95
Coordinates from ORCA-job orca E -6148.242120647531
  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
95
Coordinates from ORCA-job orca E -6148.257751230252
  N      -2.920454      1.403749      5.189888
  Mo     -3.612598      3.326135      5.165709
  N      -4.493224      3.044308      6.889702
  C      -3.629674      3.114004      8.063752
  C      -2.247236      2.548769      7.717306
  N      -1.755552      3.170306      6.462396
  C      -0.773873      2.310301      5.763080
  C      -1.510344      1.180879      4.992717
  C      -1.190683      4.514227      6.717068
  C      -1.689613      5.445974      5.604357
  N      -3.117519      5.206538      5.457433
  H      -1.236013      1.213654      3.918835
  H      -1.209700      0.188482      5.374167
  H      -0.235757      2.938243      5.041959
  H      -0.042974      1.903611      6.482322
  H      -1.464307      6.491029      5.866165
  H      -1.161226      5.214840      4.662527
  H      -1.572579      4.886276      7.676177
  H      -0.091264      4.484492      6.765430
  H      -4.042235      2.524471      8.900228
  H      -3.536604      4.161145      8.417907
  H      -2.356993      1.474017      7.538848
  H      -1.530972      2.708643      8.540976
  C      -3.901665      1.093464      4.229004
  C      -4.864074     -0.064189      4.542862
  C      -6.276970      0.184036      3.968986
  C      -6.234827      0.609893      2.524875
  N      -6.174918      1.934320      2.305687
  C      -6.095539      2.347406      1.025211
  N      -6.092006      1.604282     -0.061459
  C      -6.160905      0.249114      0.125817
  C      -6.158421     -0.603199     -0.996422
  C      -6.209053     -1.976850     -0.828052
  C      -6.260837     -2.534025      0.461752
  C      -6.267764     -1.723016      1.580964
  C      -6.224529     -0.313029      1.444596
  C      -3.966933      6.314682      5.851883
  C      -3.887500      7.535517      4.915637
  C      -4.181206      7.183101      3.454586
  C      -5.603883      6.760886      3.177572
  N      -6.511742      6.895051      4.151563
  C      -7.753166      6.443103      3.910427
  N      -8.208687      5.868214      2.814400
  C      -7.333508      5.796920      1.766290
  C      -7.776849      5.277711      0.532313
  C      -6.914337      5.223110     -0.549099
  C      -5.587540      5.670052     -0.424150
  C      -5.122344      6.172212      0.778012
  C      -5.981587      6.252358      1.898717
  C      -5.878835      2.741375      7.171371
  C      -6.746111      3.962187      7.545079
  C      -8.243157      3.636072      7.574108
  C      -8.879048      3.355513      6.231510
  N      -8.131354      3.431227      5.141539
  C      -8.702814      3.148520      3.945429
  N      -9.940745      2.761290      3.736042
  C     -10.753671      2.701853      4.830869
  C     -12.108249      2.330591      4.666819
  C     -12.947710      2.275366      5.758719
  C     -12.467912      2.583788      7.048506
  C     -11.150535      2.942178      7.239347
  C     -10.262174      3.009116      6.138960
  H      -3.514939      0.996152      3.192826
  H      -4.584898      2.026788      4.289967
  H      -4.930316     -0.180395      5.633491
  H      -4.450203     -0.990298      4.119785
  H      -6.886624     -0.721363      4.086681
  H      -6.759039      0.993379      4.534403
  H      -6.033968      3.429521      0.881233
  H      -6.113997     -0.146426     -1.983712
  H      -6.208135     -2.631516     -1.698778
  H      -6.297391     -3.616665      0.579541
  H      -6.308903     -2.167319      2.574464
  H      -5.006270      5.968144      5.854469
  H      -3.714200      6.649911      6.878041
  H      -2.885511      7.984461      4.969100
  H      -4.615219      8.278627      5.265716
  H      -3.947751      8.051353      2.816308
  H      -3.507886      6.369568      3.142107
  H      -8.467211      6.555028      4.732678
  H      -8.807392      4.933398      0.461097
  H      -7.263191      4.824888     -1.500823
  H      -4.919034      5.617046     -1.282711
  H      -4.092281      6.515536      0.862089
  H      -5.946506      2.004157      7.996196
  H      -6.322478      2.286610      6.276810
  H      -6.448768      4.329709      8.537708
  H      -6.557815      4.761575      6.817294
  H      -8.415589      2.762528      8.223693
  H      -8.785518      4.479588      8.028978
  H      -8.046961      3.228240      3.078928
  H     -12.453985      2.102965      3.659710
  H     -13.992115      1.994135      5.627859
  H     -13.147233      2.537288      7.898922
  H     -10.787582      3.180614      8.237943
95
Coordinates from ORCA-job orca E -6148.260740715046
  N      -2.877508      1.330907      5.216815
  Mo     -3.584910      3.244812      5.200865
  N      -4.446511      3.001782      6.925744
  C      -3.559801      3.090263      8.096904
  C      -2.182261      2.513828      7.751134
  N      -1.697435      3.119904      6.471207
  C      -0.719644      2.254703      5.755355
  C      -1.461481      1.118927      4.997517
  C      -1.131067      4.478983      6.691292
  C      -1.643055      5.384350      5.564174
  N      -3.079641      5.137135      5.445531
  H      -1.197043      1.146708      3.920097
  H      -1.146560      0.127986      5.379596
  H      -0.195902      2.888983      5.024434
  H       0.030099      1.859404      6.467440
  H      -1.418565      6.439103      5.804466
  H      -1.118741      5.143817      4.618985
  H      -1.502804      4.864925      7.652220
  H      -0.026978      4.448233      6.730874
  H      -3.969523      2.517935      8.949799
  H      -3.454362      4.144296      8.436021
  H      -2.290031      1.433940      7.589425
  H      -1.454193      2.687122      8.567106
  C      -3.887352      0.996558      4.274798
  C      -4.838680     -0.167488      4.620651
  C      -6.266662      0.037433      4.067386
  C      -6.235424      0.427292      2.614514
  N      -6.190352      1.743593      2.358656
  C      -6.091762      2.117960      1.056813
  N      -6.067055      1.335131     -0.017063
  C      -6.129087     -0.016645      0.218944
  C      -6.105633     -0.916621     -0.874631
  C      -6.144098     -2.289057     -0.656029
  C      -6.204200     -2.801903      0.659603
  C      -6.231367     -1.943869      1.750599
  C      -6.202270     -0.534028      1.559764
  C      -3.945889      6.235566      5.861279
  C      -3.929079      7.476613      4.949900
  C      -4.293465      7.220891      3.481919
  C      -5.733487      6.826197      3.227752
  N      -6.598101      6.860980      4.246782
  C      -7.872448      6.456069      4.006446
  N      -8.389771      6.030032      2.861020
  C      -7.553519      6.079226      1.775382
  C      -8.063006      5.749019      0.493833
  C      -7.246276      5.829837     -0.625300
  C      -5.894001      6.223303     -0.496972
  C      -5.365440      6.539370      0.747332
  C      -6.179409      6.480509      1.910078
  C      -5.847606      2.718277      7.188477
  C      -6.703811      3.948927      7.546726
  C      -8.204152      3.644430      7.532050
  C      -8.790831      3.406461      6.156440
  N      -7.994852      3.518752      5.102967
  C      -8.522788      3.290659      3.864206
  N      -9.765441      2.920858      3.584858
  C     -10.619541      2.822485      4.651680
  C     -11.975768      2.468055      4.423274
  C     -12.860564      2.377115      5.483660
  C     -12.427047      2.632844      6.808396
  C     -11.108774      2.974251      7.060860
  C     -10.177224      3.074822      5.993558
  H      -3.523973      0.899535      3.232991
  H      -4.605471      1.925465      4.330022
  H      -4.879940     -0.267063      5.717980
  H      -4.411095     -1.095546      4.203523
  H      -6.857142     -0.881553      4.216621
  H      -6.760239      0.851753      4.620324
  H      -6.031608      3.196373      0.881717
  H      -6.054081     -0.494784     -1.884366
  H      -6.126646     -2.979628     -1.507080
  H      -6.231295     -3.886160      0.818820
  H      -6.279478     -2.353117      2.765655
  H      -4.981886      5.871053      5.906288
  H      -3.661248      6.559939      6.885217
  H      -2.926628      7.940065      4.982546
  H      -4.648388      8.198626      5.370460
  H      -4.088571      8.143015      2.902616
  H      -3.634223      6.439613      3.066244
  H      -8.550698      6.475290      4.871888
  H      -9.111199      5.441086      0.420632
  H      -7.646852      5.576055     -1.612746
  H      -5.258575      6.276815     -1.388142
  H      -4.318487      6.848762      0.833067
  H      -5.936067      1.978033      8.013322
  H      -6.279041      2.265303      6.282759
  H      -6.422692      4.309143      8.552887
  H      -6.486282      4.752988      6.826441
  H      -8.413596      2.759541      8.164763
  H      -8.757439      4.486202      7.988748
  H      -7.818563      3.411434      3.026625
  H     -12.287873      2.281695      3.389994
  H     -13.907443      2.108450      5.301057
  H     -13.142080      2.559222      7.635761
  H     -10.780468      3.171968      8.086989
95
Coordinates from ORCA-job orca E -6148.267581968806
  N      -2.917513      1.352501      5.203999
  Mo     -3.594033      3.270558      5.216317
  N      -4.481734      3.045279      6.924699
  C      -3.609590      3.128449      8.105696
  C      -2.240659      2.523165      7.783137
  N      -1.723170      3.113734      6.510076
  C      -0.755632      2.232865      5.798207
  C      -1.502202      1.122692      5.007261
  C      -1.135184      4.464337      6.729316
  C      -1.601296      5.364686      5.579302
  N      -3.039109      5.154658      5.435956
  H      -1.212680      1.160792      3.937600
  H      -1.212390      0.121540      5.379371
  H      -0.208880      2.869959      5.088866
  H      -0.023920      1.816859      6.515022
  H      -1.357619      6.417185      5.807124
  H      -1.062307      5.101319      4.650514
  H      -1.517782      4.864783      7.678666
  H      -0.034585      4.405965      6.795346
  H      -4.042299      2.567787      8.954555
  H      -3.492255      4.179799      8.442421
  H      -2.362103      1.445376      7.620784
  H      -1.521764      2.685912      8.607145
  C      -3.927394      1.040399      4.250478
  C      -4.895071     -0.114159      4.572382
  C      -6.308523      0.111333      3.995783
  C      -6.244946      0.521709      2.549020
  N      -6.198238      1.839996      2.310843
  C      -6.058310      2.230017      1.018659
  N      -5.996049      1.463739     -0.063156
  C      -6.062465      0.110521      0.155288
  C      -6.004283     -0.774517     -0.947442
  C      -6.046462     -2.148301     -0.748953
  C      -6.146138     -2.678990      0.555795
  C      -6.208195     -1.835914      1.655346
  C      -6.176136     -0.425133      1.483707
  C      -3.883989      6.277785      5.823959
  C      -3.832676      7.479338      4.868515
  C      -4.205226      7.157034      3.420428
  C      -5.654509      6.791973      3.197795
  N      -6.509027      6.931437      4.212645
  C      -7.801746      6.577104      3.996961
  N      -8.343184      6.106791      2.883017
  C      -7.507267      6.037782      1.799622
  C      -8.033466      5.641713      0.545006
  C      -7.216367      5.600571     -0.573662
  C      -5.847075      5.935435     -0.471860
  C      -5.303544      6.313176      0.746507
  C      -6.117451      6.375761      1.907494
  C      -5.885966      2.768991      7.177573
  C      -6.745974      3.997429      7.522596
  C      -8.241098      3.673936      7.539392
  C      -8.857354      3.398592      6.185497
  N      -8.096017      3.513902      5.109261
  C      -8.657865      3.253791      3.892835
  N      -9.894741      2.847933      3.654511
  C     -10.710203      2.741439      4.747918
  C     -12.060673      2.345083      4.566600
  C     -12.909596      2.246679      5.653074
  C     -12.445371      2.536103      6.959221
  C     -11.131811      2.918772      7.165303
  C     -10.237443      3.027756      6.069571
  H      -3.562072      0.958498      3.208926
  H      -4.646600      1.971785      4.303109
  H      -4.951517     -0.226223      5.666829
  H      -4.467998     -1.040457      4.153511
  H      -6.906885     -0.803305      4.124162
  H      -6.806088      0.921505      4.549756
  H      -5.996125      3.309950      0.859714
  H      -5.923216     -0.340638     -1.947347
  H      -6.001747     -2.825464     -1.606205
  H      -6.176686     -3.762605      0.698984
  H      -6.287437     -2.257812      2.660225
  H      -4.926145      5.934950      5.876321
  H      -3.598544      6.624584      6.839185
  H      -2.820003      7.917362      4.880349
  H      -4.529107      8.239189      5.257494
  H      -3.974390      8.034657      2.787331
  H      -3.571401      6.335168      3.047490
  H      -8.471781      6.682203      4.858146
  H      -9.093124      5.380728      0.492956
  H      -7.628727      5.295346     -1.538642
  H      -5.212377      5.892241     -1.360843
  H      -4.244504      6.572954      0.812916
  H      -5.973440      2.034807      8.007228
  H      -6.309629      2.304916      6.275163
  H      -6.457539      4.380117      8.516523
  H      -6.545087      4.788765      6.785458
  H      -8.427032      2.801231      8.193116
  H      -8.798604      4.511864      7.994628
  H      -7.985812      3.382045      3.038089
  H     -12.397653      2.133186      3.548851
  H     -13.950583      1.945974      5.506438
  H     -13.131033      2.455697      7.806874
  H     -10.779968      3.141101      8.175590
95
Coordinates from ORCA-job orca E -6148.270193162367
  N      -2.931958      1.384462      5.170301
  Mo     -3.594004      3.291245      5.229235
  N      -4.511394      3.074353      6.913920
  C      -3.657893      3.146038      8.107219
  C      -2.293910      2.523950      7.805104
  N      -1.745149      3.114218      6.548068
  C      -0.779989      2.233313      5.834967
  C      -1.516676      1.150357      5.000500
  C      -1.148466      4.459862      6.775467
  C      -1.574097      5.357563      5.607574
  N      -3.006665      5.168925      5.437099
  H      -1.197678      1.211161      3.941172
  H      -1.243762      0.138661      5.353815
  H      -0.214732      2.883605      5.154805
  H      -0.064738      1.796831      6.553792
  H      -1.323399      6.408675      5.830303
  H      -1.016273      5.084015      4.694765
  H      -1.547543      4.864720      7.714506
  H      -0.052293      4.382529      6.871231
  H      -4.113005      2.589708      8.946945
  H      -3.533836      4.192144      8.450063
  H      -2.419235      1.448726      7.630986
  H      -1.587667      2.674004      8.640466
  C      -3.929487      1.093119      4.194537
  C      -4.898642     -0.068767      4.469808
  C      -6.294629      0.167070      3.859505
  C      -6.197388      0.615029      2.424223
  N      -6.167135      1.938536      2.218344
  C      -5.995988      2.363619      0.943699
  N      -5.885227      1.629422     -0.151353
  C      -5.935061      0.271337      0.032420
  C      -5.829672     -0.582038     -1.088836
  C      -5.856367     -1.958539     -0.928782
  C      -5.988411     -2.525591      0.355330
  C      -6.097033     -1.714521      1.472272
  C      -6.080563     -0.301876      1.338713
  C      -3.847911      6.296426      5.813251
  C      -3.800204      7.454884      4.812217
  C      -4.200067      7.028881      3.403585
  C      -5.653175      6.653141      3.247217
  N      -6.483259      6.893876      4.260739
  C      -7.784109      6.549271      4.097244
  N      -8.354529      6.002259      3.039409
  C      -7.536419      5.805532      1.958970
  C      -8.087270      5.291219      0.761099
  C      -7.288680      5.114590     -0.354344
  C      -5.914061      5.431906     -0.307344
  C      -5.348121      5.924003      0.855527
  C      -6.142792      6.120404      2.012079
  C      -5.920798      2.820264      7.155359
  C      -6.754121      4.068287      7.477779
  C      -8.253635      3.776161      7.519201
  C      -8.899079      3.464181      6.189374
  N      -8.155457      3.512542      5.096814
  C      -8.749615      3.212112      3.907585
  N      -9.996563      2.832568      3.708718
  C     -10.791537      2.793940      4.819933
  C     -12.152369      2.423546      4.681019
  C     -12.980522      2.391130      5.784275
  C     -12.485145      2.722271      7.066441
  C     -11.160924      3.080291      7.230714
  C     -10.288132      3.121556      6.116175
  H      -3.552402      1.044430      3.155488
  H      -4.669522      2.012996      4.242824
  H      -4.978558     -0.208086      5.558336
  H      -4.455598     -0.982701      4.043081
  H      -6.888952     -0.751892      3.953651
  H      -6.810999      0.960933      4.418560
  H      -5.950889      3.448454      0.813700
  H      -5.725703     -0.122152     -2.071838
  H      -5.775211     -2.609590     -1.799759
  H      -6.007492     -3.610109      0.467830
  H      -6.201828     -2.163617      2.459732
  H      -4.888342      5.952999      5.882735
  H      -3.559927      6.666243      6.818280
  H      -2.788057      7.888819      4.783424
  H      -4.482687      8.240644      5.169358
  H      -3.979139      7.845303      2.693120
  H      -3.576377      6.177742      3.085399
  H      -8.433025      6.742813      4.956019
  H      -9.149609      5.047120      0.751380
  H      -7.718543      4.716672     -1.273791
  H      -5.295131      5.281437     -1.192147
  H      -4.285637      6.164435      0.882739
  H      -6.020265      2.095221      7.990771
  H      -6.343855      2.351662      6.256077
  H      -6.453779      4.473212      8.457007
  H      -6.540426      4.834723      6.719135
  H      -8.453019      2.933641      8.204627
  H      -8.787813      4.636504      7.956761
  H      -8.090495      3.265478      3.042356
  H     -12.513991      2.177655      3.682464
  H     -14.028196      2.110598      5.669916
  H     -13.153728      2.693946      7.927136
  H     -10.785756      3.334875      8.221646
95
Coordinates from ORCA-job orca E -6148.274620677578
  N      -2.953477      1.393390      5.151667
  Mo     -3.629874      3.281974      5.254936
  N      -4.534422      3.060867      6.940735
  C      -3.674514      3.133957      8.129626
  C      -2.312402      2.516438      7.817888
  N      -1.772118      3.114314      6.561635
  C      -0.807660      2.245344      5.831746
  C      -1.537222      1.173264      4.977611
  C      -1.185570      4.464058      6.790848
  C      -1.607822      5.354864      5.617872
  N      -3.037310      5.163981      5.433724
  H      -1.215731      1.253707      3.920421
  H      -1.257562      0.157328      5.313627
  H      -0.246072      2.911377      5.163999
  H      -0.087845      1.801061      6.541148
  H      -1.362562      6.408554      5.835786
  H      -1.040028      5.081276      4.711364
  H      -1.593072      4.865559      7.727573
  H      -0.089850      4.390006      6.896193
  H      -4.123768      2.574676      8.970855
  H      -3.552068      4.179001      8.475210
  H      -2.430860      1.441235      7.637886
  H      -1.601903      2.666065      8.649943
  C      -3.960255      1.098577      4.184341
  C      -4.899404     -0.088265      4.466953
  C      -6.317618      0.096256      3.890446
  C      -6.284545      0.541652      2.452192
  N      -6.346054      1.862483      2.239885
  C      -6.240234      2.288771      0.959042
  N      -6.111217      1.557076     -0.135081
  C      -6.069053      0.199612      0.056545
  C      -5.943353     -0.652831     -1.063181
  C      -5.881661     -2.026920     -0.896551
  C      -5.944070     -2.593316      0.393076
  C      -6.070673     -1.783401      1.508516
  C      -6.142404     -0.373505      1.367953
  C      -3.890638      6.283826      5.806209
  C      -3.823593      7.469283      4.837020
  C      -4.150253      7.104761      3.392749
  C      -5.580197      6.706626      3.122401
  N      -6.481659      6.839022      4.093503
  C      -7.756886      6.472396      3.812083
  N      -8.237569      6.004288      2.675387
  C      -7.343536      5.921721      1.641314
  C      -7.795709      5.497306      0.368986
  C      -6.922338      5.451661     -0.701746
  C      -5.567666      5.812970     -0.536242
  C      -5.096062      6.207912      0.702655
  C      -5.969759      6.268662      1.816135
  C      -5.940700      2.795048      7.193025
  C      -6.776558      4.036477      7.527883
  C      -8.271516      3.731953      7.613906
  C      -8.954876      3.409088      6.306086
  N      -8.247826      3.471152      5.190179
  C      -8.877575      3.167567      4.020173
  N     -10.124256      2.771995      3.860094
  C     -10.880587      2.714660      4.997700
  C     -12.239062      2.322723      4.902642
  C     -13.029261      2.272429      6.032375
  C     -12.497239      2.606628      7.298690
  C     -11.174303      2.985546      7.420021
  C     -10.340330      3.044793      6.277499
  H      -3.599221      1.073072      3.138941
  H      -4.723265      2.000613      4.241523
  H      -4.951655     -0.233943      5.556271
  H      -4.436413     -0.988398      4.031572
  H      -6.870985     -0.845666      4.004295
  H      -6.850827      0.869280      4.462892
  H      -6.270881      3.373076      0.823214
  H      -5.895937     -0.194002     -2.050994
  H      -5.785566     -2.677106     -1.766615
  H      -5.895000     -3.676264      0.510667
  H      -6.121718     -2.232081      2.500323
  H      -4.928737      5.929470      5.849311
  H      -3.629946      6.636602      6.824732
  H      -2.817650      7.917564      4.865161
  H      -4.526618      8.235567      5.196759
  H      -3.908953      7.961408      2.738542
  H      -3.490266      6.287065      3.060306
  H      -8.466031      6.570883      4.639133
  H      -8.845338      5.221383      0.266784
  H      -7.276488      5.126078     -1.680071
  H      -4.888846      5.766145     -1.387919
  H      -4.047260      6.477388      0.823581
  H      -6.024415      2.066496      8.027194
  H      -6.367048      2.323670      6.296764
  H      -6.453912      4.452113      8.495345
  H      -6.589131      4.799255      6.758641
  H      -8.445321      2.892337      8.309769
  H      -8.801275      4.587619      8.066108
  H      -8.247743      3.236693      3.134219
  H     -12.630299      2.074794      3.915867
  H     -14.075450      1.975246      5.951538
  H     -13.136112      2.564127      8.180989
  H     -10.770892      3.242059      8.399239
95
Coordinates from ORCA-job orca E -6148.277925163619
  N      -2.959384      1.379209      5.148065
  Mo     -3.615350      3.262524      5.274575
  N      -4.532458      3.064599      6.954266
  C      -3.679814      3.132586      8.151586
  C      -2.323518      2.497117      7.850319
  N      -1.767891      3.081005      6.592398
  C      -0.810457      2.195752      5.869258
  C      -1.542941      1.139468      4.996962
  C      -1.167197      4.427183      6.810711
  C      -1.556071      5.306051      5.615419
  N      -2.986415      5.138762      5.408979
  H      -1.201597      1.221754      3.945903
  H      -1.282891      0.116828      5.330579
  H      -0.227408      2.856086      5.213623
  H      -0.106350      1.735180      6.585255
  H      -1.295309      6.359306      5.820383
  H      -0.976734      5.009482      4.722713
  H      -1.586435      4.848384      7.734139
  H      -0.074311      4.338312      6.939515
  H      -4.140946      2.583089      8.993275
  H      -3.546474      4.178114      8.493981
  H      -2.452953      1.422178      7.674166
  H      -1.615476      2.641094      8.686786
  C      -3.964419      1.093405      4.173875
  C      -4.900193     -0.098759      4.452125
  C      -6.310541      0.076246      3.859416
  C      -6.254496      0.505352      2.418160
  N      -6.323536      1.822673      2.188961
  C      -6.183912      2.234416      0.905255
  N      -6.015501      1.489958     -0.176395
  C      -5.967373      0.134900      0.032560
  C      -5.801437     -0.730788     -1.072900
  C      -5.732286     -2.102764     -0.886871
  C      -5.827340     -2.653773      0.408396
  C      -5.993237     -1.830381      1.509850
  C      -6.072937     -0.422378      1.349099
  C      -3.823565      6.274924      5.775538
  C      -3.768770      7.447337      4.788823
  C      -4.163193      7.081557      3.362015
  C      -5.615407      6.725217      3.161315
  N      -6.462526      6.890871      4.175418
  C      -7.764957      6.574747      3.958000
  N      -8.319825      6.130638      2.845078
  C      -7.480738      6.010321      1.768611
  C      -8.013215      5.607158      0.519616
  C      -7.194706      5.519750     -0.591858
  C      -5.817301      5.817151     -0.491968
  C      -5.268875      6.193768      0.721749
  C      -6.084927      6.297415      1.876196
  C      -5.946563      2.816324      7.191145
  C      -6.772371      4.070304      7.503232
  C      -8.270332      3.781324      7.581875
  C      -8.941471      3.453678      6.268532
  N      -8.221897      3.515803      5.159677
  C      -8.837902      3.211565      3.980806
  N     -10.085912      2.822059      3.806894
  C     -10.854784      2.761985      4.937479
  C     -12.213025      2.370935      4.827015
  C     -13.015062      2.317163      5.949069
  C     -12.495658      2.647826      7.222650
  C     -11.173448      3.026357      7.358937
  C     -10.327224      3.088588      6.224676
  H      -3.600570      1.075887      3.129060
  H      -4.729561      1.992036      4.222772
  H      -4.962547     -0.239004      5.542225
  H      -4.428528     -1.000491      4.027581
  H      -6.864256     -0.866507      3.975415
  H      -6.852096      0.854173      4.417536
  H      -6.221595      3.316192      0.754721
  H      -5.729428     -0.283644     -2.065818
  H      -5.604998     -2.763666     -1.746294
  H      -5.772670     -3.735867      0.541286
  H      -6.069963     -2.267579      2.506455
  H      -4.864077      5.931203      5.847096
  H      -3.538525      6.640614      6.783745
  H      -2.752472      7.874607      4.774869
  H      -4.440774      8.233395      5.167464
  H      -3.926764      7.926761      2.690003
  H      -3.541053      6.242760      3.007692
  H      -8.427477      6.699255      4.820586
  H      -9.078750      5.377763      0.469116
  H      -7.609662      5.207717     -1.551752
  H      -5.182569      5.737209     -1.376003
  H      -4.203128      6.414515      0.790991
  H      -6.052118      2.092704      8.027483
  H      -6.362990      2.344207      6.289913
  H      -6.449437      4.498469      8.466037
  H      -6.574096      4.819727      6.723087
  H      -8.458106      2.949827      8.285267
  H      -8.797942      4.645400      8.022396
  H      -8.197571      3.288400      3.098846
  H     -12.594773      2.125517      3.834705
  H     -14.061470      2.019963      5.856531
  H     -13.144248      2.602956      8.099148
  H     -10.779958      3.280086      8.344163
95
Coordinates from ORCA-job orca E -6148.281846251318
  N      -2.964758      1.355477      5.145937
  Mo     -3.599639      3.230564      5.293550
  N      -4.519521      3.062812      6.975860
  C      -3.668475      3.128092      8.181856
  C      -2.317039      2.475912      7.884197
  N      -1.753574      3.043212      6.617072
  C      -0.806746      2.137438      5.898567
  C      -1.547354      1.092818      5.015794
  C      -1.137222      4.388034      6.813641
  C      -1.500526      5.250508      5.594802
  N      -2.933621      5.101138      5.374239
  H      -1.190617      1.171727      3.969031
  H      -1.305842      0.064749      5.350590
  H      -0.205233      2.787427      5.247865
  H      -0.114524      1.662516      6.619110
  H      -1.223813      6.303983      5.782521
  H      -0.914889      4.928291      4.713442
  H      -1.562279      4.833818      7.724071
  H      -0.046240      4.286491      6.959443
  H      -4.136163      2.590718      9.028324
  H      -3.522601      4.175811      8.517654
  H      -2.458178      1.400604      7.715712
  H      -1.606853      2.616593      8.721856
  C      -3.967099      1.070780      4.165914
  C      -4.896657     -0.129099      4.443908
  C      -6.294859      0.044306      3.834097
  C      -6.196661      0.459107      2.393633
  N      -6.250089      1.774286      2.150732
  C      -6.054649      2.171700      0.867367
  N      -5.846873      1.412850     -0.200398
  C      -5.817125      0.058975      0.022104
  C      -5.612104     -0.820554     -1.068088
  C      -5.559083     -2.192314     -0.863944
  C      -5.709626     -2.728374      0.434127
  C      -5.914156     -1.890480      1.520373
  C      -5.978395     -0.482469      1.341071
  C      -3.754751      6.256240      5.733177
  C      -3.732723      7.414776      4.726646
  C      -4.213822      7.044577      3.327251
  C      -5.686296      6.726599      3.237839
  N      -6.441386      6.931443      4.316481
  C      -7.770994      6.667281      4.212261
  N      -8.434959      6.243451      3.150741
  C      -7.692982      6.078589      2.009240
  C      -8.347436      5.693701      0.811722
  C      -7.627712      5.555649     -0.363196
  C      -6.232063      5.782808     -0.379264
  C      -5.565673      6.146319      0.780647
  C      -6.277478      6.302580      1.998691
  C      -5.943871      2.836938      7.195508
  C      -6.752923      4.109528      7.481366
  C      -8.256172      3.848907      7.533626
  C      -8.890341      3.531198      6.198908
  N      -8.130711      3.595593      5.115019
  C      -8.703749      3.306260      3.908275
  N      -9.953176      2.936587      3.687614
  C     -10.764221      2.871256      4.791236
  C     -12.122506      2.495153      4.627465
  C     -12.964958      2.436234      5.721169
  C     -12.487093      2.747900      7.017767
  C     -11.166159      3.112278      7.206193
  C     -10.278164      3.178812      6.102364
  H      -3.601146      1.058325      3.120975
  H      -4.741728      1.961700      4.200430
  H      -4.968736     -0.263025      5.535307
  H      -4.420126     -1.034832      4.030232
  H      -6.858333     -0.895810      3.945359
  H      -6.840829      0.830047      4.377241
  H      -6.079165      3.250797      0.703446
  H      -5.497162     -0.384114     -2.064061
  H      -5.401230     -2.865142     -1.711874
  H      -5.667581     -3.811483      0.581281
  H      -6.034379     -2.316923      2.519926
  H      -4.796210      5.923852      5.844818
  H      -3.433831      6.638261      6.725941
  H      -2.711161      7.828091      4.658480
  H      -4.375650      8.216037      5.127809
  H      -4.002324      7.878955      2.631372
  H      -3.634633      6.186740      2.943138
  H      -8.353375      6.823609      5.127975
  H      -9.424944      5.514622      0.852216
  H      -8.135511      5.253833     -1.283245
  H      -5.676782      5.662377     -1.313457
  H      -4.486557      6.314941      0.757486
  H      -6.081666      2.119147      8.032624
  H      -6.347659      2.366752      6.286176
  H      -6.431822      4.543610      8.443843
  H      -6.532913      4.847165      6.694803
  H      -8.474151      3.023277      8.237851
  H      -8.782201      4.723715      7.958049
  H      -8.028577      3.393945      3.044941
  H     -12.471956      2.264218      3.617651
  H     -14.012249      2.149731      5.588089
  H     -13.168256      2.699571      7.871882
  H     -10.805165      3.351434      8.209754
95
Coordinates from ORCA-job orca E -6148.284526109214
  N      -2.976969      1.378196      5.136103
  Mo     -3.611793      3.236480      5.327052
  N      -4.539025      3.067876      7.001076
  C      -3.696062      3.126631      8.206412
  C      -2.348279      2.474040      7.910094
  N      -1.780540      3.042993      6.651463
  C      -0.833355      2.140056      5.933390
  C      -1.562706      1.111521      5.025379
  C      -1.166274      4.385791      6.850221
  C      -1.502817      5.236530      5.615722
  N      -2.929120      5.100374      5.367942
  H      -1.187435      1.204670      3.986936
  H      -1.331568      0.077911      5.348044
  H      -0.218474      2.795342      5.302199
  H      -0.154179      1.651672      6.655636
  H      -1.221809      6.289654      5.795082
  H      -0.902672      4.900587      4.750800
  H      -1.607968      4.839021      7.748052
  H      -0.079822      4.281123      7.020114
  H      -4.167667      2.585320      9.047706
  H      -3.551029      4.170860      8.548831
  H      -2.489021      1.399837      7.735232
  H      -1.640722      2.608965      8.749495
  C      -3.976577      1.104943      4.150164
  C      -4.886076     -0.112636      4.412161
  C      -6.291819      0.035943      3.805733
  C      -6.225484      0.467609      2.366689
  N      -6.334315      1.782351      2.137886
  C      -6.166977      2.202500      0.860024
  N      -5.934831      1.467276     -0.215642
  C      -5.849343      0.113485     -0.009321
  C      -5.618146     -0.742190     -1.111037
  C      -5.511255     -2.111868     -0.925927
  C      -5.632991     -2.670273      0.364057
  C      -5.861778     -1.856558      1.461551
  C      -5.979590     -0.451137      1.301880
  C      -3.746739      6.257612      5.715033
  C      -3.705686      7.396476      4.688910
  C      -4.181070      7.001424      3.294541
  C      -5.655438      6.702492      3.173566
  N      -6.442870      6.927860      4.223672
  C      -7.770510      6.686320      4.072859
  N      -8.403783      6.272653      2.991568
  C      -7.625039      6.083470      1.880207
  C      -8.241377      5.701565      0.663444
  C      -7.482053      5.539082     -0.481001
  C      -6.083818      5.737891     -0.447032
  C      -5.455664      6.096518      0.733249
  C      -6.209237      6.277386      1.920060
  C      -5.960665      2.841965      7.222519
  C      -6.768560      4.113556      7.503174
  C      -8.271123      3.850197      7.576522
  C      -8.933141      3.513512      6.260381
  N      -8.204429      3.572487      5.156610
  C      -8.811251      3.271734      3.971806
  N     -10.061480      2.897232      3.787011
  C     -10.839647      2.834261      4.911940
  C     -12.198557      2.450164      4.788790
  C     -13.008609      2.392753      5.904958
  C     -12.496897      2.714493      7.184108
  C     -11.174537      3.087299      7.332483
  C     -10.319530      3.151932      6.204790
  H      -3.610474      1.115556      3.105817
  H      -4.753734      1.983292      4.189098
  H      -4.956331     -0.258127      5.501395
  H      -4.389914     -1.004169      3.992961
  H      -6.830953     -0.916976      3.915107
  H      -6.852107      0.804261      4.358841
  H      -6.238572      3.282775      0.709535
  H      -5.527442     -0.289538     -2.100453
  H      -5.333733     -2.765712     -1.782535
  H      -5.549448     -3.751207      0.495676
  H      -5.959873     -2.300260      2.454026
  H      -4.788563      5.927863      5.827556
  H      -3.432290      6.653183      6.703359
  H      -2.678878      7.793001      4.616269
  H      -4.334205      8.215761      5.072598
  H      -3.945041      7.813051      2.581864
  H      -3.608785      6.127230      2.939923
  H      -8.380795      6.856557      4.966438
  H      -9.321496      5.543981      0.665558
  H      -7.960106      5.239615     -1.415836
  H      -5.497277      5.598057     -1.357168
  H      -4.374343      6.241039      0.750931
  H      -6.094126      2.125075      8.060517
  H      -6.365319      2.369690      6.315479
  H      -6.439645      4.562201      8.454908
  H      -6.556082      4.839446      6.704526
  H      -8.478838      3.033621      8.292317
  H      -8.790210      4.728232      8.000531
  H      -8.164378      3.354338      3.092374
  H     -12.574623      2.211290      3.792212
  H     -14.055863      2.099640      5.803357
  H     -13.152326      2.667416      8.056069
  H     -10.787435      3.334111      8.322616
95
Coordinates from ORCA-job orca E -6148.286571823659
  N      -2.988653      1.383260      5.131536
  Mo     -3.623491      3.222023      5.356785
  N      -4.552831      3.062844      7.034310
  C      -3.713452      3.116906      8.239864
  C      -2.367015      2.465439      7.936557
  N      -1.804960      3.033475      6.677084
  C      -0.855945      2.127593      5.964936
  C      -1.576967      1.104980      5.044812
  C      -1.194474      4.377094      6.869751
  C      -1.507248      5.211569      5.620111
  N      -2.928554      5.081018      5.348007
  H      -1.187110      1.200751      4.012194
  H      -1.355740      0.069207      5.367219
  H      -0.227219      2.777940      5.343213
  H      -0.190065      1.630541      6.693006
  H      -1.221337      6.264731      5.789146
  H      -0.895801      4.858110      4.770741
  H      -1.653664      4.842922      7.752123
  H      -0.111499      4.275945      7.061517
  H      -4.182844      2.573132      9.080505
  H      -3.567196      4.159756      8.585957
  H      -2.510283      1.391362      7.761550
  H      -1.656133      2.597629      8.773440
  C      -3.979156      1.110278      4.138637
  C      -4.866281     -0.126173      4.384618
  C      -6.267129      0.017213      3.766133
  C      -6.188573      0.472715      2.335026
  N      -6.311118      1.790544      2.129419
  C      -6.138630      2.237774      0.862826
  N      -5.881879      1.527059     -0.221767
  C      -5.780458      0.170814     -0.042056
  C      -5.525133     -0.658083     -1.157726
  C      -5.405974     -2.029728     -0.999159
  C      -5.539538     -2.615615      0.276562
  C      -5.791614     -1.828452      1.387452
  C      -5.920763     -0.421630      1.256032
  C      -3.744303      6.243870      5.679900
  C      -3.698249      7.364531      4.634505
  C      -4.181849      6.938096      3.251962
  C      -5.660290      6.653242      3.144866
  N      -6.436948      6.895326      4.199746
  C      -7.766581      6.666965      4.063478
  N      -8.414491      6.257102      2.990595
  C      -7.647993      6.044714      1.875329
  C      -8.279089      5.656140      0.669334
  C      -7.530978      5.469619     -0.478677
  C      -6.130999      5.649801     -0.458160
  C      -5.487994      6.013093      0.712247
  C      -6.229017      6.219419      1.901882
  C      -5.975306      2.847565      7.254380
  C      -6.769292      4.132189      7.516228
  C      -8.275256      3.890763      7.598164
  C      -8.947383      3.536768      6.291745
  N      -8.225291      3.563795      5.182207
  C      -8.843816      3.250250      4.008374
  N     -10.098722      2.889754      3.839281
  C     -10.871410      2.858051      4.968399
  C     -12.235271      2.490637      4.859768
  C     -13.038267      2.463307      5.981653
  C     -12.513529      2.799508      7.250927
  C     -11.186130      3.156743      7.385105
  C     -10.337506      3.190986      6.251512
  H      -3.607575      1.135265      3.095992
  H      -4.763930      1.974927      4.173773
  H      -4.946086     -0.279700      5.471719
  H      -4.355003     -1.008124      3.964975
  H      -6.804404     -0.938634      3.856775
  H      -6.835359      0.776357      4.323702
  H      -6.223422      3.320116      0.732179
  H      -5.426988     -0.184143     -2.135723
  H      -5.210090     -2.663492     -1.866068
  H      -5.446778     -3.697674      0.386578
  H      -5.898991     -2.293732      2.368452
  H      -4.788150      5.919394      5.795322
  H      -3.430148      6.654186      6.661498
  H      -2.668309      7.749136      4.550270
  H      -4.318217      8.197267      5.001221
  H      -3.940856      7.725925      2.515640
  H      -3.618955      6.048579      2.921304
  H      -8.366285      6.849927      4.961709
  H      -9.360676      5.513696      0.681678
  H      -8.020233      5.166566     -1.405925
  H      -5.554141      5.489601     -1.370482
  H      -4.404871      6.140190      0.720130
  H      -6.121327      2.139802      8.097416
  H      -6.381158      2.372892      6.348680
  H      -6.429776      4.595612      8.456428
  H      -6.551003      4.838842      6.701971
  H      -8.492314      3.091865      8.330016
  H      -8.779097      4.785099      8.005044
  H      -8.201871      3.291510      3.124229
  H     -12.620479      2.239623      3.870325
  H     -14.089396      2.182513      5.892167
  H     -13.163496      2.775887      8.127291
  H     -10.789338      3.415066      8.367836
95
Coordinates from ORCA-job orca E -6148.288283147942
  N      -2.993696      1.390106      5.120578
  Mo     -3.628454      3.212877      5.384063
  N      -4.558939      3.059328      7.067573
  C      -3.720981      3.105760      8.272130
  C      -2.376630      2.454887      7.959090
  N      -1.824112      3.022487      6.695319
  C      -0.871370      2.111831      5.992007
  C      -1.585358      1.094165      5.061568
  C      -1.214579      4.365977      6.885878
  C      -1.502036      5.188722      5.626290
  N      -2.920230      5.065600      5.329868
  H      -1.179602      1.186863      4.035021
  H      -1.378393      0.056945      5.388269
  H      -0.225843      2.754880      5.380568
  H      -0.222696      1.606978      6.729609
  H      -1.209231      6.240579      5.790625
  H      -0.881477      4.820933      4.790144
  H      -1.691593      4.841722      7.753361
  H      -0.135374      4.268012      7.099383
  H      -4.187254      2.556618      9.110930
  H      -3.572065      4.146122      8.625297
  H      -2.525059      1.381236      7.784672
  H      -1.659042      2.583481      8.790586
  C      -3.977273      1.119257      4.122112
  C      -4.842885     -0.135694      4.353590
  C      -6.244917     -0.015800      3.727869
  C      -6.174987      0.445429      2.297716
  N      -6.345252      1.758905      2.095316
  C      -6.195934      2.214804      0.829196
  N      -5.913529      1.516611     -0.257192
  C      -5.760284      0.164920     -0.081035
  C      -5.475388     -0.650762     -1.198834
  C      -5.308113     -2.018181     -1.043814
  C      -5.422089     -2.611713      0.230080
  C      -5.701937     -1.837409      1.343355
  C      -5.878876     -0.435357      1.216246
  C      -3.734298      6.231127      5.658304
  C      -3.689713      7.345143      4.605699
  C      -4.192263      6.912200      3.232047
  C      -5.674692      6.645794      3.140388
  N      -6.437814      6.888566      4.204802
  C      -7.769388      6.665715      4.084325
  N      -8.432168      6.259580      3.018408
  C      -7.679191      6.042058      1.895219
  C      -8.323532      5.648571      0.698144
  C      -7.587596      5.455029     -0.456946
  C      -6.187534      5.633297     -0.452582
  C      -5.531124      5.999875      0.709333
  C      -6.259149      6.213910      1.905516
  C      -5.983054      2.856770      7.281323
  C      -6.765681      4.153273      7.524066
  C      -8.274251      3.930745      7.607498
  C      -8.947729      3.564989      6.305238
  N      -8.225272      3.570326      5.195694
  C      -8.846908      3.247159      4.026986
  N     -10.106356      2.899802      3.861838
  C     -10.879562      2.890113      4.990236
  C     -12.247224      2.536736      4.885507
  C     -13.049977      2.529711      6.008078
  C     -12.520571      2.873090      7.273317
  C     -11.189430      3.217464      7.403626
  C     -10.340550      3.231226      6.269411
  H      -3.599684      1.155464      3.081782
  H      -4.763705      1.977501      4.159649
  H      -4.930185     -0.292354      5.439509
  H      -4.312480     -1.006690      3.936361
  H      -6.768583     -0.979264      3.814173
  H      -6.826313      0.733450      4.285650
  H      -6.326052      3.292480      0.700143
  H      -5.394487     -0.170804     -2.175073
  H      -5.089815     -2.642132     -1.912031
  H      -5.291970     -3.689918      0.337040
  H      -5.793166     -2.308323      2.322972
  H      -4.779026      5.909331      5.777220
  H      -3.416847      6.648036      6.635334
  H      -2.656036      7.714914      4.505668
  H      -4.296596      8.187015      4.972743
  H      -3.947145      7.688124      2.485084
  H      -3.644643      6.010670      2.908279
  H      -8.357606      6.847701      4.989897
  H      -9.404872      5.508487      0.722235
  H      -8.087371      5.149518     -1.377352
  H      -5.620544      5.465615     -1.369305
  H      -4.447595      6.120941      0.706251
  H      -6.144737      2.158496      8.129194
  H      -6.388950      2.380185      6.376144
  H      -6.420087      4.628385      8.455833
  H      -6.540212      4.843521      6.697606
  H      -8.502014      3.145881      8.350594
  H      -8.766652      4.838743      7.996998
  H      -8.207407      3.266884      3.141716
  H     -12.634933      2.279608      3.898996
  H     -14.103786      2.259445      5.922214
  H     -13.170160      2.865386      8.149874
  H     -10.789248      3.481834      8.382925
95
Coordinates from ORCA-job orca E -6148.289773934132
  N      -3.000056      1.395156      5.113513
  Mo     -3.641448      3.199940      5.418034
  N      -4.562723      3.048951      7.117129
  C      -3.718403      3.089393      8.315137
  C      -2.375983      2.444439      7.981748
  N      -1.847512      3.015048      6.707563
  C      -0.887410      2.102856      6.011746
  C      -1.595495      1.082348      5.079746
  C      -1.243039      4.361841      6.895603
  C      -1.514610      5.174769      5.630661
  N      -2.931179      5.050114      5.316641
  H      -1.178755      1.165816      4.056841
  H      -1.399774      0.046352      5.417064
  H      -0.231138      2.739687      5.405317
  H      -0.251505      1.596852      6.759224
  H      -1.219593      6.226601      5.791286
  H      -0.889054      4.797660      4.802497
  H      -1.736538      4.843205      7.750900
  H      -0.166185      4.271995      7.125196
  H      -4.173494      2.530841      9.154060
  H      -3.567632      4.127118      8.676808
  H      -2.527947      1.370697      7.809210
  H      -1.643793      2.572442      8.800440
  C      -3.979272      1.120510      4.113189
  C      -4.821335     -0.152643      4.328774
  C      -6.222841     -0.045771      3.699160
  C      -6.156830      0.437307      2.275825
  N      -6.350966      1.750508      2.092389
  C      -6.218348      2.226483      0.831837
  N      -5.923328      1.549231     -0.265219
  C      -5.739257      0.199262     -0.107832
  C      -5.436561     -0.594472     -1.236678
  C      -5.241587     -1.960737     -1.100376
  C      -5.345195     -2.574057      0.165076
  C      -5.641559     -1.821441      1.289148
  C      -5.845413     -0.421075      1.181825
  C      -3.751458      6.215351      5.634994
  C      -3.704197      7.322814      4.574300
  C      -4.203542      6.879403      3.201825
  C      -5.687920      6.625011      3.104578
  N      -6.453179      6.872614      4.166589
  C      -7.785022      6.653606      4.044364
  N      -8.447364      6.244677      2.978131
  C      -7.692319      6.020076      1.858015
  C      -8.333554      5.618560      0.661896
  C      -7.594445      5.417663     -0.490378
  C      -6.194403      5.596350     -0.484213
  C      -5.540350      5.970147      0.676991
  C      -6.271215      6.191847      1.870417
  C      -5.986566      2.855083      7.332062
  C      -6.761862      4.160857      7.558864
  C      -8.272577      3.953973      7.645350
  C      -8.947658      3.576979      6.346959
  N      -8.223898      3.559122      5.238138
  C      -8.848108      3.228685      4.073514
  N     -10.113074      2.896363      3.910882
  C     -10.887944      2.911602      5.037723
  C     -12.260672      2.577197      4.935161
  C     -13.064724      2.594465      6.057087
  C     -12.531086      2.944150      7.318943
  C     -11.195138      3.270890      7.447237
  C     -10.344350      3.259959      6.313776
  H      -3.598880      1.166725      3.073580
  H      -4.768889      1.974002      4.160660
  H      -4.914602     -0.317803      5.413056
  H      -4.274705     -1.010540      3.906332
  H      -6.737863     -1.015374      3.769856
  H      -6.813094      0.690288      4.265484
  H      -6.375405      3.302085      0.717013
  H      -5.365128     -0.098941     -2.205949
  H      -5.009756     -2.568043     -1.976983
  H      -5.193885     -3.651032      0.257174
  H      -5.724348     -2.307083      2.262455
  H      -4.796952      5.892665      5.747752
  H      -3.439946      6.640085      6.610185
  H      -2.667554      7.683857      4.472365
  H      -4.309723      8.169419      4.932339
  H      -3.945869      7.643416      2.447080
  H      -3.662702      5.967583      2.895042
  H      -8.375814      6.841127      4.947202
  H      -9.415095      5.478846      0.683469
  H      -8.092692      5.107172     -1.410083
  H      -5.624836      5.421672     -1.398171
  H      -4.456600      6.090052      0.676030
  H      -6.158245      2.168110      8.187405
  H      -6.396955      2.373998      6.430895
  H      -6.409633      4.646307      8.482805
  H      -6.532916      4.836769      6.721386
  H      -8.508682      3.182169      8.399201
  H      -8.754365      4.875053      8.017110
  H      -8.209617      3.224426      3.187126
  H     -12.650443      2.314778      3.950726
  H     -14.122421      2.338675      5.973329
  H     -13.181676      2.955485      8.194913
  H     -10.791735      3.540900      8.423763
95
Coordinates from ORCA-job orca E -6148.290965652843
  N      -3.006785      1.395415      5.102153
  Mo     -3.645922      3.189012      5.448021
  N      -4.565361      3.048234      7.153370
  C      -3.718993      3.082487      8.349466
  C      -2.381768      2.432396      8.008790
  N      -1.864212      2.998903      6.724702
  C      -0.900228      2.080646      6.035251
  C      -1.605553      1.063604      5.095566
  C      -1.256078      4.347659      6.907923
  C      -1.504861      5.148945      5.629503
  N      -2.920625      5.031673      5.295310
  H      -1.170640      1.137167      4.079377
  H      -1.427939      0.026695      5.441005
  H      -0.232017      2.714974      5.438707
  H      -0.277708      1.571247      6.791849
  H      -1.203934      6.200681      5.782932
  H      -0.872615      4.760041      4.811557
  H      -1.764115      4.838029      7.749785
  H      -0.183531      4.255848      7.158428
  H      -4.173665      2.520554      9.187056
  H      -3.562291      4.117351      8.717987
  H      -2.539487      1.358851      7.838734
  H      -1.639057      2.558835      8.818509
