2.213917      7.631878      2.762177
  H      -2.354545      6.061526      3.538353
  H      -7.250470      7.416607      2.194339
  H      -6.085520      4.071845     -0.749343
  H      -3.924680      3.012771     -1.413638
  H      -1.801081      3.705615     -0.313999
  H      -1.815799      5.404186      1.480873
  H      -6.511267      1.731316      7.551008
  H      -6.720814      2.281215      5.888783
  H      -6.401490      4.153664      8.298584
  H      -6.764512      4.658486      6.649890
  H      -8.553655      2.852597      8.389806
  H      -8.749457      4.587339      8.269420
  H      -9.358646      3.759485      3.267996
  H     -13.538010      2.724261      4.841714
  H     -14.517571      2.366477      7.115115
  H     -13.081095      2.556925      9.138268
  H     -10.683950      3.092184      8.930078
  N      -5.191006      4.182370      4.104994
  N      -6.538196      3.967591      3.697948
  H      -7.250566      3.913628      4.487662
  H      -6.585093      3.029839      3.113086
  H      -6.828339      4.726682      3.060189
100
Coordinates from ORCA-job orca E -6259.561043391192
  N      -2.723919      2.617878      4.151371
  Mo     -3.911930      3.729455      5.315864
  N      -4.823602      2.667365      6.711107
  C      -4.081629      2.249315      7.900898
  C      -2.610937      2.080469      7.550479
  N      -2.160286      3.239370      6.745028
  C      -1.011277      2.925535      5.867553
  C      -1.480898      2.081095      4.695427
  C      -1.916641      4.445370      7.570913
  C      -2.144224      5.685415      6.721962
  N      -3.384674      5.525477      5.965790
  H      -0.693797      2.079068      3.917834
  H      -1.597729      1.024997      5.011053
  H      -0.619637      3.881764      5.493885
  H      -0.205431      2.422468      6.431809
  H      -2.212099      6.566292      7.385477
  H      -1.280443      5.868564      6.054088
  H      -2.645195      4.438065      8.392996
  H      -0.903209      4.421198      8.009609
  H      -4.467791      1.285873      8.280650
  H      -4.204570      2.979154      8.726458
  H      -2.493096      1.182835      6.928339
  H      -1.986491      1.958963      8.452887
  C      -3.086555      2.002615      2.877310
  C      -3.587917      0.551361      2.981677
  C      -5.062698      0.422789      3.431154
  C      -6.014607      0.586332      2.283649
  N      -6.647026      1.749868      2.139830
  C      -7.457597      1.930320      1.057926
  N      -7.700404      1.064731      0.104008
  C      -7.086597     -0.153610      0.222849
  C      -7.319879     -1.135862     -0.768138
  C      -6.715385     -2.372221     -0.669145
  C      -5.862578     -2.673114      0.418675
  C      -5.616246     -1.732654      1.397864
  C      -6.218888     -0.451411      1.322583
  C      -4.042462      6.791316      5.638711
  C      -3.249989      7.679946      4.665169
  C      -2.908874      6.994764      3.342979
  C      -4.085546      6.666972      2.462425
  N      -5.240915      7.274373      2.702779
  C      -6.316940      6.888525      1.969548
  N      -6.373765      5.930283      1.061936
  C      -5.176737      5.341575      0.739112
  C      -5.144785      4.348526     -0.268611
  C      -3.943166      3.771830     -0.631039
  C      -2.739260      4.162376     -0.002560
  C      -2.748624      5.112041      1.000890
  C      -3.965558      5.714460      1.399204
  C      -6.273529      2.556940      6.856308
  C      -6.923210      3.845860      7.379854
  C      -8.407469      3.700537      7.703651
  C      -9.347930      3.536125      6.538444
  N      -8.892339      3.722426      5.302339
  C      -9.776214      3.598164      4.269785
  N     -11.053543      3.310228      4.339763
  C     -11.556594      3.111295      5.597427
  C     -12.928975      2.801226      5.745538
  C     -13.459066      2.606798      7.004480
  C     -12.642150      2.713461      8.154135
  C     -11.299319      3.010959      8.036579
  C     -10.725015      3.215343      6.756860