  C      -3.987013      1.123373      4.100357
  C      -4.815786     -0.160445      4.304581
  C      -6.216024     -0.075816      3.670820
  C      -6.158229      0.408826      2.247781
  N      -6.392277      1.714666      2.060180
  C      -6.272071      2.189709      0.796971
  N      -5.951272      1.518411     -0.298633
  C      -5.723313      0.175709     -0.134349
  C      -5.388650     -0.613551     -1.258378
  C      -5.150489     -1.972748     -1.115449
  C      -5.242105     -2.584525      0.152481
  C      -5.568879     -1.836338      1.271819
  C      -5.815827     -0.442862      1.157141
  C      -3.739833      6.200071      5.608098
  C      -3.691329      7.304774      4.544418
  C      -4.206788      6.866644      3.177076
  C      -5.694104      6.630639      3.093795
  N      -6.442963      6.870888      4.168419
  C      -7.779883      6.664939      4.059551
  N      -8.458579      6.271543      2.996466
  C      -7.718111      6.052992      1.864994
  C      -8.375920      5.667531      0.671362
  C      -7.651767      5.473122     -0.491545
  C      -6.249449      5.642464     -0.500589
  C      -5.579781      6.000406      0.656939
  C      -6.295863      6.215440      1.861579
  C      -5.992157      2.869207      7.361178
  C      -6.761181      4.183068      7.565322
  C      -8.272943      3.986435      7.653802
  C      -8.948671      3.597017      6.358776
  N      -8.224382      3.569465      5.249825
  C      -8.848742      3.226384      4.087640
  N     -10.116256      2.895970      3.926755
  C     -10.890267      2.922668      5.054710
  C     -12.264572      2.590118      4.955623
  C     -13.068405      2.617292      6.077873
  C     -12.533452      2.975454      7.337773
  C     -11.196323      3.300844      7.462717
  C     -10.346122      3.280242      6.328476
  H      -3.606673      1.179754      3.061100
  H      -4.773251      1.976869      4.158546
  H      -4.913068     -0.330871      5.388180
  H      -4.253005     -1.007789      3.880761
  H      -6.713957     -1.054924      3.739216
  H      -6.820387      0.648564      4.237427
  H      -6.466877      3.258328      0.676989
  H      -5.327777     -0.119652     -2.230024
  H      -4.893966     -2.576091     -1.988795
  H      -5.057439     -3.656501      0.250099
  H      -5.642056     -2.320048      2.247588
  H      -4.785768      5.878286      5.721799
  H      -3.428523      6.627891      6.582499
  H      -2.651036      7.653803      4.431654
  H      -4.284899      8.158234      4.908033
  H      -3.942796      7.625720      2.418965
  H      -3.681971      5.945594      2.868004
  H      -8.359157      6.847737      4.971072
  H      -9.458666      5.534196      0.703968
  H      -8.163434      5.174096     -1.408482
  H      -5.691197      5.472227     -1.423051
  H      -4.494809      6.112928      0.644805
  H      -6.176009      2.195159      8.225182
  H      -6.401306      2.379017      6.464251
  H      -6.406580      4.682313      8.481658
  H      -6.528501      4.843796      6.716552
  H      -8.514884      3.226591      8.418561
  H      -8.750545      4.915777      8.011613
  H      -8.209554      3.216074      3.199553
  H     -12.655303      2.320693      3.972687
  H     -14.127275      2.362692      5.996328
  H     -13.183893      2.994347      8.214527
  H     -10.791681      3.577437      8.437629
95
Coordinates from ORCA-job orca E -6148.291986919927
  N      -3.018566      1.404933      5.091876
  Mo     -3.667836      3.178479      5.486748
  N      -4.568706      3.035916      7.211196
  C      -3.710905      3.062799      8.395948
  C      -2.376071      2.423517      8.027053
  N      -1.891442      2.996414      6.730813
  C      -0.920208      2.083292      6.039219
  C      -1.622285      1.060221      5.104777
  C      -1.289062      4.349689      6.911227
  C      -1.533342      5.145103      5.631022
  N      -2.946770      5.020228      5.289215
  H      -1.179373      1.121163      4.091372
  H      -1.453535      0.026310      5.463121
  H      -0.253987      2.719264      5.442822
  H      -0.299420      1.577747      6.798861
  H      -1.235889      6.197817      5.782466
  H      -0.899937      4.755191      4.815022
  H      -1.807493      4.840131      7.746382
  H      -0.218164      4.264007      7.169909
  H      -4.150581      2.487161      9.232316
  H      -3.553994      4.093081      8.776965
  H      -2.533174      1.349934      7.856235
  H      -1.613901      2.551406      8.817566
  C      -3.998091      1.127124      4.093018
  C      -4.804086     -0.172591      4.278910
  C      -6.203235     -0.098954      3.641550
  C      -6.150183      0.407818      2.225690
  N      -6.403319      1.712684      2.055523
  C      -6.295495      2.205517      0.798890
  N      -5.966362      1.554224     -0.305542
  C      -5.715941      0.213623     -0.159480
  C      -5.368771     -0.554628     -1.293828
  C      -5.109452     -1.911240     -1.169549
  C      -5.192261     -2.541750      0.089277
  C      -5.530728     -1.814610      1.218327
  C      -5.798120     -0.423722      1.123065
  C      -3.774134      6.184546      5.593230
  C      -3.717902      7.286714      4.526651
  C      -4.215906      6.834860      3.156554
  C      -5.702933      6.601128      3.056773
  N      -6.462112      6.838799      4.124870
  C      -7.796367      6.627065      4.005464
  N      -8.463919      6.226575      2.938847
  C      -7.713548      6.009348      1.814191
  C      -8.359210      5.614731      0.617359
  C      -7.625404      5.424033     -0.539488
  C      -6.225040      5.606131     -0.539541
  C      -5.566751      5.971939      0.621386
  C      -6.292876      6.183081      1.820283
  C      -5.993462      2.868589      7.429194
  C      -6.753101      4.191043      7.617776
  C      -8.266920      4.008988      7.703497
  C      -8.940513      3.610174      6.409899
  N      -8.210920      3.559405      5.304843
  C      -8.831805      3.205230      4.145379
  N     -10.101247      2.886066      3.982054
  C     -10.881467      2.939782      5.104262
  C     -12.258973      2.623437      5.001215
  C     -13.068850      2.676456      6.117487
  C     -12.536923      3.044769      7.375352
  C     -11.197122      3.354758      7.504313
  C     -10.340576      3.308460      6.375987
  H      -3.621263      1.198064      3.052865
  H      -4.787326      1.975455      4.170652
  H      -4.903357     -0.359216      5.359481
  H      -4.226099     -1.003613      3.844172
  H      -6.689046     -1.084972      3.692656
  H      -6.818203      0.608402      4.217679
  H      -6.507670      3.272589      0.692814
  H      -5.315531     -0.046493     -2.258168
  H      -4.843148     -2.498073     -2.050729
  H      -4.991347     -3.611680      0.172086
  H      -5.596821     -2.312295      2.187112
  H      -4.820357      5.858844      5.693893
  H      -3.476261      6.615583      6.570100
  H      -2.676771      7.635369      4.423624
  H      -4.318058      8.140216      4.877570
  H      -3.937848      7.582099      2.392751
  H      -3.689659      5.907539      2.868336
  H      -8.384879      6.810780      4.910679
  H      -9.440746      5.472743      0.641914
  H      -8.128323      5.118993     -1.458879
  H      -5.658939      5.438180     -1.457169
  H      -4.483035      6.094290      0.616653
  H      -6.181436      2.208712      8.303355
  H      -6.412266      2.370767      6.541096
  H      -6.395371      4.697776      8.528418
  H      -6.514240      4.839453      6.761460
  H      -8.518842      3.260996      8.476017
  H      -8.736347      4.948172      8.045316
  H      -8.188046      3.166520      3.261954
  H     -12.646504      2.345420      4.019782
  H     -14.130061      2.434405      6.033001
  H     -13.192138      3.083615      8.247444
  H     -10.794804      3.639474      8.477481
95
Coordinates from ORCA-job orca E -6148.292885717508
  N      -3.040722      1.411362      5.080387
  Mo     -3.685437      3.170076      5.528977
  N      -4.568432      3.029511      7.264790
  C      -3.700217      3.046124      8.440705
  C      -2.371522      2.408767      8.051260
  N      -1.909335      2.982993      6.745277
  C      -0.941749      2.070278      6.042559
  C      -1.649125      1.050429      5.108792
  C      -1.304837      4.338564      6.919891
  C      -1.542975      5.126397      5.632363
  N      -2.955461      5.004616      5.281691
  H      -1.195130      1.100392      4.099674
  H      -1.495122      0.016400      5.474168
  H      -0.278869      2.710277      5.447023
  H      -0.318259      1.562317      6.798157
  H      -1.243145      6.179466      5.778041
  H      -0.907064      4.731191      4.821030
  H      -1.828445      4.833097      7.749258
  H      -0.236185      4.250138      7.187219
  H      -4.132424      2.461529      9.275172
  H      -3.538871      4.071522      8.833152
  H      -2.529829      1.335409      7.879283
  H      -1.593825      2.536063      8.826453
  C      -4.026608      1.138245      4.086579
  C      -4.821002     -0.169749      4.257777
  C      -6.215719     -0.103930      3.611741
  C      -6.155897      0.408255      2.198491
  N      -6.423776      1.709527      2.027334
  C      -6.305680      2.205852      0.772846
  N      -5.953955      1.561221     -0.328450
  C      -5.689179      0.223423     -0.181233
  C      -5.316977     -0.538684     -1.312209
  C      -5.042470     -1.891757     -1.186989
  C      -5.135012     -2.526258      0.069436
  C      -5.497764     -1.805297      1.194718
  C      -5.780265     -0.417540      1.098221
  C      -3.781597      6.172793      5.572842
  C      -3.723268      7.264472      4.494891
  C      -4.230709      6.802746      3.131063
  C      -5.721775      6.594129      3.031275
  N      -6.477912      6.849578      4.096847
  C      -7.816188      6.659893      3.976584
  N      -8.488448      6.263769      2.912069
  C      -7.740141      6.026345      1.790164
  C      -8.391062      5.633275      0.595284
  C      -7.659429      5.421616     -0.558737
  C      -6.255721      5.579983     -0.558386
  C      -5.593224      5.944182      0.600329
  C      -6.317437      6.177163      1.796353
  C      -5.992964      2.876232      7.491870
  C      -6.743508      4.205365      7.665238
  C      -8.258223      4.031349      7.743585
  C      -8.921978      3.627702      6.446456
  N      -8.182921      3.577719      5.347330
  C      -8.792047      3.216295      4.183535
  N     -10.059257      2.895117      4.009418
  C     -10.849299      2.950765      5.125089
  C     -12.225655      2.632714      5.010439
  C     -13.045457      2.686310      6.119136
  C     -12.525360      3.057015      7.381503
  C     -11.187181      3.368631      7.521744
  C     -10.320922      3.322117      6.400990
  H      -3.658481      1.227157      3.044471
  H      -4.811885      1.982602      4.185622
  H      -4.923373     -0.368999      5.335852
  H      -4.232038     -0.990419      3.817345
  H      -6.692187     -1.094997      3.654412
  H      -6.841573      0.594206      4.187048
  H      -6.529861      3.270382      0.665810
  H      -5.256720     -0.028182     -2.274993
  H      -4.756594     -2.473335     -2.065603
  H      -4.922443     -3.593904      0.152877
  H      -5.571633     -2.305952      2.161425
  H      -4.828161      5.848666      5.675821
  H      -3.486576      6.613034      6.546776
  H      -2.679725      7.603537      4.384456
  H      -4.313728      8.127238      4.839849
  H      -3.937452      7.531894      2.355747
  H      -3.721323      5.861518      2.856663
  H      -8.402608      6.860751      4.879555
  H      -9.474832      5.508858      0.619724
  H      -8.166149      5.117132     -1.476302
  H      -5.691533      5.395419     -1.474029
  H      -4.507583      6.049051      0.596232
  H      -6.183315      2.228416      8.374855
  H      -6.418359      2.369379      6.611845
  H      -6.386802      4.719422      8.572241
  H      -6.497917      4.844136      6.803635
  H      -8.518943      3.288932      8.518683
  H      -8.727495      4.973757      8.077047
  H      -8.138876      3.177527      3.306301
  H     -12.604180      2.352615      4.026007
  H     -14.105657      2.442893      6.025419
  H     -13.188371      3.096251      8.247716
  H     -10.794072      3.655037      8.498233
95
Coordinates from ORCA-job orca E -6148.293759366870
  N      -3.059929      1.421820      5.068475
  Mo     -3.705724      3.162906      5.572954
  N      -4.563246      3.016218      7.322501
  C      -3.680165      3.023457      8.486201
  C      -2.354838      2.397188      8.069687
  N      -1.922671      2.977537      6.754500
  C      -0.959301      2.071719      6.033097
  C      -1.672604      1.049434      5.108210
  C      -1.322293      4.337137      6.924284
  C      -1.566156      5.121786      5.636854
  N      -2.977209      4.995210      5.283829
  H      -1.211910      1.085355      4.101468
  H      -1.528129      0.017628      5.484503
  H      -0.310249      2.719640      5.431268
  H      -0.322489      1.565494      6.778543
  H      -1.269759      6.176118      5.781942
  H      -0.928340      4.729768      4.825521
  H      -1.847933      4.829839      7.753398
  H      -0.253673      4.250307      7.192267
  H      -4.098664      2.425318      9.318318
  H      -3.518550      4.043738      8.892225
  H      -2.508581      1.323342      7.895913
  H      -1.560378      2.527721      8.826928
  C      -4.052663      1.148233      4.082940
  C      -4.830242     -0.170024      4.243588
  C      -6.224538     -0.117099      3.595368
  C      -6.168863      0.395043      2.182270
  N      -6.461365      1.689510      2.005711
  C      -6.351294      2.183458      0.749574
  N      -5.985517      1.542220     -0.348277
  C      -5.697007      0.210019     -0.196374
  C      -5.310315     -0.548866     -1.324872
  C      -5.013464     -1.896104     -1.195370
  C      -5.097992     -2.529054      0.062611
  C      -5.474599     -1.811274      1.184913
  C      -5.778982     -0.428747      1.084252
  C      -3.805685      6.163544      5.563843
  C      -3.739149      7.250466      4.481128
  C      -4.244682      6.780874      3.119550
  C      -5.737858      6.595507      3.013350
  N      -6.492735      6.860135      4.076434
  C      -7.833771      6.689900      3.952703
  N      -8.507941      6.303282      2.887143
  C      -7.760008      6.052780      1.767984
  C      -8.413723      5.664544      0.573022
  C      -7.682268      5.437962     -0.577643
  C      -6.276248      5.576553     -0.574173
  C      -5.611814      5.936277      0.584318
  C      -6.335786      6.183907      1.777237
  C      -5.986160      2.874774      7.564610
  C      -6.727899      4.210170      7.724836
  C      -8.244515      4.044469      7.781900
  C      -8.890098      3.648460      6.472811
  N      -8.136224      3.611131      5.382336
  C      -8.726475      3.250243      4.208569
  N      -9.988872      2.924099      4.015432
  C     -10.795155      2.971502      5.120083
  C     -12.168591      2.650143      4.983779
  C     -13.004244      2.693870      6.080912
  C     -12.503286      3.057266      7.353064
  C     -11.168277      3.371505      7.514448
  C     -10.286338      3.336080      6.405628
  H      -3.697055      1.256338      3.037848
  H      -4.836863      1.986650      4.207527
  H      -4.929686     -0.381601      5.319556
  H      -4.231056     -0.979604      3.796036
  H      -6.688237     -1.114316      3.635446
  H      -6.860505      0.571258      4.171071
  H      -6.596133      3.243026      0.638435
  H      -5.257229     -0.040385     -2.289067
  H      -4.716327     -2.475125     -2.071850
  H      -4.868163     -3.592751      0.149100
  H      -5.542323     -2.311053      2.152391
  H      -4.853356      5.839442      5.661207
  H      -3.520164      6.609261      6.538279
  H      -2.693719      7.583989      4.372864
  H      -4.325644      8.119034      4.818172
  H      -3.934410      7.493598      2.335937
  H      -3.748992      5.827669      2.860758
  H      -8.419104      6.901392      4.853939
  H      -9.499044      5.555170      0.595422
  H      -8.190545      5.136858     -1.495385
  H      -5.712700      5.380216     -1.487657
  H      -4.524892      6.026252      0.582650
  H      -6.175348      2.239177      8.456796
  H      -6.420263      2.358188      6.694229
  H      -6.378692      4.725393      8.633988
  H      -6.468531      4.844556      6.864295
  H      -8.519228      3.300020      8.550224
  H      -8.715996      4.986526      8.113158
  H      -8.058588      3.213062      3.342073
  H     -12.532254      2.375276      3.992370
  H     -14.062190      2.447961      5.970483
  H     -13.178614      3.088517      8.209956
  H     -10.790126      3.652089      8.498461
95
Coordinates from ORCA-job orca E -6148.294655093444
  N      -3.081602      1.434273      5.060404
  Mo     -3.726366      3.157059      5.620905
  N      -4.555362      2.998717      7.381877
  C      -3.655459      2.996962      8.532339
  C      -2.332922      2.384493      8.088652
  N      -1.930660      2.973773      6.767372
  C      -0.975816      2.077773      6.020634
  C      -1.697931      1.051689      5.108021
  C      -1.338705      4.338654      6.933676
  C      -1.595852      5.124878      5.650482
  N      -3.005644      4.990200      5.296752
  H      -1.232680      1.072744      4.102839
  H      -1.561251      0.022526      5.495519
  H      -0.347233      2.735628      5.408065
  H      -0.318062      1.573934      6.749600
  H      -1.305864      6.180813      5.799212
  H      -0.954510      4.741971      4.837176
  H      -1.863845      4.824976      7.767057
  H      -0.268441      4.256087      7.197018
  H      -4.058669      2.385155      9.362281
  H      -3.494474      4.012559      8.950983
  H      -2.478860      1.309748      7.912697
  H      -1.524324      2.519820      8.829892
  C      -4.083164      1.160868      4.082947
  C      -4.847440     -0.164989      4.233963
  C      -6.241541     -0.118011      3.584188
  C      -6.186858      0.392212      2.170891
  N      -6.490046      1.682058      1.988936
  C      -6.381908      2.173237      0.731078
  N      -6.007633      1.532068     -0.363117
  C      -5.709434      0.202857     -0.206677
  C      -5.315057     -0.555933     -1.333001
  C      -5.009650     -1.900125     -1.199277
  C      -5.092852     -2.530920      0.060392
  C      -5.476423     -1.813049      1.179875
  C      -5.789398     -0.433097      1.075190
  C      -3.838611      6.159061      5.556666
  C      -3.761744      7.237978      4.465833
  C      -4.260024      6.758285      3.105448
  C      -5.754494      6.597044      2.986454
  N      -6.512478      6.873925      4.042469
  C      -7.856247      6.725787      3.909120
  N      -8.527818      6.349775      2.839259
  C      -7.775327      6.082185      1.727169
  C      -8.426997      5.700276      0.528929
  C      -7.690392      5.453549     -0.613722
  C      -6.281660      5.565875     -0.599032
  C      -5.620204      5.920561      0.562234
  C      -6.349366      6.188594      1.747315
  C      -5.976313      2.866949      7.642377
  C      -6.709308      4.207658      7.793794
  C      -8.227214      4.048230      7.825981
  C      -8.850744      3.663401      6.502664
  N      -8.080725      3.645707      5.421583
  C      -8.650494      3.288639      4.236188
  N      -9.907402      2.956033      4.021630
  C     -10.730781      2.986608      5.114610
  C     -12.099789      2.658462      4.954483
  C     -12.951983      2.683880      6.040057
  C     -12.471813      3.034935      7.323384
  C     -11.140934      3.355329      7.507946
  C     -10.242756      3.339360      6.411472
  H      -3.741806      1.289356      3.035031
  H      -4.865374      1.992120      4.234310
  H      -4.944143     -0.387569      5.308003
  H      -4.242736     -0.967131      3.779946
  H      -6.698556     -1.118448      3.623042
  H      -6.883209      0.565415      4.159542
  H      -6.635706      3.230269      0.616593
  H      -5.263570     -0.049786     -2.298484
  H      -4.706777     -2.479426     -2.073628
  H      -4.856299     -3.592859      0.149743
  H      -5.543065     -2.311843      2.147926
  H      -4.887298      5.834187      5.645896
  H      -3.567286      6.614834      6.530786
  H      -2.714615      7.567799      4.363195
  H      -4.346723      8.112379      4.790315
  H      -3.930426      7.453026      2.313697
  H      -3.777692      5.793115      2.865490
  H      -8.443470      6.948609      4.806352
  H      -9.514205      5.610729      0.543603
  H      -8.196009      5.156571     -1.534281
  H      -5.714796      5.353555     -1.506887
  H      -4.531863      5.991107      0.568879
  H      -6.160552      2.241681      8.542714
  H      -6.420408      2.341055      6.781922
  H      -6.369392      4.721144      8.707396
  H      -6.434995      4.840707      6.937067
  H      -8.515741      3.297854      8.583664
  H      -8.703447      4.987409      8.158714
  H      -7.968596      3.261818      3.380007
  H     -12.447481      2.392887      3.954838
  H     -14.006653      2.432803      5.911300
  H     -13.159747      3.051894      8.170653
  H     -10.779219      3.626567      8.500734
95
Coordinates from ORCA-job orca E -6148.295811133628
  N      -3.101791      1.447849      5.055798
  Mo     -3.747025      3.151638      5.669474
  N      -4.549362      2.978697      7.438435
  C      -3.633200      2.970038      8.576050
  C      -2.311726      2.373538      8.107645
  N      -1.936198      2.973017      6.783670
  C      -0.991523      2.089416      6.010258
  C      -1.721434      1.056609      5.112476
  C      -1.356323      4.343371      6.947161
  C      -1.629751      5.133486      5.670828
  N      -3.037385      4.987819      5.315885
  H      -1.251481      1.061570      4.109154
  H      -1.591057      0.031241      5.513179
  H      -0.387694      2.757569      5.384015
  H      -0.308871      1.589979      6.719595
  H      -1.348422      6.190980      5.827228
  H      -0.982462      4.763854      4.855263
  H      -1.879910      4.820555      7.787020
  H      -0.283317      4.268490      7.202463
  H      -4.020682      2.345433      9.404023
  H      -3.474418      3.981921      9.005198
  H      -2.447370      1.297533      7.930209
  H      -1.493085      2.515300      8.836655
  C      -4.108782      1.171966      4.084093
  C      -4.859669     -0.160865      4.226317
  C      -6.254064     -0.117652      3.575125
  C      -6.201878      0.390288      2.161404
  N      -6.510989      1.676350      1.975480
  C      -6.407817      2.165184      0.715499
  N      -6.031462      1.522947     -0.376462
  C      -5.727899      0.195872     -0.216998
  C      -5.332865     -0.563564     -1.343165
  C      -5.023568     -1.905776     -1.206711
  C      -5.102853     -2.534452      0.054926
  C      -5.486420     -1.815711      1.173335
  C      -5.803548     -0.437398      1.066317
  C      -3.874393      6.157815      5.549654
  C      -3.783588      7.227555      4.450190
  C      -4.271024      6.737189      3.090167
  C      -5.765672      6.595444      2.956243
  N      -6.528718      6.877300      4.005211
  C      -7.874363      6.745975      3.860490
  N      -8.540466      6.383734      2.783509
  C      -7.781431      6.107634      1.677978
  C      -8.428078      5.736865      0.473444
  C      -7.684139      5.477758     -0.661138
  C      -6.273495      5.566999     -0.632106
  C      -5.617827      5.912401      0.534649
  C      -6.354451      6.193334      1.711910
  C      -5.968473      2.856419      7.717394
  C      -6.692056      4.202995      7.859827
  C      -8.210926      4.050311      7.866557
  C      -8.813185      3.674841      6.530566
  N      -8.029742      3.675312      5.456885
  C      -8.583602      3.322310      4.262543
  N      -9.835874      2.983166      4.030789
  C     -10.672808      2.996644      5.114074
  C     -12.037181      2.661097      4.934996
  C     -12.902375      2.668460      6.011873
  C     -12.438785      3.008293      7.303544
  C     -11.111551      3.335869      7.506555
  C     -10.200741      3.338830      6.419900
  H      -3.779536      1.319581      3.034569
  H      -4.890501      1.994977      4.259435
  H      -4.955404     -0.392167      5.298687
  H      -4.251184     -0.957843      3.768046
  H      -6.707284     -1.119869      3.613817
  H      -6.898855      0.563309      4.150017
  H      -6.667223      3.220532      0.599376
  H      -5.284846     -0.059491     -2.309846
  H      -4.720529     -2.486350     -2.080179
  H      -4.862969     -3.595466      0.145846
  H      -5.549597     -2.313671      2.142062
  H      -4.924227      5.832498      5.626740
  H      -3.621220      6.625911      6.523192
  H      -2.734765      7.554545      4.355994
  H      -4.368766      8.107256      4.759743
  H      -3.923792      7.415365      2.291693
  H      -3.799797      5.761813      2.868981
  H      -8.464687      6.971789      4.754799
  H      -9.516594      5.664524      0.478293
  H      -8.184524      5.188571     -1.587019
  H      -5.701672      5.344426     -1.534402
  H      -4.528654      5.966091      0.551732
  H      -6.146695      2.241787      8.625811
  H      -6.423258      2.321044      6.867749
  H      -6.361698      4.714732      8.777807
  H      -6.401786      4.834082      7.006997
  H      -8.512729      3.294484      8.613905
  H      -8.691430      4.986943      8.200318
  H      -7.892602      3.304992      3.413445
  H     -12.372183      2.403993      3.928821
  H     -13.953772      2.411578      5.868583
  H     -13.136158      3.011228      8.143319
  H     -10.763232      3.598681      8.506358
95
Coordinates from ORCA-job orca E -6148.297449011069
  N      -3.121904      1.478254      5.063252
  Mo     -3.766888      3.152056      5.749611
  N      -4.537779      2.953167      7.526996
  C      -3.603032      2.931622      8.645352
  C      -2.284595      2.357986      8.140958
  N      -1.937709      2.983692      6.823469
  C      -1.004310      2.120691      6.014253
  C      -1.740390      1.088986      5.115792
  C      -1.373864      4.360579      6.988241
  C      -1.668193      5.149837      5.711397
  N      -3.075140      4.992555      5.352571
  H      -1.272808      1.102321      4.111221
  H      -1.605278      0.061194      5.508846
  H      -0.424408      2.803745      5.381264
  H      -0.298256      1.621807      6.700203
  H      -1.395259      6.209416      5.868121
  H      -1.015247      4.787926      4.895827
  H      -1.894582      4.826633      7.836178
  H      -0.296539      4.300485      7.229879
  H      -3.970000      2.288982      9.468420
  H      -3.445783      3.937072      9.088800
  H      -2.409733      1.283111      7.949385
  H      -1.456059      2.497858      8.858621
  C      -4.129059      1.203917      4.093134
  C      -4.858348     -0.140688      4.210596
  C      -6.258016     -0.107110      3.563713
  C      -6.238140      0.400027      2.149022
  N      -6.565830      1.680484      1.962961
  C      -6.497319      2.165174      0.698516
  N      -6.133555      1.522389     -0.399210
  C      -5.808381      0.201331     -0.239186
  C      -5.424633     -0.558442     -1.370445
  C      -5.095685     -1.895659     -1.234350
  C      -5.141184     -2.519607      0.031570
  C      -5.511836     -1.800033      1.154142
  C      -5.850956     -0.427500      1.047566
  C      -3.914863      6.167826      5.543271
  C      -3.812734      7.216045      4.422933
  C      -4.291915      6.704176      3.067522
  C      -5.786620      6.578017      2.916157
  N      -6.559292      6.880400      3.950443
  C      -7.906460      6.764143      3.789100
  N      -8.562540      6.402073      2.706335
  C      -7.791824      6.101634      1.615571
  C      -8.427205      5.726083      0.406078
  C      -7.671167      5.437255     -0.712541
  C      -6.258967      5.501377     -0.663102
  C      -5.614910      5.852692      0.507936
  C      -6.364357      6.165215      1.669692
  C      -5.955856      2.833553      7.811945
  C      -6.672366      4.181739      7.972425
  C      -8.190021      4.031662      7.949465
  C      -8.749589      3.683649      6.588731
  N      -7.928778      3.713484      5.541332
  C      -8.441555      3.388973      4.322206
  N      -9.685499      3.050868      4.039954
  C     -10.558440      3.031113      5.095699
  C     -11.913659      2.692615      4.863886
  C     -12.814906      2.667109      5.912654
  C     -12.395970      2.976319      7.226091
  C     -11.077049      3.306867      7.481031
  C     -10.130548      3.342714      6.425308
  H      -3.811774      1.380139      3.043881
  H      -4.915984      2.008969      4.297939
  H      -4.951761     -0.390956      5.279310
  H      -4.240133     -0.923098      3.740814
  H      -6.698020     -1.115230      3.603384
  H      -6.904766      0.564700      4.148118
  H      -6.774331      3.215828      0.584457
  H      -5.402320     -0.057958     -2.340019
  H      -4.801835     -2.476527     -2.110979
  H      -4.884247     -3.576748      0.122470
  H      -5.547363     -2.294103      2.126451
  H      -4.964305      5.844468      5.615185
  H      -3.674911      6.659729      6.508901
  H      -2.761719      7.537745      4.330959
  H      -4.397378      8.104205      4.710252
  H      -3.927922      7.361259      2.259365
  H      -3.831585      5.717739      2.870854
  H      -8.504754      7.006103      4.673582
  H      -9.516905      5.672583      0.395902
  H      -8.162275      5.143590     -1.642101
  H      -5.677998      5.254622     -1.553291
  H      -4.525297      5.887841      0.540605
  H      -6.130952      2.207834      8.711952
  H      -6.417726      2.308966      6.958833
  H      -6.351764      4.675714      8.903547
  H      -6.368105      4.826139      7.134752
  H      -8.508952      3.259718      8.673227
  H      -8.677869      4.961392      8.292190
  H      -7.724776      3.397930      3.493658
  H     -12.214271      2.459460      3.841005
  H     -13.859386      2.407775      5.728184
  H     -13.120232      2.953737      8.042715
  H     -10.764007      3.546094      8.498325
95
Coordinates from ORCA-job orca E -6148.298817602853
  N      -3.137835      1.496359      5.070847
  Mo     -3.786110      3.145777      5.812092
  N      -4.527006      2.924514      7.595044
  C      -3.574145      2.899343      8.696802
  C      -2.255229      2.350046      8.164170
  N      -1.934909      2.992912      6.850456
  C      -1.014258      2.148321      6.010111
  C      -1.755780      1.108816      5.124077
  C      -1.390130      4.376593      7.012422
  C      -1.711870      5.168856      5.743456
  N      -3.117035      4.994657      5.387255
  H      -1.289033      1.117442      4.118870
  H      -1.616605      0.083328      5.522379
  H      -0.464800      2.843386      5.363003
  H      -0.279965      1.656529      6.671386
  H      -1.451490      6.230599      5.907677
  H      -1.053203      4.823361      4.924093
  H      -1.904796      4.829523      7.871306
  H      -0.307884      4.332652      7.235816
  H      -3.920381      2.242625      9.517519
  H      -3.422169      3.901703      9.149177
  H      -2.365719      1.274539      7.966979
  H      -1.420070      2.496765      8.872898
  C      -4.144198      1.215517      4.101548
  C      -4.855161     -0.137689      4.205713
  C      -6.257864     -0.109618      3.560820
  C      -6.258126      0.395500      2.145744
  N      -6.593440      1.672487      1.959547
  C      -6.551142      2.153756      0.692100
  N      -6.201621      1.508504     -0.409122
  C      -5.865538      0.190926     -0.249509
  C      -5.495381     -0.570058     -1.385471
  C      -5.157275     -1.904465     -1.250297
  C      -5.178170     -2.524688      0.018510
  C      -5.534252     -1.803514      1.144650
  C      -5.883790     -0.434170      1.039594
  C      -3.960293      6.170981      5.542926
  C      -3.843697      7.205661      4.410505
  C      -4.314126      6.678989      3.057702
  C      -5.808659      6.572032      2.890466
  N      -6.587514      6.887406      3.914356
  C      -7.936066      6.790251      3.739202
  N      -8.584739      6.439158      2.649241
  C      -7.806473      6.122051      1.568564
  C      -8.434645      5.754267      0.352796
  C      -7.670457      5.443688     -0.753908
  C      -6.257505      5.478651     -0.686294
  C      -5.621099      5.824526      0.490022
  C      -6.378845      6.160023      1.640158
  C      -5.943480      2.809088      7.892673
  C      -6.651298      4.161704      8.056392
  C      -8.168484      4.019477      7.997777
  C      -8.691748      3.692375      6.617379
  N      -7.843953      3.742505      5.589136
  C      -8.327039      3.435032      4.354322
  N      -9.563818      3.097717      4.036986
  C     -10.462842      3.056440      5.070699
  C     -11.809922      2.716190      4.801481
  C     -12.736795      2.668471      5.829201
  C     -12.350077      2.956867      7.155880
  C     -11.037931      3.289320      7.447743
  C     -10.066229      3.347513      6.415516
  H      -3.836860      1.412119      3.052585
  H      -4.936553      2.006234      4.329012
  H      -4.948083     -0.398908      5.272097
  H      -4.231969     -0.912820      3.730598
  H      -6.690469     -1.121020      3.601531
  H      -6.905346      0.557657      4.150273
  H      -6.837986      3.201810      0.580292
  H      -5.491941     -0.072380     -2.356779
  H      -4.874457     -2.487007     -2.129639
  H      -4.912970     -3.579971      0.108379
  H      -5.549558     -2.295207      2.118884
  H      -5.009975      5.847214      5.602733
  H      -3.738520      6.680143      6.504547
  H      -2.790928      7.523823      4.324508
  H      -4.427918      8.099806      4.680246
  H      -3.933301      7.317303      2.242455
  H      -3.866885      5.682261      2.881686
  H      -8.538753      7.040707      4.618316
  H      -9.525070      5.722594      0.329930
  H      -8.154834      5.154779     -1.688590
  H      -5.670968      5.213890     -1.567746
  H      -4.531415      5.838545      0.535923
  H      -6.113151      2.183311      8.792647
  H      -6.413872      2.284369      7.043839
  H      -6.344218      4.643985      8.998085
  H      -6.327002      4.812082      7.231098
  H      -8.506317      3.236869      8.701655
  H      -8.661741      4.944845      8.344613
  H      -7.593347      3.456671      3.540398
  H     -12.085716      2.499006      3.768030
  H     -13.775422      2.407537      5.615601
  H     -13.093047      2.917182      7.955125
  H     -10.750702      3.512573      8.476322
95
Coordinates from ORCA-job orca E -6148.300011107595
  N      -3.161893      1.518065      5.073445
  Mo     -3.808945      3.140724      5.870630
  N      -4.516899      2.895715      7.663931
  C      -3.544827      2.862882      8.746423
  C      -2.230425      2.335838      8.179243
  N      -1.942591      2.997795      6.868019
  C      -1.031847      2.170832      5.999498
  C      -1.780839      1.126308      5.125058
  C      -1.411664      4.386880      7.031114
  C      -1.757995      5.185243      5.771102
  N      -3.163065      4.995793      5.421706
  H      -1.317505      1.129381      4.118185
  H      -1.641148      0.102628      5.527904
  H      -0.508766      2.876324      5.341917
  H      -0.274982      1.685468      6.639523
  H      -1.508987      6.248386      5.943590
  H      -1.099363      4.856200      4.944350
  H      -1.919867      4.826738      7.900620
  H      -0.325584      4.355788      7.237577
  H      -3.869146      2.190243      9.563144
  H      -3.393240      3.859712      9.211098
  H      -2.332513      1.261328      7.972413
  H      -1.383511      2.484221      8.873575
  C      -4.167366      1.236675      4.103418
  C      -4.861528     -0.125402      4.186269
  C      -6.262454     -0.102330      3.535458
  C      -6.270678      0.403773      2.121006
  N      -6.611513      1.679076      1.934743
  C      -6.584448      2.158190      0.666235
  N      -6.240748      1.512069     -0.436928
  C      -5.894371      0.197471     -0.277168
  C      -5.526557     -0.563213     -1.414728
  C      -5.178509     -1.894898     -1.279588
  C      -5.185951     -2.513013     -0.009636
  C      -5.539147     -1.792005      1.117607
  C      -5.899429     -0.425705      1.012793
  C      -4.013612      6.169296      5.548849
  C      -3.887371      7.191172      4.405218
  C      -4.346033      6.644927      3.055643
  C      -5.839568      6.546121      2.871909
  N      -6.628068      6.872199      3.884844
  C      -7.975679      6.781641      3.695285
  N      -8.613591      6.428828      2.599927
  C      -7.825098      6.098641      1.530567
  C      -8.441844      5.725927      0.310368
  C      -7.667174      5.399058     -0.784175
  C      -6.254823      5.422547     -0.699786
  C      -5.629574      5.774455      0.480574
  C      -6.398188      6.127201      1.618591
  C      -5.930552      2.790008      7.975704
  C      -6.626065      4.149370      8.141107
  C      -8.143006      4.022512      8.052909
  C      -8.635923      3.706713      6.658539
  N      -7.761761      3.753379      5.650484
  C      -8.216888      3.451882      4.404543
  N      -9.448715      3.125490      4.055800
  C     -10.373663      3.088365      5.066891
  C     -11.715712      2.758663      4.764003
  C     -12.668040      2.713404      5.769260
  C     -12.311364      2.993951      7.105360
  C     -11.004040      3.316477      7.430443
  C     -10.006954      3.372037      6.422445
  H      -3.866840      1.453776      3.056332
  H      -4.961873      2.014603      4.353735
  H      -4.959657     -0.401676      5.248516
  H      -4.229032     -0.889256      3.705255
  H      -6.688133     -1.116931      3.571896
  H      -6.914391      0.559247      4.126767
  H      -6.879971      3.203834      0.555254
  H      -5.533288     -0.066901     -2.386790
  H      -4.897625     -2.477266     -2.159823
  H      -4.912109     -3.566179      0.080213
  H      -5.543016     -2.281857      2.093012
  H      -5.062313      5.841167      5.597197
  H      -3.808621      6.693067      6.506709
  H      -2.834223      7.509580      4.324302
  H      -4.475109      8.087982      4.657980
  H      -3.950629      7.265260      2.233718
  H      -3.905677      5.641011      2.902670
  H      -8.586443      7.040711      4.566444
  H      -9.532227      5.702915      0.274958
  H      -8.142552      5.105667     -1.722165
  H      -5.660276      5.143943     -1.571632
  H      -4.540342      5.780322      0.539239
  H      -6.096982      2.166594      8.877531
  H      -6.412836      2.266981      7.132513
  H      -6.328331      4.621293      9.090961
  H      -6.282150      4.802074      7.325802
  H      -8.502439      3.238840      8.744852
  H      -8.634387      4.950743      8.394665
  H      -7.465325      3.467088      3.606230
  H     -11.967978      2.547041      3.723328
  H     -13.702935      2.460318      5.529363
  H     -13.073468      2.956304      7.886635
  H     -10.740625      3.533781      8.466718
95
Coordinates from ORCA-job orca E -6148.301157509894
  N      -3.183808      1.532254      5.072738
  Mo     -3.830812      3.133960      5.912674
  N      -4.512500      2.868973      7.710822
  C      -3.524525      2.832525      8.778410
  C      -2.212347      2.324472      8.186745
  N      -1.947978      3.000013      6.878787
  C      -1.048981      2.188272      5.985776
  C      -1.804134      1.136112      5.126899
  C      -1.430223      4.393079      7.042762
  C      -1.799574      5.199162      5.794784
  N      -3.203520      4.996315      5.451652
  H      -1.341067      1.127746      4.119852
  H      -1.665658      0.116092      5.539784
  H      -0.553856      2.902542      5.315958
  H      -0.268742      1.711133      6.603836
  H      -1.561522      6.262890      5.979492
  H      -1.139187      4.889349      4.961117
  H      -1.930976      4.820253      7.923029
  H      -0.340799      4.372987      7.232967
  H      -3.831260      2.148351      9.592279
  H      -3.374748      3.825943      9.251308
  H      -2.304843      1.250161      7.974328
  H      -1.358856      2.477275      8.872223
  C      -4.187084      1.247661      4.100744
  C      -4.868660     -0.120194      4.170738
  C      -6.265493     -0.100988      3.509572
  C      -6.270946      0.399069      2.093273
  N      -6.609759      1.672841      1.899506
  C      -6.586665      2.144975      0.628061
  N      -6.244600      1.492103     -0.471586
  C      -5.896484      0.179309     -0.304475
  C      -5.528710     -0.587158     -1.438701
  C      -5.179504     -1.917394     -1.296293
  C      -5.185000     -2.528557     -0.022726
  C      -5.537856     -1.801711      1.100721
  C      -5.899896     -0.436811      0.988823
  C      -4.057365      6.168464      5.555432
  C      -3.918526      7.182572      4.405854
  C      -4.368470      6.625798      3.057695
  C      -5.861234      6.538489      2.862060
  N      -6.654525      6.867721      3.869521
  C      -8.002096      6.786584      3.670645
  N      -8.633877      6.442965      2.569429
  C      -7.840088      6.107915      1.505362
  C      -8.451041      5.742960      0.279897
  C      -7.670879      5.408094     -0.808164
  C      -6.258960      5.416447     -0.711970
  C      -5.639505      5.762393      0.472975
  C      -6.413695      6.123529      1.604686
  C      -5.923664      2.775146      8.038714
  C      -6.605451      4.142854      8.195952
  C      -8.121985      4.031630      8.084155
  C      -8.595265      3.715051      6.682972
  N      -7.706033      3.751214      5.685393
  C      -8.148008      3.445900      4.436023
  N      -9.378260      3.127750      4.072647
  C     -10.317396      3.101551      5.071093
  C     -11.657248      2.780463      4.752265
  C     -12.623357      2.745227      5.746056
  C     -12.281434      3.027905      7.084754
  C     -10.975497      3.342796      7.425564
  C      -9.964840      3.387941      6.430322
  H      -3.890931      1.479828      3.055594
  H      -4.984047      2.016150      4.367001
  H      -4.974928     -0.403499      5.230464
  H      -4.229330     -0.879342      3.691269
  H      -6.688557     -1.116808      3.545730
  H      -6.922090      0.560747      4.095795
  H      -6.883899      3.189545      0.512257
  H      -5.536862     -0.096022     -2.413418
  H      -4.898786     -2.504700     -2.173433
  H      -4.909538     -3.580891      0.072593
  H      -5.539432     -2.286501      2.078789
  H      -5.105922      5.838387      5.591037
  H      -3.868486      6.702130      6.511544
  H      -2.864457      7.499628      4.331359
  H      -4.506972      8.082278      4.646437
  H      -3.960655      7.232590      2.231800
  H      -3.936854      5.615599      2.920213
  H      -8.616348      7.046398      4.539243
  H      -9.541359      5.731440      0.236128
  H      -8.141107      5.119880     -1.750436
  H      -5.660639      5.130940     -1.579097
  H      -4.550691      5.757458      0.540170
  H      -6.085256      2.161094      8.947306
  H      -6.418166      2.246612      7.205872
  H      -6.315171      4.612289      9.149254
  H      -6.243116      4.790865      7.384902
  H      -8.499218      3.252681      8.772156
  H      -8.609797      4.964976      8.416974
  H      -7.389014      3.449506      3.644419
  H     -11.897996      2.566826      3.709201
  H     -13.656886      2.498451      5.493687
  H     -13.053463      2.998472      7.856760
  H     -10.724167      3.562151      8.464453
95
Coordinates from ORCA-job orca E -6148.302331938291
  N      -3.207617      1.550852      5.073341
  Mo     -3.854278      3.126975      5.961117
  N      -4.501018      2.837012      7.766591
  C      -3.493370      2.797199      8.814754
  C      -2.185904      2.312463      8.191368
  N      -1.953059      3.005138      6.887134
  C      -1.066627      2.212741      5.965919
  C      -1.828484      1.152189      5.124356
  C      -1.450804      4.403014      7.053630
  C      -1.849568      5.218428      5.820693
  N      -3.253099      4.998085      5.489594
  H      -1.369953      1.134185      4.115341
  H      -1.688066      0.135861      5.545812
  H      -0.604063      2.937495      5.284021
  H      -0.260762      1.745802      6.558520
  H      -1.624946      6.282656      6.019182
  H      -1.191142      4.931848      4.976445
  H      -1.941649      4.814489      7.946986
  H      -0.357820      4.396564      7.223641
  H      -3.777289      2.099104      9.624980
  H      -3.345003      3.786228      9.297535
  H      -2.268422      1.239040      7.970599
  H      -1.322825      2.469449      8.863846
  C      -4.211574      1.263257      4.101916
  C      -4.876624     -0.112178      4.158183
  C      -6.272113     -0.099261      3.492745
  C      -6.283020      0.399653      2.076446
  N      -6.627278      1.671334      1.881900
  C      -6.617499      2.140743      0.609142
  N      -6.280307      1.486494     -0.491318
  C      -5.922899      0.176630     -0.323485
  C      -5.557785     -0.589962     -1.458939
  C      -5.200047     -1.917603     -1.315921
  C      -5.193577     -2.526197     -0.040978
  C      -5.543489     -1.799125      1.083161
  C      -5.914511     -0.436920      0.970961
  C      -4.115519      6.164115      5.572493
  C      -3.969755      7.171895      4.418044
  C      -4.405107      6.600075      3.071251
  C      -5.895917      6.514103      2.860400
  N      -6.698599      6.845688      3.859194
  C      -8.044695      6.764809      3.647753
  N      -8.665454      6.420987      2.540747
  C      -7.861742      6.082690      1.485162
  C      -8.461327      5.716124      0.254605
  C      -7.670967      5.375183     -0.824115
  C      -6.260048      5.379480     -0.713169
  C      -5.651615      5.728227      0.476524
  C      -6.436369      6.095882      1.598966
  C      -5.908431      2.755169      8.112356
  C      -6.575716      4.131471      8.261221
  C      -8.090247      4.038461      8.115390
  C      -8.532333      3.726222      6.702714
  N      -7.618837      3.751188      5.724552
  C      -8.036899      3.449217      4.466462
  N      -9.262973      3.145832      4.075664
  C     -10.225294      3.131392      5.052147
  C     -11.560924      2.826597      4.703273
  C     -12.550114      2.803032      5.675572
  C     -12.234724      3.081852      7.020909
  C     -10.932664      3.381559      7.391243
  C      -9.899024      3.414393      6.419170
  H      -3.923383      1.512469      3.058519
  H      -5.010497      2.019952      4.387734
  H      -4.986145     -0.406023      5.214799
  H      -4.229674     -0.862804      3.675566
  H      -6.689150     -1.117675      3.527165
  H      -6.932871      0.558451      4.078920
  H      -6.922376      3.183039      0.493592
  H      -5.575186     -0.100654     -2.434448
  H      -4.921489     -2.505338     -2.193526
  H      -4.910854     -3.576599      0.054621
  H      -5.534959     -2.282010      2.062194
  H      -5.161948      5.826609      5.595176
  H      -3.944343      6.707083      6.527028
  H      -2.917035      7.494963      4.350662
  H      -4.565499      8.069989      4.646179
  H      -3.986352      7.194592      2.242060
  H      -3.976176      5.586207      2.951794
  H      -8.666530      7.025184      4.510772
  H      -9.551198      5.707866      0.199972
  H      -8.131932      5.085374     -1.770496
  H      -5.653967      5.088518     -1.573116
  H      -4.563518      5.720693      0.554692
  H      -6.065172      2.150640      9.027714
  H      -6.415783      2.221959      7.290322
  H      -6.297878      4.595536      9.220730
  H      -6.189678      4.776304      7.458671
  H      -8.491719      3.263377      8.794059
  H      -8.574879      4.977152      8.437521
  H      -7.263495      3.442626      3.688501
  H     -11.780891      2.615728      3.655049
  H     -13.580552      2.568598      5.399832
  H     -13.023984      3.061953      7.775693
  H     -10.702513      3.598435      8.435539
95
Coordinates from ORCA-job orca E -6148.303475866022
  N      -3.229417      1.569486      5.071844
  Mo     -3.874908      3.122047      6.002022
  N      -4.490794      2.808241      7.812623
  C      -3.466086      2.766587      8.843598
  C      -2.163291      2.302586      8.192903
  N      -1.957507      3.010069      6.892790
  C      -1.083561      2.235026      5.946708
  C      -1.851279      1.167147      5.121251
  C      -1.467897      4.411352      7.062804
  C      -1.892966      5.236679      5.845597
  N      -3.295951      5.001509      5.525870
  H      -1.395882      1.138877      4.111012
  H      -1.710468      0.154491      5.551589
  H      -0.650867      2.968811      5.254701
  H      -0.255207      1.777592      6.515477
  H      -1.679966      6.300559      6.058760
  H      -1.237209      4.972849      4.991137
  H      -1.948494      4.808280      7.968340
  H      -0.372092      4.416174      7.214231
  H      -3.729665      2.056595      9.650294
  H      -3.319070      3.751875      9.334725
  H      -2.237030      1.230092      7.964649
  H      -1.292306      2.463419      8.854308
  C      -4.233250      1.280080      4.099921
  C      -4.884490     -0.101413      4.143943
  C      -6.277317     -0.094155      3.471833
  C      -6.288592      0.398231      2.053472
  N      -6.633293      1.668231      1.852190
  C      -6.631238      2.129837      0.576392
  N      -6.298201      1.468724     -0.521252
  C      -5.936946      0.161091     -0.346625
  C      -5.574418     -0.611549     -1.479194
  C      -5.213661     -1.937378     -1.329368
  C      -5.201036     -2.538285     -0.050680
  C      -5.548176     -1.805163      1.070288
  C      -5.922515     -0.444661      0.951381
  C      -4.164922      6.162479      5.592246
  C      -4.013182      7.165904      4.434534
  C      -4.437090      6.582331      3.089031
  C      -5.926395      6.497779      2.866895
  N      -6.735613      6.827849      3.860577
  C      -8.080658      6.746593      3.640642
  N      -8.693521      6.405427      2.528874
  C      -7.883004      6.068130      1.478128
  C      -8.474773      5.704081      0.243076
  C      -7.677441      5.361803     -0.830016
  C      -6.267296      5.362699     -0.708764
  C      -5.666425      5.710281      0.484982
  C      -6.458400      6.079783      1.601854
  C      -5.894582      2.737904      8.175257
  C      -6.549215      4.122411      8.308583
  C      -8.061219      4.045863      8.132771
  C      -8.477829      3.729175      6.713012
  N      -7.544896      3.733655      5.750710
  C      -7.945552      3.428316      4.487966
  N      -9.169329      3.141120      4.077103
  C     -10.149891      3.147579      5.035440
  C     -11.483084      2.861242      4.664223
  C     -12.490521      2.859005      5.618926
  C     -12.194942      3.141615      6.967357
  C     -10.894910      3.424078      7.359642
  C      -9.843119      3.434776      6.406499
  H      -3.951062      1.544137      3.058585
  H      -5.033665      2.026917      4.402194
  H      -4.999020     -0.403227      5.197863
  H      -4.230428     -0.845536      3.660822
  H      -6.690891     -1.114021      3.507559
  H      -6.941941      0.563278      4.054038
  H      -6.939574      3.170526      0.456107
  H      -5.596591     -0.127970     -2.457485
  H      -4.937224     -2.530135     -2.204359
  H      -4.915506     -3.587494      0.050102
  H      -5.534276     -2.282262      2.052185
  H      -5.209413      5.818969      5.604054
  H      -4.008340      6.712223      6.545728
  H      -2.961660      7.493996      4.372873
  H      -4.614698      8.062513      4.652979
  H      -4.009649      7.166686      2.257161
  H      -4.010939      5.565477      2.984107
  H      -8.707622      7.004464      4.500780
  H      -9.564300      5.698380      0.180969
  H      -8.131908      5.073479     -1.780046
  H      -5.655987      5.070061     -1.564512
  H      -4.578853      5.700851      0.570614
  H      -6.045903      2.146993      9.099967
  H      -6.413491      2.195679      7.366390
  H      -6.283019      4.587483      9.270813
  H      -6.141577      4.759362      7.510448
  H      -8.484747      3.279208      8.807702
  H      -8.541421      4.991796      8.439963
  H      -7.161561      3.404447      3.720653
  H     -11.687483      2.647235      3.613441
  H     -13.519305      2.638667      5.325775
  H     -12.997752      3.138888      7.708101
  H     -10.680750      3.644638      8.406584
95
Coordinates from ORCA-job orca E -6148.304671566436
  N      -3.249602      1.588756      5.070107
  Mo     -3.896108      3.114538      6.043977
  N      -4.478267      2.773797      7.859321
  C      -3.435718      2.732042      8.871714
  C      -2.138009      2.292830      8.192383
  N      -1.962339      3.016994      6.897664
  C      -1.100158      2.262672      5.925806
  C      -1.871292      1.186240      5.116173
  C      -1.488765      4.422540      7.072943
  C      -1.942952      5.257231      5.872790
  N      -3.344762      5.003808      5.564993
  H      -1.419935      1.149764      4.104347
  H      -1.727035      0.177350      5.554379
  H      -0.700260      3.006886      5.225058
  H      -0.248490      1.816978      6.469187
  H      -1.743931      6.320733      6.101371
  H      -1.290509      5.018554      5.007694
  H      -1.959180      4.802857      7.990972
  H      -0.390570      4.441503      7.205323
  H      -3.676391      2.009128      9.674021
  H      -3.291599      3.713368      9.371891
  H      -2.200827      1.221624      7.955039
  H      -1.259069      2.458838      8.841989
  C      -4.253575      1.296192      4.098376
  C      -4.887758     -0.092632      4.129813
  C      -6.279162     -0.093324      3.453893
  C      -6.294572      0.396292      2.034880
  N      -6.642467      1.664581      1.831089
  C      -6.651695      2.121569      0.553504
  N      -6.323927      1.457077     -0.543782
  C      -5.955786      0.151972     -0.366604
  C      -5.596564     -0.623066     -1.498979
  C      -5.229644     -1.946710     -1.346563
  C      -5.206940     -2.543157     -0.065774
  C      -5.550597     -1.807589      1.054605
  C      -5.931410     -0.449276      0.933293
  C      -4.223684      6.156903      5.613947
  C      -4.066999      7.156814      4.453611
  C      -4.474215      6.560594      3.108397
  C      -5.960977      6.473800      2.870699
  N      -6.780278      6.801037      3.856719
  C      -8.123329      6.716199      3.624448
  N      -8.724295      6.375479      2.506481
  C      -7.903254      6.040943      1.463027
  C      -8.482782      5.677819      0.221928
  C      -7.674680      5.336083     -0.843203
  C      -6.265748      5.336936     -0.707640
  C      -5.676695      5.684919      0.491763
  C      -6.479890      6.054525      1.600700
  C      -5.877712      2.713567      8.240121
  C      -6.519999      4.105723      8.360039
  C      -8.028657      4.046627      8.154440
  C      -8.420256      3.729979      6.727320
  N      -7.468045      3.712036      5.781840
  C      -7.852285      3.409486      4.513411
  N      -9.074343      3.146268      4.080898
  C     -10.072757      3.175463      5.020278
  C     -11.404018      2.915842      4.624969
  C     -12.429470      2.937342      5.561068
  C     -12.152940      3.217945      6.913395
  C     -10.854453      3.474984      7.329347
  C      -9.784721      3.460821      6.396160
  H      -3.979116      1.576276      3.059243
  H      -5.056468      2.030769      4.417968
  H      -5.004359     -0.404061      5.180801
  H      -4.225763     -0.827909      3.643913
  H      -6.686429     -1.115818      3.489172
  H      -6.948363      0.560456      4.035014
  H      -6.965891      3.160249      0.431822
  H      -5.626511     -0.142759     -2.478708
  H      -4.955839     -2.541625     -2.221016
  H      -4.916141     -3.590793      0.036885
  H      -5.528238     -2.281310      2.038076
  H      -5.264944      5.804080      5.613319
  H      -4.084546      6.713449      6.566514
  H      -3.017771      7.493559      4.399931
  H      -4.677729      8.049707      4.661308
  H      -4.037042      7.135962      2.275429
  H      -4.048242      5.541973      3.019163
  H      -8.758522      6.970605      4.479630
  H      -9.571696      5.672012      0.149241
  H      -8.119259      5.048080     -1.798060
  H      -5.646103      5.044058     -1.557380
  H      -4.589946      5.676205      0.587942
  H      -6.022031      2.135490      9.173604
  H      -6.408596      2.163105      7.444622
  H      -6.265326      4.570450      9.325477
  H      -6.091066      4.735921      7.567754
  H      -8.474697      3.287343      8.823285
  H      -8.503174      4.999373      8.449149
  H      -7.058047      3.367472      3.757063
  H     -11.593382      2.703224      3.571046
  H     -13.456978      2.737557      5.249153
  H     -12.969117      3.234408      7.639333
  H     -10.655734      3.694919      8.379486
95
Coordinates from ORCA-job orca E -6148.305858061221
  N      -3.270914      1.608574      5.069121
  Mo     -3.917309      3.106909      6.085877
  N      -4.465623      2.739979      7.905024
  C      -3.405592      2.698696      8.898623
  C      -2.113756      2.284298      8.191268
  N      -1.968095      3.024525      6.902512
  C      -1.118433      2.290785      5.905579
  C      -1.892508      1.205630      5.111924
  C      -1.510476      4.434053      7.083191
  C      -1.993546      5.277299      5.900395
  N      -3.393792      5.005578      5.604267
  H      -1.445065      1.160852      4.098654
  H      -1.744779      0.200598      5.558001
  H      -0.751685      3.044731      5.196947
  H      -0.244394      1.857511      6.423179
  H      -1.808122      6.339946      6.144406
  H      -1.345016      5.063708      5.025101
  H      -1.970335      4.797941      8.013250
  H      -0.410438      4.467409      7.196741
  H      -3.623465      1.963454      9.696171
  H      -3.264069      3.676047      9.407583
  H      -2.165867      1.214583      7.944821
  H      -1.227173      2.455708      8.829089
  C      -4.274881      1.313091      4.097397
  C      -4.892203     -0.082585      4.116044
  C      -6.282064     -0.090365      3.436194
  C      -6.301291      0.397181      2.016817
  N      -6.651857      1.664060      1.811360
  C      -6.672105      2.117194      0.532372
  N      -6.349819      1.449852     -0.564911
  C      -5.975353      0.147028     -0.386072
  C      -5.619712     -0.629836     -1.518717
  C      -5.247193     -1.951520     -1.364599
  C      -5.214722     -2.544307     -0.082168
  C      -5.554641     -1.806867      1.038063
  C      -5.941348     -0.450536      0.915252
  C      -4.282931      6.150119      5.635704
  C      -4.121465      7.146811      4.473078
  C      -4.511144      6.537459      3.128463
  C      -5.995006      6.447137      2.874773
  N      -6.824867      6.771165      3.852671
  C      -8.165633      6.681549      3.607689
  N      -8.753977      6.340439      2.483576
  C      -7.921913      6.009055      1.447872
  C      -8.488462      5.646011      0.200785
  C      -7.669061      5.305178     -0.855920
  C      -6.261533      5.307192     -0.705620
  C      -5.685017      5.656420      0.499396
  C      -6.500004      6.025792      1.599914
  C      -5.860409      2.690252      8.304002
  C      -6.490445      4.089824      8.409498
  C      -7.994966      4.047676      8.174137
  C      -8.362017      3.729820      6.740451
  N      -7.391857      3.688304      5.811594
  C      -7.760596      3.387852      4.538050
  N      -8.980441      3.148834      4.084787
  C      -9.995232      3.201803      5.005448
  C     -11.323913      2.969116      4.586968
  C     -12.365931      3.015412      5.504707
  C     -12.107555      3.294825      6.860304
  C     -10.811203      3.526226      7.299031
  C      -9.725029      3.486130      6.385521
  H      -4.008251      1.609001      3.060691
  H      -5.079821      2.035305      4.434026
  H      -5.010945     -0.403897      5.163909
  H      -4.222498     -0.809011      3.627357
  H      -6.683440     -1.115295      3.470563
  H      -6.955600      0.559764      4.016448
  H      -6.991713      3.154047      0.409986
  H      -5.657183     -0.152185     -2.499521
  H      -4.976225     -2.548149     -2.238867
  H      -4.919096     -3.590534      0.021662
  H      -5.524068     -2.277820      2.022737
  H      -5.320476      5.787311      5.622242
  H      -4.162004      6.713167      6.587265
  H      -3.074920      7.492982      4.427485
  H      -4.741884      8.035457      4.669840
  H      -4.064271      7.103946      2.294662
  H      -4.084881      5.517485      3.055288
  H      -8.809489      6.932208      4.457550
  H      -9.576630      5.639171      0.117194
  H      -8.103166      5.016842     -1.815548
  H      -5.633106      5.014336     -1.548985
  H      -4.599220      5.649344      0.606459
  H      -5.997456      2.125607      9.246345
  H      -6.403233      2.131363      7.522481
  H      -6.247487      4.555109      9.377613
  H      -6.040495      4.712549      7.623010
  H      -8.463108      3.296418      8.837035
  H      -8.463492      5.007291      8.455854
  H      -6.957260      3.327020      3.792177
  H     -11.498914      2.757236      3.530368
  H     -13.391664      2.836351      5.174735
  H     -12.935944      3.331286      7.571669
  H     -10.627219      3.746208      8.351867
95
Coordinates from ORCA-job orca E -6148.306995305255
  N      -3.292267      1.627051      5.066643
  Mo     -3.937656      3.099220      6.122902
  N      -4.456190      2.708379      7.944220
  C      -3.380705      2.667307      8.920802
  C      -2.094610      2.275333      8.188970
  N      -1.975195      3.030098      6.906620
  C      -1.137916      2.315121      5.887200
  C      -1.914418      1.221863      5.108672
  C      -1.531694      4.442687      7.093206
  C      -2.039971      5.294108      5.927194
  N      -3.438326      5.006451      5.640340
  H      -1.469104      1.167826      4.094871
  H      -1.765119      0.220740      5.563168
  H      -0.802327      3.077374      5.171892
  H      -0.243965      1.893854      6.380449
  H      -1.866388      6.355228      6.186613
  H      -1.394817      5.104104      5.043309
  H      -1.981815      4.791321      8.033914
  H      -0.430462      4.488930      7.190168
  H      -3.578531      1.921258      9.713469
  H      -3.241104      3.640880      9.437758
  H      -2.137238      1.207206      7.934018
  H      -1.201716      2.451494      8.816738
  C      -4.294688      1.329755      4.093167
  C      -4.897258     -0.071522      4.098783
  C      -6.283321     -0.085205      3.410618
  C      -6.300512      0.396816      1.989594
  N      -6.650968      1.662270      1.778026
  C      -6.676840      2.108489      0.496578
  N      -6.357071      1.435175     -0.597828
  C      -5.979127      0.134464     -0.412843
  C      -5.624329     -0.647527     -1.542580
  C      -5.249044     -1.967483     -1.382294
  C      -5.212473     -2.553567     -0.096760
  C      -5.551422     -1.811009      1.020313
  C      -5.941201     -0.456311      0.891422
  C      -4.335727      6.143567      5.655754
  C      -4.169060      7.137408      4.491272
  C      -4.544298      6.516737      3.147638
  C      -6.025688      6.424590      2.880648
  N      -6.863922      6.744076      3.852551
  C      -8.202803      6.651255      3.597242
  N      -8.780846      6.312671      2.467506
  C      -7.940054      5.985831      1.437411
  C      -8.496251      5.625929      0.184793
  C      -7.667920      5.287412     -0.865586
  C      -6.261637      5.289072     -0.703223
  C      -5.695137      5.636609      0.506894
  C      -6.519457      6.004168      1.601149
  C      -5.846272      2.671869      8.360965
  C      -6.462812      4.079265      8.449628
  C      -7.963392      4.054105      8.189801
  C      -8.312817      3.728582      6.753139
  N      -7.330212      3.657150      5.836714
  C      -7.690540      3.352521      4.561675
  N      -8.909985      3.137242      4.094911
  C      -9.935567      3.220416      5.001242
  C     -11.263203      3.014206      4.567405
  C     -12.316152      3.091293      5.471492
  C     -12.068574      3.376049      6.827416
  C     -10.772668      3.582398      7.281221
  C      -9.675706      3.510334      6.382412
  H      -4.033673      1.640309      3.059376
  H      -5.101183      2.041018      4.444671
  H      -5.021599     -0.401245      5.143464
  H      -4.219537     -0.790652      3.610322
  H      -6.680959     -1.111664      3.445226
  H      -6.961753      0.564009      3.986228
  H      -6.999626      3.143815      0.369898
  H      -5.664981     -0.174847     -2.525691
  H      -4.978796     -2.568376     -2.253953
  H      -4.914235     -3.598626      0.011768
  H      -5.517069     -2.276906      2.007354
  H      -5.369800      5.772210      5.630411
  H      -4.231496      6.712231      6.606281
  H      -3.124713      7.490954      4.452424
  H      -4.796949      8.022832      4.678469
  H      -4.088626      7.074702      2.312967
  H      -4.119155      5.495205      3.088637
  H      -8.853458      6.896740      4.443499
  H      -9.583742      5.619236      0.092334
  H      -8.093558      5.001156     -1.829681
  H      -5.626322      4.997498     -1.541948
  H      -4.610196      5.630020      0.622778
  H      -5.976142      2.122583      9.312950
  H      -6.401856      2.104038      7.594959
  H      -6.228510      4.548149      9.418060
  H      -5.994072      4.691694      7.666034
  H      -8.451494      3.314468      8.851476
  H      -8.423523      5.022089      8.456293
  H      -6.882583      3.266937      3.822913
  H     -11.429528      2.797816      3.510275
  H     -13.341335      2.932528      5.129514
  H     -12.904767      3.437143      7.528001
  H     -10.597686      3.807526      8.334519
95
Coordinates from ORCA-job orca E -6148.308129478150
  N      -3.314699      1.645764      5.065393
  Mo     -3.957743      3.091845      6.160199
  N      -4.446769      2.678457      7.982860
  C      -3.356115      2.638057      8.942403
  C      -2.076159      2.268090      8.186967
  N      -1.982346      3.036209      6.911262
  C      -1.158798      2.339121      5.869942
  C      -1.937858      1.236821      5.108498
  C      -1.552708      4.451532      7.103395
  C      -2.085386      5.310258      5.954152
  N      -3.481573      5.007112      5.676027
  H      -1.493876      1.170947      4.094773
  H      -1.788188      0.240525      5.573541
  H      -0.855940      3.108430      5.147473
  H      -0.245154      1.931087      6.337903
  H      -1.922966      6.369420      6.228918
  H      -1.443605      5.143372      5.062520
  H      -1.992986      4.785476      8.054161
  H      -0.450721      4.510731      7.184148
  H      -3.534272      1.881760      9.729939
  H      -3.218310      3.607925      9.467012
  H      -2.109523      1.201577      7.924124
  H      -1.177468      2.449265      8.805104
  C      -4.315106      1.346720      4.089470
  C      -4.903599     -0.059527      4.083141
  C      -6.285328     -0.078261      3.385951
  C      -6.299081      0.396904      1.962994
  N      -6.647466      1.661240      1.744434
  C      -6.678512      2.099643      0.460233
  N      -6.362277      1.419114     -0.630737
  C      -5.982641      0.120175     -0.438693
  C      -5.629957     -0.668200     -1.565006
  C      -5.253889     -1.986843     -1.397690
  C      -5.214012     -2.565381     -0.108691
  C      -5.550788     -1.816475      1.004729
  C      -5.941567     -0.462937      0.868890
  C      -4.386103      6.137236      5.674051
  C      -4.213216      7.127376      4.507231
  C      -4.575390      6.495762      3.165004
  C      -6.054381      6.404023      2.884830
  N      -6.900472      6.718557      3.851130
  C      -8.237540      6.624179      3.585555
  N      -8.805696      6.290341      2.449848
  C      -7.956677      5.968305      1.425014
  C      -8.503016      5.613268      0.166711
  C      -7.666261      5.277000     -0.877570
  C      -6.261293      5.276620     -0.703245
  C      -5.704362      5.620844      0.512106
  C      -6.537480      5.986486      1.600374
  C      -5.831630      2.654625      8.417827
  C      -6.436826      4.068619      8.489675
  C      -7.932648      4.057353      8.204403
  C      -8.264332      3.725274      6.764674
  N      -7.270952      3.628702      5.859425
  C      -7.624492      3.323300      4.582465
  N      -8.843041      3.130044      4.103219
  C      -9.877506      3.237758      4.996697
  C     -11.203461      3.055803      4.548783
  C     -12.265432      3.158353      5.440793
  C     -12.027161      3.445338      6.797290
  C     -10.732184      3.628898      7.264866
  C      -9.626417      3.530135      6.379208
  H      -4.059074      1.671002      3.058740
  H      -5.122302      2.047711      4.454961
  H      -5.034649     -0.396603      5.124720
  H      -4.218176     -0.772443      3.596297
  H      -6.680631     -1.105659      3.421704
  H      -6.968052      0.571545      3.955799
  H      -7.002952      3.133847      0.328606
  H      -5.673209     -0.201107     -2.550686
  H      -4.985380     -2.593006     -2.266305
  H      -4.914774     -3.609617      0.005191
  H      -5.513309     -2.276739      1.994370
  H      -5.416639      5.758043      5.636888
  H      -4.298615      6.712202      6.622831
  H      -3.170708      7.486854      4.474444
  H      -4.847120      8.010438      4.684849
  H      -4.110101      7.044305      2.329523
  H      -4.153413      5.472064      3.120166
  H      -8.894536      6.863780      4.428626
  H      -9.589760      5.608122      0.065492
  H      -8.083741      4.994312     -1.846327
  H      -5.619515      4.986396     -1.537594
  H      -4.620361      5.613339      0.636732
  H      -5.952679      2.121065      9.379472
  H      -6.399869      2.077047      7.668592
  H      -6.212842      4.541105      9.458697
  H      -5.950273      4.672213      7.710047
  H      -8.439003      3.327626      8.863474
  H      -8.386035      5.032203      8.456968
  H      -6.813852      3.217988      3.848973
  H     -11.362256      2.837555      3.490851
  H     -13.289612      3.018164      5.087802
  H     -12.869576      3.526911      7.488377
  H     -10.565047      3.856706      8.318849
95
Coordinates from ORCA-job orca E -6148.309250084898
  N      -3.336896      1.662020      5.065436
  Mo     -3.978282      3.081298      6.197526
  N      -4.437970      2.647286      8.021562
  C      -3.332365      2.608089      8.963836
  C      -2.058808      2.261311      8.185284
  N      -1.991346      3.041966      6.916464
  C      -1.181102      2.362681      5.854540
  C      -1.961063      1.249339      5.112097
  C      -1.577207      4.460358      7.113850
  C      -2.133680      5.324458      5.980427
  N      -3.526840      5.004092      5.709065
  H      -1.517254      1.169262      4.099283
  H      -1.811331      0.259197      5.590213
  H      -0.912601      3.137787      5.124497
  H      -0.248187      1.970290      6.297418
  H      -1.983822      6.381597      6.270261
  H      -1.494385      5.181106      5.082331
  H      -2.008975      4.779879      8.073567
  H      -0.475049      4.534043      7.179862
  H      -3.490498      1.841371      9.745488
  H      -3.196807      3.574013      9.496487
  H      -2.082217      1.196502      7.914750
  H      -1.154694      2.448499      8.793829
  C      -4.333903      1.359783      4.086173
  C      -4.906713     -0.051934      4.068387
  C      -6.284264     -0.077311      3.362890
  C      -6.296184      0.394480      1.939258
  N      -6.644733      1.657694      1.717115
  C      -6.682279      2.091445      0.431344
  N      -6.368845      1.407022     -0.658020
  C      -5.984915      0.110120     -0.462375
  C      -5.633012     -0.681069     -1.587305
  C      -5.253335     -1.998033     -1.416428
  C      -5.208573     -2.572177     -0.125492
  C      -5.544449     -1.820439      0.986244
  C      -5.939116     -0.468542      0.846990
  C      -4.439127      6.126374      5.686036
  C      -4.257601      7.111741      4.516279
  C      -4.606172      6.469472      3.175357
  C      -6.082348      6.383095      2.878714
  N      -6.937443      6.696865      3.837025
  C      -8.272237      6.606081      3.557906
  N      -8.828959      6.278124      2.415205
  C      -7.970507      5.956108      1.398246
  C      -8.505177      5.605988      0.133586
  C      -7.658820      5.266946     -0.901933
  C      -6.255765      5.259620     -0.712321
  C      -5.710103      5.600521      0.508966
  C      -6.553191      5.968972      1.588626
  C      -5.816696      2.635154      8.476127
  C      -6.412080      4.054725      8.536524
  C      -7.903015      4.056220      8.227886
  C      -8.219199      3.723775      6.784502
  N      -7.217384      3.610207      5.887776
  C      -7.566681      3.313342      4.607476
  N      -8.784416      3.142447      4.117236
  C      -9.825365      3.264914      5.001137
  C     -11.149646      3.106558      4.541148
  C     -12.218184      3.225743      5.424247
  C     -11.986652      3.506695      6.782584
  C     -10.692518      3.667897      7.261966
  C      -9.580417      3.551027      6.386254
  H      -4.082139      1.697013      3.058656
  H      -5.141924      2.050148      4.464343
  H      -5.043934     -0.396441      5.106787
  H      -4.212900     -0.757776      3.583094
  H      -6.675180     -1.106513      3.397718
  H      -6.972239      0.570327      3.928848
  H      -7.010294      3.124262      0.297465
  H      -5.680065     -0.217124     -2.574323
  H      -4.985507     -2.606691     -2.283595
  H      -4.906093     -3.615232     -0.008983
  H      -5.502596     -2.277438      1.977313
  H      -5.465640      5.738830      5.635303
  H      -4.370745      6.708728      6.632241
  H      -3.216407      7.475473      4.490335
  H      -4.896238      7.993431      4.683259
  H      -4.127543      7.006462      2.340035
  H      -4.191010      5.442303      3.146125
  H      -8.936742      6.843546      4.395726
  H      -9.590846      5.606361      0.020967
  H      -8.066833      4.987785     -1.875799
  H      -5.606628      4.966955     -1.540202
  H      -4.627470      5.588130      0.644968
  H      -5.926724      2.115241      9.446195
  H      -6.398489      2.049287      7.743874
  H      -6.198215      4.527464      9.507607
  H      -5.909703      4.653365      7.763040
  H      -8.425231      3.332922      8.881736
  H      -8.350264      5.036135      8.471536
  H      -6.755549      3.197441      3.876073
  H     -11.302877      2.893324      3.481337
  H     -13.241415      3.103787      5.061766
  H     -12.833375      3.601971      7.466738
  H     -10.531192      3.891944      8.317638
95
Coordinates from ORCA-job orca E -6148.310321156233
  N      -3.360941      1.678613      5.066085
  Mo     -4.000910      3.070695      6.233709
  N      -4.430033      2.617114      8.058827
  C      -3.309102      2.579809      8.983095
  C      -2.042554      2.257190      8.181306
  N      -2.002452      3.050120      6.920015
  C      -1.206088      2.389207      5.837685
  C      -1.985676      1.263606      5.115766
  C      -1.605205      4.471627      7.122850
  C      -2.186528      5.340312      6.006080
  N      -3.575879      5.001104      5.741790
  H      -1.542493      1.168815      4.103896
  H      -1.834540      0.280465      5.607806
  H      -0.974095      3.169235      5.100092
  H      -0.253984      2.014306      6.254453
  H      -2.050159      6.395087      6.311461
  H      -1.550207      5.221732      5.101641
  H      -2.028197      4.776176      8.091463
  H      -0.503330      4.561065      7.173872
  H      -3.446494      1.802707      9.758350
  H      -3.175958      3.541684      9.523926
  H      -2.055609      1.194257      7.902961
  H      -1.133219      2.450895      8.780290
  C      -4.354830      1.372174      4.083910
  C      -4.911533     -0.044931      4.055667
  C      -6.286044     -0.075921      3.344448
  C      -6.297901      0.395436      1.921295
  N      -6.647520      1.657964      1.699314
  C      -6.693238      2.090255      0.413095
  N      -6.383600      1.404762     -0.676676
  C      -5.994431      0.109604     -0.481247
  C      -5.643925     -0.681280     -1.607171
  C      -5.259374     -1.996688     -1.436428
  C      -5.207835     -2.569602     -0.145024
  C      -5.542256     -1.818119      0.967285
  C      -5.942113     -0.467860      0.828397
  C      -4.496677      6.114260      5.694319
  C      -4.303373      7.095206      4.522547
  C      -4.632699      6.441348      3.182350
  C      -6.104871      6.358769      2.865332
  N      -6.971367      6.671229      3.813526
  C      -8.302990      6.582857      3.517909
  N      -8.845269      6.260195      2.367065
  C      -7.974868      5.938474      1.360141
  C      -8.494566      5.592268      0.088150
  C      -7.636059      5.250228     -0.936321
  C      -6.235621      5.237036     -0.728178
  C      -5.704339      5.575991      0.499935
  C      -6.560011      5.947217      1.568761
  C      -5.801680      2.613910      8.533880
  C      -6.388122      4.038104      8.589882
  C      -7.873681      4.050906      8.258468
  C      -8.173654      3.718949      6.811269
  N      -7.163117      3.588237      5.923615
  C      -7.507690      3.302649      4.639150
  N      -8.723976      3.154908      4.137348
  C      -9.771560      3.289903      5.011601
  C     -11.093394      3.154312      4.539094
  C     -12.168499      3.288246      5.413159
  C     -11.944361      3.562111      6.773631
  C     -10.651807      3.701782      7.265225
  C      -9.533379      3.568480      6.399652
  H      -4.107837      1.721765      3.059474
  H      -5.164190      2.051570      4.474407
  H      -5.053239     -0.397262      5.090887
  H      -4.210232     -0.743576      3.570662
  H      -6.672621     -1.106951      3.377170
  H      -6.978268      0.568695      3.908724
  H      -7.025720      3.121647      0.279855
  H      -5.696142     -0.218014     -2.594311
  H      -4.992622     -2.605465     -2.303974
  H      -4.901033     -3.611513     -0.028829
  H      -5.494455     -2.274240      1.958628
  H      -5.518283      5.717264      5.626292
  H      -4.451574      6.703844      6.637849
  H      -3.264119      7.464976      4.507100
  H      -4.948706      7.974379      4.676365
  H      -4.138807      6.967128      2.348843
  H      -4.223355      5.411392      3.170241
  H      -8.977075      6.818038      4.348770
  H      -9.578760      5.597241     -0.038351
  H      -8.032078      4.973438     -1.915890
  H      -5.577100      4.941619     -1.547766
  H      -4.623526      5.559503      0.649793
  H      -5.899279      2.103390      9.509987
  H      -6.397214      2.022742      7.816929
  H      -6.184969      4.506939      9.565075
  H      -5.871066      4.636229      7.825531
  H      -8.410531      3.332636      8.906124
  H      -8.315803      5.034973      8.494617
  H      -6.696048      3.178254      3.909594
  H     -11.240479      2.947060      3.477153
  H     -13.190224      3.183869      5.040871
  H     -12.795376      3.669589      7.450799
  H     -10.496801      3.921169      8.322821
95
Coordinates from ORCA-job orca E -6148.311358179016
  N      -3.384945      1.693347      5.066562
  Mo     -4.024132      3.057104      6.269171
  N      -4.422987      2.584490      8.095015
  C      -3.287381      2.549817      9.001290
  C      -2.028113      2.252689      8.177132
  N      -2.015554      3.057405      6.924137
  C      -1.232353      2.414966      5.822830
  C      -2.009815      1.277074      5.120089
  C      -1.637002      4.482117      7.133064
  C      -2.242886      5.354197      6.032570
  N      -3.627467      4.994689      5.772503
  H      -1.566277      1.168154      4.109758
  H      -1.857134      0.301158      5.625857
  H      -1.035768      3.199141      5.078954
  H      -0.262693      2.058141      6.214495
  H      -2.121813      6.406201      6.354137
  H      -1.608588      5.261930      5.123020
  H      -2.052404      4.771292      8.109768
  H      -0.536066      4.588855      7.170647
  H      -3.403737      1.762174      9.769241
  H      -3.157398      3.507362      9.550715
  H      -2.029971      1.191891      7.890697
  H      -1.114243      2.453588      8.767084
  C      -4.374965      1.382041      4.081201
  C      -4.913413     -0.041005      4.042659
  C      -6.285554     -0.079890      3.327247
  C      -6.300362      0.393653      1.905460
  N      -6.657506      1.654160      1.686323
  C      -6.713828      2.087301      0.400656
  N      -6.404542      1.404619     -0.690961
  C      -6.003434      0.112875     -0.498486
  C      -5.650247     -0.673586     -1.626975
  C      -5.254058     -1.985754     -1.459106
  C      -5.192929     -2.559826     -0.168499
  C      -5.529825     -1.812644      0.945901
  C      -5.941685     -0.465819      0.810173
  C      -4.557071      6.097603      5.696067
  C      -4.348727      7.071388      4.520679
  C      -4.658232      6.404689      3.181927
  C      -6.125343      6.331482      2.839704
  N      -7.005304      6.649230      3.773457
  C      -8.332532      6.571525      3.455437
  N      -8.857110      6.256662      2.294514
  C      -7.972519      5.928221      1.302167
  C      -8.473443      5.588414      0.020926
  C      -7.600621      5.236663     -0.988095
  C      -6.204361      5.208265     -0.754996
  C      -5.691046      5.542841      0.481921
  C      -6.561466      5.923553      1.535454
  C      -5.786358      2.589165      8.592321
  C      -6.364534      4.017371      8.650913
  C      -7.844775      4.042434      8.297836
  C      -8.132965      3.718337      6.846052
  N      -7.118021      3.579354      5.961487
  C      -7.463739      3.313226      4.672699
  N      -8.680118      3.187436      4.164868
  C      -9.729979      3.325091      5.035803
  C     -11.050922      3.209810      4.557100
  C     -12.128243      3.348890      5.428634
  C     -11.905471      3.608356      6.791600
  C     -10.612826      3.728640      7.289208
  C      -9.492396      3.588404      6.427044
  H      -4.132946      1.743953      3.059972
  H      -5.185874      2.049488      4.483440
  H      -5.058090     -0.401627      5.074643
  H      -4.203890     -0.731070      3.557356
  H      -6.665075     -1.113761      3.356586
  H      -6.982971      0.558936      3.891781
  H      -7.056097      3.115816      0.270220
  H      -5.709947     -0.209266     -2.613233
  H      -4.985178     -2.591433     -2.328259
  H      -4.876495     -3.599185     -0.054796
  H      -5.473930     -2.269613      1.936534
  H      -5.572868      5.690555      5.609107
  H      -4.538108      6.696383      6.635082
  H      -3.310726      7.444815      4.516326
  H      -4.998698      7.949658      4.658986
  H      -4.144542      6.915708      2.351292
  H      -4.259305      5.370513      3.189566
  H      -9.018350      6.809976      4.275735
  H      -9.555192      5.605163     -0.124471
  H      -7.981888      4.963926     -1.974694
  H      -5.534862      4.904907     -1.562798
  H      -4.613189      5.515241      0.650596
  H      -5.869478      2.084334      9.572491
  H      -6.396575      1.995525      7.889852
  H      -6.172587      4.477337      9.632483
  H      -5.832956      4.618987      7.899253
  H      -8.394530      3.325783      8.936487
  H      -8.281568      5.029246      8.532350
  H      -6.655251      3.187759      3.939995
  H     -11.196506      3.014405      3.492654
  H     -13.149700      3.260207      5.051459
  H     -12.757384      3.720470      7.467024
  H     -10.459455      3.937426      8.349159
95
Coordinates from ORCA-job orca E -6148.312278271266
  N      -3.411773      1.711063      5.065102
  Mo     -4.049447      3.047520      6.300124
  N      -4.419531      2.556037      8.125949
  C      -3.269835      2.523680      9.014682
  C      -2.018313      2.249741      8.169542
  N      -2.031078      3.065785      6.925258
  C      -1.261130      2.440954      5.806193
  C      -2.036897      1.293256      5.120635
  C      -1.668545      4.492472      7.141161
  C      -2.297241      5.369384      6.058492
  N      -3.676952      4.991694      5.803422
  H      -1.593603      1.171572      4.111610
  H      -1.883138      0.323945      5.638586
  H      -1.097155      3.228819      5.057863
  H      -0.276138      2.100185      6.173646
  H      -2.189972      6.417673      6.397468
  H      -1.666347      5.303782      5.143632
  H      -2.075425      4.766526      8.125899
  H      -0.568745      4.614349      7.165502
  H      -3.366648      1.726357      9.775308
  H      -3.141857      3.476943      9.572264
  H      -2.011005      1.191249      7.874981
  H      -1.100046      2.456109      8.751249
  C      -4.398311      1.396739      4.076757
  C      -4.920797     -0.031253      4.027547
  C      -6.289958     -0.075152      3.307223
  C      -6.303779      0.399468      1.886447
  N      -6.665795      1.658538      1.668954
  C      -6.728900      2.092054      0.383587
  N      -6.418869      1.411181     -0.708849
  C      -6.008647      0.122195     -0.517994
  C      -5.651591     -0.660919     -1.647833
  C      -5.246337     -1.970392     -1.481342
  C      -5.179546     -2.545096     -0.191130
  C      -5.520217     -1.801214      0.924269
  C      -5.941431     -0.457216      0.790092
  C      -4.612823      6.085478      5.695928
  C      -4.387127      7.049694      4.515761
  C      -4.675168      6.367250      3.180064
  C      -6.136465      6.302036      2.812090
  N      -7.030254      6.622658      3.731583
  C      -8.352443      6.553565      3.391155
  N      -8.858542      6.247507      2.219774
  C      -7.959366      5.914803      1.241862
  C      -8.440411      5.582485     -0.049033
  C      -7.552924      5.222787     -1.042552
  C      -6.161612      5.179772     -0.784033
  C      -5.667210      5.509266      0.461995
  C      -6.552650      5.897841      1.500112
  C      -5.773826      2.568689      8.645609
  C      -6.342277      4.001055      8.708729
  C      -7.817813      4.037495      8.338497
  C      -8.098957      3.708782      6.886040
  N      -7.082193      3.547243      6.004092
  C      -7.432612      3.291150      4.713923
  N      -8.650247      3.187768      4.203905
  C      -9.700045      3.339155      5.072735
  C     -11.021261      3.242504      4.592106
  C     -12.098235      3.397954      5.462224
  C     -11.873085      3.656225      6.824577
  C     -10.579222      3.759043      7.323892
  C      -9.459265      3.600227      6.463965
  H      -4.160386      1.770395      3.058873
  H      -5.211029      2.053401      4.490112
  H      -5.069459     -0.400060      5.056100
  H      -4.203950     -0.713693      3.542206
  H      -6.665468     -1.110723      3.333813
  H      -6.991231      0.560638      3.870508
  H      -7.079114      3.117937      0.254658
  H      -5.715721     -0.195935     -2.633584
  H      -4.974373     -2.573787     -2.351266
  H      -4.855490     -3.582345     -0.078733
  H      -5.459345     -2.258564      1.914583
  H      -5.622785      5.669788      5.589912
  H      -4.620129      6.694215      6.629078
  H      -3.350494      7.426706      4.523202
  H      -5.041709      7.927168      4.635637
  H      -4.141440      6.862307      2.352393
  H      -4.286611      5.329433      3.209294
  H      -9.050379      6.793093      4.200955
  H      -9.519267      5.609950     -0.213645
  H      -7.918773      4.954488     -2.036269
  H      -5.480876      4.869447     -1.579825
  H      -4.592784      5.471100      0.649856
  H      -5.842490      2.067823      9.628858
  H      -6.399350      1.974740      7.956926
  H      -6.159458      4.452571      9.695890
  H      -5.797633      4.605678      7.968545
  H      -8.379314      3.328468      8.975551
  H      -8.247191      5.029455      8.564895
  H      -6.629015      3.156473      3.977439
  H     -11.168173      3.048450      3.527495
  H     -13.120353      3.323452      5.083539
  H     -12.723950      3.781663      7.499184
  H     -10.424634      3.967326      8.383752
95
Coordinates from ORCA-job orca E -6148.313250476040
  N      -3.436634      1.728667      5.066334
  Mo     -4.074243      3.035387      6.334075
  N      -4.414875      2.524930      8.159721
  C      -3.251566      2.497756      9.030647
  C      -2.007922      2.249765      8.165077
  N      -2.047606      3.075920      6.929823
  C      -1.289809      2.469319      5.794142
  C      -2.061656      1.310218      5.126142
  C      -1.705358      4.505218      7.153130
  C      -2.358289      5.385589      6.088617
  N      -3.731254      4.985666      5.835054
  H      -1.617143      1.174137      4.119522
  H      -1.907155      0.348864      5.658275
  H      -1.159256      3.259861      5.041672
  H      -0.289930      2.146851      6.137551
  H      -2.269084      6.429250      6.447329
  H      -1.729685      5.351073      5.169870
  H      -2.105206      4.762788      8.145260
  H      -0.607602      4.645850      7.165657
  H      -3.327015      1.690658      9.783271
  H      -3.127634      3.446805      9.596446
  H      -1.989157      1.193691      7.862801
  H      -1.086184      2.463728      8.738899
  C      -4.419061      1.409501      4.074352
  C      -4.921803     -0.024683      4.015419
  C      -6.292338     -0.078230      3.298711
  C      -6.318726      0.404208      1.881344
  N      -6.700553      1.658702      1.674006
  C      -6.784783      2.097689      0.391653
  N      -6.474963      1.427127     -0.706977
  C      -6.040549      0.144725     -0.526840
  C      -5.680146     -0.626013     -1.664244
  C      -5.251374     -1.929177     -1.508329
  C      -5.163682     -2.509739     -0.221870
  C      -5.507340     -1.777992      0.900490
  C      -5.952220     -0.440653      0.777348
  C      -4.674254      6.067295      5.688055
  C      -4.426362      7.017734      4.501095
  C      -4.686992      6.316781      3.169103
  C      -6.139232      6.263025      2.764861
  N      -7.052862      6.588081      3.663081
  C      -8.366571      6.533020      3.289280
  N      -8.845312      6.240710      2.102847
  C      -7.925055      5.901860      1.146703
  C      -8.376046      5.581896     -0.158133
  C      -7.467521      5.211709     -1.128865
  C      -6.084782      5.146440     -0.833003
  C      -5.618938      5.466323      0.426581
  C      -6.525902      5.865516      1.441878
  C      -5.758461      2.545582      8.704045
  C      -6.319324      3.981464      8.773663
  C      -7.790168      4.028545      8.386626
  C      -8.067376      3.705249      6.931930
  N      -7.052278      3.542026      6.045318
  C      -7.412088      3.308084      4.753035
  N      -8.632185      3.219327      4.246349
  C      -9.678537      3.362844      5.120443
  C     -11.001424      3.275018      4.644384
  C     -12.074673      3.425780      5.520722
  C     -11.842241      3.671377      6.883727
  C     -10.545690      3.765841      7.378418
  C      -9.429471      3.609406      6.512895
  H      -4.185897      1.794836      3.059866
  H      -5.233535      2.053636      4.498284
  H      -5.068112     -0.402698      5.040944
  H      -4.198150     -0.696771      3.525909
  H      -6.658005     -1.117529      3.320582
  H      -6.996931      0.548088      3.868435
  H      -7.155107      3.117481      0.271785
  H      -5.760868     -0.156616     -2.646647
  H      -4.976784     -2.523339     -2.383756
  H      -4.820915     -3.541845     -0.118159
  H      -5.429842     -2.239573      1.887689
  H      -5.676546      5.640763      5.560136
  H      -4.713148      6.689302      6.611933
  H      -3.391282      7.397969      4.523460
  H      -5.085254      7.894703      4.597482
  H      -4.126312      6.792241      2.347881
  H      -4.312931      5.274678      3.224336
  H      -9.082172      6.773983      4.082992
  H      -9.449630      5.625560     -0.351167
  H      -7.810342      4.951509     -2.132867
  H      -5.387898      4.827040     -1.611000
  H      -4.550584      5.411895      0.642780
  H      -5.809808      2.048875      9.690400
  H      -6.399848      1.950588      8.031195
  H      -6.147373      4.421852      9.767634
  H      -5.761784      4.591631      8.047315
  H      -8.360636      3.321933      9.018303
  H      -8.214002      5.023048      8.611954
  H      -6.616540      3.182457      4.006950
  H     -11.153480      3.091719      3.578595
  H     -13.098534      3.357904      5.145629
  H     -12.689369      3.793663      7.563617
  H     -10.386244      3.964146      8.439329
95
Coordinates from ORCA-job orca E -6148.314131436657
  N      -3.465040      1.751558      5.066620
  Mo     -4.102656      3.025567      6.368603
  N      -4.411011      2.493559      8.193738
  C      -3.233073      2.472645      9.044976
  C      -1.998964      2.251818      8.157655
  N      -2.067745      3.089226      6.932516
  C      -1.321822      2.503337      5.779364
  C      -2.089145      1.334553      5.126588
  C      -1.745885      4.520725      7.164800
  C      -2.424538      5.404616      6.120097
  N      -3.790208      4.981330      5.870196
  H      -1.645324      1.187800      4.121192
  H      -1.931865      0.379967      5.669702
  H      -1.225126      3.297690      5.025497
  H      -0.307969      2.199248      6.098222
  H      -2.353935      6.442735      6.499473
  H      -1.800853      5.402805      5.196806
  H      -2.137567      4.760735      8.164641
  H      -0.650659      4.680417      7.164916
  H      -3.285783      1.655831      9.789011
  H      -3.112627      3.417168      9.619257
  H      -1.969328      1.198785      7.846125
  H      -1.072973      2.472914      8.722335
  C      -4.443610      1.429009      4.071762
  C      -4.926299     -0.011216      3.998875
  C      -6.298040     -0.073234      3.285388
  C      -6.336632      0.421624      1.872963
  N      -6.734158      1.673342      1.680282
  C      -6.836708      2.122700      0.402834
  N      -6.529153      1.465424     -0.704249
  C      -6.075187      0.187835     -0.539450
  C      -5.713724     -0.567611     -1.686854
  C      -5.265667     -1.865971     -1.546123
  C      -5.159128     -2.456866     -0.265647
  C      -5.503597     -1.740211      0.866074
  C      -5.967925     -0.408130      0.758580
  C      -4.741593      6.047994      5.683945
  C      -4.475450      6.984134      4.489686
  C      -4.702632      6.259491      3.163895
  C      -6.143579      6.205400      2.721055
  N      -7.080595      6.529806      3.595243
  C      -8.383714      6.477733      3.186077
  N      -8.830230      6.193195      1.984921
  C      -7.885101      5.853101      1.053545
  C      -8.300462      5.539189     -0.264661
  C      -7.367187      5.161480     -1.209147
  C      -5.994688      5.083080     -0.872925
  C      -5.562635      5.400638      0.399430
  C      -6.495026      5.807990      1.388235
  C      -5.742440      2.523623      8.764089
  C      -6.292431      3.964173      8.841243
  C      -7.758480      4.024370      8.439862
  C      -8.031620      3.699251      6.984793
  N      -7.016495      3.522015      6.097934
  C      -7.382220      3.306899      4.803647
  N      -8.603419      3.238399      4.296696
  C      -9.648524      3.384728      5.171984
  C     -10.972001      3.311211      4.696510
  C     -12.043521      3.468745      5.574487
  C     -11.807032      3.708052      6.937609
  C     -10.509061      3.789008      7.431505
  C      -9.394653      3.622885      6.565095
  H      -4.215918      1.828008      3.061423
  H      -5.260298      2.058952      4.507750
  H      -5.069696     -0.401389      5.020250
  H      -4.195459     -0.670514      3.502791
  H      -6.653565     -1.116308      3.299189
  H      -7.005990      0.541698      3.863271
  H      -7.223565      3.137646      0.295631
  H      -5.809280     -0.090358     -2.664169
  H      -4.990243     -2.448566     -2.429085
  H      -4.801073     -3.484974     -0.174250
  H      -5.411416     -2.209382      1.848486
  H      -5.734637      5.607672      5.535675
  H      -4.812659      6.682761      6.597466
  H      -3.444596      7.374185      4.526839
  H      -5.143630      7.856392      4.560227
  H      -4.116647      6.716803      2.350114
  H      -4.337093      5.216254      3.248097
  H      -9.120119      6.716100      3.961315
  H      -9.367742      5.591119     -0.488394
  H      -7.682977      4.903930     -2.222657
  H      -5.278524      4.756367     -1.630100
  H      -4.501408      5.337294      0.646254
  H      -5.776365      2.031007      9.753329
  H      -6.401023      1.929176      8.107821
  H      -6.129000      4.393243      9.841510
  H      -5.722335      4.578611      8.127676
  H      -8.339630      3.325801      9.070709
  H      -8.173640      5.023953      8.658711
  H      -6.592115      3.183450      4.051878
  H     -11.126562      3.133745      3.630034
  H     -13.068248      3.411680      5.199905
  H     -12.652012      3.836328      7.619171
  H     -10.347231      3.982516      8.492851
95
Coordinates from ORCA-job orca E -6148.314970763410
  N      -3.489238      1.772865      5.061521
  Mo     -4.130130      3.018246      6.391055
  N      -4.412583      2.465941      8.214862
  C      -3.222472      2.451345      9.049828
  C      -1.996060      2.254922      8.145725
  N      -2.088342      3.102462      6.930856
  C      -1.351373      2.536352      5.763603
  C      -2.111973      1.358869      5.122070
  C      -1.785814      4.534825      7.174628
  C      -2.485656      5.423881      6.150433
  N      -3.843396      4.979563      5.899119
  H      -1.667472      1.203108      4.118380
  H      -1.952032      0.410606      5.675162
  H      -1.284505      3.334511      5.010267
  H      -0.326036      2.249475      6.061623
  H      -2.433880      6.454715      6.553092
  H      -1.865321      5.456747      5.224961
  H      -2.171606      4.756832      8.180956
  H      -0.693299      4.711939      7.166295
  H      -3.255414      1.626040      9.785651
  H      -3.106284      3.391674      9.632059
  H      -1.956357      1.204981      7.825300
  H      -1.067548      2.481864      8.704487
  C      -4.463232      1.446609      4.062820
  C      -4.926971      0.000736      3.978252
  C      -6.299033     -0.070300      3.267138
  C      -6.345305      0.431218      1.857588
  N      -6.757155      1.679201      1.672984
  C      -6.872303      2.133874      0.398502
  N      -6.564452      1.484822     -0.712998
  C      -6.093959      0.212193     -0.556866
  C      -5.729802     -0.533543     -1.709776
  C      -5.265130     -1.826872     -1.577356
  C      -5.144111     -2.422357     -0.300152
  C      -5.491033     -1.715329      0.836709
  C      -5.972136     -0.388515      0.737727
  C      -4.797831      6.034129      5.669405
  C      -4.504349      6.953228      4.468241
  C      -4.699434      6.208708      3.147990
  C      -6.127229      6.166540      2.663115
  N      -7.085922      6.496216      3.511830
  C      -8.376692      6.461486      3.064660
  N      -8.790271      6.195354      1.847347
  C      -7.822208      5.847727      0.942130
  C      -8.201305      5.550654     -0.390938
  C      -7.246401      5.156874     -1.307388
  C      -5.888019      5.046287     -0.927500
  C      -5.489650      5.352724      0.358788
  C      -6.443981      5.776687      1.319345
  C      -5.730433      2.505827      8.813265
  C      -6.271067      3.950010      8.898177
  C      -7.736729      4.020411      8.496584
  C      -8.024858      3.683998      7.047058
  N      -7.022204      3.489487      6.147232
  C      -7.411068      3.283903      4.857505
  N      -8.639641      3.227796      4.368053
  C      -9.671505      3.379074      5.258131
  C     -11.001777      3.311928      4.802342
  C     -12.059485      3.479629      5.695502
  C     -11.800676      3.723880      7.053441
  C     -10.494982      3.798901      7.527711
  C      -9.394204      3.619876      6.646263
  H      -4.238584      1.856921      3.056373
  H      -5.284186      2.064371      4.507291
  H      -5.067962     -0.398969      4.996245
  H      -4.189283     -0.647422      3.477725
  H      -6.646499     -1.116268      3.276497
  H      -7.010098      0.536583      3.849704
  H      -7.272948      3.144335      0.298493
  H      -5.836766     -0.052867     -2.684283
  H      -4.987658     -2.402203     -2.464500
  H      -4.772977     -3.446462     -0.215627
  H      -5.387904     -2.187720      1.816567
  H      -5.782869      5.584508      5.498902
  H      -4.900186      6.682105      6.570738