  H      -2.196391      2.010282      2.219793
  H      -3.846653      2.630313      2.392009
  H      -2.953527     -0.006454      3.686441
  H      -3.459316      0.062676      2.003529
  H      -5.220837     -0.562609      3.893103
  H      -5.278403      1.176709      4.202831
  H      -7.940932      2.910374      0.989803
  H      -7.985478     -0.883898     -1.594393
  H      -6.897417     -3.129470     -1.433244
  H      -5.398739     -3.658318      0.481897
  H      -4.957727     -1.977433      2.231293
  H      -5.023562      6.568232      5.206227
  H      -4.211665      7.362346      6.572036
  H      -2.311137      8.007796      5.137605
  H      -3.846686      8.584405      4.477676
  H      -2.215753      7.630582      2.763830
  H      -2.357609      6.060673      3.540471
  H      -7.251199      7.416962      2.187798
  H      -6.080810      4.075843     -0.757867
  H      -3.919101      3.016000     -1.417884
  H      -1.797889      3.705409     -0.311378
  H      -1.816067      5.401646      1.485572
  H      -6.509803      1.728463      7.550792
  H      -6.719878      2.279293      5.888969
  H      -6.400452      4.150624      8.299435
  H      -6.763682      4.656039      6.650967
  H      -8.552919      2.849441      8.389986
  H      -8.748341      4.584279      8.271166
  H      -9.360147      3.759335      3.269012
  H     -13.539278      2.726808      4.844799
  H     -14.517917      2.369713      7.118705
  H     -13.080178      2.558904      9.141122
  H     -10.682727      3.092080      8.931678
  N      -5.191531      4.181951      4.104948
  N      -6.538997      3.968135      3.698256
  H      -7.250861      3.911681      4.488238
  H      -6.585716      3.031880      3.111969
  H      -6.829864      4.728534      3.062442
100
Coordinates from ORCA-job orca E -6259.561044755204
  N      -2.723748      2.618344      4.151637
  Mo     -3.911705      3.729673      5.316193
  N      -4.822698      2.667084      6.711619
  C      -4.079952      2.248906      7.900857
  C      -2.609352      2.080779      7.549882
  N      -2.159442      3.240248      6.744854
  C      -1.010498      2.927490      5.866967
  C      -1.479875      2.082774      4.694944
  C      -1.916475      4.446003      7.571283
  C      -2.144966      5.686299      6.722961
  N      -3.385392      5.525854      5.966980
  H      -0.693224      2.081640      3.916893
  H      -1.595455      1.026487      5.010400
  H      -0.619810      3.884126      5.493348
  H      -0.204037      2.425000      6.430862
  H      -2.213238      6.566881      7.386831
  H      -1.281351      5.870205      6.055043
  H      -2.645058      4.437801      8.393323
  H      -0.903031      4.422266      8.009960
  H      -4.465646      1.285220      8.280467
  H      -4.202790      2.978415      8.726727
  H      -2.491244      1.183419      6.927408
  H      -1.984681      1.959186      8.452130
  C      -3.087532      2.000954      2.878902
  C      -3.589585      0.550101      2.986113
  C      -5.065374      0.423060      3.432590
  C      -6.014538      0.587976      2.282943
  N      -6.644797      1.752516      2.137879
  C      -7.452746      1.934262      1.054220
  N      -7.694871      1.069059      0.099769
  C      -7.083308     -0.150270      0.219939
  C      -7.316217     -1.132215     -0.771453
  C      -6.714041     -2.369587     -0.671098
  C      -5.864002     -2.671839      0.418523
  C      -5.618103     -1.731732      1.398152
  C      -6.218370     -0.449460      1.321486
  C      -4.043291      6.791448      5.639160
  C      -3.251017      7.678976      4.664392
  C      -2.910526      6.992141      3.342952
  C      -4.087214      6.665169      2.462213
  N      -5.242138      7.273656      2.702024
  C      -6.317973      6.889345      1.967633
  N      -6.375064      5.931857      1.059258
  C      -5.178515      5.341610      0.737513
  C      -5.146884      4.348835     -0.270504
  C      -3.945801      3.770172     -0.631516