  H      -3.475564      7.346173      4.523483
  H      -5.175521      7.824901      4.511001
  H      -4.083034      6.645256      2.345391
  H      -4.350733      5.162150      3.259496
  H      -9.132943      6.701720      3.820048
  H      -9.259815      5.624802     -0.647943
  H      -7.535198      4.909424     -2.331413
  H      -5.155363      4.705831     -1.662537
  H      -4.438128      5.266793      0.638398
  H      -5.743461      2.017584      9.805320
  H      -6.407408      1.911637      8.175922
  H      -6.108688      4.371666      9.901710
  H      -5.694768      4.565786      8.189999
  H      -8.321096      3.333711      9.137326
  H      -8.140473      5.026440      8.707311
  H      -6.636009      3.159275      4.090814
  H     -11.173118      3.131839      3.738785
  H     -13.089980      3.427379      5.336253
  H     -12.634242      3.860945      7.747355
  H     -10.316613      3.996467      8.585593
95
Coordinates from ORCA-job orca E -6148.315864465224
  N      -3.518265      1.800356      5.062571
  Mo     -4.158117      3.019782      6.418592
  N      -4.411870      2.446668      8.240706
  C      -3.209411      2.441529      9.059061
  C      -1.991832      2.265427      8.137894
  N      -2.106662      3.119771      6.930904
  C      -1.381479      2.569991      5.749539
  C      -2.140200      1.386568      5.120672
  C      -1.818136      4.552116      7.183048
  C      -2.538938      5.446323      6.179693
  N      -3.890409      4.984151      5.933368
  H      -1.697761      1.220321      4.117865
  H      -1.979414      0.444506      5.683709
  H      -1.343698      3.370948      4.997110
  H      -0.345793      2.297856      6.025443
  H      -2.502036      6.469696      6.603915
  H      -1.925888      5.510636      5.250667
  H      -2.194514      4.759498      8.196076
  H      -0.728093      4.743060      7.163548
  H      -3.222520      1.609859      9.788416
  H      -3.097114      3.378901      9.646919
  H      -1.944400      1.217829      7.811299
  H      -1.060085      2.497729      8.689551
  C      -4.490068      1.473301      4.061570
  C      -4.941152      0.023931      3.966294
  C      -6.314666     -0.049944      3.258751
  C      -6.366435      0.456268      1.851264
  N      -6.780495      1.704763      1.673891
  C      -6.903511      2.164361      0.401764
  N      -6.602727      1.518995     -0.713393
  C      -6.128742      0.246798     -0.564802
  C      -5.770387     -0.494281     -1.722433
  C      -5.301687     -1.786813     -1.597084
  C      -5.170818     -2.386282     -0.322550
  C      -5.512263     -1.684120      0.818766
  C      -5.997275     -0.358103      0.726897
  C      -4.843846      6.028126      5.659882
  C      -4.525001      6.924823      4.448720
  C      -4.697416      6.154934      3.139301
  C      -6.113074      6.125998      2.618907
  N      -7.088651      6.465737      3.444626
  C      -8.367574      6.450079      2.965013
  N      -8.752855      6.199448      1.734766
  C      -7.767119      5.838448      0.853760
  C      -8.115874      5.549971     -0.489495
  C      -7.145826      5.131062     -1.378986
  C      -5.802093      4.988248     -0.961450
  C      -5.431342      5.291214      0.334195
  C      -6.401087      5.739632      1.267728
  C      -5.716478      2.488598      8.864901
  C      -6.254759      3.933628      8.959270
  C      -7.715386      4.007530      8.541099
  C      -7.998378      3.669277      7.090822
  N      -6.995794      3.479291      6.187186
  C      -7.390878      3.291973      4.895641
  N      -8.620387      3.235683      4.409884
  C      -9.650676      3.369884      5.304733
  C     -10.981627      3.294932      4.853375
  C     -12.037452      3.451052      5.751150
  C     -11.774655      3.692381      7.108658
  C     -10.467767      3.774696      7.578355
  C      -9.368610      3.604833      6.692779
  H      -4.267477      1.893359      3.058821
  H      -5.312406      2.081406      4.513545
  H      -5.080700     -0.384115      4.981136
  H      -4.199521     -0.615964      3.461109
  H      -6.660401     -1.096568      3.266223
  H      -7.024731      0.554474      3.844976
  H      -7.306307      3.174928      0.307615
  H      -5.884795     -0.010489     -2.694600
  H      -5.028659     -2.358687     -2.487874
  H      -4.796625     -3.409777     -0.243925
  H      -5.402129     -2.159268      1.796561
  H      -5.822230      5.571416      5.472527
  H      -4.972026      6.691864      6.546369
  H      -3.497274      7.318301      4.514877
  H      -5.195735      7.797577      4.464298
  H      -4.052595      6.564142      2.344713
  H      -4.370124      5.105030      3.281063
  H      -9.140001      6.694645      3.702509
  H      -9.165170      5.647115     -0.775317
  H      -7.412517      4.887512     -2.409894
  H      -5.058131      4.626872     -1.674820
  H      -4.390030      5.181078      0.642415
  H      -5.708559      2.002383      9.858243
  H      -6.406976      1.893071      8.244001
  H      -6.107136      4.343002      9.970093
  H      -5.667966      4.557811      8.266449
  H      -8.305837      3.324542      9.180096
  H      -8.117232      5.015560      8.746110
  H      -6.620817      3.184230      4.121661
  H     -11.155470      3.118791      3.789483
  H     -13.068866      3.392674      5.395428
  H     -12.606147      3.821213      7.806715
  H     -10.287354      3.969522      8.636312
95
Coordinates from ORCA-job orca E -6148.316844319933
  N      -3.546690      1.831911      5.057723
  Mo     -4.187186      3.024940      6.438045
  N      -4.414842      2.428219      8.258271
  C      -3.201623      2.431019      9.061346
  C      -1.992715      2.274847      8.125387
  N      -2.128616      3.138156      6.928062
  C      -1.411530      2.606938      5.733783
  C      -2.167347      1.419673      5.111675
  C      -1.853909      4.569783      7.193474
  C      -2.592144      5.470915      6.210367
  N      -3.937230      4.992129      5.964072
  H      -1.727511      1.247342      4.108933
  H      -2.005107      0.481789      5.680926
  H      -1.399194      3.412590      4.985495
  H      -0.367705      2.348172      5.991362
  H      -2.570709      6.485778      6.656991
  H      -1.985228      5.566873      5.279977
  H      -2.223898      4.760721      8.212082
  H      -0.766389      4.773777      7.167294
  H      -3.196611      1.592685      9.783312
  H      -3.093191      3.364561      9.655971
  H      -1.938823      1.230345      7.790410
  H      -1.057960      2.510516      8.670880
  C      -4.516488      1.506045      4.053384
  C      -4.956570      0.053772      3.945640
  C      -6.330530     -0.023145      3.240156
  C      -6.383824      0.482222      1.832390
  N      -6.797506      1.731207      1.654815
  C      -6.925713      2.188324      0.382180
  N      -6.631753      1.539882     -0.732616
  C      -6.156034      0.268496     -0.583705
  C      -5.802479     -0.474980     -1.741111
  C      -5.331220     -1.766476     -1.614819
  C      -5.193333     -2.362776     -0.339460
  C      -5.530531     -1.658611      0.801720
  C      -6.017773     -0.333280      0.708663
  C      -4.887312      6.025494      5.643118
  C      -4.536081      6.900332      4.425320
  C      -4.682210      6.107569      3.125982
  C      -6.083657      6.093524      2.568089
  N      -7.076447      6.438047      3.371863
  C      -8.342280      6.439547      2.860640
  N      -8.698469      6.205940      1.617900
  C      -7.695049      5.836473      0.760180
  C      -8.013293      5.555765     -0.592208
  C      -7.028836      5.115671     -1.455734
  C      -5.700200      4.946621     -1.002990
  C      -5.356941      5.246505      0.301253
  C      -6.341724      5.714243      1.209047
  C      -5.705001      2.470357      8.909491
  C      -6.240122      3.916096      9.019297
  C      -7.698566      3.995372      8.594983
  C      -7.987883      3.650743      7.147594
  N      -6.991533      3.460744      6.234843
  C      -7.400884      3.287703      4.944822
  N      -8.634123      3.230084      4.470675
  C      -9.656994      3.350723      5.376329
  C     -10.991334      3.265641      4.937989
  C     -12.039457      3.414418      5.845923
  C     -11.764311      3.659544      7.200274
  C     -10.453615      3.750876      7.656976
  C      -9.361655      3.585359      6.761428
  H      -4.294135      1.935969      3.054861
  H      -5.340724      2.104465      4.511279
  H      -5.095304     -0.362701      4.957136
  H      -4.210717     -0.577409      3.435861
  H      -6.675977     -1.069874      3.248863
  H      -7.039779      0.581736      3.826726
  H      -7.328933      3.198954      0.287104
  H      -5.922164      0.006478     -2.713843
  H      -5.061689     -2.340118     -2.505550
  H      -4.817291     -3.385569     -0.260277
  H      -5.415570     -2.130864      1.780362
  H      -5.858319      5.562630      5.434055
  H      -5.044168      6.703573      6.513906
  H      -3.509423      7.292819      4.507395
  H      -5.204735      7.774557      4.411733
  H      -4.007338      6.490290      2.343380
  H      -4.377972      5.054904      3.296553
  H      -9.131180      6.683856      3.580649
  H      -9.052838      5.671805     -0.905478
  H      -7.273693      4.875443     -2.492778
  H      -4.945361      4.567602     -1.695454
  H      -4.326419      5.115706      0.636724
  H      -5.674441      1.983215      9.902223
  H      -6.410102      1.875842      8.304583
  H      -6.101383      4.311280     10.036945
  H      -5.646791      4.549227      8.339776
  H      -8.291996      3.319932      9.238871
  H      -8.094730      5.007028      8.793797
  H      -6.640287      3.194082      4.159887
  H     -11.174146      3.088434      3.875713
  H     -13.073869      3.348316      5.500398
  H     -12.589320      3.783924      7.906815
  H     -10.264726      3.948236      8.712858
95
Coordinates from ORCA-job orca E -6148.317857016645
  N      -3.576770      1.860944      5.057495
  Mo     -4.215344      3.035483      6.456197
  N      -4.418510      2.419151      8.274722
  C      -3.195444      2.430147      9.064195
  C      -1.994729      2.287074      8.115301
  N      -2.147597      3.155596      6.924539
  C      -1.440293      2.637133      5.719419
  C      -2.196942      1.447825      5.105506
  C      -1.879318      4.585554      7.198621
  C      -2.631489      5.493144      6.234146
  N      -3.972847      5.003707      5.993019
  H      -1.761693      1.268127      4.102248
  H      -2.034500      0.513924      5.681006
  H      -1.449337      3.445870      4.974311
  H      -0.390116      2.387940      5.960074
  H      -2.618860      6.500651      6.698790
  H      -2.033113      5.613313      5.301063
  H      -2.240388      4.765362      8.222429
  H      -0.793455      4.796972      7.163917
  H      -3.175296      1.587980      9.781632
  H      -3.089457      3.361604      9.662518
  H      -1.937617      1.244389      7.775559
  H      -1.056643      2.525007      8.654433
  C      -4.546117      1.536748      4.051506
  C      -4.980618      0.083102      3.936465
  C      -6.354897      0.007574      3.232477
  C      -6.404840      0.507602      1.822794
  N      -6.811992      1.758572      1.641098
  C      -6.940716      2.210279      0.366384
  N      -6.654307      1.554487     -0.745655
  C      -6.183089      0.282025     -0.592203
  C      -5.835270     -0.468351     -1.746712
  C      -5.367615     -1.760581     -1.615179
  C      -5.228150     -2.351040     -0.337172
  C      -5.560348     -1.640498      0.801325
  C      -6.043595     -0.313877      0.702674
  C      -4.914110      6.030515      5.627428
  C      -4.530917      6.879332      4.401242
  C      -4.666231      6.063853      3.114346
  C      -6.054905      6.079772      2.525372
  N      -7.056115      6.447020      3.309343
  C      -8.309503      6.482418      2.771840
  N      -8.643974      6.265975      1.519674
  C      -7.632770      5.869185      0.683144
  C      -7.929847      5.594808     -0.675288
  C      -6.942491      5.115562     -1.514760
  C      -5.631234      4.903333     -1.031927
  C      -5.305827      5.200874      0.277677
  C      -6.293664      5.706046      1.161554
  C      -5.695359      2.455712      8.950026
  C      -6.232836      3.899799      9.075720
  C      -7.686411      3.979990      8.635020
  C      -7.970972      3.634133      7.186793
  N      -6.974613      3.460241      6.268270
  C      -7.390844      3.301355      4.977245
  N      -8.624857      3.228600      4.509368
  C      -9.645266      3.319341      5.421787
  C     -10.979615      3.208318      4.990320
  C     -12.025622      3.332985      5.904224
  C     -11.747308      3.580845      7.257384
  C     -10.436313      3.696361      7.707189
  C      -9.345685      3.552472      6.805952
  H      -4.322511      1.972246      3.055801
  H      -5.371379      2.130158      4.512496
  H      -5.120116     -0.338086      4.945894
  H      -4.232847     -0.543874      3.424414
  H      -6.705460     -1.037394      3.245975
  H      -7.061013      0.618678      3.816250
  H      -7.338730      3.222871      0.266726
  H      -5.955891      0.008823     -2.721515
  H      -5.102199     -2.339463     -2.503810
  H      -4.854928     -3.374601     -0.253997
  H      -5.444554     -2.107841      1.782252
  H      -5.880938      5.566219      5.402522
  H      -5.091194      6.725083      6.481082
  H      -3.501822      7.262444      4.492770
  H      -5.189607      7.760138      4.361631
  H      -3.961541      6.410926      2.341616
  H      -4.397173      5.006483      3.313029
  H      -9.108010      6.741966      3.475943
  H      -8.957924      5.743438     -1.012004
  H      -7.173129      4.877807     -2.555633
  H      -4.874989      4.493357     -1.705027
  H      -4.287982      5.036377      0.636535
  H      -5.643178      1.965615      9.940640
  H      -6.411180      1.861031      8.358219
  H      -6.111598      4.278604     10.101777
  H      -5.630751      4.545314      8.415408
  H      -8.284076      3.306250      9.276413
  H      -8.083029      4.992519      8.829565
  H      -6.635591      3.234001      4.184208
  H     -11.164455      3.031194      3.928287
  H     -13.060413      3.246812      5.564180
  H     -12.570362      3.687712      7.969146
  H     -10.246241      3.894934      8.762555
95
Coordinates from ORCA-job orca E -6148.318980033421
  N      -3.612894      1.897551      5.052153
  Mo     -4.248350      3.050070      6.471411
  N      -4.422788      2.410111      8.287664
  C      -3.188851      2.429034      9.060630
  C      -1.998707      2.301675      8.097136
  N      -2.172387      3.178107      6.915886
  C      -1.474977      2.676454      5.698149
  C      -2.231844      1.485740      5.089820
  C      -1.912610      4.606354      7.202447
  C      -2.680334      5.520567      6.257901
  N      -4.017621      5.019243      6.020971
  H      -1.803796      1.302868      4.084305
  H      -2.066135      0.554144      5.667886
  H      -1.506356      3.490080      4.958912
  H      -0.418621      2.437520      5.921181
  H      -2.677241      6.520184      6.740675
  H      -2.091535      5.665533      5.322477
  H      -2.264758      4.772260      8.231664
  H      -0.828867      4.826848      7.159866
  H      -3.151743      1.582360      9.772273
  H      -3.084879      3.357552      9.663817
  H      -1.938450      1.261817      7.749697
  H      -1.056364      2.541511      8.628098
  C      -4.583744      1.576226      4.045429
  C      -5.013104      0.121478      3.920854
  C      -6.389259      0.047213      3.221342
  C      -6.439579      0.544807      1.810713
  N      -6.843004      1.797017      1.627120
  C      -6.975653      2.244363      0.351025
  N      -6.697412      1.583413     -0.759673
  C      -6.227162      0.311035     -0.603984
  C      -5.884863     -0.443859     -1.757021
  C      -5.417090     -1.735710     -1.622607
  C      -5.272559     -2.321549     -0.342939
  C      -5.599981     -1.606949      0.794238
  C      -6.082965     -0.280191      0.692430
  C      -4.951369      6.035804      5.608911
  C      -4.535198      6.859775      4.376854
  C      -4.642047      6.018324      3.103616
  C      -6.011168      6.050167      2.471567
  N      -7.030752      6.427846      3.227161
  C      -8.265928      6.483692      2.652841
  N      -8.564948      6.280197      1.389105
  C      -7.535478      5.867600      0.582760
  C      -7.796040      5.596808     -0.783798
  C      -6.794339      5.091991     -1.591126
  C      -5.503768      4.853085     -1.067814
  C      -5.211292      5.150760      0.249678
  C      -6.214380      5.679877      1.101548
  C      -5.682956      2.439544      8.992144
  C      -6.221858      3.881690      9.140810
  C      -7.672560      3.964960      8.691483
  C      -7.960144      3.617823      7.244320
  N      -6.968276      3.463798      6.315130
  C      -7.397761      3.321738      5.025244
  N      -8.634121      3.231312      4.569206
  C      -9.646998      3.285880      5.493521
  C     -10.982248      3.144271      5.075136
  C     -12.021564      3.239978      5.999998
  C     -11.734561      3.490923      7.350806
  C     -10.422190      3.635001      7.787600
  C      -9.337161      3.516756      6.875504
  H      -4.360599      2.018937      3.052919
  H      -5.409218      2.162618      4.511080
  H      -5.150194     -0.306414      4.927784
  H      -4.264536     -0.499461      3.402772
  H      -6.743272     -0.996474      3.237991
  H      -7.091859      0.662126      3.805170
  H      -7.371156      3.257796      0.248565
  H      -6.009164      0.029886     -2.733038
  H      -5.155538     -2.317888     -2.510191
  H      -4.899261     -3.344881     -0.257605
  H      -5.480544     -2.070208      1.776608
  H      -5.911252      5.566303      5.365516
  H      -5.153453      6.745702      6.444038
  H      -3.508360      7.243451      4.484884
  H      -5.191245      7.740262      4.304880
  H      -3.905150      6.334686      2.348123
  H      -4.401064      4.960507      3.333225
  H      -9.082335      6.749417      3.333711
  H      -8.809998      5.765449     -1.152358
  H      -6.998871      4.854877     -2.637532
  H      -4.736604      4.423001     -1.715494
  H      -4.208659      4.965751      0.640068
  H      -5.604729      1.944349      9.978702
  H      -6.411695      1.845838      8.415449
  H      -6.113462      4.240200     10.175514
  H      -5.614305      4.541460      8.499666
  H      -8.271719      3.293995      9.333804
  H      -8.067794      4.978698      8.883786
  H      -6.651941      3.287111      4.221402
  H     -11.173501      2.967803      4.014111
  H     -13.057431      3.130145      5.670343
  H     -12.552127      3.577057      8.071628
  H     -10.226785      3.834943      8.841568
95
Coordinates from ORCA-job orca E -6148.320108389423
  N      -3.647868      1.932153      5.044939
  Mo     -4.279470      3.065718      6.482468
  N      -4.427156      2.401939      8.295139
  C      -3.183366      2.426672      9.053267
  C      -2.003033      2.312749      8.076617
  N      -2.194483      3.197251      6.904798
  C      -1.507229      2.710659      5.675593
  C      -2.266009      1.520533      5.071028
  C      -1.938704      4.622795      7.203640
  C      -2.719413      5.545112      6.279677
  N      -4.054473      5.036282      6.048677
  H      -1.845777      1.335913      4.062778
  H      -2.097652      0.589952      5.649767
  H      -1.556848      3.529355      4.942833
  H      -0.446107      2.478881      5.882650
  H      -2.721513      6.536701      6.779751
  H      -2.141218      5.712005      5.341529
  H      -2.280819      4.775984      8.238162
  H      -0.856533      4.849018      7.152786
  H      -3.131951      1.575680      9.759038
  H      -3.080379      3.352018      9.661456
  H      -1.941498      1.275641      7.721513
  H      -1.056443      2.552817      8.600024
  C      -4.620775      1.615260      4.037613
  C      -5.048017      0.160378      3.904746
  C      -6.422879      0.090313      3.203273
  C      -6.462531      0.575181      1.787859
  N      -6.853455      1.829677      1.590641
  C      -6.979527      2.263742      0.308986
  N      -6.706736      1.587617     -0.793559
  C      -6.246146      0.313718     -0.623258
  C      -5.906938     -0.456302     -1.766999
  C      -5.447865     -1.749504     -1.617196
  C      -5.309810     -2.321997     -0.330705
  C      -5.635032     -1.592903      0.797680
  C      -6.108804     -0.263903      0.679855
  C      -4.979892      6.046294      5.601033
  C      -4.538520      6.849292      4.364272
  C      -4.629437      5.986330      3.103782
  C      -5.981674      6.040053      2.438087
  N      -7.011123      6.438827      3.169967
  C      -8.229555      6.524012      2.566519
  N      -8.501447      6.332245      1.294494
  C      -7.463383      5.892341      0.513731
  C      -7.697961      5.622065     -0.857563
  C      -6.693262      5.079573     -1.636531
  C      -5.424173      4.804817     -1.080207
  C      -5.153856      5.105416      0.241416
  C      -6.160620      5.670390      1.065110
  C      -5.671440      2.420840      9.025828
  C      -6.211671      3.860210      9.198511
  C      -7.657669      3.948402      8.734112
  C      -7.944579      3.599691      7.286859
  N      -6.955482      3.460116      6.349797
  C      -7.395509      3.336128      5.059945
  N      -8.632944      3.232678      4.612317
  C      -9.639752      3.255646      5.545234
  C     -10.974426      3.088315      5.135814
  C     -12.008894      3.160004      6.068154
  C     -11.716567      3.414297      7.417172
  C     -10.404254      3.582228      7.844999
  C      -9.322892      3.484259      6.925733
  H      -4.396700      2.063787      3.048006
  H      -5.446339      2.197082      4.506985
  H      -5.187760     -0.271965      4.909399
  H      -4.298095     -0.457672      3.385265
  H      -6.785958     -0.950037      3.228346
  H      -7.121947      0.716657      3.778940
  H      -7.365310      3.279836      0.193481
  H      -6.026010      0.007442     -2.748490
  H      -5.188309     -2.343179     -2.497723
  H      -4.943301     -3.346709     -0.233247
  H      -5.520922     -2.045530      1.785600
  H      -5.935512      5.574825      5.344701
  H      -5.198625      6.768478      6.421117
  H      -3.512526      7.231134      4.482249
  H      -5.190061      7.730531      4.268150
  H      -3.865471      6.271138      2.362932
  H      -4.419611      4.927775      3.358727
  H      -9.056786      6.805672      3.227730
  H      -8.697169      5.818015     -1.252037
  H      -6.880137      4.840772     -2.685834
  H      -4.655297      4.345518     -1.705443
  H      -4.167246      4.892427      0.657701
  H      -5.569285      1.917832     10.006404
  H      -6.411292      1.829580      8.460985
  H      -6.120345      4.196477     10.242271
  H      -5.595497      4.534354      8.580742
  H      -8.261873      3.281162      9.374994
  H      -8.050439      4.964086      8.922596
  H      -6.657594      3.330046      4.247698
  H     -11.169533      2.912443      4.075341
  H     -13.044717      3.030270      5.745700
  H     -12.530159      3.483748      8.144293
  H     -10.206145      3.783952      8.898004
95
Coordinates from ORCA-job orca E -6148.321246579526
  N      -3.684102      1.971960      5.037985
  Mo     -4.311756      3.084538      6.494304
  N      -4.428228      2.396378      8.302679
  C      -3.173975      2.428944      9.044184
  C      -2.004976      2.331815      8.052874
  N      -2.218205      3.224842      6.892109
  C      -1.541961      2.755869      5.650351
  C      -2.300462      1.564158      5.050183
  C      -1.970346      4.648095      7.204427
  C      -2.767508      5.576641      6.302266
  N      -4.099263      5.057081      6.077165
  H      -1.889492      1.379736      4.038312
  H      -2.125557      0.634621      5.628527
  H      -1.612736      3.579409      4.924627
  H      -0.475486      2.534009      5.839787
  H      -2.776236      6.559808      6.819499
  H      -2.200971      5.766483      5.361631
  H      -2.301742      4.786571      8.244492
  H      -0.890628      4.883618      7.144569
  H      -3.105623      1.573595      9.743384
  H      -3.073039      3.350962      9.657773
  H      -1.940350      1.297960      7.689089
  H      -1.054033      2.573938      8.567507
  C      -4.660385      1.657049      4.031464
  C      -5.083190      0.201368      3.891830
  C      -6.461273      0.133874      3.197241
  C      -6.502104      0.608466      1.778461
  N      -6.886642      1.863859      1.573148
  C      -7.019155      2.286448      0.287954
  N      -6.759117      1.598189     -0.809781
  C      -6.302170      0.324261     -0.631199
  C      -5.973692     -0.457551     -1.769938
  C      -5.517979     -1.750766     -1.611103
  C      -5.373325     -2.311769     -0.320168
  C      -5.688633     -1.571374      0.803470
  C      -6.158309     -0.241575      0.676248
  C      -5.018319      6.057380      5.593703
  C      -4.551233      6.842444      4.355234
  C      -4.612804      5.956116      3.108897
  C      -5.941350      6.024994      2.399050
  N      -6.987408      6.440110      3.098341
  C      -8.182879      6.549301      2.456042
  N      -8.414986      6.369077      1.174129
  C      -7.361242      5.906926      0.427718
  C      -7.555946      5.639675     -0.950346
  C      -6.541224      5.065244     -1.692883
  C      -5.300224      4.757341     -1.092935
  C      -5.065030      5.059193      0.235165
  C      -6.082811      5.655160      1.022359
  C      -5.655137      2.400032      9.060782
  C      -6.200048      3.834855      9.258655
  C      -7.640882      3.926022      8.778159
  C      -7.924778      3.577675      7.330021
  N      -6.937410      3.461253      6.385070
  C      -7.387228      3.356269      5.095248
  N      -8.624635      3.233227      4.655243
  C      -9.625155      3.215485      5.595873
  C     -10.957114      3.015421      5.193878
  C     -11.987200      3.054479      6.133042
  C     -11.692053      3.310681      7.481024
  C     -10.381740      3.509360      7.901406
  C      -9.303215      3.440390      6.975625
  H      -4.438507      2.111642      3.044142
  H      -5.486310      2.232078      4.505748
  H      -5.218885     -0.236288      4.894737
  H      -4.334088     -0.412273      3.366075
  H      -6.830942     -0.903851      3.231297
  H      -7.154142      0.768972      3.770654
  H      -7.400591      3.303483      0.164615
  H      -6.097754     -0.002464     -2.754885
  H      -5.266352     -2.353483     -2.487788
  H      -5.009596     -3.336792     -0.215676
  H      -5.569672     -2.014859      1.794948
  H      -5.967115      5.580727      5.321333
  H      -5.257887      6.789797      6.398566
  H      -3.529818      7.230356      4.488386
  H      -5.203825      7.719035      4.230752
  H      -3.818550      6.212159      2.389856
  H      -4.432238      4.899022      3.390737
  H      -9.026805      6.843474      3.090209
  H      -8.535713      5.860378     -1.379073
  H      -6.699876      4.826518     -2.746821
  H      -4.524169      4.272731     -1.689576
  H      -4.099117      4.821306      0.685327
  H      -5.526551      1.889068     10.034179
  H      -6.404682      1.809010      8.508512
  H      -6.127397      4.147365     10.311201
  H      -5.576374      4.524998      8.666344
  H      -8.249108      3.260013      9.415868
  H      -8.033729      4.942354      8.964477
  H      -6.657959      3.387258      4.275275
  H     -11.154332      2.841985      4.133342
  H     -13.021407      2.899470      5.816653
  H     -12.502145      3.357004      8.213916
  H     -10.183074      3.711709      8.954051
95
Coordinates from ORCA-job orca E -6148.322425838002
  N      -3.719734      2.009065      5.028896
  Mo     -4.343423      3.102549      6.502685
  N      -4.431714      2.389821      8.306432
  C      -3.168178      2.427668      9.032634
  C      -2.010022      2.345151      8.028596
  N      -2.242224      3.246792      6.878802
  C      -1.575074      2.793937      5.626441
  C      -2.334889      1.603336      5.027538
  C      -1.998939      4.667220      7.204544
  C      -2.808097      5.602272      6.321396
  N      -4.138033      5.075789      6.100953
  H      -1.932797      1.420376      4.012103
  H      -2.155562      0.673449      5.603756
  H      -1.661290      3.622982      4.908580
  H      -0.504952      2.578540      5.801892
  H      -2.821214      6.577937      6.853287
  H      -2.251751      5.810856      5.379172
  H      -2.321455      4.792775      8.248999
  H      -0.921027      4.908980      7.138172
  H      -3.085559      1.567720      9.724800
  H      -3.068000      3.345709      9.652320
  H      -1.944408      1.314687      7.655666
  H      -1.054604      2.587563      8.534771
  C      -4.698475      1.698603      4.022431
  C      -5.120181      0.243044      3.874043
  C      -6.497615      0.180119      3.178322
  C      -6.529493      0.644468      1.755732
  N      -6.900078      1.902397      1.539196
  C      -7.024882      2.314708      0.249602
  N      -6.771027      1.613875     -0.841269
  C      -6.326040      0.337525     -0.650644
  C      -6.002006     -0.457313     -1.781455
  C      -5.557301     -1.752692     -1.609990
  C      -5.420067     -2.303212     -0.313656
  C      -5.731724     -1.550343      0.802518
  C      -6.189911     -0.217574      0.662110
  C      -5.050882      6.068364      5.587391
  C      -4.566070      6.832802      4.343103
  C      -4.608029      5.922688      3.112533
  C      -5.913727      6.006957      2.363560
  N      -6.972154      6.444221      3.030995
  C      -8.144060      6.578386      2.352875
  N      -8.339796      6.403729      1.063709
  C      -7.275402      5.912886      0.351409
  C      -7.434467      5.642376     -1.030520
  C      -6.414701      5.032492     -1.737275
  C      -5.202364      4.693540     -1.097258
  C      -4.998434      5.001128      0.234775
  C      -6.022309      5.631711      0.985976
  C      -5.640338      2.378720      9.091946
  C      -6.187860      3.808527      9.319747
  C      -7.624099      3.907957      8.826121
  C      -7.910199      3.562719      7.377656
  N      -6.927852      3.468095      6.422558
  C      -7.391556      3.387657      5.134317
  N      -8.629650      3.248883      4.704242
  C      -9.620315      3.190439      5.654368
  C     -10.950184      2.962200      5.262016
  C     -11.972847      2.969925      6.209914
  C     -11.671374      3.225081      7.556759
  C     -10.362410      3.450076      7.967393
  C      -9.289601      3.408440      7.032866
  H      -4.476227      2.158930      3.037891
  H      -5.523958      2.268487      4.500036
  H      -5.257341     -0.199405      4.874641
  H      -4.370453     -0.367313      3.345422
  H      -6.875796     -0.854219      3.219242
  H      -7.186659      0.825105      3.745069
  H      -7.394035      3.335143      0.115324
  H      -6.120057     -0.010034     -2.770733
  H      -5.308812     -2.365275     -2.480695
  H      -5.065067     -3.330224     -0.199168
  H      -5.618920     -1.985492      1.798357
  H      -5.996023      5.588366      5.306966
  H      -5.302938      6.812153      6.377586
  H      -3.547920      7.225543      4.483477
  H      -5.218886      7.705076      4.194378
  H      -3.787201      6.147609      2.413295
  H      -4.458270      4.867941      3.420008
  H      -9.001152      6.890876      2.960086
  H      -8.393873      5.887137     -1.491093
  H      -6.548531      4.789855     -2.793749
  H      -4.423067      4.180846     -1.665565
  H      -4.053890      4.739624      0.716270
  H      -5.484880      1.857875     10.056288
  H      -6.400308      1.789826      8.551781
  H      -6.132014      4.093619     10.381076
  H      -5.556451      4.514397      8.754720
  H      -8.237079      3.244553      9.461235
  H      -8.013244      4.926040      9.012223
  H      -6.673479      3.458080      4.306833
  H     -11.152364      2.793993      4.201532
  H     -13.005916      2.793250      5.901349
  H     -12.475727      3.249556      8.297005
  H     -10.160453      3.650826      9.019594
95
Coordinates from ORCA-job orca E -6148.323653577664
  N      -3.754918      2.050673      5.023713
  Mo     -4.374005      3.126102      6.513804
  N      -4.431920      2.388619      8.311241
  C      -3.159548      2.433766      9.022393
  C      -2.012359      2.365973      8.005667
  N      -2.263867      3.275392      6.867032
  C      -1.607851      2.838280      5.603745
  C      -2.368894      1.647842      5.007394
  C      -2.025209      4.692668      7.205641
  C      -2.847846      5.634082      6.343599
  N      -4.176148      5.100906      6.130289
  H      -1.976838      1.466178      3.988058
  H      -2.183620      0.717947      5.581560
  H      -1.711058      3.671947      4.893374
  H      -0.533839      2.630010      5.763327
  H      -2.863460      6.601788      6.890392
  H      -2.303218      5.861141      5.399302
  H      -2.336663      4.805038      8.254950
  H      -0.949437      4.941284      7.130630
  H      -3.062095      1.570050      9.708015
  H      -3.061137      3.348414      9.647389
  H      -1.945120      1.338671      7.624521
  H      -1.052821      2.609447      8.503522
  C      -4.737673      1.743734      4.018097
  C      -5.159926      0.288727      3.863885
  C      -6.539431      0.233091      3.172101
  C      -6.566174      0.680975      1.744119
  N      -6.919726      1.941228      1.513032
  C      -7.044471      2.337786      0.218076
  N      -6.806309      1.618811     -0.864018
  C      -6.376160      0.339806     -0.658530
  C      -6.067148     -0.473944     -1.779911
  C      -5.637303     -1.772052     -1.592833
  C      -5.501000     -2.306734     -0.289648
  C      -5.798682     -1.535556      0.817560
  C      -6.241119     -0.199074      0.660997
  C      -5.083110      6.085717      5.589289
  C      -4.582107      6.833363      4.341656
  C      -4.600543      5.900733      3.126986
  C      -5.882367      5.997286      2.340018
  N      -6.952720      6.450266      2.978077
  C      -8.101242      6.606496      2.267275
  N      -8.261054      6.440586      0.971735
  C      -7.186908      5.927023      0.290646
  C      -7.311786      5.656057     -1.094608
  C      -6.287759      5.017079     -1.769031
  C      -5.103520      4.650662     -1.092912
  C      -4.929442      4.961190      0.242751
  C      -5.958709      5.619818      0.961518
  C      -5.622395      2.356543      9.121485
  C      -6.176360      3.779652      9.373545
  C      -7.603946      3.882768      8.854653
  C      -7.880519      3.533756      7.404817
  N      -6.896395      3.455852      6.446531
  C      -7.365867      3.396664      5.157240
  N      -8.601435      3.241165      4.729069
  C      -9.588025      3.144728      5.681243
  C     -10.911994      2.886519      5.289470
  C     -11.933612      2.866297      6.238455
  C     -11.635758      3.126091      7.585134
  C     -10.331802      3.379451      7.994942
  C      -9.258078      3.361237      7.060018
  H      -4.515874      2.208612      3.035655
  H      -5.562567      2.309073      4.499017
  H      -5.296184     -0.157202      4.863055
  H      -4.412578     -0.320790      3.331057
  H      -6.930110     -0.795939      3.225493
  H      -7.220048      0.892845      3.731782
  H      -7.399549      3.361642      0.070662
  H      -6.184243     -0.038558     -2.774582
  H      -5.400173     -2.399243     -2.456243
  H      -5.157933     -3.336344     -0.162909
  H      -5.686971     -1.958394      1.818770
  H      -6.023945      5.602150      5.299474
  H      -5.348170      6.838451      6.366376
  H      -3.569261      7.235474      4.490437
  H      -5.238643      7.698038      4.169030
  H      -3.754954      6.098002      2.449329
  H      -4.479399      4.849343      3.457769
  H      -8.970807      6.931493      2.849653
  H      -8.251062      5.922039     -1.584001
  H      -6.397640      4.772881     -2.827877
  H      -4.321687      4.114742     -1.635756
  H      -4.005742      4.679145      0.752352
  H      -5.440376      1.827353     10.076635
  H      -6.389330      1.766477      8.592399
  H      -6.146253      4.039182     10.442438
  H      -5.534612      4.500574      8.839960
  H      -8.225447      3.223333      9.484809
  H      -7.992626      4.902540      9.033847
  H      -6.654670      3.503687      4.327184
  H     -11.111462      2.719536      4.228253
  H     -12.962671      2.666487      5.930757
  H     -12.439363      3.131749      8.326592
  H     -10.134619      3.583128      9.047329
95
Coordinates from ORCA-job orca E -6148.324966888518
  N      -3.786361      2.089161      5.017100
  Mo     -4.403454      3.149150      6.520199
  N      -4.434389      2.387787      8.311467
  C      -3.154386      2.438502      9.009479
  C      -2.016829      2.384536      7.982387
  N      -2.285356      3.301821      6.854776
  C      -1.637588      2.880036      5.582415
  C      -2.399136      1.690053      4.987263
  C      -2.051077      4.715904      7.206857
  C      -2.884155      5.663397      6.363067
  N      -4.211091      5.124680      6.154223
  H      -2.016282      1.510321      3.964367
  H      -2.208284      0.759892      5.559006
  H      -1.754495      3.718235      4.879367
  H      -0.560588      2.677985      5.729291
  H      -2.902476      6.623889      6.922808
  H      -2.348991      5.906367      5.418029
  H      -2.354187      4.815650      8.259873
  H      -0.977135      4.970579      7.126370
  H      -3.044354      1.570840      9.688294
  H      -3.057585      3.349269      9.640409
  H      -1.948533      1.360576      7.592636
  H      -1.053629      2.628334      8.472976
  C      -4.771716      1.784873      4.011489
  C      -5.195341      0.330445      3.852409
  C      -6.576716      0.281751      3.164063
  C      -6.598496      0.714634      1.731263
  N      -6.936613      1.976746      1.486591
  C      -7.060386      2.358763      0.186791
  N      -6.836180      1.623485     -0.886825
  C      -6.419782      0.342287     -0.667388
  C      -6.124195     -0.488571     -1.779610
  C      -5.707988     -1.788848     -1.577940
  C      -5.572975     -2.308867     -0.268593
  C      -5.858252     -1.521140      0.829965
  C      -6.286213     -0.181579      0.658221
  C      -5.111306      6.103727      5.589128
  C      -4.596582      6.833267      4.336855
  C      -4.595986      5.878158      3.138967
  C      -5.852604      5.989698      2.314520
  N      -6.932489      6.463627      2.921568
  C      -8.055089      6.644744      2.177738
  N      -8.178565      6.485338      0.877008
  C      -7.097770      5.943838      0.228911
  C      -7.189196      5.669189     -1.158142
  C      -6.165339      4.995591     -1.798526
  C      -5.012771      4.599023     -1.086031
  C      -4.867511      4.915091      0.251927
  C      -5.897780      5.607406      0.936514
  C      -5.606617      2.334018      9.145579
  C      -6.166399      3.749461      9.426040
  C      -7.586027      3.860779      8.885690
  C      -7.857801      3.512352      7.434728
  N      -6.875020      3.458872      6.470254
  C      -7.354792      3.427686      5.181828
  N      -8.587779      3.252818      4.757960
  C      -9.565895      3.109333      5.713902
  C     -10.883203      2.818233      5.324675
  C     -11.900255      2.761635      6.277040
  C     -11.603549      3.021108      7.624097
  C     -10.305352      3.305658      8.031050
  C      -9.233583      3.318806      7.093071
  H      -4.548486      2.252722      3.030910
  H      -5.596518      2.346748      4.492880
  H      -5.330948     -0.118171      4.850432
  H      -4.450233     -0.278467      3.315837
  H      -6.978993     -0.742035      3.228953
  H      -7.249553      0.955022      3.716875
  H      -7.402782      3.385357      0.026833
  H      -6.240061     -0.064196     -2.779158
  H      -5.480998     -2.429212     -2.434332
  H      -5.240949     -3.340592     -0.130339
  H      -5.747974     -1.932559      1.836025
  H      -6.049803      5.618385      5.293428
  H      -5.384720      6.865604      6.353905
  H      -3.588244      7.243623      4.490843
  H      -5.255870      7.690827      4.142367
  H      -3.726355      6.044993      2.484045
  H      -4.507239      4.830880      3.492116
  H      -8.935249      6.986991      2.733723
  H      -8.105781      5.958298     -1.676562
  H      -6.252164      4.747544     -2.858584
  H      -4.231916      4.035850     -1.602058
  H      -3.967576      4.609962      0.790013
  H      -5.397725      1.795294     10.089938
  H      -6.380477      1.743441      8.626929
  H      -6.160054      3.979897     10.501986
  H      -5.515112      4.485382      8.925581
  H      -8.215584      3.205058      9.510747
  H      -7.971754      4.882537      9.061574
  H      -6.653546      3.578165      4.349855
  H     -11.082276      2.657198      4.262437
  H     -12.924737      2.536391      5.971847
  H     -12.404020      3.001826      8.368707
  H     -10.111238      3.508359      9.084029
95
Coordinates from ORCA-job orca E -6148.326481809851
  N      -3.817106      2.129746      5.006351
  Mo     -4.431683      3.179580      6.518583
  N      -4.441623      2.394668      8.304298
  C      -3.154727      2.444979      8.991208
  C      -2.025226      2.399298      7.956272
  N      -2.305068      3.325615      6.838822
  C      -1.663389      2.916768      5.558921
  C      -2.429474      1.731969      4.961021
  C      -2.068461      4.735892      7.204685
  C      -2.905994      5.692542      6.377017
  N      -4.234452      5.154547      6.172310
  H      -2.057329      1.556182      3.933806
  H      -2.235353      0.799459      5.527631
  H      -1.786584      3.761032      4.864162
  H      -0.585166      2.714945      5.696825
  H      -2.922976      6.647118      6.947181
  H      -2.378454      5.945910      5.431377
  H      -2.364555      4.825081      8.260607
  H      -0.994888      4.990939      7.120688
  H      -3.037603      1.573214      9.663719
  H      -3.056277      3.351412      9.628142
  H      -1.960351      1.378539      7.557724
  H      -1.057836      2.638942      8.440625
  C      -4.805890      1.830745      4.001229
  C      -5.235041      0.377295      3.839794
  C      -6.618342      0.334772      3.155440
  C      -6.634440      0.752104      1.717770
  N      -6.958198      2.015334      1.458560
  C      -7.077031      2.382561      0.153638
  N      -6.862896      1.631679     -0.910786
  C      -6.460100      0.348794     -0.676036
  C      -6.173753     -0.498675     -1.777843
  C      -5.770126     -1.800358     -1.560285
  C      -5.639487     -2.305341     -0.244519
  C      -5.916513     -1.501536      0.844305
  C      -6.331211     -0.159702      0.655924
  C      -5.124320      6.132756      5.585710
  C      -4.598050      6.837759      4.324551
  C      -4.583943      5.857735      3.146088
  C      -5.813133      5.986617      2.283352
  N      -6.900607      6.486562      2.856340
  C      -7.993568      6.695159      2.077682
  N      -8.078677      6.540134      0.772672
  C      -6.993716      5.965971      0.160746
  C      -7.049419      5.686627     -1.227272
  C      -6.029040      4.974700     -1.830942
  C      -4.913441      4.544909     -1.080128
  C      -4.798705      4.867252      0.259464
  C      -5.826695      5.597154      0.907133
  C      -5.596218      2.319712      9.161054
  C      -6.161223      3.727312      9.469861
  C      -7.576762      3.846290      8.917737
  C      -7.854570      3.490135      7.469925
  N      -6.880280      3.461061      6.493551
  C      -7.377938      3.448391      5.209835
  N      -8.609017      3.244896      4.798059
  C      -9.570403      3.054099      5.764075
  C     -10.880225      2.719662      5.386249
  C     -11.885544      2.625214      6.347764
  C     -11.584212      2.893706      7.692316
  C     -10.292606      3.219888      8.087733
  C      -9.229030      3.266097      7.140738
  H      -4.578559      2.298654      3.021800
  H      -5.629956      2.393566      4.480428
  H      -5.369580     -0.072001      4.837616
  H      -4.493208     -0.232531      3.299768
  H      -7.031737     -0.683633      3.232324
  H      -7.283732      1.021125      3.700726
  H      -7.405901      3.411505     -0.020108
  H      -6.285841     -0.085565     -2.782527
  H      -5.549971     -2.453396     -2.408799
  H      -5.317611     -3.338488     -0.093604
  H      -5.810027     -1.901159      1.855453
  H      -6.065157      5.650715      5.290281
  H      -5.397136      6.906676      6.338004
  H      -3.592727      7.254130      4.479518
  H      -5.258358      7.688779      4.107713
  H      -3.690971      5.989659      2.515122
  H      -4.531717      4.816214      3.522197
  H      -8.882779      7.059389      2.604487
  H      -7.939284      6.001290     -1.776441
  H      -6.091502      4.722224     -2.891643
  H      -4.136092      3.951995     -1.567362
  H      -3.926471      4.537000      0.827565
  H      -5.360699      1.772153     10.094218
  H      -6.376861      1.728675      8.653015
  H      -6.172951      3.930214     10.551338
  H      -5.503672      4.476883      8.998825
  H      -8.210688      3.198833      9.545923
  H      -7.957046      4.871411      9.087533
  H      -6.691701      3.640428      4.373668
  H     -11.084045      2.557622      4.325035
  H     -12.904732      2.366175      6.052030
  H     -12.376482      2.848525      8.444523
  H     -10.097273      3.428607      9.139147
95
Coordinates from ORCA-job orca E -6148.327950917402
  N      -3.851711      2.170994      4.996072
  Mo     -4.462764      3.208978      6.519447
  N      -4.449377      2.399722      8.298723
  C      -3.155092      2.449533      8.973256
  C      -2.034953      2.412379      7.929351
  N      -2.327140      3.348201      6.822623
  C      -1.692538      2.952932      5.534627
  C      -2.463913      1.774626      4.932514
  C      -2.085706      4.754621      7.201269
  C      -2.927837      5.719695      6.389240
  N      -4.258736      5.183174      6.192663
  H      -2.104065      1.605282      3.900138
  H      -2.265591      0.838339      5.491322
  H      -1.821578      3.804184      4.849503
  H      -0.613361      2.750486      5.663273
  H      -2.941213      6.669509      6.967590
  H      -2.409596      5.980403      5.441343
  H      -2.373318      4.834450      8.260225
  H      -1.012298      5.008573      7.112052
  H      -3.030507      1.573779      9.639308
  H      -3.054054      3.351576      9.615974
  H      -1.974343      1.395057      7.521498
  H      -1.062709      2.647799      8.405759
  C      -4.843895      1.878573      3.992111
  C      -5.278639      0.426326      3.826863
  C      -6.663442      0.388762      3.145513
  C      -6.673998      0.795323      1.704404
  N      -6.984100      2.059669      1.434470
  C      -7.096244      2.416706      0.125764
  N      -6.890032      1.654571     -0.931863
  C      -6.500448      0.369724     -0.685629
  C      -6.221312     -0.490163     -1.779439
  C      -5.829560     -1.793394     -1.549951
  C      -5.704569     -2.287718     -0.229482
  C      -5.975390     -1.471988      0.851863
  C      -6.377671     -0.127909      0.650931
  C      -5.143063      6.158998      5.590352
  C      -4.614100      6.839753      4.317459
  C      -4.584506      5.833394      3.160714
  C      -5.783168      5.972509      2.257509
  N      -6.879191      6.496793      2.792098
  C      -7.939960      6.725795      1.976790
  N      -7.983491      6.569252      0.669497
  C      -6.893212      5.964743      0.097783
  C      -6.909407      5.676138     -1.289424
  C      -5.890557      4.929578     -1.852564
  C      -4.813560      4.474801     -1.061292
  C      -4.733394      4.807513      0.278331
  C      -5.761353      5.571388      0.885221
  C      -5.584749      2.306759      9.178864
  C      -6.151185      3.708229      9.513042
  C      -7.561524      3.840165      8.947499
  C      -7.843557      3.476555      7.502534
  N      -6.875737      3.468812      6.516897
  C      -7.387859      3.466868      5.236914
  N      -8.615527      3.234784      4.834780
  C      -9.561660      3.003282      5.808356
  C     -10.861887      2.626447      5.438954
  C     -11.856944      2.497646      6.406909
  C     -11.554797      2.777525      7.749260
  C     -10.271950      3.144650      8.136103
  C      -9.214970      3.221350      7.182899
  H      -4.612844      2.347230      3.014011
  H      -5.666963      2.442723      4.469940
  H      -5.411209     -0.024577      4.824211
  H      -4.539829     -0.183198      3.282424
  H      -7.085244     -0.625432      3.230509
  H      -7.323582      1.084391      3.685059
  H      -7.411976      3.448064     -0.058243
  H      -6.328584     -0.085027     -2.787892
  H      -5.614618     -2.455832     -2.392445
  H      -5.392255     -3.322350     -0.069042
  H      -5.873783     -1.863169      1.866740
  H      -6.087317      5.678375      5.301934
  H      -5.411110      6.944677      6.331661
  H      -3.613439      7.267771      4.469233
  H      -5.280539      7.679866      4.079044
  H      -3.669446      5.932165      2.556059
  H      -4.566052      4.799692      3.560211
  H      -8.838935      7.110953      2.471030
  H      -7.771071      6.010238     -1.871113
  H      -5.925530      4.669390     -2.912641
  H      -4.037691      3.855422     -1.516940
  H      -3.889983      4.458783      0.878085
  H      -5.323229      1.752537     10.101168
  H      -6.373434      1.715421      8.683438
  H      -6.180846      3.885212     10.598805
  H      -5.484950      4.467448      9.070952
  H      -8.203316      3.203983      9.578103
  H      -7.932584      4.870168      9.109825
  H      -6.714626      3.693576      4.398312
  H     -11.067650      2.460886      4.378631
  H     -12.869083      2.205263      6.118351
  H     -12.340185      2.708935      8.506888
  H     -10.078500      3.361439      9.186114
95
Coordinates from ORCA-job orca E -6148.329494785057
  N      -3.884574      2.213725      4.982977
  Mo     -4.492503      3.241714      6.515660
  N      -4.458594      2.408291      8.288618
  C      -3.157497      2.455906      8.952217
  C      -2.045604      2.425900      7.900749
  N      -2.347975      3.371342      6.804164
  C      -1.718827      2.988610      5.508967
  C      -2.496812      1.818405      4.901203
  C      -2.100151      4.773968      7.195594
  C      -2.945392      5.748257      6.398508
  N      -4.279487      5.214604      6.209144
  H      -2.149413      1.656279      3.863720
  H      -2.295259      0.877741      5.451363
  H      -1.850482      3.847253      4.833619
  H      -0.639409      2.783449      5.630336
  H      -2.954729      6.693594      6.984380
  H      -2.435637      6.015169      5.448664
  H      -2.379988      4.844911      8.257191
  H      -1.026549      5.025401      7.101971
  H      -3.027357      1.576047      9.611878
  H      -3.053360      3.353308      9.600876
  H      -1.990152      1.412064      7.483600
  H      -1.068747      2.656055      8.369978
  C      -4.880627      1.928763      3.980136
  C      -5.322755      0.478043      3.812321
  C      -6.709491      0.445537      3.134965
  C      -6.715114      0.839556      1.690024
  N      -7.012297      2.104437      1.407866
  C      -7.117728      2.449396      0.095004
  N      -6.919421      1.674887     -0.954791
  C      -6.542880      0.388647     -0.695459
  C      -6.271087     -0.484904     -1.780017
  C      -5.890966     -1.789127     -1.536982
  C      -5.771320     -2.270962     -0.211315
  C      -6.035823     -1.442051      0.861408
  C      -6.425809     -0.096238      0.646195
  C      -5.155776      6.190167      5.590839
  C      -4.622440      6.844352      4.306236
  C      -4.579237      5.811833      3.172157
  C      -5.745027      5.961614      2.228183
  N      -6.848449      6.510685      2.722346
  C      -7.873760      6.760277      1.869559
  N      -7.873545      6.602007      0.561147
  C      -6.779371      5.967147      0.031626
  C      -6.753986      5.669344     -1.353566
  C      -5.738393      4.888766     -1.874961
  C      -4.703672      4.409256     -1.043012
  C      -4.659956      4.751967      0.295831
  C      -5.686313      5.549190      0.860727
  C      -5.575378      2.296038      9.190601
  C      -6.144924      3.690097      9.551185
  C      -7.552672      3.833276      8.978589
  C      -7.845227      3.461692      7.538105
  N      -6.889884      3.481026      6.538793
  C      -7.422451      3.487841      5.265622
  N      -8.646434      3.222057      4.878104
  C      -9.570008      2.945464      5.863014
  C     -10.859059      2.521459      5.507248
  C     -11.837558      2.353530      6.485701
  C     -11.530370      2.644675      7.824885
  C     -10.257745      3.057362      8.198014
  C      -9.213070      3.169881      7.234091
  H      -4.644934      2.396996      3.003067
  H      -5.702374      2.495729      4.455480
  H      -5.453010      0.026520      4.809669
  H      -4.587578     -0.131973      3.263574
  H      -7.140078     -0.563982      3.229584
  H      -7.363708      1.151278      3.668212
  H      -7.420126      3.482683     -0.100729
  H      -6.373815     -0.089181     -2.792672
  H      -5.681340     -2.461889     -2.372542
  H      -5.468469     -3.306643     -0.040018
  H      -5.938943     -1.823361      1.880414
  H      -6.104842      5.713396      5.309801
  H      -5.416726      6.988371      6.320717
  H      -3.625577      7.281835      4.454411
  H      -5.293088      7.674278      4.046015
  H      -3.643064      5.876356      2.596043
  H      -4.596818      4.787157      3.593701
  H      -8.781488      7.166811      2.329353
  H      -7.584576      6.022693     -1.968139
  H      -5.744428      4.621172     -2.933721
  H      -3.930604      3.763872     -1.466156
  H      -3.848079      4.385036      0.927418
  H      -5.287988      1.735331     10.101296
  H      -6.370759      1.703650      8.706993
  H      -6.188966      3.841228     10.640456
  H      -5.472996      4.459308      9.136225
  H      -8.198699      3.208093      9.614702
  H      -7.914861      4.867668      9.134829
  H      -6.767670      3.752832      4.423279
  H     -11.070729      2.352570      4.448596
  H     -12.841353      2.024107      6.208376
  H     -12.304387      2.548817      8.591179
  H     -10.062813      3.281781      9.246025
95
Coordinates from ORCA-job orca E -6148.331017525259
  N      -3.914927      2.253443      4.967140
  Mo     -4.521524      3.268305      6.509867
  N      -4.466548      2.408972      8.274652
  C      -3.159059      2.453753      8.927687
  C      -2.055456      2.434461      7.869014
  N      -2.368929      3.391573      6.785276
  C      -1.744438      3.025060      5.482686
  C      -2.526627      1.862130      4.867220
  C      -2.117801      4.790038      7.192529
  C      -2.967538      5.773430      6.411064
  N      -4.303838      5.240758      6.226243
  H      -2.191447      1.710579      3.824440
  H      -2.319503      0.916159      5.406124
  H      -1.879515      3.891764      4.818496
  H      -0.664576      2.818943      5.597056
  H      -2.974605      6.713269      7.005620
  H      -2.465751      6.048674      5.460096
  H      -2.391067      4.849077      8.256489
  H      -1.044530      5.041464      7.096002
  H      -3.023022      1.568887      9.579381
  H      -3.052492      3.345466      9.583684
  H      -2.003633      1.425343      7.440062
  H      -1.074543      2.659781      8.331663
  C      -4.914290      1.974663      3.964503
  C      -5.359479      0.524301      3.794991
  C      -6.748760      0.491793      3.123169
  C      -6.753249      0.872108      1.674372
  N      -7.045060      2.135420      1.379611
  C      -7.146335      2.467190      0.062684
  N      -6.951710      1.681249     -0.978940
  C      -6.581196      0.395944     -0.706230
  C      -6.312539     -0.489942     -1.781304
  C      -5.936893     -1.792795     -1.524480
  C      -5.819274     -2.260989     -0.193708
  C      -6.081339     -1.420105      0.870116
  C      -6.466535     -0.075081      0.640434
  C      -5.176091      6.216792      5.599857
  C      -4.643380      6.852467      4.306362
  C      -4.583861      5.798529      3.192056
  C      -5.716267      5.956330      2.209655
  N      -6.825629      6.527801      2.664580
  C      -7.815771      6.794696      1.777234
  N      -7.773671      6.632837      0.469588
  C      -6.677567      5.969654     -0.019190
  C      -6.614256      5.659529     -1.400404
  C      -5.604367      4.846481     -1.881427
  C      -4.610716      4.346848     -1.012084
  C      -4.600191      4.702227      0.324131
  C      -5.622602      5.531384      0.848380
  C      -5.565390      2.278875      9.196772
  C      -6.132257      3.667320      9.582043
  C      -7.535538      3.830514      8.999882
  C      -7.839461      3.447753      7.564919
  N      -6.895748      3.484726      6.553206
  C      -7.447257      3.502727      5.286451
  N      -8.668767      3.214391      4.912365
  C      -9.571909      2.902488      5.906781
  C     -10.852194      2.445047      5.562466
  C     -11.816020      2.248090      6.549700
  C     -11.503120      2.546810      7.886189
  C     -10.238521      2.991951      8.247764
  C      -9.204639      3.130307      7.274836
  H      -4.675002      2.443015      2.988325
  H      -5.735750      2.542941      4.436749
  H      -5.484469      0.072092      4.792674
  H      -4.626543     -0.084215      3.241657
  H      -7.183796     -0.514630      3.228384
  H      -7.399304      1.205022      3.650597
  H      -7.440518      3.500710     -0.144928
  H      -6.413362     -0.104609     -2.798107
  H      -5.729340     -2.474898     -2.352856
  H      -5.520157     -3.295824     -0.011394
  H      -5.986543     -1.790680      1.893159
  H      -6.129530      5.742831      5.326876
  H      -5.429344      7.023220      6.322899
  H      -3.652280      7.303945      4.450756
  H      -5.322646      7.669347      4.028809
  H      -3.628618      5.833995      2.645713
  H      -4.634144      4.782746      3.630989
  H      -8.730700      7.220724      2.203750
  H      -7.414646      6.028403     -2.045110
  H      -5.584095      4.569075     -2.937433
  H      -3.842536      3.676229     -1.403657
  H      -3.819623      4.319530      0.985192
  H      -5.255165      1.711318     10.095504
  H      -6.368527      1.687755      8.724128
  H      -6.190532      3.794231     10.673830
  H      -5.450016      4.441247      9.194177
  H      -8.191678      3.224152      9.642489
  H      -7.880321      4.872578      9.145682
  H      -6.808775      3.798719      4.441465
  H     -11.070010      2.275249      4.505221
  H     -12.813240      1.892174      6.281939
  H     -12.267066      2.431480      8.659802
  H     -10.041917      3.221990      9.294133
95
Coordinates from ORCA-job orca E -6148.332703058610
  N      -3.949294      2.289327      4.951773
  Mo     -4.552033      3.294780      6.503569
  N      -4.477330      2.410777      8.259832
  C      -3.163184      2.450305      8.901858
  C      -2.068181      2.438143      7.835869
  N      -2.390095      3.406203      6.763845
  C      -1.772267      3.052873      5.454209
  C      -2.561824      1.899225      4.832496
  C      -2.130163      4.799971      7.183824
  C      -2.981581      5.793117      6.417131
  N      -4.321946      5.265745      6.240899
  H      -2.240349      1.757591      3.784306
  H      -2.350581      0.947510      5.359609
  H      -1.908213      3.927492      4.800802
  H      -0.692549      2.842665      5.561253
  H      -2.981908      6.728822      7.017977
  H      -2.488650      6.072472      5.463362
  H      -2.395397      4.850236      8.250183
  H      -1.056431      5.047161      7.082549
  H      -3.023316      1.560766      9.546268
  H      -3.051851      3.336544      9.564406
  H      -2.022522      1.433338      7.396135
  H      -1.082597      2.656940      8.291206
  C      -4.952390      2.017990      3.950280
  C      -5.404365      0.568960      3.781780
  C      -6.793890      0.538268      3.110884
  C      -6.790551      0.908285      1.659222
  N      -7.076112      2.170373      1.353796
  C      -7.163336      2.493339      0.033362
  N      -6.963635      1.699821     -1.001219
  C      -6.601023      0.414713     -0.716572
  C      -6.327156     -0.479752     -1.783009
  C      -5.957498     -1.781825     -1.513945
  C      -5.851730     -2.240756     -0.178874
  C      -6.119557     -1.391590      0.876779
  C      -6.498737     -0.046905      0.634240
  C      -5.189825      6.245453      5.611139
  C      -4.663120      6.861300      4.305896
  C      -4.592315      5.787759      3.210047
  C      -5.693322      5.950485      2.193470
  N      -6.806608      6.543224      2.610714
  C      -7.764978      6.819641      1.692705
  N      -7.686640      6.646895      0.387782
  C      -6.590490      5.956937     -0.061629
  C      -6.494548      5.628401     -1.436670
  C      -5.491157      4.785714     -1.878319
  C      -4.534292      4.274577     -0.974845
  C      -4.552308      4.648347      0.356274
  C      -5.569691      5.507207      0.840714
  C      -5.558541      2.263887      9.201343
  C      -6.120193      3.646922      9.611601
  C      -7.518069      3.834164      9.019598
  C      -7.833461      3.439054      7.590914
  N      -6.901373      3.493538      6.567578
  C      -7.471239      3.522850      5.307415
  N      -8.689827      3.213366      4.945821
  C      -9.572129      2.866736      5.948405
  C     -10.843139      2.378140      5.613926
  C     -11.791976      2.151352      6.608909
  C     -11.473687      2.454246      7.943537
  C     -10.217754      2.929840      8.295129
  C      -9.195062      3.095766      7.313928
  H      -4.708237      2.483903      2.974221
  H      -5.772265      2.591178      4.418172
  H      -5.527049      0.118454      4.780493
  H      -4.673753     -0.040778      3.226750
  H      -7.234085     -0.465020      3.223099
  H      -7.442503      1.258145      3.631301
  H      -7.448531      3.527347     -0.184543
  H      -6.418546     -0.101567     -2.803333
  H      -5.745582     -2.470356     -2.335761
  H      -5.557401     -3.275134      0.013213
  H      -6.034448     -1.754862      1.903157
  H      -6.150918      5.777732      5.352475
  H      -5.427940      7.061099      6.328509
  H      -3.677187      7.326592      4.441876
  H      -5.352057      7.664757      4.014418
  H      -3.621381      5.795558      2.691091
  H      -4.672609      4.781305      3.664291
  H      -8.685024      7.264366      2.087716
  H      -7.267726      6.006200     -2.108739
  H      -5.448404      4.493788     -2.929675
  H      -3.771729      3.580597     -1.335365
  H      -3.800167      4.256392      1.044271
  H      -5.226836      1.688819     10.087298
  H      -6.369676      1.675180      8.739023
  H      -6.192544      3.749773     10.705192
  H      -5.425913      4.423197      9.251315
  H      -8.186809      3.250640      9.668965
  H      -7.841347      4.884931      9.152859
  H      -6.848724      3.849747      4.461833
  H     -11.066869      2.209475      4.557765
  H     -12.782048      1.770508      6.349483
  H     -12.227285      2.318243      8.723826
  H     -10.019831      3.162584      9.340569
95
Coordinates from ORCA-job orca E -6148.334316111489
  N      -3.981014      2.323051      4.935622
  Mo     -4.580613      3.317565      6.496989
  N      -4.485534      2.409247      8.243961
  C      -3.164925      2.444103      8.875066
  C      -2.078506      2.441267      7.801835
  N      -2.410191      3.420749      6.742672
  C      -1.798771      3.082488      5.425722
  C      -2.593791      1.936810      4.797229
  C      -2.144288      4.809919      7.177036
  C      -2.999761      5.812468      6.426968
  N      -4.343190      5.288029      6.257207
  H      -2.285608      1.806505      3.743816
  H      -2.376657      0.979522      5.311781
  H      -1.937059      3.964994      4.783584
  H      -0.718852      2.870067      5.525247
  H      -2.995408      6.742758      7.035922
  H      -2.516117      6.099215      5.471109
  H      -2.401664      4.849178      8.245700
  H      -1.070668      5.055421      7.071311
  H      -3.020412      1.549673      9.511548
  H      -3.049481      3.324538      9.544551
  H      -2.037584      1.441384      7.350476
  H      -1.088675      2.654666      8.250095
  C      -4.988370      2.057547      3.935574
  C      -5.444646      0.609134      3.768521
  C      -6.835328      0.577584      3.100512
  C      -6.827780      0.933569      1.645138
  N      -7.110643      2.192826      1.326036
  C      -7.189855      2.502437      0.001676
  N      -6.987333      1.698472     -1.023962
  C      -6.628896      0.415373     -0.724693
  C      -6.352349     -0.490539     -1.780555
  C      -5.985704     -1.790279     -1.496559
  C      -5.886285     -2.235535     -0.156341
  C      -6.157235     -1.375178      0.889320
  C      -6.533015     -0.032294      0.631137
  C      -5.209249      6.271725      5.628413
  C      -4.689458      6.873950      4.314363
  C      -4.606496      5.785750      3.233096
  C      -5.673420      5.956971      2.182235
  N      -6.787286      6.575098      2.560067
  C      -7.709811      6.865027      1.610824
  N      -7.593514      6.682165      0.309912
  C      -6.500801      5.962532     -0.098970
  C      -6.371380      5.616751     -1.467037
  C      -5.379509      4.741146     -1.868432
  C      -4.464944      4.214227     -0.930724
  C      -4.511810      4.605122      0.394731
  C      -5.519481      5.496589      0.838549
  C      -5.550190      2.247734      9.202982
  C      -6.105725      3.626509      9.634026
  C      -7.497544      3.838836      9.031800
  C      -7.823496      3.430947      7.609525
  N      -6.902036      3.501596      6.575967
  C      -7.488068      3.541322      5.321813
  N      -8.703263      3.212223      4.971056
  C      -9.565944      2.833546      5.980139
  C     -10.827284      2.316209      5.653393
  C     -11.761771      2.060463      6.654524
  C     -11.439276      2.365445      7.988029
  C     -10.192634      2.869319      8.331786
  C      -9.180751      3.062880      7.343776
  H      -4.741013      2.521495      2.959457
  H      -5.807461      2.634033      4.400058
  H      -5.563156      0.160473      4.768532
  H      -4.715897     -0.000899      3.211357
  H      -7.279170     -0.422883      3.222540
  H      -7.481927      1.304290      3.613665
  H      -7.468899      3.535525     -0.228601
  H      -6.438818     -0.122962     -2.805158
  H      -5.771461     -2.487478     -2.310357
  H      -5.594604     -3.268346      0.047670
  H      -6.077653     -1.727781      1.919770
  H      -6.176840      5.809451      5.382656
  H      -5.433425      7.093173      6.343262
  H      -3.709006      7.352640      4.443953
  H      -5.388235      7.664648      4.012334
  H      -3.620506      5.768329      2.743733
  H      -4.717597      4.787205      3.697071
  H      -8.632438      7.331886      1.972833
  H      -7.113235      6.006959     -2.166713
  H      -5.313880      4.435635     -2.914698
  H      -3.711794      3.494825     -1.259805
  H      -3.792353      4.200674      1.109891
  H      -5.199536      1.666287     10.077132
  H      -6.368814      1.661376      8.750543
  H      -6.191684      3.708910     10.728481
  H      -5.398883      4.402601      9.299029
  H      -8.179968      3.280272      9.687553
  H      -7.797214      4.898375      9.151115
  H      -6.879489      3.894969      4.476294
  H     -11.055927      2.149391      4.597996
  H     -12.744269      1.656484      6.401697
  H     -12.182924      2.208619      8.773887
  H      -9.993986      3.102530      9.376962
95
Coordinates from ORCA-job orca E -6148.340984924197
  N      -4.010517      2.281598      4.917297
  Mo     -4.612966      3.274023      6.490063
  N      -4.456276      2.351417      8.230671
  C      -3.125687      2.395324      8.846878
  C      -2.058263      2.416790      7.758266
  N      -2.423469      3.401284      6.709716
  C      -1.823782      3.080998      5.382023
  C      -2.612554      1.928196      4.756726
  C      -2.159571      4.793137      7.155250
  C      -3.044997      5.790294      6.424504
  N      -4.394286      5.254703      6.265208
  H      -2.322150      1.811912      3.696798
  H      -2.366854      0.970673      5.257604
  H      -1.975656      3.967807      4.751117
  H      -0.741113      2.880366      5.469229
  H      -3.043429      6.719812      7.031740
  H      -2.580893      6.078899      5.459703
  H      -2.396752      4.821458      8.228201
  H      -1.090411      5.047093      7.033866
  H      -2.961205      1.500144      9.475924
  H      -3.012374      3.271851      9.520384
  H      -2.010457      1.424157      7.291295
  H      -1.064261      2.642423      8.186433
  C      -5.021554      1.976927      3.924161
  C      -5.422000      0.508655      3.791008
  C      -6.827321      0.377354      3.162501
  C      -6.901279      0.739602      1.713276
  N      -7.305338      1.973490      1.430390
  C      -7.456273      2.294447      0.116975
  N      -7.220857      1.530160     -0.931879
  C      -6.746081      0.276284     -0.669301
  C      -6.433528     -0.585765     -1.750762
  C      -5.950751     -1.854498     -1.505154
  C      -5.767091     -2.312253     -0.178700
  C      -6.070649     -1.494934      0.891620
  C      -6.564758     -0.184546      0.672460
  C      -5.297331      6.232282      5.672261
  C      -4.817445      6.898906      4.371192
  C      -4.654890      5.888668      3.221997
  C      -5.704413      6.002741      2.145495
  N      -6.896351      6.471755      2.492430
  C      -7.808240      6.682100      1.510792
  N      -7.622856      6.558781      0.212338
  C      -6.432369      6.004438     -0.170024
  C      -6.200066      5.745339     -1.543089
  C      -5.078600      5.040809     -1.932801
  C      -4.138152      4.599105     -0.974857
  C      -4.300599      4.907179      0.361583
  C      -5.440585      5.628704      0.792309
  C      -5.518143      2.180484      9.200809
  C      -6.057332      3.564169      9.619248
  C      -7.447142      3.824041      9.030786
  C      -7.813606      3.424343      7.617037
  N      -6.909941      3.450913      6.562185
  C      -7.524922      3.551784      5.320758
  N      -8.762750      3.301835      4.996664
  C      -9.619099      2.953974      6.017132
  C     -10.916441      2.522083      5.708507
  C     -11.843548      2.302887      6.723608
  C     -11.475072      2.560194      8.054932
  C     -10.193694      2.981869      8.379795
  C      -9.192409      3.134350      7.374099
  H      -4.800506      2.432353      2.937936
  H      -5.857826      2.527235      4.371527
  H      -5.487230      0.070324      4.800128
  H      -4.670580     -0.065572      3.226398
  H      -7.192076     -0.651142      3.303198
  H      -7.510769      1.054537      3.693792
  H      -7.829119      3.302820     -0.080875
  H      -6.586442     -0.211070     -2.763899
  H      -5.709128     -2.516907     -2.338555
  H      -5.384555     -3.319454     -0.005061
  H      -5.925903     -1.856685      1.910328
  H      -6.251807      5.737474      5.445139
  H      -5.532053      7.032025      6.407169
  H      -3.866430      7.429894      4.522698
  H      -5.563361      7.658399      4.106962
  H      -3.663478      5.979992      2.753516
  H      -4.683956      4.862292      3.628694
  H      -8.793854      7.020066      1.846220
  H      -6.957260      6.065373     -2.260193
  H      -4.925151      4.801657     -2.986196
  H      -3.277446      4.010839     -1.297285
  H      -3.564116      4.571315      1.093476
  H      -5.160418      1.604482     10.072871
  H      -6.340145      1.593292      8.755493
  H      -6.129394      3.661250     10.713433
  H      -5.334907      4.318209      9.270657
  H      -8.149737      3.303086      9.693583
  H      -7.694956      4.896555      9.145297
  H      -6.917788      3.893776      4.474208
  H     -11.176420      2.392844      4.656245
  H     -12.853107      1.964962      6.485737
  H     -12.209536      2.432716      8.853066
  H      -9.962554      3.181570      9.424846
95
Coordinates from ORCA-job orca E -6148.343392757544
  N      -4.066409      2.312121      4.922699
  Mo     -4.654935      3.314605      6.513707
  N      -4.442442      2.358285      8.251035
  C      -3.099740      2.387037      8.851714
  C      -2.051901      2.410261      7.746354
  N      -2.434213      3.408069      6.703049
  C      -1.849208      3.089820      5.361690
  C      -2.664387      1.956465      4.736666
  C      -2.135434      4.800182      7.156383
  C      -3.029881      5.811892      6.446854
  N      -4.402134      5.295133      6.313191
  H      -2.395760      1.844333      3.670698
  H      -2.420401      0.994375      5.228084
  H      -1.992506      3.986965      4.744634
  H      -0.768738      2.873438      5.436810
  H      -3.011177      6.743078      7.051137
  H      -2.588872      6.090215      5.470358
  H      -2.347882      4.830084      8.233581
  H      -1.064422      5.033162      7.015543
  H      -2.929405      1.485416      9.470031
  H      -2.973569      3.254219      9.533583
  H      -2.021706      1.424101      7.264588
  H      -1.047228      2.626126      8.150537
  C      -5.086116      2.003965      3.932181
  C      -5.484470      0.533552      3.794479
  C      -6.887410      0.390999      3.161163
  C      -6.953662      0.802202      1.722623
  N      -7.366907      2.044807      1.487333
  C      -7.497103      2.417964      0.187420
  N      -7.240262      1.703880     -0.891219
  C      -6.761890      0.441357     -0.672817
  C      -6.427605     -0.373370     -1.782511
  C      -5.939862     -1.648128     -1.583701
  C      -5.772361     -2.160023     -0.275455
  C      -6.097026     -1.390149      0.822825
  C      -6.596649     -0.074630      0.650170
  C      -5.326573      6.276705      5.740365
  C      -4.898812      6.904580      4.401191
  C      -4.751341      5.878319      3.259594
  C      -5.815784      5.894838      2.187763
  N      -7.036341      6.312638      2.497971
  C      -7.946204      6.404444      1.493474
  N      -7.744926      6.206800      0.205072
  C      -6.516716      5.714614     -0.131783
  C      -6.246123      5.392712     -1.485177
  C      -5.069091      4.758104     -1.822552
  C      -4.110231      4.444692     -0.831697
  C      -4.319152      4.810875      0.481734
  C      -5.515740      5.467280      0.857650
  C      -5.495117      2.181894      9.242115
  C      -6.032215      3.565116      9.659518
  C      -7.406091      3.830834      9.055468
  C      -7.718233      3.424019      7.637279
  N      -6.757165      3.409894      6.633305
  C      -7.303031      3.522626      5.359448
  N      -8.522624      3.304324      4.970370
  C      -9.441672      2.986030      5.946083
  C     -10.730023      2.583855      5.567223
  C     -11.717145      2.394068      6.527493
  C     -11.417755      2.651714      7.877123
  C     -10.147733      3.044674      8.270537
  C      -9.088448      3.165396      7.321838
  H      -4.867616      2.456214      2.945278
  H      -5.933393      2.542870      4.361514
  H      -5.541895      0.087048      4.799945
  H      -4.723365     -0.020647      3.222683
  H      -7.239442     -0.643768      3.281706
  H      -7.582871      1.047350      3.701322
  H      -7.871173      3.431741      0.028154
  H      -6.567512      0.041305     -2.781213
  H      -5.682061     -2.272317     -2.440221
  H      -5.386185     -3.170478     -0.138146
  H      -5.965810     -1.792067      1.827172
  H      -6.285167      5.771805      5.569520
  H      -5.533059      7.091814      6.465280
  H      -3.947875      7.444704      4.507791
  H      -5.664600      7.648571      4.147551
  H      -3.772940      5.990663      2.770950
  H      -4.735271      4.862487      3.697390
  H      -8.953857      6.703555      1.796708
  H      -7.012923      5.614039     -2.228010
  H      -4.882579      4.474717     -2.858860
  H      -3.201386      3.910942     -1.111185
  H      -3.572052      4.576789      1.240413
  H      -5.129214      1.600091     10.106617
  H      -6.320207      1.599583      8.797799
  H      -6.115726      3.671049     10.752171
  H      -5.304118      4.315107      9.314507
  H      -8.138689      3.326817      9.697582
  H      -7.639235      4.908432      9.152575
  H      -6.632505      3.845108      4.559699
  H     -10.931985      2.454416      4.503144
  H     -12.719085      2.079217      6.235557
  H     -12.197902      2.547297      8.632952
  H      -9.973750      3.244208      9.326065
95
Coordinates from ORCA-job orca E -6148.350851778864
  N      -4.066509      2.247618      4.904392
  Mo     -4.681092      3.262235      6.480021
  N      -4.452855      2.308559      8.215896
  C      -3.118793      2.338140      8.818220
  C      -2.072395      2.368229      7.720878
  N      -2.460008      3.364128      6.686167
  C      -1.863412      3.052582      5.356243
  C      -2.662370      1.911409      4.730608
  C      -2.173438      4.755551      7.139530
  C      -3.069838      5.759918      6.416762
  N      -4.438912      5.242945      6.277110
  H      -2.391611      1.804190      3.664820
  H      -2.406909      0.950438      5.219272
  H      -2.001490      3.948789      4.736866
  H      -0.783247      2.841778      5.445168
  H      -3.058942      6.697017      7.009263
  H      -2.627351      6.026688      5.436248
  H      -2.391184      4.785436      8.215802
  H      -1.103589      4.993374      7.003077
  H      -2.950107      1.439226      9.439849
  H      -2.997955      3.207596      9.498163
  H      -2.034198      1.386281      7.230663
  H      -1.069500      2.591523      8.124429
  C      -5.057899      1.901765      3.896738
  C      -5.412342      0.421002      3.781372
  C      -6.798501      0.254238      3.126292
  C      -6.837128      0.711244      1.700472
  N      -7.260570      1.957440      1.498541
  C      -7.339677      2.383181      0.210077
  N      -7.026497      1.717736     -0.884991
  C      -6.545745      0.450743     -0.697764
  C      -6.157445     -0.314823     -1.824818
  C      -5.664122     -1.591940     -1.657664
  C      -5.543764     -2.155014     -0.365552
  C      -5.920956     -1.433358      0.748600
  C      -6.428394     -0.117636      0.608612
  C      -5.369122      6.227128      5.724211
  C      -4.947945      6.863531      4.390050
  C      -4.806301      5.845674      3.242980
  C      -5.871368      5.896107      2.177754
  N      -7.069791      6.365235      2.497600
  C      -7.984986      6.494701      1.501406
  N      -7.808086      6.281165      0.212253
  C      -6.602987      5.739806     -0.135880
  C      -6.365680      5.400533     -1.490523
  C      -5.214408      4.730352     -1.843233
  C      -4.248431      4.392766     -0.866241
  C      -4.427762      4.765156      0.449847
  C      -5.598299      5.460161      0.841997
  C      -5.501978      2.146457      9.212884
  C      -6.002122      3.536707      9.648516
  C      -7.378759      3.865613      9.083349
  C      -7.758358      3.483114      7.675280
  N      -6.838111      3.451367      6.629595
  C      -7.442538      3.628901      5.383523
  N      -8.685090      3.471772      5.045966
  C      -9.572588      3.163051      6.050946
  C     -10.894297      2.834065      5.718475
  C     -11.846449      2.659697      6.715541
  C     -11.475080      2.860248      8.056898
  C     -10.172196      3.183054      8.403623
  C      -9.149690      3.286459      7.412821
  H      -4.828979      2.337648      2.903090
  H      -5.931351      2.423419      4.282102
  H      -5.465987     -0.017040      4.790606
  H      -4.630636     -0.118661      3.222897
  H      -7.129395     -0.790658      3.218475
  H      -7.517944      0.884249      3.667955
  H      -7.713736      3.402193      0.077217
  H      -6.260629      0.138486     -2.811236
  H      -5.364591     -2.178240     -2.527551
  H      -5.152065     -3.166652     -0.253304
  H      -5.826391     -1.874553      1.740878
  H      -6.332457      5.726114      5.570576
  H      -5.554966      7.041616      6.454907
  H      -3.997064      7.404756      4.502250
  H      -5.714445      7.610446      4.138964
  H      -3.826344      5.943417      2.756262
  H      -4.806845      4.827607      3.678024
  H      -8.974952      6.839727      1.815098
  H      -7.136647      5.643194     -2.222351
  H      -5.051778      4.438920     -2.881697
  H      -3.359661      3.831924     -1.158093
  H      -3.678690      4.504897      1.197940
  H      -5.131173      1.559120     10.069826
  H      -6.341733      1.576811      8.778700
  H      -6.058003      3.636279     10.743934
  H      -5.256344      4.265910      9.296976
  H      -8.113499      3.388294      9.742435
  H      -7.560363      4.951691      9.195749
  H      -6.791885      3.950170      4.569239
  H     -11.148070      2.749027      4.660841
  H     -12.874361      2.400581      6.460879
  H     -12.225214      2.767819      8.844256
  H      -9.946046      3.341959      9.456390
95
Coordinates from ORCA-job orca E -6148.349903257840
  N      -4.110017      2.290430      4.865334
  Mo     -4.680195      3.326926      6.445658
  N      -4.481101      2.342791      8.163898
  C      -3.154310      2.321745      8.765321
  C      -2.109051      2.318091      7.669175
  N      -2.458231      3.332133      6.649779
  C      -1.880997      3.010950      5.321463
  C      -2.723641      1.908312      4.690029
  C      -2.111445      4.698488      7.111313
  C      -2.958891      5.745501      6.401764
  N      -4.344287      5.299528      6.269419
  H      -2.461577      1.803884      3.621564
  H      -2.500982      0.931521      5.164392
  H      -1.977919      3.917788      4.708651
  H      -0.811140      2.751559      5.408512
  H      -2.899817      6.677205      6.997769
  H      -2.511816      5.993845      5.416797
  H      -2.322653      4.727672      8.189463
  H      -1.033293      4.890238      6.969481
  H      -3.021824      1.413459      9.381866
  H      -3.002180      3.182825      9.451228
  H      -2.109930      1.339766      7.170172
  H      -1.096265      2.501201      8.069984
  C      -5.088040      1.957243      3.844384
  C      -5.453358      0.473735      3.752728
  C      -6.823024      0.251425      3.074547
  C      -6.848537      0.625963      1.620920
  N      -7.324557      1.832042      1.320611
  C      -7.384629      2.169730      0.004389
  N      -7.007780      1.449228     -1.034570
  C      -6.480128      0.220734     -0.749219
  C      -6.028929     -0.600944     -1.812311
  C      -5.489855     -1.842499     -1.546189
  C      -5.384690     -2.313212     -0.216094
  C      -5.822409     -1.535209      0.836765
  C      -6.377616     -0.254137      0.595684
  C      -5.210995      6.352604      5.759919
  C      -4.757960      6.981316      4.436167
  C      -4.682538      5.965303      3.287270
  C      -5.766572      6.096404      2.257088
  N      -6.912869      6.647868      2.628815
  C      -7.863032      6.837730      1.676453
  N      -7.761668      6.603399      0.383355
  C      -6.608652      5.986340     -0.020537
  C      -6.460230      5.631396     -1.383532
  C      -5.366997      4.897939     -1.791364
  C      -4.374212      4.506673     -0.862437
  C      -4.468414      4.884944      0.461642
  C      -5.577112      5.646677      0.909759
  C      -5.539866      2.207782      9.154478
  C      -6.042554      3.603212      9.561862
  C      -7.432620      3.897710      8.998133
  C      -7.846983      3.435474      7.618613
  N      -6.961076      3.340309      6.546763
  C      -7.605091      3.437929      5.308829
  N      -8.857589      3.258345      5.020589
  C      -9.712066      3.011150      6.070100
  C     -11.044088      2.664005      5.801581
  C     -11.961853      2.544787      6.839066
  C     -11.544387      2.818084      8.153819
  C     -10.231226      3.162232      8.437569
  C      -9.243069      3.215574      7.408693
  H      -4.830952      2.372303      2.848160
  H      -5.965264      2.501287      4.198368
  H      -5.515049      0.070040      4.775646
  H      -4.662187     -0.084236      3.225941
  H      -7.122287     -0.798915      3.206365
  H      -7.573076      0.880542      3.576567
  H      -7.806225      3.156940     -0.205867
  H      -6.122269     -0.219264     -2.830080
  H      -5.141976     -2.472717     -2.366828
  H      -4.956241     -3.298557     -0.025484
  H      -5.739025     -1.905559      1.859405
  H      -6.209671      5.925042      5.617277
  H      -5.321648      7.166242      6.506768
  H      -3.776747      7.465913      4.553013
  H      -5.480243      7.774431      4.191452
  H      -3.706909      6.004258      2.783846
  H      -4.735669      4.946039      3.717828
  H      -8.810379      7.253072      2.034903
  H      -7.252341      5.917615     -2.076564
  H      -5.271959      4.597763     -2.836257
  H      -3.532835      3.897803     -1.197434
  H      -3.699474      4.579041      1.172103
  H      -5.171467      1.630742     10.019222
  H      -6.382992      1.637397      8.727357
  H      -6.090739      3.735579     10.654582
  H      -5.302126      4.326067      9.184954
  H      -8.152315      3.446448      9.692789
  H      -7.619691      4.986624      9.063340
  H      -6.975472      3.721350      4.464476
  H     -11.332924      2.518763      4.758957
  H     -12.997692      2.270448      6.635060
  H     -12.266807      2.766478      8.971157
  H      -9.969922      3.377403      9.472842
95
Coordinates from ORCA-job orca E -6148.357090639430
  N      -4.154326      2.262273      4.891612
  Mo     -4.713954      3.331702      6.464298
  N      -4.493383      2.361007      8.193989
  C      -3.163014      2.335311      8.787888
  C      -2.126175      2.312062      7.681763
  N      -2.481220      3.319205      6.650929
  C      -1.912979      2.980633      5.319928
  C      -2.767377      1.880618      4.704964
  C      -2.116453      4.687906      7.092661
  C      -2.957162      5.729774      6.375738
  N      -4.348546      5.295656      6.267822
  H      -2.518072      1.767174      3.634114
  H      -2.543107      0.906710      5.184397
  H      -2.004162      3.883227      4.699248
  H      -0.844524      2.711752      5.403431
  H      -2.885806      6.673375      6.952878
  H      -2.520319      5.952776      5.381507
  H      -2.317564      4.736379      8.172067
  H      -1.037213      4.865885      6.938077
  H      -3.032741      1.432524      9.414475
  H      -3.000171      3.202575      9.464625
  H      -2.140039      1.328650      7.193491
  H      -1.106649      2.493102      8.067311
  C      -5.123302      1.898386      3.877366
  C      -5.473778      0.407881      3.804151
  C      -6.843816      0.171114      3.134051
  C      -6.885100      0.598631      1.694875
  N      -7.382799      1.807920      1.445949
  C      -7.442215      2.201629      0.145192
  N      -7.049141      1.534131     -0.922887
  C      -6.504624      0.302082     -0.688760
  C      -6.038041     -0.466798     -1.784007
  C      -5.481489     -1.710901     -1.569565
  C      -5.373513     -2.237032     -0.260148
  C      -5.825695     -1.511411      0.823602
  C      -6.399255     -0.228684      0.635136
  C      -5.205443      6.362868      5.764321
  C      -4.755291      6.961434      4.423832
  C      -4.712745      5.934343      3.282285
  C      -5.794211      6.088905      2.250904
  N      -6.917821      6.694233      2.610242
  C      -7.856997      6.905155      1.649953
  N      -7.765498      6.639099      0.360664
  C      -6.635473      5.969988     -0.028275
  C      -6.495556      5.584684     -1.384817
  C      -5.422112      4.813927     -1.778547
  C      -4.442389      4.411361     -0.841176
  C      -4.530420      4.812397      0.476987
  C      -5.617949      5.612350      0.910430
  C      -5.549143      2.255091      9.191361
  C      -6.052480      3.655042      9.602656
  C      -7.432630      3.942528      9.016056
  C      -7.788033      3.519298      7.608317
  N      -6.869380      3.515296      6.561281
  C      -7.479919      3.598462      5.305505
  N      -8.709759      3.357993      4.972482
  C      -9.585221      3.049422      5.991297
  C     -10.891083      2.647286      5.674135
  C     -11.831361      2.455425      6.679918
  C     -11.464149      2.708258      8.014353
  C     -10.177414      3.105092      8.345904
  C      -9.165798      3.239080      7.347867
  H      -4.860475      2.293996      2.876045
  H      -6.016479      2.437151      4.202264
  H      -5.524373      0.008974      4.829450
  H      -4.679570     -0.142609      3.273630
  H      -7.123198     -0.887394      3.239107
  H      -7.600587      0.772427      3.659329
  H      -7.880954      3.188634     -0.024308
  H      -6.133819     -0.043400     -2.785139
  H      -5.122068     -2.299896     -2.415594
  H      -4.931505     -3.223556     -0.110322
  H      -5.740630     -1.923585      1.829999
  H      -6.217914      5.959003      5.645428
  H      -5.279301      7.186969      6.504079
  H      -3.762555      7.422021      4.528092
  H      -5.459309      7.769193      4.175039
  H      -3.737421      5.943023      2.776270
  H      -4.792272      4.918520      3.721812
  H      -8.785456      7.370349      1.996044
  H      -7.277221      5.882654     -2.085037
  H      -5.333805      4.494026     -2.818184
  H      -3.616593      3.775507     -1.164481
  H      -3.771828      4.496689      1.194217
  H      -5.185664      1.675600     10.058402
  H      -6.395342      1.690966      8.763519
  H      -6.120451      3.774131     10.695881
  H      -5.310858      4.390106      9.250601
  H      -8.161428      3.457229      9.679371
  H      -7.645320      5.025424      9.104552
  H      -6.832124      3.922415      4.490339
  H     -11.141632      2.517004      4.619529
  H     -12.846655      2.137983      6.438006
  H     -12.205347      2.596805      8.808801
  H      -9.955255      3.298920      9.394387
95
Coordinates from ORCA-job orca E -6148.359061904722
  N      -4.150937      2.220130      4.878717
  Mo     -4.724236      3.283544      6.457850
  N      -4.481560      2.295192      8.181900
  C      -3.149013      2.265928      8.775318
  C      -2.114521      2.262284      7.667101
  N      -2.484158      3.283737      6.647805
  C      -1.909976      2.964459      5.311449
  C      -2.754341      1.862392      4.684764
  C      -2.134527      4.657627      7.105757
  C      -2.990144      5.696576      6.390157
  N      -4.383426      5.246787      6.282387
  H      -2.510272      1.768021      3.610683
  H      -2.513183      0.884017      5.147515
  H      -2.004300      3.872294      4.699924
  H      -0.839730      2.702887      5.395423
  H      -2.930321      6.643014      6.964444
  H      -2.559028      5.921315      5.394710
  H      -2.338262      4.696352      8.184746
  H      -1.056422      4.848145      6.955320
  H      -3.013868      1.359646      9.396006
  H      -2.988056      3.128126      9.457808
  H      -2.121857      1.285811      7.164714
  H      -1.095436      2.447330      8.050002
  C      -5.101882      1.826397      3.855841
  C      -5.409651      0.327986      3.779889
  C      -6.767411      0.089441      3.093651
  C      -6.784232      0.582207      1.676319
  N      -7.286583      1.800017      1.482152
  C      -7.304588      2.266963      0.205446
  N      -6.869928      1.665654     -0.885424
  C      -6.328313      0.422686     -0.705825
  C      -5.823268     -0.280323     -1.827397
  C      -5.267646     -1.532812     -1.667712
  C      -5.198470     -2.133205     -0.388345
  C      -5.687655     -1.472544      0.720232
  C      -6.261490     -0.182610      0.587689
  C      -5.283821      6.298876      5.809938
  C      -4.892609      6.910126      4.454476
  C      -4.847274      5.878794      3.313399
  C      -5.953129      5.987073      2.296682
  N      -7.082527      6.585922      2.651752
  C      -8.037627      6.749552      1.697939
  N      -7.965064      6.436695      0.419076
  C      -6.831022      5.772889      0.037565
  C      -6.708021      5.337532     -1.305251
  C      -5.624035      4.578126     -1.690327
  C      -4.617041      4.235883     -0.757968
  C      -4.692131      4.682140      0.545648
  C      -5.790149      5.471458      0.969613
  C      -5.536889      2.199281      9.183422
  C      -5.994648      3.611130      9.606186
  C      -7.366861      3.971075      9.043437
  C      -7.749633      3.567740      7.640819
  N      -6.814996      3.493375      6.613951
  C      -7.380388      3.656065      5.345902
  N      -8.615778      3.527062      4.983163
  C      -9.538359      3.273134      5.978351
  C     -10.865420      2.994400      5.621369
  C     -11.844726      2.866582      6.598497
  C     -11.492074      3.060193      7.946808
  C     -10.185704      3.337343      8.318219
  C      -9.139896      3.401158      7.348412
  H      -4.831844      2.221083      2.855355
  H      -6.019172      2.335974      4.147663
  H      -5.458830     -0.081842      4.800889
  H      -4.599469     -0.199950      3.250284
  H      -7.035116     -0.975266      3.155642
  H      -7.537610      0.662280      3.630139
  H      -7.733131      3.265621      0.079488
  H      -5.889286      0.199279     -2.804881
  H      -4.879214     -2.070385     -2.534247
  H      -4.757209     -3.125148     -0.281673
  H      -5.633157     -1.941515      1.702834
  H      -6.291519      5.868683      5.725323
  H      -5.348662      7.117093      6.556782
  H      -3.914457      7.405120      4.533231
  H      -5.628942      7.692215      4.221587
  H      -3.882677      5.912288      2.788302
  H      -4.886755      4.865229      3.762324
  H      -8.966337      7.216745      2.040092
  H      -7.509048      5.590078     -2.001024
  H      -5.547735      4.220515     -2.718012
  H      -3.782466      3.607995     -1.072624
  H      -3.915781      4.408093      1.260522
  H      -5.182521      1.610381     10.047540
  H      -6.396357      1.654940      8.754977
  H      -6.038366      3.725621     10.700714
  H      -5.230999      4.321116      9.249693
  H      -8.116172      3.535066      9.714817
  H      -7.511725      5.065487      9.128312
  H      -6.676882      3.930331      4.556302
  H     -11.098002      2.908349      4.558604
  H     -12.876854      2.645155      6.325176
  H     -12.260567      2.999129      8.719823
  H      -9.978038      3.492685      9.375184
95
Coordinates from ORCA-job orca E -6148.362767027545
  N      -4.188496      2.222752      4.869398
  Mo     -4.730264      3.305100      6.452396
  N      -4.490461      2.305046      8.167562
  C      -3.159136      2.257257      8.753397
  C      -2.130684      2.238432      7.639438
  N      -2.490790      3.264630      6.626341
  C      -1.932948      2.940897      5.287958
  C      -2.797891      1.856538      4.663887
  C      -2.113569      4.627335      7.082203
  C      -2.949973      5.680148      6.374176
  N      -4.348313      5.259829      6.287022
  H      -2.565070      1.766695      3.586607
  H      -2.563501      0.871595      5.116462
  H      -2.011850      3.852617      4.679458
  H      -0.867516      2.657272      5.364508
  H      -2.865318      6.627867      6.942691
  H      -2.526462      5.889628      5.371842
  H      -2.308990      4.669982      8.162759
  H      -1.033131      4.797570      6.923261
  H      -3.035326      1.348016      9.372345
  H      -2.981506      3.115800      9.437142
  H      -2.158131      1.262580      7.136806
  H      -1.105252      2.407513      8.013508
  C      -5.125593      1.809177      3.846222
  C      -5.415134      0.302625      3.792760
  C      -6.763835      0.004357      3.107681
  C      -6.809709      0.479964      1.682894
  N      -7.367048      1.669336      1.466741
  C      -7.400776      2.117443      0.183610
  N      -6.937177      1.518858     -0.896910
  C      -6.344633      0.303127     -0.697500
  C      -5.809333     -0.395944     -1.807888
  C      -5.203019     -1.622053     -1.628117
  C      -5.111829     -2.199466     -0.339333
  C      -5.629064     -1.541948      0.758509
  C      -6.253867     -0.277978      0.605888
  C      -5.227531      6.337190      5.840529
  C      -4.845018      6.953606      4.484704
  C      -4.814309      5.936907      3.332408
  C      -5.929701      6.064167      2.330470
  N      -7.049398      6.666968      2.707780
  C      -8.020123      6.838724      1.771149
  N      -7.971905      6.527671      0.490710
  C      -6.842134      5.869806      0.083529
  C      -6.734294      5.458434     -1.268315
  C      -5.642323      4.726657     -1.684962
  C      -4.615340      4.385194     -0.774715
  C      -4.679680      4.802350      0.539404
  C      -5.784149      5.565443      0.994934
  C      -5.546617      2.229178      9.170194
  C      -6.008666      3.641850      9.584656
  C      -7.386823      3.986794      9.019489
  C      -7.768782      3.590644      7.612040
  N      -6.840849      3.522420      6.581710
  C      -7.407742      3.657983      5.311574
  N      -8.642675      3.513898      4.952254
  C      -9.561321      3.269600      5.954831
  C     -10.888244      2.979330      5.606706
  C     -11.862093      2.850973      6.590076
  C     -11.503304      3.053004      7.935549
  C     -10.196494      3.341514      8.298424
  C      -9.157468      3.410824      7.322631
  H      -4.840476      2.186281      2.843310
  H      -6.057825      2.313599      4.107486
  H      -5.455599     -0.083354      4.823414
  H      -4.595404     -0.223167      3.275809
  H      -6.981905     -1.071429      3.174877
  H      -7.557670      0.543618      3.645203
  H      -7.871579      3.095065      0.042233
  H      -5.894122      0.064906     -2.793181
  H      -4.791976     -2.156989     -2.486151
  H      -4.631588     -3.171567     -0.216925
  H      -5.558207     -1.993757      1.748424
  H      -6.247415      5.933706      5.774093
  H      -5.255009      7.151409      6.593919
  H      -3.861565      7.438367      4.561223
  H      -5.574474      7.745886      4.264410
  H      -3.854319      5.976180      2.798664
  H      -4.848895      4.915341      3.764705
  H      -8.939307      7.312010      2.130726
  H      -7.549207      5.712699     -1.947472
  H      -5.575546      4.389580     -2.720258
  H      -3.773271      3.780823     -1.115073
  H      -3.885535      4.531242      1.235914
  H      -5.190795      1.644224     10.037062
  H      -6.409273      1.684975      8.748447
  H      -6.057753      3.761000     10.678571
  H      -5.247035      4.355341      9.229403
  H      -8.132075      3.536525      9.687752
  H      -7.543941      5.078929      9.111515
  H      -6.700617      3.923948      4.523051
  H     -11.124897      2.883116      4.545441
  H     -12.894333      2.620726      6.323591
  H     -12.266915      2.988294      8.713505
  H      -9.982309      3.500267      9.354059
95
Coordinates from ORCA-job orca E -6148.365085835199
  N      -4.212095      2.211256      4.860654
  Mo     -4.720796      3.305926      6.450430
  N      -4.491696      2.293122      8.156544
  C      -3.161528      2.227807      8.740014
  C      -2.135877      2.199348      7.621422
  N      -2.485550      3.233426      6.613556
  C      -1.940820      2.907802      5.271972
  C      -2.823183      1.839735      4.645307
  C      -2.088150      4.588822      7.070817
  C      -2.911673      5.653136      6.367027
  N      -4.314644      5.251885      6.298144
  H      -2.598290      1.759981      3.565201
  H      -2.593465      0.846907      5.083427
  H      -2.005289      3.823300      4.667566
  H      -0.880133      2.605084      5.341981
  H      -2.807603      6.602237      6.929595
  H      -2.495497      5.851573      5.358878
  H      -2.279739      4.633073      8.151993
  H      -1.005873      4.745212      6.908224
  H      -3.047864      1.315381      9.356428
  H      -2.969798      3.082029      9.425623
  H      -2.179310      1.225054      7.116984
  H      -1.106657      2.353542      7.991364
  C      -5.135086      1.774667      3.835584
  C      -5.400123      0.261796      3.795635
  C      -6.735284     -0.069786      3.099560
  C      -6.780724      0.412134      1.676452
  N      -7.375132      1.581844      1.454997
  C      -7.395925      2.039200      0.174971
  N      -6.890940      1.463109     -0.899217
  C      -6.266595      0.264353     -0.696422