  C      -2.742057      4.158582     -0.001401
  C      -2.751118      5.108167      1.002119
  C      -3.967541      5.712527      1.399061
  C      -6.272473      2.556054      6.857175
  C      -6.922624      3.844736      7.380762
  C      -8.406884      3.699096      7.704306
  C      -9.347136      3.534362      6.538976
  N      -8.890992      3.718494      5.302783
  C      -9.774546      3.593030      4.270093
  N     -11.052028      3.305808      4.340061
  C     -11.555710      3.109349      5.597853
  C     -12.928335      2.800331      5.745943
  C     -13.458996      2.608317      7.005003
  C     -12.642439      2.716386      8.154795
  C     -11.299387      3.012853      8.037263
  C     -10.724509      3.214821      6.757414
  H      -2.197775      2.007045      2.220867
  H      -3.847750      2.628083      2.393095
  H      -2.956900     -0.006053      3.693731
  H      -3.459020      0.058790      2.009537
  H      -5.225536     -0.562177      3.894180
  H      -5.281885      1.177217      4.203786
  H      -7.934091      2.915206      0.984860
  H      -7.979684     -0.879187     -1.599100
  H      -6.895816     -3.126620     -1.435473
  H      -5.401967     -3.657822      0.482788
  H      -4.961772     -1.977609      2.232982
  H      -5.024598      6.568124      5.207259
  H      -4.211971      7.363308      6.572060
  H      -2.311941      8.007131      5.136181
  H      -3.847533      8.583387      4.476080
  H      -2.216040      7.626040      2.763351
  H      -2.360818      6.057360      3.541749
  H      -7.251840      7.418663      2.185457
  H      -6.082760      4.077733     -0.760918
  H      -3.922005      3.014403     -1.418424
  H      -1.801066      3.700026     -0.309019
  H      -1.818689      5.396071      1.488026
  H      -6.508312      1.727418      7.551619
  H      -6.718966      2.278347      5.889904
  H      -6.400008      4.149637      8.300383
  H      -6.763140      4.654924      6.651856
  H      -8.552364      2.847918      8.390556
  H      -8.748047      4.582741      8.271777
  H      -9.358068      3.752232      3.269186
  H     -13.538337      2.724772      4.845099
  H     -14.518030      2.372056      7.119231
  H     -13.080928      2.563748      9.141875
  H     -10.683084      3.095064      8.932463
  N      -5.190849      4.182590      4.104968
  N      -6.538430      3.969713      3.697999
  H      -7.250288      3.912014      4.487922
  H      -6.585052      3.034280      3.110847
  H      -6.829333      4.731091      3.063448
100
Coordinates from ORCA-job orca E -6259.561045222528
  N      -2.725382      2.619565      4.150865
  Mo     -3.912700      3.730554      5.316144
  N      -4.822590      2.667682      6.712088
  C      -4.078676      2.250153      7.900733
  C      -2.608395      2.082321      7.548717
  N      -2.159156      3.241984      6.743500
  C      -1.010791      2.929629      5.864733
  C      -1.480770      2.084579      4.693083
  C      -1.915989      4.447640      7.569939
  C      -2.145920      5.687982      6.722064
  N      -3.386951      5.526979      5.967362
  H      -0.694876      2.083788      3.914256
  H      -1.595529      1.028232      5.008631
  H      -0.620897      3.886440      5.490741
  H      -0.203595      2.427600      6.427994
  H      -2.213854      6.568513      7.386054
  H      -1.283078      5.872295      6.053232
  H      -2.643910      4.438932      8.392556
  H      -0.902180      4.424203      8.007767
  H      -4.463777      1.286503      8.281095
  H      -4.201051      2.979941      8.726442
  H      -2.490560      1.185022      6.926114
  H      -1.983193      1.960697      8.450609
  C      -3.091177      2.000404      2.879514
  C      -3.593844      0.549972      2.989508
  C      -5.070462      0.424308      3.433519
  C      -6.017376      0.590530      2.282124
  N      -6.646335      1.755699      2.136392
  C      -7.452126      1.938583      1.051286
  N      -7.693214      1.073963      0.096046