  C      -5.689807     -0.410835     -1.800981
  C      -5.050348     -1.619373     -1.617421
  C      -4.966085     -2.202527     -0.330744
  C      -5.522784     -1.568021      0.761250
  C      -6.182252     -0.321994      0.605235
  C      -5.186128      6.345569      5.878918
  C      -4.825803      6.964487      4.516750
  C      -4.828496      5.954533      3.358292
  C      -5.966952      6.095961      2.382324
  N      -7.065131      6.722522      2.783745
  C      -8.060243      6.899001      1.873682
  N      -8.058339      6.565368      0.598216
  C      -6.950305      5.886684      0.165850
  C      -6.888512      5.459114     -1.183681
  C      -5.812234      4.720139     -1.628288
  C      -4.758101      4.384184     -0.747966
  C      -4.780429      4.810995      0.564570
  C      -5.866866      5.582847      1.048085
  C      -5.554678      2.237142      9.152852
  C      -6.014888      3.653731      9.556335
  C      -7.393293      4.003974      8.991797
  C      -7.775043      3.627096      7.578744
  N      -6.846647      3.550252      6.554279
  C      -7.396778      3.676127      5.278176
  N      -8.631561      3.555030      4.909379
  C      -9.562570      3.341179      5.909268
  C     -10.894112      3.083350      5.555120
  C     -11.875937      2.978374      6.534325
  C     -11.519055      3.168773      7.881522
  C     -10.206858      3.425550      8.250648
  C      -9.164067      3.473851      7.279354
  H      -4.833476      2.138696      2.832071
  H      -6.084706      2.265975      4.063438
  H      -5.441911     -0.111968      4.830912
  H      -4.569467     -0.259193      3.291671
  H      -6.920154     -1.152536      3.153725
  H      -7.549063      0.439505      3.636229
  H      -7.893207      3.003333      0.030295
  H      -5.770243      0.053853     -2.784838
  H      -4.607683     -2.136047     -2.470939
  H      -4.460015     -3.161112     -0.205490
  H      -5.457401     -2.024739      1.749274
  H      -6.215487      5.963704      5.837990
  H      -5.174631      7.155230      6.637428
  H      -3.835743      7.439079      4.578585
  H      -5.549733      7.766045      4.313452
  H      -3.880900      5.992350      2.802548
  H      -4.856722      4.929639      3.781753
  H      -8.958420      7.396572      2.253214
  H      -7.723182      5.711323     -1.839244
  H      -5.779705      4.372345     -2.661679
  H      -3.928422      3.775085     -1.109800
  H      -3.965363      4.542486      1.237465
  H      -5.207673      1.657708     10.027272
  H      -6.418131      1.694117      8.731633
  H      -6.065963      3.775511     10.649858
  H      -5.250973      4.365527      9.202476
  H      -8.141051      3.549349      9.655974
  H      -7.546595      5.095823      9.093822
  H      -6.670021      3.916370      4.499289
  H     -11.127376      2.991673      4.492705
  H     -12.912188      2.773741      6.262499
  H     -12.287502      3.119818      8.655916
  H      -9.990664      3.576218      9.307381
95
Coordinates from ORCA-job orca E -6148.367056593317
  N      -4.249624      2.206737      4.842450
  Mo     -4.726845      3.306400      6.443075
  N      -4.493077      2.280811      8.138957
  C      -3.158689      2.206314      8.714142
  C      -2.141229      2.181903      7.586227
  N      -2.494036      3.224793      6.587509
  C      -1.965256      2.903693      5.238935
  C      -2.857229      1.843076      4.612497
  C      -2.085440      4.576350      7.049868
  C      -2.909952      5.647522      6.357706
  N      -4.314982      5.248430      6.306684
  H      -2.641775      1.776322      3.529243
  H      -2.621485      0.844864      5.035106
  H      -2.027366      3.822900      4.639940
  H      -0.906408      2.592247      5.296734
  H      -2.794668      6.596074      6.918746
  H      -2.505374      5.845259      5.344329
  H      -2.270850      4.615982      8.132259
  H      -1.003367      4.729496      6.881657
  H      -3.043493      1.289120      9.323250
  H      -2.956432      3.054892      9.403644
  H      -2.194300      1.210531      7.077025
  H      -1.108619      2.328431      7.949545
  C      -5.158850      1.735225      3.819614
  C      -5.383320      0.215451      3.793856
  C      -6.707441     -0.151469      3.095262
  C      -6.768636      0.345826      1.678896
  N      -7.407888      1.493589      1.471128
  C      -7.440090      1.969898      0.198599
  N      -6.908582      1.428873     -0.880966
  C      -6.242338      0.250338     -0.693898
  C      -5.639212     -0.387313     -1.806747
  C      -4.957947     -1.575101     -1.639310
  C      -4.856780     -2.174284     -0.361272
  C      -5.437836     -1.576131      0.738465
  C      -6.140147     -0.351623      0.599535
  C      -5.188663      6.349460      5.910292
  C      -4.842555      6.981205      4.549220
  C      -4.833846      5.980987      3.383232
  C      -5.982583      6.100110      2.414743
  N      -7.087256      6.712693      2.819605
  C      -8.096145      6.856650      1.919029
  N      -8.105169      6.499165      0.650037
  C      -6.988072      5.839280      0.213262
  C      -6.932243      5.396299     -1.131456
  C      -5.840227      4.684509     -1.582632
  C      -4.766092      4.388941     -0.712355
  C      -4.784842      4.827508      0.596331
  C      -5.886300      5.573919      1.085768
  C      -5.554082      2.227824      9.137632
  C      -6.014415      3.641862      9.548728
  C      -7.394513      3.999324      8.996963
  C      -7.780062      3.646389      7.580559
  N      -6.850756      3.553357      6.562402
  C      -7.387341      3.683024      5.283255
  N      -8.623449      3.599356      4.906213
  C      -9.566226      3.418667      5.902445
  C     -10.903875      3.207793      5.542213
  C     -11.893139      3.131759      6.517696
  C     -11.536398      3.301865      7.866901
  C     -10.217113      3.512561      8.242128
  C      -9.171420      3.532878      7.274372
  H      -4.849039      2.090014      2.814663
  H      -6.128658      2.200445      4.018246
  H      -5.420355     -0.150345      4.832424
  H      -4.540025     -0.291803      3.297392
  H      -6.855786     -1.240731      3.133268
  H      -7.537000      0.322775      3.639246
  H      -7.971127      2.917674      0.065818
  H      -5.734023      0.088975     -2.783751
  H      -4.495285     -2.063086     -2.499099
  H      -4.318431     -3.116777     -0.249028
  H      -5.359574     -2.046058      1.719326
  H      -6.220575      5.974906      5.881097
  H      -5.158094      7.151433      6.676271
  H      -3.858056      7.468193      4.612093
  H      -5.577219      7.775002      4.354023
  H      -3.891869      6.047256      2.820187
  H      -4.831526      4.951539      3.794382
  H      -8.997925      7.345547      2.301422
  H      -7.781749      5.618085     -1.778957
  H      -5.811010      4.325461     -2.612236
  H      -3.923217      3.801013     -1.078781
  H      -3.953852      4.589245      1.260969
  H      -5.206691      1.649416     10.012786
  H      -6.417771      1.683301      8.718902
  H      -6.060643      3.753919     10.643640
  H      -5.253679      4.358407      9.197657
  H      -8.140309      3.538343      9.659727
  H      -7.543218      5.090497      9.113456
  H      -6.644510      3.890830      4.510473
  H     -11.135637      3.127671      4.478577
  H     -12.934530      2.964262      6.240094
  H     -12.309296      3.273617      8.637910
  H      -9.996390      3.649687      9.299766
95
Coordinates from ORCA-job orca E -6148.368703935763
  N      -4.273805      2.212309      4.820120
  Mo     -4.724465      3.309107      6.433698
  N      -4.496398      2.265957      8.118146
  C      -3.159701      2.177164      8.691122
  C      -2.145533      2.158765      7.559188
  N      -2.494126      3.215171      6.571920
  C      -1.975586      2.902589      5.217293
  C      -2.876773      1.853556      4.582466
  C      -2.071937      4.559816      7.047040
  C      -2.893748      5.642969      6.367053
  N      -4.303615      5.250040      6.323782
  H      -2.665004      1.803705      3.497401
  H      -2.640364      0.848283      4.987013
  H      -2.030974      3.828165      4.627636
  H      -0.919628      2.580485      5.266566
  H      -2.767166      6.587066      6.932397
  H      -2.495792      5.844760      5.351874
  H      -2.256462      4.589602      8.129859
  H      -0.989243      4.706972      6.879226
  H      -3.047496      1.252703      9.289282
  H      -2.949525      3.017042      9.388408
  H      -2.207614      1.193151      7.040056
  H      -1.111413      2.293678      7.922153
  C      -5.170276      1.712192      3.794266
  C      -5.353581      0.186547      3.780120
  C      -6.664726     -0.221843      3.077732
  C      -6.745312      0.279296      1.664059
  N      -7.438310      1.396080      1.461510
  C      -7.489040      1.879899      0.192545
  N      -6.929285      1.372056     -0.888603
  C      -6.210668      0.223641     -0.707839
  C      -5.578076     -0.378245     -1.824104
  C      -4.844436     -1.535346     -1.663853
  C      -4.718313     -2.138329     -0.389919
  C      -5.326789     -1.574545      0.713139
  C      -6.083110     -0.382198      0.581705
  C      -5.174427      6.364846      5.955571
  C      -4.843527      7.004511      4.594492
  C      -4.847858      6.008557      3.426363
  C      -6.011620      6.119627      2.475619
  N      -7.101232      6.756310      2.883178
  C      -8.124847      6.886924      1.997556
  N      -8.162634      6.490590      0.740692
  C      -7.061342      5.806890      0.301969
  C      -7.037695      5.321585     -1.028766
  C      -5.961976      4.585821     -1.479915
  C      -4.872633      4.307188     -0.622969
  C      -4.860488      4.785528      0.671654
  C      -5.945064      5.556536      1.160365
  C      -5.559766      2.213162      9.114749
  C      -6.015711      3.627504      9.525799
  C      -7.392320      3.997490      8.973932
  C      -7.774721      3.667304      7.551136
  N      -6.841597      3.560091      6.539547
  C      -7.363558      3.689071      5.255603
  N      -8.598832      3.643370      4.868544
  C      -9.554488      3.501594      5.858824
  C     -10.896469      3.342981      5.488841
  C     -11.894949      3.301344      6.457573
  C     -11.542715      3.450978      7.809539
  C     -10.218600      3.610013      8.194792
  C      -9.167359      3.597674      7.233874
  H      -4.851526      2.061792      2.789845
  H      -6.157207      2.152484      3.965788
  H      -5.387619     -0.171763      4.821471
  H      -4.494935     -0.303753      3.293686
  H      -6.772674     -1.316358      3.107072
  H      -7.511502      0.216893      3.624413
  H      -8.061928      2.803571      0.064963
  H      -5.693280      0.100280     -2.797743
  H      -4.359130     -1.996059     -2.526116
  H      -4.138886     -3.056754     -0.283499
  H      -5.229058     -2.047960      1.690607
  H      -6.210567      6.003111      5.941089
  H      -5.118615      7.158405      6.728675
  H      -3.858530      7.491755      4.648648
  H      -5.581806      7.798129      4.411495
  H      -3.915272      6.081941      2.848146
  H      -4.832581      4.977637      3.832875
  H      -9.013114      7.398383      2.381892
  H      -7.898547      5.531206     -1.665132
  H      -5.957752      4.194267     -2.497937
  H      -4.042287      3.701032     -0.988430
  H      -4.018662      4.558501      1.326562
  H      -5.218542      1.634226      9.991749
  H      -6.423539      1.670496      8.693715
  H      -6.063189      3.734680     10.621246
  H      -5.251085      4.342047      9.179528
  H      -8.143075      3.534016      9.629495
  H      -7.534223      5.088191      9.103967
  H      -6.606672      3.860114      4.486949
  H     -11.124112      3.274223      4.423616
  H     -12.939712      3.174922      6.171177
  H     -12.321826      3.447867      8.574652
  H      -9.997238      3.734251      9.253749
95
Coordinates from ORCA-job orca E -6148.370066096281
  N      -4.296254      2.207454      4.798433
  Mo     -4.722550      3.301771      6.422703
  N      -4.497966      2.252229      8.100113
  C      -3.158989      2.156653      8.667515
  C      -2.148967      2.145593      7.530586
  N      -2.497592      3.210474      6.552261
  C      -1.991561      2.905877      5.191841
  C      -2.894986      1.861234      4.553737
  C      -2.069792      4.550675      7.033501
  C      -2.894341      5.637647      6.363527
  N      -4.304749      5.244232      6.330040
  H      -2.686172      1.825469      3.467308
  H      -2.653063      0.852271      4.944626
  H      -2.049002      3.836061      4.609491
  H      -0.936042      2.580489      5.229828
  H      -2.761650      6.579568      6.930930
  H      -2.503916      5.842329      5.346384
  H      -2.251934      4.574046      8.116931
  H      -0.987543      4.696692      6.863117
  H      -3.045181      1.226647      9.256537
  H      -2.944760      2.990600      9.370350
  H      -2.215977      1.184034      7.004673
  H      -1.113610      2.274449      7.892613
  C      -5.181088      1.672634      3.777790
  C      -5.315292      0.141841      3.776055
  C      -6.613478     -0.307710      3.074614
  C      -6.722253      0.207980      1.668019
  N      -7.462809      1.297273      1.485572
  C      -7.541712      1.797894      0.224672
  N      -6.967957      1.329816     -0.866905
  C      -6.201302      0.209642     -0.707232
  C      -5.552313     -0.349158     -1.836388
  C      -4.770577     -1.477318     -1.698109
  C      -4.610673     -2.092962     -0.434030
  C      -5.233656     -1.570671      0.681479
  C      -6.039286     -0.409069      0.572558
  C      -5.179172      6.363301      5.981259
  C      -4.860319      7.020515      4.624566
  C      -4.852018      6.035769      3.448141
  C      -6.032478      6.115130      2.514865
  N      -7.127238      6.738450      2.929057
  C      -8.167271      6.833580      2.057878
  N      -8.217390      6.413269      0.809186
  C      -7.109360      5.745095      0.363547
  C      -7.094150      5.242231     -0.960881
  C      -6.007422      4.527294     -1.419325
  C      -4.898826      4.286529     -0.575577
  C      -4.878858      4.782268      0.712439
  C      -5.974503      5.533137      1.207611
  C      -5.560968      2.194250      9.097150
  C      -6.022308      3.604238      9.522162
  C      -7.401957      3.979413      8.981677
  C      -7.780205      3.686932      7.549688
  N      -6.841403      3.564713      6.547646
  C      -7.344554      3.695267      5.258299
  N      -8.576888      3.693938      4.857612
  C      -9.547909      3.596148      5.838816
  C     -10.891998      3.497656      5.455218
  C     -11.900704      3.492964      6.414527
  C     -11.556763      3.615968      7.770861
  C     -10.230532      3.715022      8.170101
  C      -9.172355      3.668281      7.218468
  H      -4.861985      2.018961      2.772661
  H      -6.185249      2.082746      3.931659
  H      -5.342502     -0.211765      4.819235
  H      -4.441641     -0.326285      3.295035
  H      -6.680364     -1.406130      3.089909
  H      -7.472810      0.092506      3.630848
  H      -8.151234      2.700176      0.115223
  H      -5.694539      0.138418     -2.801987
  H      -4.272817     -1.905211     -2.570182
  H      -3.993525     -2.988429     -0.345073
  H      -5.109583     -2.054134      1.651172
  H      -6.215783      6.001434      5.970300
  H      -5.116643      7.146966      6.763673
  H      -3.883447      7.522697      4.680407
  H      -5.611788      7.803781      4.450424
  H      -3.931658      6.145128      2.855198
  H      -4.796492      5.000857      3.842595
  H      -9.058725      7.335670      2.447126
  H      -7.969188      5.423100     -1.586772
  H      -6.009602      4.121108     -2.431464
  H      -4.059049      3.696717     -0.946364
  H      -4.021046      4.586510      1.356840
  H      -5.219289      1.612239      9.972111
  H      -6.421987      1.649121      8.673667
  H      -6.065204      3.697024     10.619122
  H      -5.262383      4.326539      9.181448
  H      -8.150606      3.496167      9.625925
  H      -7.549096      5.065865      9.139801
  H      -6.573958      3.823699      4.494973
  H     -11.112904      3.443810      4.387691
  H     -12.946907      3.413939      6.116261
  H     -12.343150      3.639363      8.528181
  H     -10.011718      3.820896      9.231461
95
Coordinates from ORCA-job orca E -6148.371285666541
  N      -4.308083      2.211168      4.774069
  Mo     -4.720129      3.295188      6.411491
  N      -4.502635      2.231827      8.078507
  C      -3.163706      2.124683      8.644565
  C      -2.153984      2.123574      7.507489
  N      -2.498443      3.201365      6.541893
  C      -1.998888      2.910887      5.176261
  C      -2.903439      1.875419      4.526231
  C      -2.064395      4.534548      7.036297
  C      -2.888092      5.629770      6.378580
  N      -4.300293      5.240864      6.347567
  H      -2.694285      1.857531      3.439104
  H      -2.659232      0.860917      4.900624
  H      -2.054742      3.848696      4.606166
  H      -0.944273      2.581353      5.206193
  H      -2.749942      6.566405      6.953166
  H      -2.501878      5.841092      5.361206
  H      -2.246694      4.547346      8.119925
  H      -0.981809      4.677615      6.866742
  H      -3.052386      1.186801      9.221426
  H      -2.947677      2.949553      9.357346
  H      -2.224964      1.169116      6.969291
  H      -1.118368      2.243616      7.871987
  C      -5.182081      1.649398      3.755614
  C      -5.267892      0.114748      3.764423
  C      -6.548178     -0.386568      3.063734
  C      -6.690006      0.131828      1.660614
  N      -7.489100      1.180970      1.489577
  C      -7.601804      1.685439      0.232873
  N      -7.012003      1.254759     -0.865576
  C      -6.186592      0.175297     -0.717716
  C      -5.517261     -0.342334     -1.854559
  C      -4.676351     -1.428719     -1.728468
  C      -4.475132     -2.041968     -0.469208
  C      -5.116491     -1.559138      0.653800
  C      -5.982770     -0.441179      0.557122
  C      -5.172495      6.368301      6.021041
  C      -4.868611      7.036405      4.665925
  C      -4.867835      6.061034      3.482411
  C      -6.067983      6.122184      2.573412
  N      -7.154067      6.756150      2.993568
  C      -8.211603      6.828640      2.141067
  N      -8.286611      6.376318      0.904984
  C      -7.186995      5.698023      0.453676
  C      -7.196742      5.163249     -0.858310
  C      -6.117605      4.439723     -1.320864
  C      -4.991950      4.221077     -0.493568
  C      -4.947873      4.747956      0.781401
  C      -6.035563      5.508281      1.279649
  C      -5.568145      2.166868      9.072614
  C      -6.030091      3.574922      9.502624
  C      -7.404757      3.961014      8.956578
  C      -7.773410      3.705406      7.514108
  N      -6.831908      3.565188      6.517669
  C      -7.321797      3.705987      5.224433
  N      -8.550278      3.755604      4.814876
  C      -9.531156      3.702033      5.789498
  C     -10.876153      3.671541      5.396983
  C     -11.889949      3.706110      6.350313
  C     -11.550003      3.797529      7.709979
  C     -10.222990      3.829352      8.118068
  C      -9.162786      3.745263      7.171946
  H      -4.863039      1.995416      2.750775
  H      -6.199414      2.032508      3.895314
  H      -5.287566     -0.232620      4.809815
  H      -4.377082     -0.326777      3.290192
  H      -6.565746     -1.487006      3.072266
  H      -7.422081     -0.028766      3.625935
  H      -8.256958      2.556459      0.134389
  H      -5.692182      0.142326     -2.816255
  H      -4.163034     -1.825091     -2.606391
  H      -3.811151     -2.904202     -0.389746
  H      -4.959898     -2.040540      1.619832
  H      -6.210805      6.010927      6.020497
  H      -5.095654      7.143653      6.810178
  H      -3.894028      7.543540      4.715305
  H      -5.627023      7.815876      4.504876
  H      -3.962728      6.191390      2.870021
  H      -4.785234      5.023873      3.867816
  H      -9.095491      7.340253      2.535064
  H      -8.084164      5.327747     -1.471188
  H      -6.139332      4.008262     -2.322115
  H      -4.157979      3.624741     -0.867049
  H      -4.076981      4.570835      1.413583
  H      -5.229020      1.580388      9.945444
  H      -6.427234      1.623105      8.643798
  H      -6.080034      3.659330     10.599922
  H      -5.265688      4.297397      9.172537
  H      -8.160927      3.463783      9.582278
  H      -7.553057      5.043164      9.140382
  H      -6.542406      3.795400      4.464702
  H     -11.093443      3.636971      4.327942
  H     -12.936637      3.680283      6.044363
  H     -12.339451      3.849558      8.462653
  H     -10.004591      3.913315      9.181662
95
Coordinates from ORCA-job orca E -6148.372444441040
  N      -4.306989      2.211810      4.740014
  Mo     -4.713862      3.281989      6.388899
  N      -4.513068      2.208033      8.047557
  C      -3.176380      2.085057      8.615949
  C      -2.162375      2.093067      7.482808
  N      -2.496841      3.185453      6.530651
  C      -1.997590      2.912070      5.161436
  C      -2.899302      1.885680      4.494332
  C      -2.060138      4.511170      7.041622
  C      -2.879762      5.615501      6.393414
  N      -4.293111      5.232138      6.356533
  H      -2.685073      1.886437      3.407627
  H      -2.652963      0.865742      4.852482
  H      -2.051084      3.857975      4.604830
  H      -0.943395      2.580467      5.187210
  H      -2.738977      6.545628      6.977863
  H      -2.491816      5.835741      5.378264
  H      -2.247238      4.512129      8.124583
  H      -0.976451      4.652232      6.877778
  H      -3.071994      1.138939      9.180644
  H      -2.959176      2.899735      9.340058
  H      -2.236112      1.146683      6.930786
  H      -1.127847      2.202318      7.853954
  C      -5.172742      1.627378      3.724780
  C      -5.215227      0.091013      3.744555
  C      -6.475728     -0.460917      3.045467
  C      -6.646848      0.049914      1.642356
  N      -7.501995      1.054223      1.472011
  C      -7.644568      1.550499      0.215056
  N      -7.036551      1.149547     -0.884852
  C      -6.153914      0.116193     -0.737664
  C      -5.460984     -0.367197     -1.875433
  C      -4.562078     -1.406284     -1.749637
  C      -4.324074     -2.004602     -0.489732
  C      -4.987242     -1.554307      0.634193
  C      -5.913238     -0.485429      0.537573
  C      -5.162300      6.368506      6.057332
  C      -4.870227      7.056926      4.710237
  C      -4.879557      6.096386      3.516030
  C      -6.104092      6.142769      2.639738
  N      -7.176416      6.789546      3.074164
  C      -8.256970      6.844559      2.249264
  N      -8.366967      6.363141      1.027243
  C      -7.281293      5.671564      0.561877
  C      -7.328201      5.105631     -0.736032
  C      -6.263216      4.369307     -1.210796
  C      -5.115374      4.167587     -0.409853
  C      -5.035411      4.724585      0.850513
  C      -6.108075      5.498859      1.359783
  C      -5.583695      2.140899      9.036773
  C      -6.042214      3.548052      9.474639
  C      -7.412523      3.947268      8.928158
  C      -7.773842      3.732121      7.476962
  N      -6.831574      3.567601      6.486192
  C      -7.311322      3.706680      5.188698
  N      -8.534937      3.805790      4.773069
  C      -9.521484      3.808989      5.743028
  C     -10.864663      3.848290      5.344472
  C     -11.879633      3.931709      6.293418
  C     -11.542322      3.998872      7.655120
  C     -10.217250      3.961710      8.069180
  C      -9.158346      3.831876      7.126999
  H      -4.856481      1.973809      2.719160
  H      -6.199517      1.988431      3.856679
  H      -5.228042     -0.247911      4.792827
  H      -4.309229     -0.325951      3.277297
  H      -6.445602     -1.561084      3.052878
  H      -7.362754     -0.141563      3.610467
  H      -8.345754      2.385186      0.117862
  H      -5.664868      0.104828     -2.837704
  H      -4.030573     -1.776373     -2.628198
  H      -3.613949     -2.829238     -0.410307
  H      -4.801614     -2.023856      1.600882
  H      -6.202271      6.015862      6.062466
  H      -5.073395      7.130463      6.858122
  H      -3.896953      7.567120      4.757284
  H      -5.633927      7.834747      4.565707
  H      -3.993959      6.250888      2.880800
  H      -4.768196      5.057088      3.888443
  H      -9.129094      7.366556      2.655671
  H      -8.231832      5.257595     -1.328112
  H      -6.313532      3.913445     -2.200045
  H      -4.293093      3.560646     -0.792192
  H      -4.148288      4.560965      1.463494
  H      -5.250045      1.547430      9.906741
  H      -6.442408      1.602342      8.600981
  H      -6.095898      3.623744     10.572369
  H      -5.273137      4.269294      9.153035
  H      -8.174035      3.432952      9.534380
  H      -7.563206      5.023435      9.141939
  H      -6.527802      3.741914      4.428886
  H     -11.079434      3.826285      4.274603
  H     -12.924734      3.960512      5.982304
  H     -12.331829      4.086732      8.404377
  H      -9.999318      4.029981      9.133967
95
Coordinates from ORCA-job orca E -6148.373629505401
  N      -4.306973      2.220881      4.698856
  Mo     -4.714146      3.273049      6.360922
  N      -4.527341      2.184043      8.007942
  C      -3.193023      2.043485      8.577638
  C      -2.174715      2.062568      7.449065
  N      -2.499673      3.171830      6.514009
  C      -1.999924      2.921382      5.140177
  C      -2.897505      1.905806      4.453293
  C      -2.059811      4.487651      7.045926
  C      -2.875527      5.603541      6.413832
  N      -4.290181      5.227918      6.371564
  H      -2.679706      1.926318      3.367048
  H      -2.646978      0.880768      4.794042
  H      -2.052474      3.877284      4.601016
  H      -0.945646      2.589360      5.160762
  H      -2.731528      6.524334      7.012217
  H      -2.487295      5.836989      5.401530
  H      -2.249300      4.472937      8.128396
  H      -0.975232      4.626804      6.886257
  H      -3.096443      1.088284      9.128424
  H      -2.975049      2.845986      9.315106
  H      -2.251325      1.126354      6.880241
  H      -1.141091      2.159582      7.826272
  C      -5.166522      1.612972      3.690462
  C      -5.166333      0.076528      3.726169
  C      -6.405040     -0.529378      3.034381
  C      -6.607628     -0.033279      1.630090
  N      -7.518337      0.920857      1.458114
  C      -7.693469      1.400143      0.198635
  N      -7.069178      1.026638     -0.901994
  C      -6.128221      0.046390     -0.752508
  C      -5.412621     -0.404108     -1.889704
  C      -4.455326     -1.389437     -1.760649
  C      -4.179554     -1.965193     -0.497995
  C      -4.863868     -1.546089      0.625313
  C      -5.849421     -0.532092      0.525208
  C      -5.151570      6.376225      6.099934
  C      -4.867079      7.082482      4.760794
  C      -4.893725      6.135349      3.557703
  C      -6.139726      6.176244      2.711743
  N      -7.192112      6.851546      3.150137
  C      -8.290589      6.897383      2.348115
  N      -8.435536      6.381572      1.144244
  C      -7.370423      5.659951      0.676153
  C      -7.453673      5.057220     -0.603139
  C      -6.409630      4.291686     -1.078449
  C      -5.247863      4.095251     -0.296243
  C      -5.132221      4.688654      0.944661
  C      -6.182381      5.494030      1.452298
  C      -5.600762      2.109394      8.994226
  C      -6.054994      3.514911      9.441525
  C      -7.415570      3.931912      8.885544
  C      -7.764451      3.758151      7.425299
  N      -6.821483      3.572680      6.439260
  C      -7.294777      3.712127      5.137833
  N      -8.512563      3.854249      4.718420
  C      -9.501242      3.907803      5.684185
  C     -10.839796      4.008632      5.280652
  C     -11.853548      4.133973      6.225996
  C     -11.518717      4.179075      7.589471
  C     -10.198238      4.081455      8.008064
  C      -9.142125      3.912204      7.068809
  H      -4.856714      1.957535      2.681927
  H      -6.200972      1.952709      3.818797
  H      -5.169521     -0.249343      4.778689
  H      -4.246569     -0.315266      3.264532
  H      -6.325838     -1.627130      3.045571
  H      -7.303122     -0.247740      3.602291
  H      -8.441423      2.192948      0.099856
  H      -5.646157      0.048906     -2.854381
  H      -3.906412     -1.734212     -2.638784
  H      -3.423287     -2.747447     -0.415868
  H      -4.649163     -1.997997      1.594263
  H      -6.195134      6.033451      6.111817
  H      -5.046217      7.124462      6.911641
  H      -3.891496      7.588742      4.805679
  H      -5.630523      7.863288      4.631494
  H      -4.026161      6.304010      2.901045
  H      -4.764134      5.095080      3.920132
  H      -9.146131      7.443346      2.758363
  H      -8.367392      5.205540     -1.180527
  H      -6.488252      3.806765     -2.051818
  H      -4.443532      3.464254     -0.677970
  H      -4.234647      4.531673      1.544156
  H      -5.268657      1.507534      9.858775
  H      -6.459602      1.576358      8.552317
  H      -6.121918      3.579328     10.539214
  H      -5.276244      4.233020      9.136709
  H      -8.186450      3.401153      9.466627
  H      -7.569262      5.000910      9.130204
  H      -6.511331      3.702480      4.377575
  H     -11.051872      3.998349      4.210041
  H     -12.895092      4.210887      5.911194
  H     -12.306485      4.297681      8.336308
  H      -9.982502      4.134980      9.074069
95
Coordinates from ORCA-job orca E -6148.374807520776
  N      -4.281283      2.216385      4.659032
  Mo     -4.699983      3.255443      6.327944
  N      -4.536983      2.158101      7.967093
  C      -3.208452      2.001363      8.546314
  C      -2.179014      2.027357      7.427340
  N      -2.489012      3.149704      6.503282
  C      -1.980448      2.918119      5.128777
  C      -2.869791      1.910202      4.421234
  C      -2.049926      4.457257      7.054387
  C      -2.859159      5.582760      6.432856
  N      -4.274407      5.213856      6.380170
  H      -2.642840      1.944334      3.336846
  H      -2.616056      0.882242      4.751220
  H      -2.030336      3.881769      4.603417
  H      -0.925758      2.587252      5.151405
  H      -2.715024      6.494917      7.044559
  H      -2.465405      5.828808      5.425512
  H      -2.245932      4.429555      8.135406
  H      -0.963943      4.595587      6.903082
  H      -3.123357      1.039331      9.087160
  H      -2.993040      2.793785      9.295504
  H      -2.255323      1.099158      6.845458
  H      -1.148367      2.113332      7.815497
  C      -5.133937      1.584447      3.659045
  C      -5.100740      0.049048      3.714475
  C      -6.320789     -0.601429      3.032377
  C      -6.547971     -0.123207      1.625998
  N      -7.502931      0.785835      1.449534
  C      -7.704192      1.244537      0.186262
  N      -7.065040      0.892933     -0.913176
  C      -6.076653     -0.038555     -0.758546
  C      -5.340802     -0.461868     -1.893232
  C      -4.336850     -1.398845     -1.758051
  C      -4.033170     -1.952306     -0.491798
  C      -4.736488     -1.558879      0.628987
  C      -5.769210     -0.593350      0.522828
  C      -5.129252      6.372807      6.139133
  C      -4.853983      7.102825      4.810899
  C      -4.918526      6.175203      3.595814
  C      -6.195334      6.225554      2.797315
  N      -7.214254      6.937489      3.255028
  C      -8.339850      6.989809      2.491723
  N      -8.541174      6.446667      1.308598
  C      -7.511048      5.686727      0.822201
  C      -7.654718      5.052730     -0.436391
  C      -6.646191      4.249965     -0.927534
  C      -5.461752      4.045848     -0.182123
  C      -5.287220      4.669580      1.036947
  C      -6.299810      5.512832      1.558752
  C      -5.621668      2.079747      8.941610
  C      -6.079069      3.483338      9.392114
  C      -7.429108      3.912576      8.820613
  C      -7.756973      3.783660      7.350110
  N      -6.809724      3.577314      6.373536
  C      -7.268525      3.723071      5.066073
  N      -8.476123      3.912856      4.636921
  C      -9.469727      4.015162      5.593231
  C     -10.797887      4.181787      5.177571
  C     -11.813746      4.348315      6.114186
  C     -11.490141      4.366730      7.481195
  C     -10.179704      4.204704      7.911426
  C      -9.123195      3.996115      6.980379
  H      -4.830981      1.923209      2.646102
  H      -6.174248      1.906894      3.786128
  H      -5.096154     -0.260739      4.771919
  H      -4.170806     -0.325067      3.259057
  H      -6.202676     -1.695768      3.050059
  H      -7.226119     -0.348737      3.602485
  H      -8.489720      1.999291      0.083366
  H      -5.596227     -0.027820     -2.861090
  H      -3.772453     -1.722693     -2.634340
  H      -3.240211     -2.696829     -0.404954
  H      -4.500597     -1.993417      1.600859
  H      -6.176182      6.040453      6.157021
  H      -5.007200      7.103990      6.964146
  H      -3.870969      7.594908      4.849651
  H      -5.608994      7.895380      4.706003
  H      -4.076571      6.354100      2.908729
  H      -4.775722      5.131633      3.941451
  H      -9.166349      7.567808      2.917522
  H      -8.584965      5.207673     -0.984980
  H      -6.771190      3.740040     -1.883186
  H      -4.687758      3.384151     -0.574622
  H      -4.372714      4.508277      1.609099
  H      -5.298104      1.472265      9.805462
  H      -6.476001      1.550009      8.487719
  H      -6.164336      3.538556     10.489022
  H      -5.292429      4.200599      9.105937
  H      -8.209547      3.361166      9.370944
  H      -7.591724      4.972359      9.096593
  H      -6.481576      3.677682      4.310541
  H     -10.999876      4.187294      4.104928
  H     -12.847465      4.476754      5.790575
  H     -12.278852      4.515687      8.221595
  H      -9.973381      4.240020      8.979970
95
Coordinates from ORCA-job orca E -6148.376054674830
  N      -4.256863      2.223259      4.615946
  Mo     -4.689053      3.250391      6.290584
  N      -4.544709      2.142281      7.919647
  C      -3.220905      1.967603      8.505540
  C      -2.182795      2.000067      7.393837
  N      -2.479322      3.136499      6.482799
  C      -1.962621      2.926075      5.107007
  C      -2.844972      1.925294      4.380406
  C      -2.039883      4.433795      7.057155
  C      -2.843043      5.571346      6.452387
  N      -4.259263      5.208919      6.389563
  H      -2.613156      1.970022      3.297298
  H      -2.586252      0.895414      4.701193
  H      -2.011676      3.897793      4.596608
  H      -0.907193      2.597708      5.130701
  H      -2.698402      6.472758      7.080007
  H      -2.444567      5.833652      5.451121
  H      -2.239683      4.389258      8.136788
  H      -0.952841      4.571989      6.912658
  H      -3.147486      0.998740      9.035706
  H      -3.005182      2.748670      9.266438
  H      -2.261171      1.080475      6.798713
  H      -1.154194      2.073540      7.789929
  C      -5.109697      1.566395      3.632750
  C      -5.053957      0.032354      3.712543
  C      -6.264594     -0.651274      3.048927
  C      -6.514587     -0.190668      1.641032
  N      -7.503262      0.681126      1.462760
  C      -7.726641      1.121762      0.196668
  N      -7.077153      0.789511     -0.902656
  C      -6.052741     -0.101909     -0.746055
  C      -5.302648     -0.501568     -1.879898
  C      -4.263886     -1.399262     -1.741932
  C      -3.938475     -1.936467     -0.473955
  C      -4.654880     -1.565281      0.645980
  C      -5.722539     -0.638385      0.537521
  C      -5.106425      6.378421      6.174877
  C      -4.831835      7.132338      4.858782
  C      -4.922605      6.224420      3.631392
  C      -6.225502      6.278701      2.874744
  N      -7.216459      7.020665      3.345356
  C      -8.366879      7.068313      2.619901
  N      -8.618998      6.490773      1.463252
  C      -7.617981      5.700075      0.965142
  C      -7.816656      5.026018     -0.264861
  C      -6.837681      4.191578     -0.764109
  C      -5.629134      3.995915     -0.056328
  C      -5.401254      4.658424      1.133208
  C      -6.383428      5.532096      1.662529
  C      -5.638725      2.055701      8.884404
  C      -6.105660      3.453884      9.340729
  C      -7.446254      3.890612      8.752938
  C      -7.748936      3.799051      7.274150
  N      -6.790808      3.583898      6.311926
  C      -7.229388      3.735467      4.996653
  N      -8.425568      3.955363      4.552205
  C      -9.429305      4.088157      5.494176
  C     -10.744407      4.300250      5.059103
  C     -11.768931      4.491357      5.981483
  C     -11.465304      4.487376      7.353446
  C     -10.167293      4.281482      7.802585
  C      -9.103078      4.050486      6.885469
  H      -4.820596      1.893426      2.611800
  H      -6.153276      1.876380      3.767093
  H      -5.036869     -0.257766      4.775547
  H      -4.120122     -0.332920      3.258293
  H      -6.120154     -1.742574      3.074412
  H      -7.171042     -0.417016      3.624852
  H      -8.541511      1.843973      0.091591
  H      -5.574761     -0.081777     -2.849476
  H      -3.688695     -1.704764     -2.617789
  H      -3.118246     -2.650631     -0.385342
  H      -4.402749     -1.986960      1.619402
  H      -6.157142      6.058022      6.192888
  H      -4.971361      7.091528      7.013762
  H      -3.843382      7.612799      4.898894
  H      -5.578538      7.934695      4.772323
  H      -4.104186      6.417738      2.919754
  H      -4.763409      5.178260      3.959247
  H      -9.168629      7.673507      3.055424
  H      -8.764231      5.175482     -0.784582
  H      -7.003838      3.649775     -1.696085
  H      -4.880349      3.308286     -0.453287
  H      -4.469496      4.503113      1.678261
  H      -5.319450      1.443804      9.746842
  H      -6.486963      1.525763      8.419820
  H      -6.211907      3.496840     10.436363
  H      -5.313848      4.173950      9.076354
  H      -8.234030      3.318173      9.272836
  H      -7.622029      4.940692      9.055307
  H      -6.432992      3.677339      4.252351
  H     -10.928456      4.319655      3.983352
  H     -12.793177      4.655195      5.644209
  H     -12.260478      4.653791      8.083163
  H      -9.978716      4.301041      8.874786
95
Coordinates from ORCA-job orca E -6148.377247984634
  N      -4.216034      2.208147      4.581095
  Mo     -4.668517      3.234288      6.253921
  N      -4.544465      2.121804      7.876612
  C      -3.226853      1.934229      8.475343
  C      -2.176768      1.970210      7.373096
  N      -2.459213      3.115076      6.466756
  C      -1.929210      2.915986      5.093505
  C      -2.802641      1.916100      4.352505
  C      -2.022156      4.406248      7.058848
  C      -2.821905      5.552237      6.465888
  N      -4.238971      5.190385      6.393499
  H      -2.562941      1.962468      3.271236
  H      -2.540444      0.886747      4.672983
  H      -1.976520      3.891786      4.590655
  H      -0.873036      2.591076      5.124380
  H      -2.679517      6.445338      7.105934
  H      -2.418258      5.828907      5.470797
  H      -2.226393      4.348751      8.136823
  H      -0.934340      4.546539      6.921924
  H      -3.164634      0.961348      8.999161
  H      -3.013578      2.707578      9.244375
  H      -2.254253      1.055236      6.770834
  H      -1.151689      2.035244      7.779345
  C      -5.067542      1.520579      3.618565
  C      -4.996414     -0.011587      3.728709
  C      -6.202577     -0.715966      3.079883
  C      -6.464758     -0.269289      1.670361
  N      -7.473467      0.578603      1.490817
  C      -7.708132      1.010469      0.223839
  N      -7.049426      0.694567     -0.874571
  C      -6.004714     -0.173313     -0.717328
  C      -5.244950     -0.555412     -1.850644
  C      -4.187804     -1.430998     -1.712203
  C      -3.852730     -1.963197     -0.444558
  C      -4.577574     -1.608176      0.675036
  C      -5.663793     -0.702882      0.566803
  C      -5.086938      6.365450      6.208274
  C      -4.825542      7.152257      4.906611
  C      -4.950787      6.279598      3.656953
  C      -6.287891      6.333495      2.959060
  N      -7.256404      7.079043      3.469182
  C      -8.440076      7.117089      2.799137
  N      -8.747267      6.524964      1.663289
  C      -7.768559      5.734716      1.123518
  C      -8.024327      5.047731     -0.088581
  C      -7.065356      4.215271     -0.629131
  C      -5.821423      4.034627      0.018340
  C      -5.539149      4.709003      1.189384
  C      -6.500089      5.579799      1.760168
  C      -5.653491      2.032266      8.824981
  C      -6.135959      3.426199      9.276225
  C      -7.467278      3.866682      8.670156
  C      -7.739815      3.815584      7.183649
  N      -6.769555      3.587812      6.238933
  C      -7.180483      3.753836      4.915913
  N      -8.361155      4.010388      4.451595
  C      -9.376462      4.175438      5.376187
  C     -10.673393      4.441033      4.917829
  C     -11.708093      4.659602      5.823036
  C     -11.431304      4.627221      7.200182
  C     -10.150402      4.369320      7.672262
  C      -9.077699      4.113563      6.772325
  H      -4.791553      1.827799      2.588082
  H      -6.113633      1.819710      3.759295
  H      -4.972213     -0.280535      4.797312
  H      -4.060323     -0.376625      3.279166
  H      -6.045757     -1.805656      3.113537
  H      -7.108701     -0.488825      3.658594
  H      -8.542520      1.709551      0.117207
  H      -5.524385     -0.140804     -2.820280
  H      -3.605544     -1.722985     -2.587956
  H      -3.018209     -2.660580     -0.356243
  H      -4.318448     -2.025925      1.648340
  H      -6.139091      6.050073      6.229488
  H      -4.940807      7.058616      7.061994
  H      -3.832528      7.622856      4.943413
  H      -5.564982      7.963829      4.853510
  H      -4.167614      6.507989      2.916144
  H      -4.760675      5.227470      3.945832
  H      -9.220942      7.726414      3.265873
  H      -8.997329      5.186447     -0.562184
  H      -7.271408      3.664305     -1.548209
  H      -5.088731      3.348916     -0.410679
  H      -4.580436      4.564515      1.688474
  H      -5.344005      1.423594      9.693408
  H      -6.491009      1.496551      8.347743
  H      -6.263866      3.460736     10.369792
  H      -5.341925      4.150744      9.031062
  H      -8.261843      3.273884      9.158050
  H      -7.657666      4.906535      8.996607
  H      -6.371780      3.676628      4.187180
  H     -10.833574      4.478842      3.838804
  H     -12.719040      4.865419      5.469329
  H     -12.234369      4.812803      7.916501
  H      -9.983387      4.368116      8.748347
95
Coordinates from ORCA-job orca E -6148.378261206407
  N      -4.208216      2.214416      4.546083
  Mo     -4.668088      3.236229      6.221655
  N      -4.547132      2.112997      7.834614
  C      -3.229902      1.910687      8.432055
  C      -2.179977      1.955786      7.329478
  N      -2.457545      3.113089      6.436464
  C      -1.924064      2.930103      5.062593
  C      -2.793468      1.931872      4.311009
  C      -2.020179      4.395608      7.050040
  C      -2.821569      5.551292      6.475547
  N      -4.239493      5.186267      6.396721
  H      -2.555128      1.986603      3.230063
  H      -2.525441      0.901377      4.623365
  H      -1.974849      3.911102      4.570069
  H      -0.866651      2.609695      5.091905
  H      -2.679966      6.435228      7.127993
  H      -2.417875      5.843912      5.485155
  H      -2.223765      4.319497      8.126836
  H      -0.932725      4.539487      6.915653
  H      -3.172421      0.931320      8.943555
  H      -3.011419      2.673271      9.209812
  H      -2.262459      1.047783      6.717487
  H      -1.154795      2.011258      7.736553
  C      -5.065196      1.495222      3.610928
  C      -4.973704     -0.035007      3.746453
  C      -6.180846     -0.760090      3.118573
  C      -6.469544     -0.321950      1.710931
  N      -7.507471      0.491728      1.541928
  C      -7.761343      0.929674      0.280900
  N      -7.093382      0.651799     -0.821706
  C      -6.023286     -0.187965     -0.677297
  C      -5.257299     -0.534193     -1.817751
  C      -4.176962     -1.383170     -1.694218
  C      -3.823500     -1.922958     -0.434948
  C      -4.552784     -1.601458      0.691910
  C      -5.662961     -0.724484      0.599334
  C      -5.090788      6.363595      6.233512
  C      -4.827359      7.184169      4.951926
  C      -4.941509      6.346659      3.677770
  C      -6.290636      6.373592      3.000208
  N      -7.260408      7.115232      3.514378
  C      -8.457987      7.118519      2.868850
  N      -8.780233      6.491242      1.755870
  C      -7.799792      5.708628      1.210498
  C      -8.072301      4.985025      0.023811
  C      -7.110458      4.158223     -0.520112
  C      -5.846994      4.019470      0.099288
  C      -5.549148      4.729202      1.245396
  C      -6.512789      5.595271      1.818918
  C      -5.659259      2.019123      8.780043
  C      -6.152794      3.408511      9.230790
  C      -7.486478      3.841729      8.625531
  C      -7.740472      3.814186      7.136369
  N      -6.759948      3.575600      6.206884
  C      -7.148405      3.739664      4.878521
  N      -8.317811      4.013254      4.395687
  C      -9.341749      4.206562      5.305970
  C     -10.623654      4.507504      4.827925
  C     -11.666060      4.750635      5.718658
  C     -11.412292      4.704901      7.099416
  C     -10.145511      4.413555      7.591222
  C      -9.066322      4.137994      6.706526
  H      -4.811764      1.783409      2.569456
  H      -6.113137      1.783141      3.766428
  H      -4.932999     -0.287367      4.818688
  H      -4.038966     -0.398219      3.292662
  H      -6.008601     -1.847636      3.152785
  H      -7.081698     -0.545170      3.709566
  H      -8.620962      1.599452      0.184241
  H      -5.551179     -0.114626     -2.780900
  H      -3.590375     -1.647885     -2.575743
  H      -2.970810     -2.599464     -0.358966
  H      -4.279269     -2.025132      1.658865
  H      -6.142098      6.045391      6.242231
  H      -4.949093      7.037158      7.103258
  H      -3.836290      7.657430      5.005928
  H      -5.569755      7.994132      4.918106
  H      -4.177679      6.624696      2.933436
  H      -4.710723      5.292909      3.929405
  H      -9.238989      7.725867      3.337791
  H      -9.059482      5.091976     -0.428059
  H      -7.324858      3.582591     -1.422270
  H      -5.111333      3.338597     -0.332192
  H      -4.575705      4.613836      1.723352
  H      -5.349218      1.415907      9.651982
  H      -6.491324      1.475169      8.302033
  H      -6.283315      3.437159     10.324210
  H      -5.364401      4.140499      8.989654
  H      -8.278643      3.232400      9.097567
  H      -7.690986      4.873458      8.968055
  H      -6.327486      3.645236      4.165311
  H     -10.763913      4.553777      3.746526
  H     -12.665780      4.984479      5.350736
  H     -12.222044      4.907272      7.803613
  H      -9.993977      4.403002      8.669880
95
Coordinates from ORCA-job orca E -6148.378918560331
  N      -4.188088      2.213071      4.520327
  Mo     -4.652918      3.238177      6.193770
  N      -4.552147      2.114638      7.806789
  C      -3.241095      1.895281      8.411772
  C      -2.184206      1.933320      7.316087
  N      -2.443819      3.096559      6.425769
  C      -1.902556      2.914444      5.054911
  C      -2.772965      1.924942      4.292562
  C      -1.997762      4.372437      7.046791
  C      -2.787718      5.536926      6.472016
  N      -4.208776      5.185088      6.384175
  H      -2.526962      1.985058      3.213405
  H      -2.512693      0.891038      4.600358
  H      -1.943852      3.897719      4.565867
  H      -0.847338      2.587293      5.089549
  H      -2.641545      6.417543      7.127616
  H      -2.377216      5.828753      5.483857
  H      -2.206320      4.293144      8.122474
  H      -0.908750      4.507380      6.916797
  H      -3.197210      0.912739      8.918479
  H      -3.020117      2.652572      9.194099
  H      -2.272258      1.028448      6.700236
  H      -1.161106      1.976798      7.730005
  C      -5.047583      1.471872      3.603566
  C      -4.943846     -0.054978      3.762120
  C      -6.145054     -0.801420      3.146135
  C      -6.456401     -0.372675      1.739436
  N      -7.525800      0.400453      1.575012
  C      -7.794950      0.840104      0.317798
  N      -7.112939      0.601312     -0.785533
  C      -6.014811     -0.202912     -0.646974
  C      -5.235684     -0.511446     -1.789354
  C      -4.128548     -1.326615     -1.672920
  C      -3.760170     -1.868213     -0.418985
  C      -4.500958     -1.581596      0.709990
  C      -5.638459     -0.740151      0.624545
  C      -5.047947      6.372264      6.237516
  C      -4.774559      7.208366      4.969972
  C      -4.918456      6.393717      3.685957
  C      -6.285378      6.422518      3.046999
  N      -7.225259      7.195573      3.569926
  C      -8.443022      7.202238      2.963519
  N      -8.812904      6.545190      1.883774
  C      -7.864371      5.728865      1.330351
  C      -8.191667      4.968442      0.181154
  C      -7.262437      4.109731     -0.369626
  C      -5.977195      3.975185      0.204998
  C      -5.626471      4.719372      1.313884
  C      -6.557162      5.616511      1.894520
  C      -5.674050      2.026356      8.742612
  C      -6.183119      3.417552      9.170648
  C      -7.516057      3.826938      8.547892
  C      -7.748725      3.817687      7.053890
  N      -6.762168      3.576827      6.129316
  C      -7.146799      3.733283      4.797467
  N      -8.312837      4.013384      4.309347
  C      -9.337075      4.223608      5.214539
  C     -10.612785      4.543451      4.730955
  C     -11.655832      4.798438      5.617561
  C     -11.410585      4.743550      6.999404
  C     -10.150065      4.434611      7.496592
  C      -9.069308      4.152134      6.616281
  H      -4.805568      1.743674      2.554668
  H      -6.095494      1.756716      3.764378
  H      -4.897801     -0.292384      4.837474
  H      -4.007118     -0.416629      3.311306
  H      -5.952040     -1.885421      3.180659
  H      -7.044544     -0.602203      3.745126
  H      -8.679989      1.477031      0.226207
  H      -5.541729     -0.091433     -2.748564
  H      -3.532225     -1.562916     -2.556039
  H      -2.886491     -2.518074     -0.348534
  H      -4.215432     -2.006533      1.672909
  H      -6.102110      6.063419      6.241816
  H      -4.899698      7.032889      7.116007
  H      -3.771445      7.656741      5.022916
  H      -5.498377      8.035918      4.956188
  H      -4.177837      6.690845      2.925447
  H      -4.673682      5.337997      3.913404
  H      -9.197462      7.837732      3.438556
  H      -9.194140      5.073930     -0.236148
  H      -7.517866      3.507742     -1.243226
  H      -5.267618      3.269700     -0.230543
  H      -4.637371      4.604869      1.759142
  H      -5.369058      1.434876      9.624054
  H      -6.498360      1.471030      8.264027
  H      -6.324517      3.457918     10.262383
  H      -5.400214      4.154884      8.928052
  H      -8.302355      3.194049      8.998594
  H      -7.748968      4.848494      8.902461
  H      -6.322201      3.632644      4.086375
  H     -10.747164      4.595029      3.649047
  H     -12.650414      5.047247      5.245309
  H     -12.221819      4.952553      7.700030
  H     -10.003450      4.416295      8.575755
95
Coordinates from ORCA-job orca E -6148.379683641856
  N      -4.211351      2.216564      4.510883
  Mo     -4.665003      3.239659      6.190036
  N      -4.550623      2.114798      7.801323
  C      -3.235709      1.889269      8.392953
  C      -2.189131      1.932741      7.287524
  N      -2.455433      3.100283      6.405521
  C      -1.925076      2.924944      5.030500
  C      -2.797277      1.936020      4.270615
  C      -2.006145      4.372912      7.028229
  C      -2.800322      5.537628      6.461391
  N      -4.220744      5.185622      6.379002
  H      -2.558346      2.004656      3.190136
  H      -2.532734      0.901004      4.570025
  H      -1.974509      3.909779      4.545085
  H      -0.868385      2.601321      5.054076
  H      -2.651485      6.417352      7.117585
  H      -2.394744      5.830502      5.471500
  H      -2.206618      4.289415      8.105161
  H      -0.918352      4.509236      6.889401
  H      -3.188317      0.902652      8.891579
  H      -3.006744      2.641357      9.178058
  H      -2.283588      1.030721      6.668593
  H      -1.162245      1.973797      7.692662
  C      -5.076540      1.452584      3.620180
  C      -4.953846     -0.072143      3.782738
  C      -6.150196     -0.829670      3.169479
  C      -6.473622     -0.395223      1.766047
  N      -7.551788      0.366925      1.608721
  C      -7.823203      0.821106      0.357386
  N      -7.133717      0.608580     -0.746879
  C      -6.028553     -0.187014     -0.616586
  C      -5.243112     -0.470817     -1.761100
  C      -4.130217     -1.279817     -1.654551
  C      -3.762426     -1.839357     -0.408523
  C      -4.508480     -1.575504      0.722776
  C      -5.651049     -0.740098      0.647664
  C      -5.059655      6.372626      6.232494
  C      -4.768156      7.219886      4.977182
  C      -4.897497      6.425333      3.679626
  C      -6.266605      6.420559      3.044607
  N      -7.218321      7.182003      3.563618
  C      -8.435097      7.170584      2.954175
  N      -8.793380      6.505169      1.876027
  C      -7.831497      5.702743      1.324800
  C      -8.145965      4.936218      0.176293
  C      -7.201788      4.094974     -0.375766
  C      -5.913404      3.984998      0.197107
  C      -5.575519      4.735003      1.306305
  C      -6.522924      5.612188      1.890100
  C      -5.666494      2.024506      8.743096
  C      -6.187824      3.413838      9.162864
  C      -7.532209      3.793527      8.549953
  C      -7.753803      3.816984      7.054170
  N      -6.765229      3.586386      6.128805
  C      -7.147900      3.748837      4.798377
  N      -8.314231      4.031399      4.310271
  C      -9.338071      4.241111      5.216037
  C     -10.613280      4.568172      4.734851
  C     -11.656319      4.816203      5.623500
  C     -11.414058      4.745224      7.005044
  C     -10.154474      4.429010      7.500067
  C      -9.073015      4.157430      6.617490
  H      -4.861068      1.719074      2.563975
  H      -6.125284      1.724213      3.802891
  H      -4.902456     -0.309108      4.857840
  H      -4.016157     -0.426471      3.328433
  H      -5.944580     -1.911587      3.194669
  H      -7.047980     -0.643243      3.775235
  H      -8.717844      1.445178      0.271866
  H      -5.550107     -0.037933     -2.714329
  H      -3.529602     -1.497955     -2.539462
  H      -2.885066     -2.485098     -0.345802
  H      -4.223204     -2.014809      1.679277
  H      -6.112708      6.060549      6.219201
  H      -4.925372      7.027344      7.117767
  H      -3.760421      7.655307      5.047296
  H      -5.482080      8.056138      4.966413
  H      -4.173374      6.767594      2.921552
  H      -4.613187      5.374435      3.881302
  H      -9.198413      7.799286      3.424003
  H      -9.150642      5.024091     -0.239865
  H      -7.446151      3.490599     -1.250573
  H      -5.190158      3.295191     -0.241264
  H      -4.582836      4.639934      1.748263
  H      -5.351442      1.444205      9.628649
  H      -6.487359      1.456060      8.274046
  H      -6.316297      3.461533     10.255832
  H      -5.420142      4.161716      8.903954
  H      -8.299496      3.124638      8.981816
  H      -7.799677      4.797507      8.929622
  H      -6.322704      3.644361      4.087109
  H     -10.747255      4.631229      3.653606
  H     -12.649822      5.071269      5.252328
  H     -12.226582      4.945790      7.706681
  H     -10.007596      4.393791      8.578614
95
Coordinates from ORCA-job orca E -6148.380203968039
  N      -4.232554      2.251280      4.491271
  Mo     -4.672552      3.266527      6.177401
  N      -4.543871      2.125914      7.781559
  C      -3.222104      1.879249      8.349252
  C      -2.190592      1.928191      7.230691
  N      -2.458629      3.109146      6.367415
  C      -1.940666      2.946552      4.986462
  C      -2.823917      1.969381      4.224843
  C      -1.996490      4.372105      7.000611
  C      -2.788779      5.546987      6.449202
  N      -4.211181      5.201591      6.368564
  H      -2.601579      2.054660      3.141995
  H      -2.561441      0.929041      4.504969
  H      -1.992791      3.935682      4.509834
  H      -0.884702      2.620195      4.996330
  H      -2.632965      6.420258      7.112001
  H      -2.387777      5.845505      5.459597
  H      -2.188202      4.277041      8.078060
  H      -0.909455      4.504418      6.852887
  H      -3.176786      0.884931      8.832310
  H      -2.975812      2.618851      9.140916
  H      -2.301761      1.034685      6.602446
  H      -1.157906      1.955348      7.622541
  C      -5.120068      1.469828      3.640362
  C      -5.000505     -0.052112      3.817363
  C      -6.209507     -0.798031      3.212891
  C      -6.522692     -0.367236      1.804771
  N      -7.589974      0.406894      1.634962
  C      -7.840189      0.868074      0.381812
  N      -7.138144      0.651419     -0.713688
  C      -6.048623     -0.163534     -0.572258
  C      -5.254930     -0.457191     -1.708526
  C      -4.159064     -1.288298     -1.593070
  C      -3.817774     -1.860384     -0.345437
  C      -4.570946     -1.585201      0.778774
  C      -5.695013     -0.726053      0.694565
  C      -5.051388      6.389337      6.229951
  C      -4.753362      7.254484      4.991593
  C      -4.850959      6.479403      3.680643
  C      -6.211906      6.451313      3.031516
  N      -7.165708      7.224544      3.530901
  C      -8.371959      7.222754      2.902165
  N      -8.717578      6.553722      1.822999
  C      -7.758104      5.731777      1.297372
  C      -8.067124      4.952574      0.156412
  C      -7.129206      4.087297     -0.367396
  C      -5.850694      3.968331      0.225593
  C      -5.516259      4.732685      1.326224
  C      -6.458845      5.631459      1.883723
  C      -5.641355      2.030589      8.745509
  C      -6.183533      3.416163      9.158994
  C      -7.542318      3.762483      8.554272
  C      -7.762952      3.799843      7.059248
  N      -6.760077      3.608288      6.136996
  C      -7.132760      3.784646      4.805337
  N      -8.304302      4.034738      4.312271
  C      -9.343373      4.192524      5.211630
  C     -10.626193      4.478039      4.723106
  C     -11.686218      4.671142      5.604685
  C     -11.456457      4.585664      6.987635
  C     -10.190994      4.310755      7.490657
  C      -9.089460      4.098592      6.615637
  H      -4.937831      1.718460      2.573764
  H      -6.161459      1.751435      3.852082
  H      -4.945221     -0.283088      4.893555
  H      -4.070124     -0.419932      3.359065
  H      -6.021871     -1.882900      3.244017
  H      -7.103276     -0.591352      3.817639
  H      -8.724778      1.505900      0.286667
  H      -5.543820     -0.014998     -2.663207
  H      -3.552621     -1.515099     -2.471823
  H      -2.955368     -2.525295     -0.275396
  H      -4.305890     -2.035471      1.735984
  H      -6.102175      6.069235      6.203417
  H      -4.929992      7.034067      7.124319
  H      -3.747670      7.691787      5.079648
  H      -5.469483      8.088666      4.986705
  H      -4.134048      6.869163      2.937546
  H      -4.529134      5.435671      3.857469
  H      -9.135631      7.865242      3.352358
  H      -9.065114      5.047938     -0.274046
  H      -7.371275      3.471680     -1.234459
  H      -5.130603      3.262106     -0.191638
  H      -4.529926      4.630222      1.781133
  H      -5.299469      1.469431      9.633186
  H      -6.461493      1.440210      8.302040
  H      -6.302004      3.467373     10.253097
  H      -5.433897      4.178066      8.889125
  H      -8.288747      3.068843      8.982283
  H      -7.836973      4.754484      8.944653
  H      -6.296553      3.714071      4.099363
  H     -10.752900      4.554651      3.641965
  H     -12.685019      4.893370      5.226386
  H     -12.283851      4.740673      7.683441
  H     -10.052171      4.258052      8.569543
95
Coordinates from ORCA-job orca E -6148.380665476829
  N      -4.243726      2.267088      4.476069
  Mo     -4.675873      3.265786      6.172414
  N      -4.548613      2.119654      7.771488
  C      -3.224899      1.865617      8.330753
  C      -2.196550      1.925448      7.209305
  N      -2.466514      3.115016      6.359712
  C      -1.954749      2.970029      4.974390
  C      -2.834290      1.998737      4.203221
  C      -2.006496      4.372671      7.002309
  C      -2.798681      5.549149      6.457471
  N      -4.219176      5.204129      6.370217
  H      -2.614199      2.102818      3.121098
  H      -2.564411      0.956123      4.466600
  H      -2.013067      3.964076      4.509375
  H      -0.897309      2.648133      4.975061
  H      -2.645299      6.417843      7.127197
  H      -2.394861      5.854434      5.470995
  H      -2.199547      4.270342      8.078833
  H      -0.919373      4.507052      6.856078
  H      -3.177853      0.865784      8.802404
  H      -2.976363      2.596591      9.129689
  H      -2.309317      1.039006      6.571349
  H      -1.162892      1.948052      7.599096
  C      -5.128033      1.467657      3.638366
  C      -4.974220     -0.049599      3.815241
  C      -6.167744     -0.825311      3.219331
  C      -6.512556     -0.397630      1.819041
  N      -7.608144      0.339977      1.668370
  C      -7.893859      0.790980      0.419280
  N      -7.203100      0.597265     -0.688046
  C      -6.083361     -0.178364     -0.565176
  C      -5.297891     -0.444213     -1.713959
  C      -4.172413     -1.237195     -1.616401
  C      -3.792685     -1.798109     -0.374705
  C      -4.537362     -1.549218      0.761225
  C      -5.690886     -0.728010      0.695401
  C      -5.058577      6.392698      6.233583
  C      -4.740577      7.263346      5.004118
  C      -4.834241      6.498892      3.687109
  C      -6.198321      6.452686      3.044655
  N      -7.154269      7.234464      3.525989
  C      -8.359929      7.216314      2.894796
  N      -8.702636      6.523780      1.829443
  C      -7.741450      5.689688      1.326694
  C      -8.045276      4.887117      0.200731
  C      -7.104546      4.011827     -0.301300
  C      -5.829200      3.904600      0.300595
  C      -5.500005      4.691149      1.386940
  C      -6.444531      5.602798      1.919356
  C      -5.643645      2.018452      8.736514
  C      -6.201276      3.402192      9.136258
  C      -7.565531      3.722653      8.534146
  C      -7.776362      3.789919      7.039962
  N      -6.773032      3.597267      6.120024
  C      -7.140641      3.792942      4.789726
  N      -8.305454      4.074826      4.297518
  C      -9.343096      4.242407      5.195378
  C     -10.618538      4.562492      4.709036
  C     -11.676792      4.762059      5.590928
  C     -11.453278      4.648085      6.973191
  C     -10.195037      4.338934      7.473948
  C      -9.095600      4.119080      6.597617
  H      -4.964178      1.720528      2.569351
  H      -6.171306      1.731040      3.861808
  H      -4.911516     -0.279869      4.891367
  H      -4.037277     -0.395310      3.353500
  H      -5.949168     -1.904573      3.242225
  H      -7.059651     -0.646593      3.835501
  H      -8.800717      1.398108      0.338560
  H      -5.617048     -0.012091     -2.663583
  H      -3.572123     -1.442700     -2.504482
  H      -2.907463     -2.433633     -0.318410
  H      -4.242146     -1.990888      1.713488
  H      -6.109084      6.073320      6.193122
  H      -4.947231      7.031402      7.133985
  H      -3.729059      7.684649      5.103710
  H      -5.443801      8.108101      4.997245
  H      -4.135343      6.916755      2.941351
  H      -4.485865      5.461930      3.849962
  H      -9.125433      7.867320      3.329560
  H      -9.041433      4.973680     -0.235748
  H      -7.344475      3.376017     -1.154364
  H      -5.107463      3.189219     -0.097754
  H      -4.515584      4.600042      1.848071
  H      -5.294761      1.468928      9.628593
  H      -6.457300      1.414982      8.299238
  H      -6.314481      3.465430     10.230148
  H      -5.462959      4.170262      8.852948
  H      -8.294636      2.996870      8.940851
  H      -7.891627      4.695849      8.946188
  H      -6.311222      3.708312      4.081293
  H     -10.742923      4.658483      3.629047
  H     -12.669340      5.011404      5.213176
  H     -12.279421      4.807692      7.669291
  H     -10.059223      4.264380      8.551956
95
Coordinates from ORCA-job orca E -6148.380802584855
  N      -4.239241      2.281061      4.465798
  Mo     -4.666508      3.272687      6.166306
  N      -4.538127      2.116672      7.760995
  C      -3.211292      1.844475      8.308707
  C      -2.187207      1.908395      7.183098
  N      -2.453773      3.106977      6.344268
  C      -1.945423      2.968512      4.955806
  C      -2.833161      2.007244      4.180325
  C      -1.984966      4.358277      6.995173
  C      -2.770709      5.544409      6.460212
  N      -4.193684      5.207564      6.363622
  H      -2.620263      2.120285      3.097680
  H      -2.565748      0.961162      4.432379
  H      -1.998587      3.965379      4.496484
  H      -0.889777      2.641317      4.952510
  H      -2.615785      6.405087      7.139835
  H      -2.361573      5.858371      5.478564
  H      -2.176976      4.249301      8.071189
  H      -0.897214      4.487952      6.848763
  H      -3.169382      0.839410      8.769444
  H      -2.952520      2.564427      9.114064
  H      -2.308218      1.028633      6.537259
  H      -1.151677      1.920949      7.567876
  C      -5.138011      1.471788      3.654062
  C      -4.988267     -0.042962      3.846101
  C      -6.179199     -0.826012      3.252483
  C      -6.520992     -0.417736      1.846372
  N      -7.623228      0.307688      1.684589
  C      -7.907187      0.744749      0.430347
  N      -7.209438      0.548421     -0.672128
  C      -6.083458     -0.216700     -0.538281
  C      -5.290947     -0.485165     -1.681543
  C      -4.159461     -1.267749     -1.572738
  C      -3.780489     -1.815481     -0.324812
  C      -4.531749     -1.563530      0.805990
  C      -5.692095     -0.752899      0.728680
  C      -5.029753      6.400958      6.233979
  C      -4.704591      7.286195      5.016222
  C      -4.813025      6.549449      3.683440
  C      -6.183477      6.508949      3.052839
  N      -7.126568      7.304966      3.536884
  C      -8.337129      7.297429      2.915312
  N      -8.696742      6.602323      1.857003
  C      -7.750377      5.751677      1.354527
  C      -8.073522      4.943420      0.238027
  C      -7.147637      4.052579     -0.264765
  C      -5.868747      3.934645      0.327336
  C      -5.521003      4.725284      1.404608
  C      -6.449613      5.653302      1.937231
  C      -5.625867      2.021387      8.736489
  C      -6.214041      3.401988      9.101515
  C      -7.583309      3.681440      8.490848
  C      -7.790180      3.770341      6.997831
  N      -6.782095      3.594666      6.079000
  C      -7.148214      3.818151      4.750635
  N      -8.312545      4.105472      4.261450
  C      -9.355556      4.239845      5.156823
  C     -10.633061      4.552818      4.671937
  C     -11.697773      4.718745      5.552769
  C     -11.477873      4.578515      6.933572
  C     -10.217504      4.276680      7.432760
  C      -9.111246      4.089546      6.556714
  H      -4.995549      1.711570      2.578516
  H      -6.174047      1.744210      3.894644
  H      -4.930684     -0.264031      4.924650
  H      -4.049501     -0.392708      3.391215
  H      -5.960524     -1.904850      3.290649
  H      -7.074138     -0.640338      3.862271
  H      -8.819829      1.341421      0.339772
  H      -5.609525     -0.063117     -2.635819
  H      -3.553319     -1.474878     -2.456377
  H      -2.890556     -2.443417     -0.259462
  H      -4.236390     -1.995046      1.762846
  H      -6.080537      6.084055      6.188629
  H      -4.920475      7.029442      7.142011
  H      -3.685887      7.689860      5.119022
  H      -5.392631      8.142951      5.025458
  H      -4.133058      7.000763      2.939151
  H      -4.445322      5.515784      3.812933
  H      -9.091669      7.959275      3.353031
  H      -9.071775      5.039770     -0.191339
  H      -7.401848      3.414105     -1.112213
  H      -5.158419      3.208558     -0.071895
  H      -4.533740      4.626418      1.857097
  H      -5.259984      1.504582      9.640730
  H      -6.430889      1.389718      8.322837
  H      -6.333489      3.485034     10.193287
  H      -5.490137      4.179456      8.806356
  H      -8.290564      2.926369      8.883296
  H      -7.943073      4.637810      8.913999
  H      -6.317156      3.760473      4.042934
  H     -10.755179      4.669414      3.593553
  H     -12.692032      4.962126      5.175897
  H     -12.308821      4.711906      7.629362
  H     -10.084884      4.181107      8.509728
95
Coordinates from ORCA-job orca E -6148.381083055530
  N      -4.268383      2.299111      4.440907
  Mo     -4.684290      3.279978      6.149867
  N      -4.548457      2.114917      7.739011
  C      -3.218225      1.822382      8.269230
  C      -2.203430      1.896653      7.136393
  N      -2.471491      3.107847      6.315890
  C      -1.970897      2.985710      4.922722
  C      -2.863139      2.031969      4.141666
  C      -1.998009      4.350307      6.981107
  C      -2.781242      5.545336      6.459590
  N      -4.205364      5.212751      6.353824
  H      -2.658728      2.159345      3.058950
  H      -2.591008      0.983569      4.378000
  H      -2.025877      3.987752      4.474955
  H      -0.915348      2.658470      4.909889
  H      -2.626598      6.397270      7.150178
  H      -2.368709      5.870751      5.483090
  H      -2.189820      4.229097      8.055886
  H      -0.910020      4.478555      6.835622
  H      -3.179688      0.810028      8.714005
  H      -2.946801      2.527645      9.083265
  H      -2.333358      1.026615      6.479229
  H      -1.164943      1.899129      7.513336
  C      -5.171364      1.477506      3.644211
  C      -5.005880     -0.034916      3.840393
  C      -6.188268     -0.831182      3.247395
  C      -6.526537     -0.432686      1.836777
  N      -7.632554      0.284677      1.663183
  C      -7.910711      0.713470      0.404617
  N      -7.204149      0.516460     -0.691869
  C      -6.072756     -0.238329     -0.545640
  C      -5.268923     -0.504805     -1.681371
  C      -4.130614     -1.275604     -1.559915
  C      -3.755893     -1.813129     -0.306349
  C      -4.518434     -1.563132      0.817331
  C      -5.686236     -0.764721      0.726932
  C      -5.040257      6.408357      6.234200
  C      -4.704373      7.309803      5.032352
  C      -4.795108      6.588758      3.690501
  C      -6.166932      6.520341      3.066554
  N      -7.117082      7.314165      3.540112
  C      -8.328111      7.284417      2.920545
  N      -8.681857      6.570071      1.873068
  C      -7.727653      5.722362      1.381107
  C      -8.045060      4.893136      0.278302
  C      -7.111214      4.004385     -0.213060
  C      -5.828621      3.911638      0.375478
  C      -5.486489      4.722992      1.439182
  C      -6.424864      5.646810      1.962518
  C      -5.625275      2.017789      8.727709
  C      -6.212158      3.397720      9.098772
  C      -7.585050      3.680803      8.498689
  C      -7.792463      3.789914      7.007248
  N      -6.784044      3.620713      6.087733
  C      -7.152362      3.837783      4.758978
  N      -8.317207      4.126892      4.271843
  C      -9.358510      4.266155      5.169027
  C     -10.635847      4.583361      4.686309
  C     -11.699908      4.746492      5.568486
  C     -11.480079      4.597003      6.948469
  C     -10.220165      4.290524      7.445642
  C      -9.113569      4.110949      6.568419
  H      -5.045084      1.714176      2.566065
  H      -6.207620      1.742857      3.895524
  H      -4.946978     -0.251912      4.919645
  H      -4.063647     -0.376650      3.386698
  H      -5.959866     -1.907830      3.291171
  H      -7.087080     -0.650682      3.853081
  H      -8.826401      1.304511      0.304514
  H      -5.584131     -0.090496     -2.640166
  H      -3.515502     -1.481041     -2.437767
  H      -2.860241     -2.431751     -0.230829
  H      -4.226155     -1.986823      1.778678
  H      -6.090245      6.090919      6.175250
  H      -4.939807      7.023794      7.151943
  H      -3.687416      7.713225      5.151052
  H      -5.393408      8.166079      5.043894
  H      -4.133306      7.072958      2.950050
  H      -4.397194      5.564961      3.803772
  H      -9.089231      7.944120      3.349908
  H      -9.045908      4.971067     -0.148782
  H      -7.361667      3.348639     -1.048130
  H      -5.110788      3.188174     -0.015259
  H      -4.496296      4.643140      1.888988
  H      -5.246779      1.505762      9.629370
  H      -6.433046      1.382089      8.325195
  H      -6.322214      3.479095     10.191729
  H      -5.489613      4.175225      8.799725
  H      -8.285802      2.913998      8.880432
  H      -7.951516      4.626739      8.938429
  H      -6.323741      3.767268      4.048040
  H     -10.759151      4.703559      3.608521
  H     -12.694123      4.992462      5.193136
  H     -12.311107      4.725917      7.645051
  H     -10.087942      4.185840      8.521816
95
Coordinates from ORCA-job orca E -6148.381151341256
  N      -4.299823      2.306070      4.453127
  Mo     -4.697817      3.285672      6.165281
  N      -4.544061      2.122862      7.754359
  C      -3.208113      1.821391      8.263222
  C      -2.207883      1.903450      7.117613
  N      -2.486743      3.117760      6.306437
  C      -2.001008      3.004216      4.908020
  C      -2.897580      2.048898      4.133561
  C      -2.012621      4.357236      6.973927
  C      -2.796356      5.553298      6.458116
  N      -4.218467      5.218433      6.349408
  H      -2.707475      2.182015      3.049039
  H      -2.615147      1.001630      4.361343
  H      -2.064338      4.008031      4.465068
  H      -0.944352      2.681200      4.881957
  H      -2.643796      6.402304      7.152974
  H      -2.381979      5.884732      5.484450
  H      -2.201909      4.232424      8.048813
  H      -0.925011      4.487119      6.826509
  H      -3.166216      0.804549      8.697445
  H      -2.923000      2.517136      9.080799
  H      -2.344483      1.036198      6.458255
  H      -1.164963      1.904977      7.482383
  C      -5.208905      1.478828      3.670912
  C      -5.036062     -0.032817      3.863791
  C      -6.217366     -0.826035      3.265850
  C      -6.555741     -0.412501      1.859692
  N      -7.663584      0.303638      1.693171
  C      -7.943720      0.743380      0.438685
  N      -7.237975      0.557063     -0.660068
  C      -6.104068     -0.195362     -0.521313
  C      -5.300404     -0.449280     -1.660089
  C      -4.158702     -1.216146     -1.545933
  C      -3.780543     -1.762542     -0.297186
  C      -4.543535     -1.526013      0.829093
  C      -5.715020     -0.731995      0.746476
  C      -5.050594      6.413314      6.205840
  C      -4.687094      7.306576      5.005748
  C      -4.753188      6.582292      3.663589
  C      -6.118937      6.500997      3.027198
  N      -7.078015      7.290932      3.489154
  C      -8.283002      7.250993      2.858793
  N      -8.622778      6.531449      1.809904
  C      -7.658122      5.691386      1.326240
  C      -7.959060      4.862613      0.218193
  C      -7.012297      3.986039     -0.270555
  C      -5.732226      3.907177      0.324998
  C      -5.406444      4.717185      1.395142
  C      -6.359188      5.626821      1.918763
  C      -5.608557      2.018885      8.754408
  C      -6.212703      3.392045      9.119846
  C      -7.593728      3.651448      8.527767
  C      -7.804529      3.769916      7.037552
  N      -6.794688      3.616529      6.118073
  C      -7.161810      3.840732      4.791340
  N      -8.328756      4.123738      4.304575
  C      -9.373093      4.246486      5.201820
  C     -10.652880      4.554425      4.720101
  C     -11.719743      4.699965      5.602630
  C     -11.499762      4.541821      6.981485
  C     -10.237239      4.244007      7.477887
  C      -9.128155      4.083524      6.600431
  H      -5.099209      1.716102      2.591484
  H      -6.243778      1.738118      3.936968
  H      -4.976466     -0.253749      4.942237
  H      -4.093472     -0.370920      3.408254
  H      -5.986967     -1.902688      3.298541
  H      -7.115747     -0.653581      3.874536
  H      -8.861329      1.332509      0.343874
  H      -5.617993     -0.027956     -2.615083
  H      -3.543436     -1.411556     -2.426059
  H      -2.881750     -2.377403     -0.227527
  H      -4.248477     -1.956538      1.786599
  H      -6.099987      6.098247      6.126853
  H      -4.967568      7.033695      7.122004
  H      -3.669935      7.702916      5.143848
  H      -5.368314      8.169250      4.998580
  H      -4.091769      7.078446      2.930496
  H      -4.345745      5.563269      3.779627
  H      -9.052334      7.906639      3.279538
  H      -8.957439      4.932162     -0.216177
  H      -7.249723      3.331647     -1.110462
  H      -5.001707      3.196870     -0.066647
  H      -4.416658      4.649079      1.847457
  H      -5.211834      1.523922      9.658002
  H      -6.410283      1.365538      8.368112
  H      -6.315989      3.478430     10.213099
  H      -5.502439      4.177910      8.811889
  H      -8.273819      2.862672      8.902628
  H      -7.982558      4.582620      8.978797
  H      -6.330201      3.787510      4.081280
  H     -10.776363      4.680697      3.643044
  H     -12.716133      4.938576      5.228171
  H     -12.333060      4.656127      7.678048
  H     -10.105575      4.129849      8.553114
95
Coordinates from ORCA-job orca E -6148.381288727185
  N      -4.308556      2.322985      4.439053
  Mo     -4.700258      3.289560      6.158518
  N      -4.546025      2.114568      7.738322
  C      -3.208348      1.792774      8.231705
  C      -2.212739      1.888292      7.083058
  N      -2.490222      3.115177      6.290835
  C      -2.008657      3.021598      4.889581
  C      -2.907704      2.075792      4.105682
  C      -2.013468      4.344406      6.974386
  C      -2.792825      5.549912      6.472565
  N      -4.215177      5.219258      6.354819
  H      -2.726591      2.225047      3.021852
  H      -2.618690      1.026658      4.315911
  H      -2.072544      4.031845      4.461500
  H      -0.952136      2.698833      4.855951
  H      -2.641493      6.387777      7.181114
  H      -2.374423      5.896209      5.505899
  H      -2.205644      4.206478      8.047196
  H      -0.925074      4.472733      6.831596
  H      -3.172036      0.767986      8.647329
  H      -2.913336      2.470481      9.060902
  H      -2.355084      1.031681      6.411104
  H      -1.168427      1.879725      7.443736
  C      -5.219656      1.490279      3.663425
  C      -5.041430     -0.019723      3.865003
  C      -6.213002     -0.824313      3.263058
  C      -6.540433     -0.427671      1.849415
  N      -7.653357      0.276428      1.665485
  C      -7.925619      0.701311      0.404043
  N      -7.208755      0.509643     -0.686420
  C      -6.068686     -0.230139     -0.529528
  C      -5.252245     -0.488110     -1.658209
  C      -4.104206     -1.242455     -1.525394
  C      -3.732615     -1.772543     -0.267690
  C      -4.508364     -1.532062      0.848976
  C      -5.686215     -0.749746      0.747377
  C      -5.043536      6.417583      6.215655
  C      -4.684188      7.308227      5.012878
  C      -4.760381      6.580365      3.672312
  C      -6.127779      6.520571      3.035239
  N      -7.066023      7.346671      3.476506
  C      -8.268710      7.329240      2.841350
  N      -8.624623      6.599723      1.804580
  C      -7.683218      5.721700      1.343297
  C      -8.003653      4.879571      0.250722
  C      -7.080693      3.966498     -0.216219
  C      -5.805416      3.863349      0.385912
  C      -5.460114      4.685459      1.440539
  C      -6.388705      5.631573      1.943123
  C      -5.600072      2.003773      8.749347
  C      -6.213598      3.372191      9.116979
  C      -7.590183      3.642394      8.515255
  C      -7.802249      3.771017      7.025849
  N      -6.793407      3.624572      6.104498
  C      -7.159784      3.868577      4.780076
  N      -8.325386      4.162216      4.297262
  C      -9.369696      4.276405      5.196265
  C     -10.648045      4.594910      4.718327
  C     -11.714735      4.732869      5.602518
  C     -11.494651      4.556102      6.979157
  C     -10.233329      4.247295      7.471890
  C      -9.124700      4.093625      6.592610
  H      -5.113355      1.723183      2.583027
  H      -6.254784      1.749446      3.928923
  H      -4.987975     -0.233662      4.945140
  H      -4.093443     -0.353670      3.418022
  H      -5.977560     -1.899453      3.309944
  H      -7.118638     -0.651237      3.860724
  H      -8.847676      1.280936      0.294731
  H      -5.564794     -0.079972     -2.620566
  H      -3.478946     -1.440945     -2.397771
  H      -2.828667     -2.377986     -0.183455
  H      -4.218838     -1.950584      1.813432
  H      -6.095173      6.108087      6.142957
  H      -4.951984      7.036176      7.132139
  H      -3.666275      7.704636      5.145766
  H      -5.364479      8.171444      5.005654
  H      -4.092418      7.065852      2.937965
  H      -4.369621      5.555678      3.790853
  H      -9.020352      8.015737      3.244550
  H      -8.997557      4.969268     -0.190146
  H      -7.333401      3.303150     -1.044597
  H      -5.093496      3.125628      0.010964
  H      -4.473856      4.599185      1.897437
  H      -5.186842      1.519707      9.651227
  H      -6.399062      1.338863      8.376766
  H      -6.331856      3.446414     10.209639
  H      -5.498058      4.160926      8.829010
  H      -8.274759      2.854706      8.884299
  H      -7.976314      4.572317      8.970898
  H      -6.330420      3.810915      4.067961
  H     -10.770759      4.735537      3.642930
  H     -12.710374      4.979682      5.231483
  H     -12.327384      4.664742      7.677368
  H     -10.103380      4.119660      8.545875
95
Coordinates from ORCA-job orca E -6148.381361887906
  N      -4.326140      2.352732      4.433679
  Mo     -4.704145      3.308590      6.160586
  N      -4.543059      2.120421      7.732297
  C      -3.203785      1.772341      8.203485
  C      -2.217093      1.880343      7.048454
  N      -2.493891      3.119316      6.274967
  C      -2.020793      3.040339      4.870035
  C      -2.929360      2.106668      4.082106
  C      -2.008556      4.338174      6.970998
  C      -2.779956      5.555273      6.481592
  N      -4.204253      5.234716      6.353375
  H      -2.759900      2.269824      2.998521
  H      -2.639452      1.054491      4.275293
  H      -2.081940      4.055885      4.454267
  H      -0.965896      2.713361      4.826428
  H      -2.627244      6.382124      7.202777
  H      -2.355472      5.913419      5.521946
  H      -2.202004      4.190263      8.042313
  H      -0.919200      4.460675      6.830379
  H      -3.174983      0.738513      8.596787
  H      -2.892606      2.427693      9.044784
  H      -2.368193      1.034395      6.364982
  H      -1.170117      1.861229      7.400967
  C      -5.248905      1.532917      3.658599
  C      -5.083953      0.020362      3.857490
  C      -6.251632     -0.785650      3.246984
  C      -6.554259     -0.416247      1.819798
  N      -7.662489      0.286019      1.602245
  C      -7.914326      0.682269      0.327569
  N      -7.180933      0.465192     -0.747027
  C      -6.045944     -0.274401     -0.555551
  C      -5.213452     -0.560894     -1.665382
  C      -4.071115     -1.317135     -1.498123
  C      -3.721595     -1.821007     -0.223551
  C      -4.513160     -1.552090      0.875435
  C      -5.685099     -0.766515      0.738416
  C      -5.027332      6.437101      6.217872
  C      -4.665951      7.322525      5.013671
  C      -4.743883      6.588180      3.676475
  C      -6.109617      6.526270      3.037013
  N      -7.053917      7.340592      3.487013
  C      -8.260720      7.310882      2.860715
  N      -8.616416      6.577470      1.826625
  C      -7.667285      5.713616      1.354330
  C      -7.985816      4.871085      0.261385
  C      -7.054299      3.973724     -0.218226
  C      -5.772749      3.885111      0.373049
  C      -5.430725      4.705343      1.429918
  C      -6.367013      5.638124      1.943458
  C      -5.582906      2.009390      8.759560
  C      -6.213176      3.371008      9.121862
  C      -7.595769      3.625423      8.525855
  C      -7.817248      3.766925      7.039383
  N      -6.809470      3.642078      6.113590
  C      -7.178944      3.914932      4.795067
  N      -8.346747      4.212121      4.320162
  C      -9.391758      4.293328      5.221934
  C     -10.673677      4.608586      4.751517
  C     -11.741254      4.716343      5.638782
  C     -11.517931      4.512909      7.011250
  C     -10.253153      4.207333      7.496959
  C      -9.143626      4.082667      6.614122
  H      -5.146801      1.769123      2.578681
  H      -6.280028      1.802445      3.929382
  H      -5.039915     -0.192744      4.938048
  H      -4.132974     -0.317463      3.419704
  H      -6.022749     -1.860910      3.317811
  H      -7.166556     -0.598590      3.826125
  H      -8.831626      1.263520      0.191518
  H      -5.509323     -0.173322     -2.641393
  H      -3.433669     -1.537949     -2.356169
  H      -2.822093     -2.428603     -0.112020
  H      -4.241058     -1.951037      1.853138
  H      -6.079370      6.130060      6.145178
  H      -4.934667      7.055619      7.134303
  H      -3.647448      7.718224      5.143898
  H      -5.344980      8.186776      5.002480
  H      -4.074684      7.071098      2.942028
  H      -4.355792      5.562605      3.799719
  H      -9.017107      7.988394      3.270246
  H      -8.984613      4.948927     -0.170460
  H      -7.304767      3.311542     -1.048135
  H      -5.053692      3.159292     -0.011081
  H      -4.439768      4.629239      1.878594
  H      -5.148438      1.544667      9.661468
  H      -6.377802      1.326948      8.409571
  H      -6.331305      3.445400     10.214597
  H      -5.506173      4.167449      8.833784
  H      -8.269009      2.826688      8.891807
  H      -7.989955      4.547172      8.990872
  H      -6.349451      3.880598      4.082716
  H     -10.798320      4.771138      3.679356
  H     -12.739759      4.960415      5.273808
  H     -12.351085      4.598548      7.712144
  H     -10.122156      4.059578      8.568254
95
Coordinates from ORCA-job orca E -6148.381496463643
  N      -4.338773      2.356346      4.430485
  Mo     -4.705641      3.308142      6.160607
  N      -4.536742      2.120193      7.729235
  C      -3.195449      1.746583      8.177492
  C      -2.218414      1.867357      7.014617
  N      -2.497708      3.116938      6.258896
  C      -2.033612      3.056062      4.849281
  C      -2.944659      2.126711      4.057043
  C      -2.011139      4.327574      6.969154
  C      -2.779422      5.552094      6.490410
  N      -4.204017      5.233653      6.349723
  H      -2.790815      2.304873      2.973533
  H      -2.640939      1.075023      4.231756
  H      -2.099664      4.076256      4.446450
  H      -0.978033      2.733282      4.794592
  H      -2.630112      6.369858      7.222922
  H      -2.348122      5.923138      5.538790
  H      -2.207955      4.168679      8.038197
  H      -0.920894      4.450168      6.834102
  H      -3.173433      0.704892      8.549910
  H      -2.867275      2.379856      9.028976
  H      -2.376535      1.030676      6.321385
  H      -1.169028      1.840243      7.358813
  C      -5.265142      1.521465      3.674907
  C      -5.089992      0.013549      3.891670
  C      -6.253062     -0.798329      3.284283
  C      -6.559281     -0.426961      1.859963
  N      -7.673180      0.268870      1.650361
  C      -7.929892      0.671835      0.378902
  N      -7.195962      0.469583     -0.698270
  C      -6.055016     -0.263091     -0.514732
  C      -5.221674     -0.533498     -1.627811
  C      -4.073923     -1.282972     -1.468252
  C      -3.719543     -1.795938     -0.198718
  C      -4.511453     -1.542012      0.903434
  C      -5.688869     -0.763175      0.774701
  C      -5.024795      6.438962      6.208347
  C      -4.649821      7.328164      5.009233
  C      -4.723820      6.603620      3.665734
  C      -6.088365      6.557493      3.018643
  N      -7.024587      7.388774      3.454122
  C      -8.228731      7.366592      2.822415
  N      -8.591334      6.621688      1.798950
  C      -7.650656      5.741834      1.341355
  C      -7.976297      4.887714      0.259851
  C      -7.052035      3.976940     -0.208287
  C      -5.771584      3.885078      0.384771
  C      -5.423837      4.713840      1.432883
  C      -6.352098      5.660929      1.934075
  C      -5.563715      2.007332      8.768864
  C      -6.220391      3.360671      9.107649
  C      -7.603073      3.595757      8.505539
  C      -7.822529      3.751458      7.021308
  N      -6.812590      3.639361      6.097734
  C      -7.185247      3.905827      4.778299
  N      -8.353847      4.199630      4.304181
  C      -9.398606      4.278227      5.206378
  C     -10.680215      4.593007      4.736251
  C     -11.748862      4.694044      5.623360
  C     -11.525657      4.483355      6.994548
  C     -10.260476      4.178044      7.479993
  C      -9.150151      4.062334      6.597212
  H      -5.175091      1.744946      2.590917
  H      -6.294838      1.786013      3.952149
  H      -5.047214     -0.189316      4.974400
  H      -4.135851     -0.321922      3.459169
  H      -6.020235     -1.872942      3.355787
  H      -7.168377     -0.615586      3.863658
  H      -8.850695      1.248918      0.248669
  H      -5.520915     -0.139610     -2.600093
  H      -3.436058     -1.491454     -2.328901
  H      -2.815924     -2.398383     -0.093787
  H      -4.236322     -1.948377      1.877057
  H      -6.078191      6.137666      6.127551
  H      -4.935307      7.054100      7.127409
  H      -3.630732      7.718467      5.150253
  H      -5.322879      8.196835      4.994839
  H      -4.049592      7.089630      2.938007
  H      -4.343835      5.574773      3.783405
  H      -8.977662      8.059968      3.218916
  H      -8.973830      4.968803     -0.174024
  H      -7.306709      3.307143     -1.031011
  H      -5.058366      3.148567      0.010308
  H      -4.434742      4.632998      1.884483
  H      -5.107733      1.580118      9.678483
  H      -6.344617      1.294672      8.447618
  H      -6.348564      3.439481     10.198934
  H      -5.522352      4.165419      8.821147
  H      -8.261965      2.779735      8.860996
  H      -8.016776      4.504237      8.979044
  H      -6.357139      3.873443      4.065671
  H     -10.803750      4.759171      3.664566
  H     -12.747743      4.937484      5.259500
  H     -12.359498      4.562994      7.695162
  H     -10.131220      4.024930      8.550736
95
Coordinates from ORCA-job orca E -6148.381676199434
  N      -4.374853      2.386471      4.422994
  Mo     -4.717594      3.328246      6.162547
  N      -4.531520      2.132316      7.722161
  C      -3.188728      1.722394      8.132241
  C      -2.229107      1.862476      6.956392
  N      -2.512271      3.126906      6.228137
  C      -2.066759      3.090562      4.811651
  C      -2.987939      2.173122      4.016192
  C      -2.015997      4.323090      6.954746
  C      -2.778593      5.559446      6.496837
  N      -4.204175      5.249653      6.349435
  H      -2.857154      2.373393      2.933595
  H      -2.674134      1.120199      4.163333
  H      -2.138306      4.117793      4.428094
  H      -1.011755      2.769782      4.736676
  H      -2.626297      6.363668      7.243761
  H      -2.344564      5.945737      5.552632
  H      -2.210406      4.148754      8.021856
  H      -0.925399      4.442117      6.818484
  H      -3.176998      0.669010      8.471255
  H      -2.835315      2.321851      8.998057
  H      -2.400436      1.039976      6.249659
  H      -1.174984      1.823121      7.285032
  C      -5.311241      1.545721      3.687101
  C      -5.133116      0.039826      3.915128
  C      -6.293590     -0.775795      3.309515
  C      -6.591372     -0.413487      1.881024
  N      -7.707225      0.275681      1.659224
  C      -7.954067      0.674504      0.384571
  N      -7.208916      0.473949     -0.685367
  C      -6.066297     -0.252966     -0.489275
  C      -5.221105     -0.522000     -1.593710
  C      -4.072048     -1.266985     -1.421744
  C      -3.728007     -1.776475     -0.148064
  C      -4.531281     -1.523085      0.946068
  C      -5.710333     -0.749071      0.804520
  C      -5.015527      6.460407      6.200352
  C      -4.627455      7.344873      5.001619
  C      -4.687012      6.614873      3.660613
  C      -6.049358      6.558319      3.008870
  N      -6.990469      7.391083      3.430431
  C      -8.191509      7.357345      2.793191
  N      -8.547976      6.596457      1.779351
  C      -7.601295      5.717006      1.334095
  C      -7.918901      4.850144      0.260374
  C      -6.986511      3.943416     -0.199258
  C      -5.705632      3.868358      0.395347
  C      -5.366064      4.709125      1.436683
  C      -6.303130      5.651765      1.929927
  C      -5.538949      2.000812      8.779108
  C      -6.227198      3.338140      9.111481
  C      -7.611530      3.554398      8.504535
  C      -7.828901      3.732903      7.022765
  N      -6.814936      3.650307      6.100866
  C      -7.185642      3.937202      4.784956
  N      -8.356027      4.226459      4.312317
  C      -9.404527      4.277137      5.212736
  C     -10.687767      4.587229      4.743888
  C     -11.760775      4.657985      5.628900
  C     -11.540244      4.420868      6.996076
  C     -10.273489      4.120081      7.480610
  C      -9.158596      4.036707      6.600137
  H      -5.235833      1.760063      2.600407
  H      -6.337606      1.811238      3.977277
  H      -5.091188     -0.155010      4.999363
  H      -4.177449     -0.297225      3.487083
  H      -6.061456     -1.850038      3.390027
  H      -7.211976     -0.589603      3.883027
  H      -8.879637      1.241511      0.243373
  H      -5.512347     -0.131269     -2.569727
  H      -3.425273     -1.474522     -2.276002
  H      -2.823319     -2.375649     -0.033604
  H      -4.264663     -1.926917      1.923165
  H      -6.070160      6.164993      6.112047
  H      -4.929285      7.076653      7.118802
  H      -3.610273      7.736606      5.151457
  H      -5.300495      8.213492      4.975901
  H      -4.010467      7.101330      2.935335
  H      -4.305229      5.587667      3.785615
  H      -8.944025      8.054439      3.176105
  H      -8.916573      4.919080     -0.175355
  H      -7.233811      3.265201     -1.017247
  H      -4.984975      3.135873      0.027039
  H      -4.376388      4.640612      1.888944
  H      -5.051221      1.608298      9.688160
  H      -6.302024      1.255680      8.488549
  H      -6.366561      3.407096     10.202226
  H      -5.541056      4.157723      8.837983
  H      -8.254068      2.718156      8.842855
  H      -8.046114      4.444804      8.993221
  H      -6.353479      3.927237      4.075591
  H     -10.808338      4.773421      3.675163
  H     -12.761256      4.897433      5.266657
  H     -12.377808      4.475454      7.694759
  H     -10.147755      3.944393      8.548310
95
Coordinates from ORCA-job orca E -6148.381778379273
  N      -4.416879      2.416489      4.414220
  Mo     -4.734015      3.347880      6.163797
  N      -4.531384      2.146358      7.716955
  C      -3.189215      1.702139      8.088455
  C      -2.246354      1.860024      6.901577
  N      -2.532429      3.137368      6.200115
  C      -2.105718      3.121209      4.778441
  C      -3.036670      2.216119      3.980630
  C      -2.026299      4.320832      6.938397
  C      -2.783168      5.566571      6.496221
  N      -4.209607      5.267214      6.343381
  H      -2.923730      2.440495      2.900596
  H      -2.719611      1.160853      4.099962
  H      -2.182185      4.154085      4.411561
  H      -1.051919      2.801392      4.683912
  H      -2.626505      6.360266      7.253369
  H      -2.346812      5.962222      5.556814
  H      -2.218582      4.134645      8.004046
  H      -0.935581      4.435780      6.799299
  H      -3.187911      0.638715      8.395647
  H      -2.813135      2.270480      8.965588
  H      -2.429907      1.051111      6.182573
  H      -1.188084      1.809826      7.215910
  C      -5.358794      1.572765      3.689724
  C      -5.173056      0.068065      3.921320
  C      -6.324237     -0.758814      3.311748
  C      -6.613251     -0.409784      1.877156
  N      -7.732022      0.268811      1.636941
  C      -7.966525      0.658707      0.357272
  N      -7.205849      0.458908     -0.702242
  C      -6.061363     -0.259424     -0.487705
  C      -5.200518     -0.529071     -1.579972
  C      -4.049618     -1.267253     -1.390036
  C      -3.719096     -1.768635     -0.109681
  C      -4.537383     -1.513495      0.973121
  C      -5.718506     -0.746549      0.812858
  C      -5.008391      6.484141      6.186168
  C      -4.599123      7.359577      4.988366
  C      -4.643645      6.621704      3.651645
  C      -5.997854      6.563309      2.984680
  N      -6.938354      7.407365      3.383865
  C      -8.131022      7.375705      2.730071
  N      -8.479988      6.603795      1.722329
  C      -7.534477      5.710626      1.301149
  C      -7.845635      4.831171      0.235857
  C      -6.913846      3.913233     -0.201941
  C      -5.639537      3.839194      0.407153
  C      -5.306095      4.691943      1.440906
  C      -6.243393      5.645593      1.912550
  C      -5.513044      2.005483      8.796522
  C      -6.233954      3.325616      9.124700
  C      -7.628120      3.506648      8.529037
  C      -7.852285      3.718132      7.053326
  N      -6.839376      3.668465      6.128231
  C      -7.215586      3.978095      4.819824
  N      -8.390866      4.263332      4.355260
  C      -9.437221      4.284856      5.259240
  C     -10.725559      4.591507      4.800874
  C     -11.796847      4.628945      5.689939
  C     -11.571331      4.360604      7.050563
  C     -10.300142      4.062816      7.525119
  C      -9.186291      4.015555      6.640680
  H      -5.293031      1.784057      2.602098
  H      -6.383879      1.836797      3.989027
  H      -5.135393     -0.123400      5.006246
  H      -4.213264     -0.265319      3.499473
  H      -6.085011     -1.830805      3.400618
  H      -7.248315     -0.574995      3.877261
  H      -8.896248      1.215249      0.201190
  H      -5.481911     -0.145051     -2.561639
  H      -3.390976     -1.475551     -2.235102
  H      -2.812973     -2.362868      0.019085
  H      -4.280974     -1.910852      1.955679
  H      -6.063900      6.195217      6.087305
  H      -4.927094      7.103453      7.102925
  H      -3.580921      7.744880      5.148735
  H      -5.266319      8.232508      4.949591
  H      -3.955627      7.100658      2.932228
  H      -4.267830      5.593578      3.788859
  H      -8.882043      8.085427      3.092046
  H      -8.838531      4.899954     -0.210874
  H      -7.157010      3.225212     -1.012722
  H      -4.918804      3.098281      0.055934