  C      -7.083007     -0.145959      0.216927
  C      -7.314983     -1.127329     -0.775260
  C      -6.714225     -2.365321     -0.674175
  C      -5.866604     -2.668809      0.416994
  C      -5.621646     -1.729293      1.397416
  C      -6.220446     -0.446394      1.320002
  C      -4.044867      6.792355      5.638762
  C      -3.252064      7.679226      4.663687
  C      -2.909842      6.990749      3.343601
  C      -4.085176      6.662905      2.461507
  N      -5.240535      7.271505      2.699093
  C      -6.315037      6.886786      1.962894
  N      -6.370386      5.929312      1.054418
  C      -5.173331      5.338694      0.735279
  C      -5.139913      4.345490     -0.272261
  C      -3.938367      3.765903     -0.630164
  C      -2.735849      4.154063      0.002420
  C      -2.746651      5.104326      1.005269
  C      -3.963661      5.709448      1.399254
  C      -6.272161      2.555913      6.858169
  C      -6.922979      3.844409      7.381357
  C      -8.407047      3.698028      7.705229
  C      -9.347650      3.532347      6.540330
  N      -8.892084      3.715447      5.303805
  C      -9.775896      3.588313      4.271549
  N     -11.053176      3.300407      4.342268
  C     -11.556386      3.105388      5.600456
  C     -12.928842      2.795967      5.749353
  C     -13.459000      2.605320      7.008810
  C     -12.642118      2.715158      8.158216
  C     -11.299232      3.012024      8.039906
  C     -10.724863      3.212654      6.759613
  H      -2.202176      2.005027      2.220477
  H      -3.851784      2.627103      2.393750
  H      -2.962622     -0.004597      3.699695
  H      -3.461648      0.056151      2.014397
  H      -5.232194     -0.560918      3.894564
  H      -5.287719      1.178465      4.204506
  H      -7.932375      2.920021      0.981341
  H      -7.976606     -0.873337     -1.604086
  H      -6.895276     -3.121926     -1.439145
  H      -5.405684     -3.655277      0.481818
  H      -4.967190     -1.976148      2.233426
  H      -5.025997      6.568749      5.206620
  H      -4.213874      7.364746      6.571261
  H      -2.313628      8.008480      5.135960
  H      -3.848867      8.583088      4.473648
  H      -2.214334      7.623617      2.764101
  H      -2.360656      6.056085      3.544502
  H      -7.249295      7.416209      2.178809
  H      -6.074802      4.074596     -0.764650
  H      -3.913218      3.009643     -1.416562
  H      -1.794429      3.694745     -0.302742
  H      -1.815147      5.392016      1.493061
  H      -6.507272      1.727414      7.553037
  H      -6.718864      2.277707      5.891116
  H      -6.400398      4.149918      8.300808
  H      -6.763954      4.654442      6.652140
  H      -8.551823      2.846805      8.391592
  H      -8.748612      4.581492      8.272732
  H      -9.359877      3.746482      3.270310
  H     -13.539097      2.719014      4.848801
  H     -14.517900      2.368764      7.123685
  H     -13.080241      2.563567      9.145620
  H     -10.682676      3.095561      8.934810
  N      -5.191898      4.184043      4.105198
  N      -6.539823      3.971774      3.698837
  H      -7.250913      3.912334      4.489301
  H      -6.586374      3.037033      3.110695
  H      -6.831417      4.734088      3.065795
100
Coordinates from ORCA-job orca E -6259.561045953727
  N      -2.725497      2.619377      4.150096
  Mo     -3.912981      3.730036      5.315393
  N      -4.822271      2.666883      6.711519
  C      -4.077929      2.250175      7.900167
  C      -2.607631      2.082680      7.547803
  N      -2.158899      3.242408      6.742411
  C      -1.010625      2.930678      5.863349
  C      -1.480350      2.085280      4.691919
  C      -1.916029      4.448140      7.568862
  C      -2.147267      5.688502      6.721400
  N      -3.388259      5.526693      5.966834
  H      -0.694755      2.084955      3.912790
  H      -1.594282      1.028859      5.007530
  H      -0.621615      3.887770      5.489111
  H      -0.202852      2.429371      6.426415
  H      -2.215841      6.568715      7.385739
  H      -1.284680      5.873814      6.052484
  H      -2.643349      4.438750      8.391999
  H      -0.901886      4.425307      8.005939
  H      -4.462546      1.286514      8.281037
  H      -4.200375      2.980182      8.725671
  H      -2.489644      1.185300      6.925345
  H      -1.982284      1.961336      8.449642
  C      -3.091964      1.998798      2.879623
  C      -3.595253      0.548706      2.991750
  C      -5.072386      0.424053      3.434354
  C      -6.018220      0.591004      2.282192
  N      -6.646492      1.756535      2.136256
  C      -7.451209      1.940196      1.050489
  N      -7.691919      1.075944      0.094809
  C      -7.082485     -0.144320      0.215881
  C      -7.314134     -1.125324     -0.776750
  C      -6.714158     -2.363674     -0.675425
  C      -5.867664     -2.667916      0.416412
  C      -5.622985     -1.728764      1.397250
  C      -6.221021     -0.445517      1.319620
  C      -4.046873      6.791803      5.638459
  C      -3.254273      7.679602      4.664018
  C      -2.910720      6.991520      3.344097
  C      -4.085399      6.662834      2.461419
  N      -5.241110      7.271196      2.697907
  C      -6.314950      6.885839      1.961042
  N      -6.369364      5.928017      1.052903
  C      -5.171949      5.337414      0.735117
  C      -5.137509      4.343686     -0.271883
  C      -3.935559      3.764113     -0.628474
  C      -2.733644      4.152789      0.004943
  C      -2.745463      5.103625      1.007242
  C      -3.962877      5.708807      1.399812
  C      -6.271760      2.555133      6.858052
  C      -6.922385      3.843562      7.381645
  C      -8.406410      3.697291      7.705688
  C      -9.347225      3.531829      6.540939
  N      -8.891860      3.715022      5.304369
  C      -9.775840      3.588203      4.272220
  N     -11.053173      3.300579      4.343121
  C     -11.556218      3.105520      5.601370
  C     -12.928752      2.796511      5.750430
  C     -13.458789      2.605917      7.009949
  C     -12.641707      2.715400      8.159238
  C     -11.298737      3.011847      8.040762
  C     -10.724486      3.212392      6.760405
  H      -2.203107      2.002078      2.220374
  H      -3.852202      2.625302      2.393047
  H      -2.965115     -0.004611      3.703869
  H      -3.461905      0.052932      2.017793
  H      -5.234999     -0.561083      3.895265
  H      -5.289788      1.178371      4.205131
  H      -7.930900      2.921894      0.980434
  H      -7.974901     -0.870792     -1.606093
  H      -6.894960     -3.119999     -1.440734
  H      -5.407409     -3.654683      0.481419
  H      -4.969465     -1.976196      2.233815
  H      -5.027682      6.567758      5.205838
  H      -4.216553      7.363660      6.571157
  H      -2.316500      8.009781      5.136940
  H      -3.851848      8.582883      4.473657
  H      -2.215252      7.624753      2.764966
  H      -2.361099      6.057157      3.545278
  H      -7.249474      7.415245      2.175878
  H      -6.071940      4.072437     -0.764955
  H      -3.909575      3.007403     -1.414410
  H      -1.791908      3.693385     -0.299113
  H      -1.814391      5.391779      1.495583
  H      -6.506628      1.726487      7.552852
  H      -6.718790      2.277130      5.891078
  H      -6.399708      4.148825      8.301127
  H      -6.763294      4.653714      6.652591
  H      -8.551297      2.846102      8.392050
  H      -8.747727      4.580871      8.273179
  H      -9.359916      3.746488      3.270963
  H     -13.539150      2.719862      4.849948
  H     -14.517748      2.369699      7.124975
  H     -13.079741      2.563903      9.146697
  H     -10.682046      3.095161      8.935591
  N      -5.192023      4.183605      4.104374
  N      -6.540124      3.972200      3.698172
  H      -7.251116      3.913381      4.488705
  H      -6.586874      3.037296      3.109887
  H      -6.831115      4.734634      3.065024