  H      -4.321599      4.623152      1.904308
  H      -4.991112      1.650865      9.702719
  H      -6.257604      1.228282      8.543158
  H      -6.367700      3.389485     10.216625
  H      -5.571168      4.163581      8.848826
  H      -8.241269      2.641527      8.848882
  H      -8.089892      4.369709      9.041341
  H      -6.385350      3.981508      4.107855
  H     -10.851219      4.800632      3.736965
  H     -12.800917      4.865507      5.335372
  H     -12.408305      4.387164      7.751706
  H     -10.169322      3.859964      8.587430
95
Coordinates from ORCA-job orca E -6148.381884916594
  N      -4.422623      2.438069      4.405042
  Mo     -4.732619      3.362420      6.161308
  N      -4.522062      2.157473      7.709535
  C      -3.180825      1.697558      8.065920
  C      -2.242852      1.863811      6.875703
  N      -2.529870      3.146742      6.184986
  C      -2.109605      3.139409      4.760752
  C      -3.045595      2.241969      3.960057
  C      -2.018251      4.324465      6.929876
  C      -2.775724      5.574980      6.502079
  N      -4.203777      5.279820      6.350818
  H      -2.939420      2.477256      2.881589
  H      -2.729730      1.185232      4.067010
  H      -2.187687      4.174711      4.401835
  H      -1.056517      2.819642      4.659155
  H      -2.614984      6.361538      7.265751
  H      -2.342226      5.978091      5.564714
  H      -2.205319      4.129542      7.994852
  H      -0.928196      4.439816      6.785993
  H      -3.185050      0.630194      8.359287
  H      -2.797834      2.253102      8.947839
  H      -2.429865      1.060688      6.151301
  H      -1.183314      1.810092      7.185132
  C      -5.368603      1.593466      3.687534
  C      -5.188086      0.089324      3.928954
  C      -6.346070     -0.736161      3.330971
  C      -6.636384     -0.397349      1.894600
  N      -7.751388      0.286266      1.651396
  C      -7.985939      0.667149      0.369230
  N      -7.226032      0.458622     -0.689330
  C      -6.086636     -0.266705     -0.471857
  C      -5.228880     -0.549193     -1.563320
  C      -4.084803     -1.297212     -1.370789
  C      -3.758138     -1.795918     -0.088354
  C      -4.572992     -1.527584      0.993856
  C      -5.746562     -0.749630      0.830938
  C      -5.001217      6.498415      6.200442
  C      -4.596669      7.379851      5.004298
  C      -4.632229      6.643299      3.666637
  C      -5.984099      6.571341      2.996687
  N      -6.936952      7.400666      3.396984
  C      -8.128365      7.353263      2.741331
  N      -8.465171      6.578092      1.732131
  C      -7.507110      5.698090      1.311373
  C      -7.804738      4.814491      0.245715
  C      -6.859778      3.909348     -0.190750
  C      -5.585710      3.851989      0.420757
  C      -5.265671      4.708961      1.455287
  C      -6.216139      5.650721      1.924058
  C      -5.494007      2.008881      8.796208
  C      -6.240078      3.317066      9.113050
  C      -7.635156      3.477512      8.511870
  C      -7.855456      3.705993      7.038294
  N      -6.837911      3.676305      6.117678
  C      -7.210208      4.000116      4.811479
  N      -8.385540      4.280774      4.344795
  C      -9.436196      4.280796      5.243313
  C     -10.725223      4.580601      4.781837
  C     -11.801524      4.594634      5.665061
  C     -11.581210      4.309725      7.023297
  C     -10.309756      4.018810      7.501069
  C      -9.190318      3.995284      6.622430
  H      -5.305379      1.796939      2.598429
  H      -6.390908      1.862343      3.990722
  H      -5.146735     -0.094562      5.015077
  H      -4.231441     -0.252067      3.506382
  H      -6.114348     -1.809079      3.428483
  H      -7.267154     -0.540549      3.897330
  H      -8.911412      1.229861      0.210970
  H      -5.507727     -0.167696     -2.546683
  H      -3.428927     -1.515601     -2.215414
  H      -2.857953     -2.398646      0.042367
  H      -4.319738     -1.922580      1.978141
  H      -6.056665      6.208216      6.102995
  H      -4.918272      7.115085      7.118799
  H      -3.582233      7.773930      5.166518
  H      -5.272312      8.246218      4.967746
  H      -3.944157      7.124246      2.948857
  H      -4.249107      5.618180      3.805996
  H      -8.889208      8.052694      3.102718
  H      -8.797834      4.869910     -0.202398
  H      -7.091969      3.218366     -1.002375
  H      -4.854951      3.120581      0.070589
  H      -4.281712      4.652526      1.921236
  H      -4.957085      1.680967      9.704343
  H      -6.222373      1.210606      8.561513
  H      -6.380369      3.378005     10.204346
  H      -5.590141      4.166244      8.841185
  H      -8.234868      2.598366      8.818331
  H      -8.113735      4.326552      9.032062
  H      -6.376361      4.017706      4.104417
  H     -10.846548      4.802769      3.720057
  H     -12.806003      4.825729      5.308056
  H     -12.422431      4.317533      7.719727
  H     -10.182467      3.802015      8.561016
95
Coordinates from ORCA-job orca E -6148.381962584106
  N      -4.415394      2.440378      4.390161
  Mo     -4.727600      3.362916      6.150511
  N      -4.516817      2.163983      7.700927
  C      -3.178503      1.689476      8.050793
  C      -2.239359      1.857734      6.861464
  N      -2.522916      3.143062      6.174440
  C      -2.102066      3.137449      4.750038
  C      -3.038230      2.243456      3.946748
  C      -2.008459      4.318494      6.921692
  C      -2.766278      5.570910      6.501990
  N      -4.195650      5.280026      6.353701
  H      -2.928623      2.483281      2.869503
  H      -2.727000      1.185232      4.050601
  H      -2.181425      4.173219      4.393183
  H      -1.049020      2.817732      4.648786
  H      -2.601421      6.353681      7.268683
  H      -2.335360      5.977097      5.564729
  H      -2.191940      4.118983      7.986429
  H      -0.919102      4.434535      6.773780
  H      -3.190420      0.620047      8.336170
  H      -2.794238      2.238262      8.936024
  H      -2.426825      1.057358      6.134214
  H      -1.180178      1.801344      7.171609
  C      -5.360780      1.596424      3.671925
  C      -5.192308      0.092476      3.928901
  C      -6.353678     -0.732566      3.336056
  C      -6.632534     -0.408209      1.894080
  N      -7.738397      0.284147      1.634533
  C      -7.957622      0.655332      0.346846
  N      -7.189226      0.431255     -0.702475
  C      -6.059674     -0.303934     -0.468395
  C      -5.194002     -0.603795     -1.548986
  C      -4.059936     -1.362250     -1.339362
  C      -3.750783     -1.853861     -0.049719
  C      -4.573118     -1.568119      1.022256
  C      -5.737127     -0.779700      0.841463
  C      -4.990872      6.500773      6.215201
  C      -4.596736      7.388751      5.018474
  C      -4.647945      6.657256      3.678394
  C      -6.004616      6.599520      3.017609
  N      -6.953064      7.425050      3.434837
  C      -8.151483      7.382084      2.790608
  N      -8.498575      6.615244      1.778467
  C      -7.545750      5.736796      1.342499
  C      -7.855383      4.857881      0.276363
  C      -6.916266      3.952586     -0.172629
  C      -5.636470      3.890427      0.426145
  C      -5.305079      4.742700      1.461217
  C      -6.249154      5.684860      1.941851
  C      -5.482141      2.011391      8.791451
  C      -6.245917      3.310068      9.101592
  C      -7.639827      3.458581      8.494635
  C      -7.849609      3.704720      7.022778
  N      -6.826094      3.684118      6.109323
  C      -7.191029      4.017415      4.803711
  N      -8.362933      4.304290      4.332260
  C      -9.418748      4.296695      5.223509
  C     -10.705288      4.600710      4.756957
  C     -11.786944      4.604413      5.633102
  C     -11.575694      4.304989      6.989987
  C     -10.307235      4.009954      7.472579
  C      -9.181964      3.996807      6.600913
  H      -5.287266      1.788398      2.581852
  H      -6.382130      1.874727      3.968868
  H      -5.156241     -0.080072      5.017090
  H      -4.236935     -0.260926      3.513263
  H      -6.131080     -1.806059      3.446631
  H      -7.275908     -0.521928      3.895172
  H      -8.876825      1.223973      0.174839
  H      -5.459343     -0.227366     -2.538032
  H      -3.398231     -1.594085     -2.175801
  H      -2.858324     -2.464908      0.094567
  H      -4.332971     -1.956506      2.012486
  H      -6.047538      6.212578      6.125465
  H      -4.898706      7.114178      7.134872
  H      -3.581403      7.783666      5.172172
  H      -5.275376      8.253155      4.995432
  H      -3.955532      7.124821      2.956402
  H      -4.277487      5.627002      3.816362
  H      -8.909185      8.076813      3.167260
  H      -8.852870      4.916677     -0.161465
  H      -7.158149      3.264446     -0.984082
  H      -4.911431      3.158550      0.065558
  H      -4.317903      4.681519      1.919206
  H      -4.935201      1.703997      9.701660
  H      -6.197748      1.198025      8.569521
  H      -6.390967      3.365474     10.192511
  H      -5.605273      4.167719      8.834449
  H      -8.232035      2.569050      8.785645
  H      -8.131530      4.296106      9.021001
  H      -6.353287      4.040698      4.103094
  H     -10.819605      4.833192      3.696554
  H     -12.789249      4.838607      5.271966
  H     -12.421486      4.304512      7.680818
  H     -10.185375      3.781550      8.530762
95
Coordinates from ORCA-job orca E -6148.382083188121
  N      -4.430651      2.463351      4.385745
  Mo     -4.726011      3.377410      6.155011
  N      -4.503001      2.181233      7.704148
  C      -3.166010      1.679758      8.025104
  C      -2.238243      1.856256      6.827482
  N      -2.521706      3.150135      6.157480
  C      -2.113419      3.158083      4.729304
  C      -3.057574      2.272624      3.925679
  C      -1.998496      4.316750      6.912436
  C      -2.754411      5.575786      6.508501
  N      -4.185598      5.292037      6.362257
  H      -2.958048      2.527257      2.850820
  H      -2.746240      1.213005      4.012260
  H      -2.196669      4.197248      4.383109
  H      -1.061404      2.839276      4.615956
  H      -2.583629      6.350404      7.282292
  H      -2.325638      5.989736      5.573595
  H      -2.176031      4.107300      7.976298
  H      -0.909857      4.431323      6.758409
  H      -3.189393      0.605778      8.291489
  H      -2.765338      2.208795      8.914917
  H      -2.436652      1.065096      6.093049
  H      -1.176428      1.790556      7.126619
  C      -5.381900      1.616525      3.678708
  C      -5.220897      0.114752      3.952343
  C      -6.387030     -0.708354      3.366055
  C      -6.662302     -0.390183      1.922383
  N      -7.765238      0.304984      1.658043
  C      -7.978898      0.674263      0.368849
  N      -7.208142      0.444758     -0.677518
  C      -6.081946     -0.293921     -0.438570
  C      -5.213843     -0.599029     -1.515776
  C      -4.083041     -1.360711     -1.300877
  C      -3.779500     -1.850462     -0.009102
  C      -4.604142     -1.559638      1.059636
  C      -5.765071     -0.767936      0.873320
  C      -4.975368      6.515553      6.218375
  C      -4.577526      7.398089      5.017716
  C      -4.623333      6.660184      3.680343
  C      -5.973928      6.610997      3.006282
  N      -6.918189      7.449287      3.406946
  C      -8.109278      7.415207      2.748372
  N      -8.452211      6.647334      1.735713
  C      -7.504720      5.754561      1.317684
  C      -7.812191      4.871071      0.254629
  C      -6.879211      3.950174     -0.175149
  C      -5.607419      3.877883      0.439002
  C      -5.277934      4.734524      1.471176
  C      -6.216450      5.691369      1.933639
  C      -5.448571      2.023746      8.810210
  C      -6.254045      3.301255      9.096978
  C      -7.647919      3.409506      8.479184
  C      -7.857048      3.679009      7.011350
  N      -6.829930      3.690840      6.102214
  C      -7.194147      4.046458      4.802068
  N      -8.368064      4.326930      4.331850
  C      -9.427871      4.280735      5.216768
  C     -10.717889      4.569868      4.750037
  C     -11.803819      4.533183      5.619757
  C     -11.593973      4.208131      6.971173
  C     -10.322649      3.927314      7.454002
  C      -9.192428      3.955400      6.588678
  H      -5.310228      1.795283      2.586633
  H      -6.400347      1.903904      3.976768
  H      -5.187523     -0.047030      5.042261
  H      -4.267167     -0.248389      3.541323
  H      -6.171543     -1.782488      3.483458
  H      -7.307944     -0.487477      3.923327
  H      -8.896725      1.243551      0.191956
  H      -5.474947     -0.223846     -2.506407
  H      -3.419507     -1.596612     -2.134699
  H      -2.889582     -2.464182      0.139338
  H      -4.368152     -1.946312      2.051536
  H      -6.033217      6.231095      6.129180
  H      -4.881022      7.132772      7.135239
  H      -3.563191      7.794287      5.173690
  H      -5.257016      8.261575      4.989624
  H      -3.919399      7.116117      2.962086
  H      -4.262825      5.627623      3.827407
  H      -8.863921      8.119748      3.112753
  H      -8.803590      4.938578     -0.195549
  H      -7.120832      3.257759     -0.983030
  H      -4.887545      3.134223      0.092551
  H      -4.297307      4.664829      1.941708
  H      -4.878102      1.766141      9.721628
  H      -6.136585      1.177424      8.624766
  H      -6.409979      3.357632     10.186329
  H      -5.635051      4.175479      8.832263
  H      -8.209968      2.493974      8.748759
  H      -8.172926      4.218532      9.017122
  H      -6.354309      4.094643      4.104730
  H     -10.831629      4.822006      3.694049
  H     -12.808584      4.755398      5.257953
  H     -12.443251      4.175661      7.656869
  H     -10.200987      3.676768      8.507162
95
Coordinates from ORCA-job orca E -6148.382253324758
  N      -4.452778      2.490402      4.383450
  Mo     -4.727377      3.394094      6.163442
  N      -4.488008      2.205890      7.715210
  C      -3.154035      1.672300      8.001430
  C      -2.241777      1.855129      6.793087
  N      -2.523857      3.158656      6.142355
  C      -2.129949      3.180836      4.710500
  C      -3.083287      2.303555      3.908207
  C      -1.990791      4.315397      6.905541
  C      -2.743989      5.581771      6.516836
  N      -4.177198      5.306008      6.373507
  H      -2.993111      2.572141      2.835940
  H      -2.772391      1.242565      3.977838
  H      -2.216828      4.223278      4.374995
  H      -1.079287      2.862671      4.584107
  H      -2.566542      6.348822      7.296790
  H      -2.317537      6.002587      5.583869
  H      -2.162292      4.096094      7.968343
  H      -0.902835      4.427593      6.745147
  H      -3.193299      0.594430      8.248473
  H      -2.731269      2.178383      8.894395
  H      -2.456382      1.075180      6.051264
  H      -1.176785      1.776278      7.077384
  C      -5.409647      1.644191      3.682815
  C      -5.258453      0.145060      3.974989
  C      -6.425640     -0.678967      3.390352
  C      -6.696384     -0.365986      1.944727
  N      -7.798523      0.328613      1.675823
  C      -8.009319      0.693406      0.384772
  N      -7.236953      0.459105     -0.659060
  C      -6.111798     -0.279713     -0.415519
  C      -5.242515     -0.590019     -1.490294
  C      -4.112771     -1.351631     -1.270577
  C      -3.812011     -1.837194      0.023474
  C      -4.638258     -1.542177      1.089688
  C      -5.797605     -0.749263      0.898662
  C      -4.961833      6.531559      6.220881
  C      -4.557902      7.405485      5.015251
  C      -4.596035      6.657621      3.682720
  C      -5.937485      6.618584      2.990136
  N      -6.876708      7.473626      3.366205
  C      -8.057277      7.447682      2.688488
  N      -8.392950      6.675914      1.676463
  C      -7.450815      5.766498      1.283201
  C      -7.752303      4.876939      0.223375
  C      -6.825747      3.937633     -0.179738
  C      -5.566376      3.853434      0.457677
  C      -5.242468      4.716149      1.486407
  C      -6.174790      5.691375      1.922426
  C      -5.408536      2.047539      8.841061
  C      -6.259481      3.299639      9.099452
  C      -7.652669      3.359555      8.471771
  C      -7.863877      3.651237      7.008635
  N      -6.833293      3.697017      6.104948
  C      -7.196977      4.074232      4.810581
  N      -8.373186      4.345145      4.340540
  C      -9.436957      4.257694      5.217624
  C     -10.730469      4.527974      4.749355
  C     -11.820455      4.448323      5.610821
  C     -11.611449      4.098703      6.956463
  C     -10.337266      3.835648      7.440833
  C      -9.202352      3.908245      6.583902
  H      -5.333795      1.809187      2.589246
  H      -6.426274      1.944009      3.974512
  H      -5.232972     -0.003942      5.066845
  H      -4.303984     -0.226787      3.573642
  H      -6.213658     -1.753038      3.513711
  H      -7.346916     -0.451892      3.944270
  H      -8.924012      1.266702      0.204354
  H      -5.501775     -0.218104     -2.482602
  H      -3.448051     -1.591409     -2.102313
  H      -2.922894     -2.451102      0.175709
  H      -4.404531     -1.926200      2.083038
  H      -6.020777      6.251060      6.131295
  H      -4.866597      7.154376      7.133855
  H      -3.544822      7.803073      5.174842
  H      -5.237781      8.268286      4.978035
  H      -3.877316      7.098566      2.969696
  H      -4.249039      5.622078      3.842819
  H      -8.808458      8.165269      3.034141
  H      -8.734418      4.954392     -0.245088
  H      -7.064587      3.239899     -0.983726
  H      -4.852027      3.095182      0.131898
  H      -4.271928      4.636636      1.976085
  H      -4.812067      1.850681      9.751123
  H      -6.063494      1.166048      8.701116
  H      -6.424769      3.362664     10.187033
  H      -5.665359      4.190161      8.831531
  H      -8.176634      2.415091      8.718601
  H      -8.215700      4.133629      9.021270
  H      -6.356017      4.144453      4.115705
  H     -10.844506      4.798965      3.698095
  H     -12.827668      4.655404      5.247022
  H     -12.463992      4.032051      7.635523
  H     -10.215452      3.563202      8.488511
95
Coordinates from ORCA-job orca E -6148.382499522763
  N      -4.465939      2.503618      4.385260
  Mo     -4.721480      3.405290      6.171793
  N      -4.468976      2.237323      7.737253
  C      -3.139940      1.677068      7.998756
  C      -2.243039      1.850524      6.778337
  N      -2.518504      3.157979      6.133315
  C      -2.135503      3.179660      4.699088
  C      -3.098857      2.305445      3.905087
  C      -1.974297      4.309819      6.895301
  C      -2.722762      5.581172      6.511539
  N      -4.157773      5.312978      6.376900
  H      -3.011268      2.571903      2.832209
  H      -2.793446      1.242693      3.973716
  H      -2.221335      4.222142      4.363169
  H      -1.086916      2.857565      4.565663
  H      -2.536826      6.347450      7.290413
  H      -2.299513      6.000342      5.576461
  H      -2.139354      4.089996      7.958783
  H      -0.886919      4.416760      6.727312
  H      -3.197165      0.599188      8.241066
  H      -2.694378      2.169628      8.888540
  H      -2.478632      1.075829      6.037502
  H      -1.175391      1.756353      7.047809
  C      -5.430822      1.663694      3.688529
  C      -5.305218      0.167328      4.003916
  C      -6.475160     -0.648991      3.411565
  C      -6.729257     -0.337123      1.962346
  N      -7.822794      0.366433      1.682674
  C      -8.019141      0.731277      0.389064
  N      -7.241860      0.485389     -0.647901
  C      -6.124965     -0.262513     -0.393303
  C      -5.250563     -0.583589     -1.460706
  C      -4.128023     -1.352216     -1.229655
  C      -3.840515     -1.835204      0.068358
  C      -4.672563     -1.530925      1.127332
  C      -5.824549     -0.730222      0.924880
  C      -4.938346      6.540211      6.216649
  C      -4.528910      7.405292      5.006623
  C      -4.574026      6.651743      3.677663
  C      -5.911269      6.635401      2.976134
  N      -6.835578      7.512380      3.339087
  C      -8.010805      7.505961      2.652130
  N      -8.353413      6.736518      1.640496
  C      -7.425744      5.807874      1.258211
  C      -7.734782      4.921874      0.197348
  C      -6.823589      3.962486     -0.193663
  C      -5.572723      3.854966      0.456455
  C      -5.241325      4.714228      1.485372
  C      -6.157654      5.709364      1.909715
  C      -5.368475      2.091472      8.880220
  C      -6.264597      3.317419      9.101686
  C      -7.654515      3.313520      8.464369
  C      -7.866996      3.617954      7.004295
  N      -6.830589      3.700044      6.110221
  C      -7.190345      4.099030      4.821521
  N      -8.368154      4.353346      4.345919
  C      -9.438504      4.217955      5.209872
  C     -10.734331      4.461387      4.734166
  C     -11.830211      4.335072      5.582639
  C     -11.624336      3.965128      6.923496
  C     -10.348293      3.727419      7.415227
  C      -9.207436      3.848009      6.571644
  H      -5.343058      1.810392      2.593513
  H      -6.444793      1.986542      3.965257
  H      -5.297737      0.033987      5.097930
  H      -4.349945     -0.221403      3.620683
  H      -6.273831     -1.724382      3.540547
  H      -7.398849     -0.411028      3.956437
  H      -8.926038      1.314185      0.199623
  H      -5.499816     -0.212882     -2.456008
  H      -3.458742     -1.600147     -2.055344
  H      -2.956693     -2.454445      0.229631
  H      -4.449248     -1.914202      2.123318
  H      -5.998903      6.265695      6.127973
  H      -4.840494      7.167566      7.126338
  H      -3.512728      7.794897      5.165246
  H      -5.200996      8.274038      4.965250
  H      -3.845084      7.079127      2.966315
  H      -4.244415      5.611009      3.842609
  H      -8.750384      8.239787      2.988758
  H      -8.710274      5.018166     -0.281284
  H      -7.069657      3.267554     -0.997788
  H      -4.871184      3.080385      0.141063
  H      -4.278062      4.616174      1.986402
  H      -4.753097      1.957643      9.789470
  H      -5.990218      1.179416      8.786844
  H      -6.437920      3.400639     10.186574
  H      -5.698572      4.221338      8.817224
  H      -8.129862      2.338352      8.692238
  H      -8.262385      4.047641      9.019389
  H      -6.346105      4.196555      4.133194
  H     -10.847006      4.749812      3.687455
  H     -12.839061      4.521256      5.212305
  H     -12.481440      3.861677      7.592146
  H     -10.228222      3.436061      8.458060
95
Coordinates from ORCA-job orca E -6148.382814822685
  N      -4.478290      2.505759      4.395889
  Mo     -4.714871      3.409430      6.186498
  N      -4.447687      2.272778      7.775804
  C      -3.122148      1.703363      8.028578
  C      -2.242272      1.850280      6.794036
  N      -2.511623      3.152729      6.136999
  C      -2.137802      3.156475      4.701315
  C      -3.111914      2.279879      3.923911
  C      -1.956553      4.308223      6.884031
  C      -2.703206      5.578445      6.492575
  N      -4.139250      5.313416      6.377656
  H      -3.020047      2.525876      2.846517
  H      -2.817404      1.215025      4.009678
  H      -2.218081      4.195209      4.352436
  H      -1.092078      2.825645      4.565632
  H      -2.506580      6.354189      7.259353
  H      -2.288622      5.984265      5.547876
  H      -2.112126      4.100403      7.951026
  H      -0.870277      4.408996      6.704830
  H      -3.190538      0.629936      8.287498
  H      -2.657210      2.200387      8.906459
  H      -2.501463      1.071476      6.065622
  H      -1.171946      1.743688      7.048306
  C      -5.451808      1.685379      3.688579
  C      -5.365708      0.190110      4.019167
  C      -6.536619     -0.612364      3.407488
  C      -6.766996     -0.297693      1.954322
  N      -7.847058      0.420491      1.660909
  C      -8.024392      0.785180      0.364200
  N      -7.242045      0.521983     -0.664224
  C      -6.137163     -0.239008     -0.394899
  C      -5.256681     -0.575405     -1.452463
  C      -4.143983     -1.353637     -1.206319
  C      -3.873595     -1.831617      0.097099
  C      -4.712857     -1.513798      1.146432
  C      -5.855103     -0.703557      0.928384
  C      -4.920824      6.539634      6.213937
  C      -4.510703      7.399823      5.002124
  C      -4.563127      6.643838      3.675658
  C      -5.898061      6.640107      2.970294
  N      -6.813183      7.528753      3.329488
  C      -7.985878      7.535534      2.639343
  N      -8.333874      6.769759      1.626674
  C      -7.414355      5.832341      1.245684
  C      -7.727596      4.953883      0.179628
  C      -6.825060      3.985542     -0.209619
  C      -5.579639      3.860929      0.447806
  C      -5.243754      4.713435      1.480358
  C      -6.150511      5.717921      1.902820
  C      -5.333876      2.150761      8.929930
  C      -6.261593      3.358899      9.111462
  C      -7.645866      3.288319      8.467205
  C      -7.856755      3.593100      7.006788
  N      -6.813932      3.700155      6.121922
  C      -7.168756      4.110558      4.835894
  N      -8.346922      4.346195      4.350832
  C      -9.423658      4.170146      5.200958
  C     -10.720334      4.381142      4.713498
  C     -11.821837      4.216024      5.548435
  C     -11.619975      3.839514      6.888097
  C     -10.343339      3.632634      7.391474
  C      -9.197299      3.792533      6.561824
  H      -5.339729      1.819867      2.594003
  H      -6.463196      2.038104      3.937784
  H      -5.385323      0.068526      5.114207
  H      -4.408835     -0.218079      3.660406
  H      -6.347505     -1.689558      3.539169
  H      -7.465191     -0.364422      3.939181
  H      -8.919996      1.381947      0.163758
  H      -5.492876     -0.207018     -2.451803
  H      -3.469011     -1.613261     -2.023794
  H      -2.996848     -2.457601      0.270703
  H      -4.502762     -1.894610      2.146256
  H      -5.981849      6.266776      6.127293
  H      -4.822671      7.169035      7.122372
  H      -3.491512      7.782644      5.158231
  H      -5.175753      8.274014      4.958570
  H      -3.832440      7.069125      2.964248
  H      -4.239429      5.601215      3.839958
  H      -8.718201      8.277864      2.973343
  H      -8.698883      5.063369     -0.304695
  H      -7.074804      3.297577     -1.018376
  H      -4.885347      3.078360      0.135744
  H      -4.284253      4.604365      1.986668
  H      -4.708834      2.064994      9.839058
  H      -5.933276      1.220494      8.873204
  H      -6.438793      3.477646     10.192158
  H      -5.719028      4.266779      8.795103
  H      -8.071917      2.287826      8.684653
  H      -8.296820      3.985571      9.019696
  H      -6.321007      4.232899      4.155064
  H     -10.832058      4.677337      3.668958
  H     -12.831208      4.377209      5.168051
  H     -12.481370      3.705853      7.545891
  H     -10.225983      3.333254      8.432456
95
Coordinates from ORCA-job orca E -6148.383157915598
  N      -4.491150      2.511792      4.388868
  Mo     -4.709701      3.414172      6.182903
  N      -4.430043      2.297991      7.786667
  C      -3.111176      1.711081      8.023277
  C      -2.246422      1.842934      6.776041
  N      -2.509470      3.145791      6.117644
  C      -2.145254      3.144649      4.679599
  C      -3.130013      2.272982      3.910190
  C      -1.943963      4.298371      6.860166
  C      -2.685247      5.572280      6.470881
  N      -4.122144      5.312773      6.362526
  H      -3.044610      2.511540      2.830560
  H      -2.840182      1.206925      3.998429
  H      -2.220458      4.183092      4.329038
  H      -1.102473      2.807274      4.536693
  H      -2.481907      6.347569      7.236373
  H      -2.272007      5.975913      5.524840
  H      -2.094972      4.093585      7.928232
  H      -0.857867      4.393206      6.675980
  H      -3.191771      0.638976      8.286082
  H      -2.626188      2.200305      8.894701
  H      -2.525872      1.064704      6.054612
  H      -1.173990      1.723559      7.015898
  C      -5.474770      1.700317      3.686407
  C      -5.420688      0.208386      4.038122
  C      -6.592665     -0.582673      3.414486
  C      -6.793486     -0.279135      1.954695
  N      -7.856590      0.453310      1.636076
  C      -8.006376      0.808084      0.333175
  N      -7.210074      0.524336     -0.679056
  C      -6.121436     -0.250428     -0.383256
  C      -5.227134     -0.608178     -1.421943
  C      -4.130072     -1.399904     -1.149148
  C      -3.889784     -1.869886      0.162953
  C      -4.743108     -1.530985      1.194387
  C      -5.869863     -0.707270      0.948748
  C      -4.900521      6.543077      6.205961
  C      -4.486500      7.413316      5.002875
  C      -4.537709      6.672297      3.668259
  C      -5.874696      6.673085      2.965452
  N      -6.787505      7.561142      3.333132
  C      -7.963989      7.571733      2.649998
  N      -8.320267      6.806452      1.639561
  C      -7.402974      5.870559      1.249366
  C      -7.723054      4.995974      0.182242
  C      -6.821400      4.031754     -0.219182
  C      -5.571117      3.905495      0.428831
  C      -5.228956      4.753226      1.463112
  C      -6.133502      5.755014      1.896663
  C      -5.298383      2.194866      8.955167
  C      -6.268928      3.372210      9.103995
  C      -7.648596      3.231941      8.460200
  C      -7.867498      3.562321      7.007661
  N      -6.823125      3.705349      6.130516
  C      -7.177881      4.141873      4.854124
  N      -8.357404      4.370845      4.368473
  C      -9.435183      4.152872      5.208366
  C     -10.732858      4.350592      4.718920
  C     -11.835381      4.141007      5.543041
  C     -11.633011      3.732694      6.873253
  C     -10.355254      3.538557      7.379181
  C      -9.208813      3.744176      6.560640
  H      -5.353163      1.817800      2.590860
  H      -6.481712      2.075548      3.921748
  H      -5.462207      0.102937      5.134175
  H      -4.463541     -0.219682      3.703775
  H      -6.420972     -1.661170      3.559906
  H      -7.526578     -0.316574      3.927609
  H      -8.890057      1.415144      0.111819
  H      -5.440261     -0.245192     -2.428431
  H      -3.444154     -1.676159     -1.951967
  H      -3.025025     -2.506290      0.357716
  H      -4.556340     -1.905761      2.201204
  H      -5.962166      6.274208      6.115688
  H      -4.803068      7.163795      7.120550
  H      -3.466551      7.791947      5.164841
  H      -5.147683      8.290621      4.964300
  H      -3.812271      7.113477      2.960820
  H      -4.207935      5.630022      3.817460
  H      -8.693090      8.315034      2.988850
  H      -8.697926      5.106107     -0.294704
  H      -7.074518      3.348862     -1.031322
  H      -4.877201      3.126094      0.108209
  H      -4.265608      4.643391      1.961595
  H      -4.659494      2.169410      9.859322
  H      -5.862980      1.241143      8.945509
  H      -6.450092      3.510423     10.181493
  H      -5.761071      4.291983      8.765171
  H      -8.018503      2.205004      8.657645
  H      -8.338636      3.881044      9.023396
  H      -6.328723      4.288677      4.181202
  H     -10.845457      4.672331      3.682025
  H     -12.845840      4.291531      5.161147
  H     -12.495327      3.563521      7.521712
  H     -10.237827      3.212430      8.412261
95
Coordinates from ORCA-job orca E -6148.383641650868
  N      -4.498447      2.492947      4.384099
  Mo     -4.703948      3.396586      6.175672
  N      -4.408344      2.304094      7.796853
  C      -3.090502      1.730000      8.035905
  C      -2.239173      1.836463      6.775460
  N      -2.506802      3.128238      6.097040
  C      -2.150588      3.108242      4.656721
  C      -3.145055      2.238403      3.899304
  C      -1.935851      4.289959      6.820697
  C      -2.682147      5.558312      6.426471
  N      -4.118504      5.291919      6.334069
  H      -3.070869      2.456373      2.814446
  H      -2.858271      1.172301      4.001645
  H      -2.217360      4.144031      4.297365
  H      -1.111318      2.761954      4.508330
  H      -2.474012      6.340188      7.183641
  H      -2.277482      5.954852      5.473772
  H      -2.078278      4.099069      7.892499
  H      -0.850837      4.383726      6.629015
  H      -3.162006      0.662343      8.323930
  H      -2.595810      2.234916      8.892656
  H      -2.530003      1.043936      6.074025
  H      -1.163700      1.719483      7.003218
  C      -5.491243      1.695869      3.679932
  C      -5.473617      0.205361      4.043621
  C      -6.645495     -0.565902      3.401793
  C      -6.809203     -0.270457      1.936829
  N      -7.850036      0.480923      1.589664
  C      -7.964744      0.827677      0.281580
  N      -7.146917      0.528905     -0.709957
  C      -6.079276     -0.262927     -0.383844
  C      -5.163826     -0.637569     -1.397643
  C      -4.087786     -1.447810     -1.094535
  C      -3.889770     -1.917983      0.224405
  C      -4.764110     -1.561277      1.232417
  C      -5.870342     -0.720029      0.955155
  C      -4.901956      6.523820      6.205542
  C      -4.501559      7.426257      5.022932
  C      -4.543235      6.718884      3.669780
  C      -5.891608      6.690912      2.987172
  N      -6.820692      7.547300      3.388676
  C      -8.011313      7.538571      2.731322
  N      -8.372067      6.772283      1.722920
  C      -7.439049      5.866304      1.300190
  C      -7.760247      4.995892      0.230534
  C      -6.839061      4.068706     -0.211286
  C      -5.568317      3.971353      0.401898
  C      -5.225764      4.812847      1.441381
  C      -6.148884      5.780224      1.913097
  C      -5.268762      2.224320      8.972844
  C      -6.268145      3.379963      9.091305
  C      -7.643962      3.187030      8.444325
  C      -7.861507      3.545522      6.999260
  N      -6.811332      3.698320      6.130674
  C      -7.155812      4.156827      4.859958
  N      -8.330934      4.402582      4.371312
  C      -9.413736      4.176756      5.202106
  C     -10.706571      4.392412      4.707956
  C     -11.815360      4.169108      5.520715
  C     -11.623860      3.728998      6.842008
  C     -10.350403      3.518347      7.353935
  C      -9.198476      3.738104      6.547404
  H      -5.355185      1.803971      2.584813
  H      -6.495497      2.088014      3.898883
  H      -5.539096      0.109345      5.139504
  H      -4.516662     -0.243538      3.736751
  H      -6.497730     -1.646605      3.559239
  H      -7.586218     -0.279192      3.891248
  H      -8.835972      1.443231      0.036589
  H      -5.344052     -0.274157     -2.410416
  H      -3.385714     -1.737378     -1.878516
  H      -3.041396     -2.568595      0.443011
  H      -4.609684     -1.934078      2.245612
  H      -5.962303      6.249705      6.116390
  H      -4.804459      7.122289      7.134834
  H      -3.486849      7.817798      5.190451
  H      -5.174489      8.294992      5.002378
  H      -3.845214      7.208377      2.966639
  H      -4.175499      5.686626      3.784171
  H      -8.750936      8.260937      3.091671
  H      -8.750282      5.081304     -0.219593
  H      -7.087460      3.393189     -1.031478
  H      -4.857134      3.221859      0.050011
  H      -4.245792      4.726914      1.910362
  H      -4.622061      2.243695      9.873155
  H      -5.808156      1.256832      9.002327
  H      -6.453647      3.534328     10.165558
  H      -5.789642      4.306392      8.730730
  H      -7.975634      2.145030      8.626906
  H      -8.360273      3.803651      9.012323
  H      -6.299508      4.305823      4.198967
  H     -10.809630      4.738118      3.677655
  H     -12.822992      4.332453      5.136322
  H     -12.491499      3.547845      7.480215
  H     -10.244463      3.167587      8.380313
95
Coordinates from ORCA-job orca E -6148.384071031088
  N      -4.522721      2.506477      4.381138
  Mo     -4.707839      3.405568      6.176655
  N      -4.393011      2.323709      7.803659
  C      -3.078267      1.739130      8.025576
  C      -2.240926      1.837687      6.755318
  N      -2.511466      3.128317      6.076598
  C      -2.168098      3.101810      4.633552
  C      -3.175601      2.240310      3.885710
  C      -1.927923      4.290690      6.789283
  C      -2.675385      5.560000      6.400617
  N      -4.114239      5.299965      6.322274
  H      -3.108499      2.457411      2.800266
  H      -2.898553      1.171161      3.986685
  H      -2.229259      4.137726      4.273402
  H      -1.133169      2.746660      4.476623
  H      -2.457108      6.341910      7.154693
  H      -2.279671      5.953524      5.442624
  H      -2.058543      4.103900      7.863367
  H      -0.845029      4.380126      6.584564
  H      -3.152245      0.671783      8.315182
  H      -2.570434      2.241370      8.876585
  H      -2.542652      1.044090      6.059551
  H      -1.163151      1.717555      6.970165
  C      -5.524597      1.721038      3.678510
  C      -5.529556      0.233744      4.056299
  C      -6.699658     -0.533720      3.407311
  C      -6.841910     -0.253727      1.936964
  N      -7.871542      0.502645      1.566924
  C      -7.964940      0.835510      0.253837
  N      -7.134651      0.521144     -0.722748
  C      -6.078519     -0.275856     -0.373077
  C      -5.150489     -0.667252     -1.368940
  C      -4.086308     -1.484033     -1.042125
  C      -3.912989     -1.944429      0.283716
  C      -4.799846     -1.571239      1.274667
  C      -5.894045     -0.722464      0.972953
  C      -4.890696      6.537418      6.204825
  C      -4.486574      7.450014      5.031537
  C      -4.519627      6.757640      3.669898
  C      -5.865415      6.722226      2.982538
  N      -6.798663      7.577117      3.376644
  C      -7.985597      7.564529      2.711979
  N      -8.339374      6.794734      1.703714
  C      -7.402815      5.887917      1.290637
  C      -7.716829      5.011814      0.223592
  C      -6.791225      4.085722     -0.210571
  C      -5.522360      3.994803      0.407640
  C      -5.187083      4.841054      1.445771
  C      -6.115447      5.807237      1.909999
  C      -5.234521      2.246308      8.992523
  C      -6.276084      3.363759      9.088052
  C      -7.637906      3.114531      8.427683
  C      -7.864156      3.511757      6.994240
  N      -6.816954      3.701391      6.128376
  C      -7.170682      4.190429      4.871173
  N      -8.349868      4.435495      4.392318
  C      -9.427418      4.169426      5.216226
  C     -10.724319      4.378416      4.728518
  C     -11.828506      4.112035      5.533705
  C     -11.629611      3.634670      6.841086
  C     -10.352866      3.430148      7.346725
  C      -9.204355      3.694824      6.548107
  H      -5.379884      1.817858      2.583665
  H      -6.524061      2.129395      3.887548
  H      -5.611281      0.149511      5.152068
  H      -4.572522     -0.228046      3.768890
  H      -6.564632     -1.613766      3.578823
  H      -7.644488     -0.232223      3.880151
  H      -8.829293      1.452857     -0.010073
  H      -5.311759     -0.311701     -2.387670
  H      -3.374747     -1.786442     -1.812544
  H      -3.074131     -2.600687      0.521162
  H      -4.664177     -1.935487      2.293545
  H      -5.951865      6.266576      6.114944
  H      -4.790259      7.127638      7.138928
  H      -3.472941      7.841652      5.206071
  H      -5.161834      8.317209      5.017486
  H      -3.823460      7.259890      2.974361
  H      -4.142770      5.727839      3.775335
  H      -8.728448      8.286951      3.065299
  H      -8.705272      5.092259     -0.230921
  H      -7.033896      3.405819     -1.028665
  H      -4.807177      3.246732      0.061011
  H      -4.208233      4.760715      1.917962
  H      -4.576217      2.321707      9.882247
  H      -5.733540      1.259055      9.064189
  H      -6.476483      3.516613     10.159844
  H      -5.831214      4.305785      8.725242
  H      -7.915477      2.051749      8.575203
  H      -8.387193      3.675215      9.010117
  H      -6.316893      4.370133      4.214620
  H     -10.833145      4.752387      3.708759
  H     -12.838880      4.269857      5.154178
  H     -12.493846      3.418354      7.472837
  H     -10.241605      3.048462      8.361300
95
Coordinates from ORCA-job orca E -6148.384502805221
  N      -4.544560      2.512376      4.395971
  Mo     -4.715612      3.409098      6.187165
  N      -4.380486      2.320199      7.808463
  C      -3.054827      1.755789      8.024904
  C      -2.222633      1.855087      6.751692
  N      -2.515799      3.136745      6.065808
  C      -2.182823      3.095719      4.620816
  C      -3.202142      2.238079      3.887552
  C      -1.925466      4.312538      6.753593
  C      -2.688198      5.572811      6.364425
  N      -4.131285      5.313151      6.306592
  H      -3.139831      2.456124      2.802479
  H      -2.938827      1.165060      3.991540
  H      -2.238875      4.130567      4.254651
  H      -1.152350      2.730539      4.460875
  H      -2.461569      6.361191      7.108812
  H      -2.310695      5.958258      5.395008
  H      -2.037247      4.137462      7.832317
  H      -0.847374      4.403427      6.528033
  H      -3.102434      0.689882      8.323704
  H      -2.553756      2.280144      8.867858
  H      -2.511752      1.050674      6.062409
  H      -1.141971      1.756473      6.961088
  C      -5.554642      1.742417      3.689114
  C      -5.568171      0.253212      4.060925
  C      -6.738582     -0.510250      3.408043
  C      -6.869856     -0.239193      1.934556
  N      -7.894448      0.518559      1.550910
  C      -7.976633      0.839991      0.234863
  N      -7.139315      0.517490     -0.733201
  C      -6.090594     -0.282713     -0.371103
  C      -5.156789     -0.687052     -1.356550
  C      -4.103360     -1.512105     -1.017595
  C      -3.946483     -1.970548      0.311217
  C      -4.838517     -1.585512      1.292237
  C      -5.920952     -0.724761      0.978718
  C      -4.901838      6.554894      6.213443
  C      -4.496556      7.484057      5.055251
  C      -4.520453      6.810616      3.682139
  C      -5.866008      6.745931      2.998372
  N      -6.809773      7.594997      3.376051
  C      -7.992634      7.561208      2.703221
  N      -8.330195      6.780497      1.697942
  C      -7.384633      5.874208      1.306668
  C      -7.685071      4.977176      0.253068
  C      -6.750220      4.051411     -0.159677
  C      -5.481791      3.985436      0.462093
  C      -5.159905      4.852151      1.488111
  C      -6.101772      5.814055      1.934916
  C      -5.210317      2.227534      9.004149
  C      -6.281689      3.313374      9.089745
  C      -7.621050      3.041424      8.387532
  C      -7.839124      3.485938      6.965576
  N      -6.790138      3.698375      6.104531
  C      -7.147297      4.214511      4.855746
  N      -8.327322      4.467849      4.386191
  C      -9.402946      4.185325      5.201319
  C     -10.700829      4.407616      4.716695
  C     -11.805083      4.123781      5.512452
  C     -11.609054      3.613315      6.808270
  C     -10.333679      3.395165      7.309622
  C      -9.180716      3.681193      6.522040
  H      -5.403360      1.844250      2.596089
  H      -6.551113      2.153809      3.899405
  H      -5.656719      0.163933      5.155897
  H      -4.611428     -0.213020      3.779701
  H      -6.616960     -1.590059      3.587100
  H      -7.685021     -0.196607      3.870656
  H      -8.837508      1.457407     -0.039978
  H      -5.305114     -0.335382     -2.378532
  H      -3.388546     -1.823633     -1.781177
  H      -3.117228     -2.635187      0.558178
  H      -4.715318     -1.946309      2.313473
  H      -5.963365      6.284308      6.124429
  H      -4.794453      7.132408      7.154277
  H      -3.484939      7.877900      5.235200
  H      -5.180190      8.345223      5.058002
  H      -3.833168      7.329928      2.991746
  H      -4.122592      5.787229      3.779904
  H      -8.745469      8.279126      3.044025
  H      -8.672614      5.040145     -0.206081
  H      -6.983576      3.351850     -0.963128
  H      -4.758064      3.239886      0.128037
  H      -4.179261      4.791723      1.960167
  H      -4.548228      2.329579      9.888451
  H      -5.681180      1.227290      9.093220
  H      -6.511827      3.435382     10.159972
  H      -5.857930      4.275289      8.754888
  H      -7.859999      1.964217      8.482140
  H      -8.396273      3.549590      8.981166
  H      -6.292857      4.416047      4.203238
  H     -10.804677      4.803832      3.705025
  H     -12.814847      4.292007      5.135790
  H     -12.473532      3.379944      7.433156
  H     -10.227107      2.986454      8.313443
95
Coordinates from ORCA-job orca E -6148.385142354178
  N      -4.556191      2.518165      4.396619
  Mo     -4.707022      3.416555      6.185986
  N      -4.364853      2.345324      7.820023
  C      -3.041070      1.772688      8.027573
  C      -2.220506      1.854948      6.745019
  N      -2.510735      3.132759      6.050773
  C      -2.186524      3.080077      4.603932
  C      -3.218654      2.226673      3.882442
  C      -1.911161      4.310000      6.727255
  C      -2.669918      5.571161      6.333342
  N      -4.114345      5.316586      6.284205
  H      -3.161020      2.436527      2.795683
  H      -2.964592      1.152172      3.991969
  H      -2.234915      4.112789      4.230364
  H      -1.160299      2.704346      4.440899
  H      -2.436352      6.363307      7.071621
  H      -2.295412      5.949221      5.360232
  H      -2.016819      4.143085      7.807822
  H      -0.834027      4.394575      6.494415
  H      -3.093906      0.710114      8.337016
  H      -2.526568      2.299809      8.860638
  H      -2.522163      1.046859      6.065500
  H      -1.138659      1.749860      6.944995
  C      -5.578968      1.763759      3.690552
  C      -5.625925      0.279011      4.076690
  C      -6.801728     -0.466975      3.413625
  C      -6.904780     -0.204689      1.936542
  N      -7.913493      0.562257      1.531139
  C      -7.971648      0.874377      0.211527
  N      -7.122880      0.535786     -0.740425
  C      -6.088812     -0.273170     -0.355844
  C      -5.143919     -0.694456     -1.323445
  C      -4.104841     -1.527796     -0.961818
  C      -3.973733     -1.977942      0.372693
  C      -4.876939     -1.576586      1.336678
  C      -5.945744     -0.707607      0.999822
  C      -4.882334      6.561014      6.197960
  C      -4.472261      7.497656      5.048097
  C      -4.489642      6.832200      3.671038
  C      -5.834527      6.764702      2.986312
  N      -6.775591      7.618483      3.361554
  C      -7.958430      7.586902      2.689799
  N      -8.298374      6.805040      1.686279
  C      -7.355746      5.895169      1.296160
  C      -7.658597      4.999333      0.241967
  C      -6.726349      4.070796     -0.170836
  C      -5.458773      4.000520      0.451886
  C      -5.134462      4.865623      1.478319
  C      -6.072939      5.830937      1.925211
  C      -5.179401      2.268296      9.026017
  C      -6.293121      3.310280      9.088274
  C      -7.614905      2.972633      8.377420
  C      -7.852986      3.449811      6.970743
  N      -6.806437      3.705102      6.120424
  C      -7.165354      4.251909      4.886322
  N      -8.348255      4.494566      4.418291
  C      -9.422376      4.164525      5.219098
  C     -10.722091      4.371550      4.732864
  C     -11.824345      4.039862      5.512818
  C     -11.624019      3.495226      6.794273
  C     -10.347261      3.290861      7.297351
  C      -9.196421      3.627209      6.526851
  H      -5.417679      1.851104      2.597680
  H      -6.568875      2.198536      3.887577
  H      -5.731949      0.202450      5.171091
  H      -4.674367     -0.208431      3.814529
  H      -6.703892     -1.547734      3.602062
  H      -7.748390     -0.131874      3.859876
  H      -8.820951      1.499435     -0.081830
  H      -5.272075     -0.348505     -2.350121
  H      -3.381251     -1.852261     -1.711697
  H      -3.155240     -2.649009      0.637724
  H      -4.773572     -1.931197      2.362409
  H      -5.944814      6.295682      6.103564
  H      -4.775552      7.130081      7.144141
  H      -3.461421      7.889368      5.235498
  H      -5.154552      8.359780      5.052674
  H      -3.807298      7.364808      2.985368
  H      -4.083530      5.811898      3.760860
  H      -8.708809      8.308247      3.028952
  H      -8.645323      5.066336     -0.218407
  H      -6.960451      3.373699     -0.976434
  H      -4.736642      3.253648      0.117214
  H      -4.153149      4.802510      1.948692
  H      -4.513710      2.427502      9.899933
  H      -5.609903      1.254099      9.156578
  H      -6.535008      3.435922     10.155277
  H      -5.906830      4.284626      8.743923
  H      -7.783458      1.879091      8.437755
  H      -8.421086      3.411914      8.982867
  H      -6.311255      4.479872      4.241373
  H     -10.828621      4.794507      3.732357
  H     -12.835515      4.196248      5.134809
  H     -12.486636      3.223038      7.405981
  H     -10.237490      2.852354      8.288412
95
Coordinates from ORCA-job orca E -6148.385757513238
  N      -4.553218      2.518907      4.404066
  Mo     -4.692486      3.422995      6.187808
  N      -4.347758      2.365435      7.832081
  C      -3.020898      1.796157      8.040341
  C      -2.206199      1.864237      6.753165
  N      -2.497644      3.135148      6.046427
  C      -2.178011      3.068431      4.598191
  C      -3.218263      2.212098      3.888602
  C      -1.896047      4.316993      6.712918
  C      -2.653163      5.576129      6.310491
  N      -4.098013      5.322138      6.264328
  H      -3.163639      2.410840      2.799775
  H      -2.969590      1.137916      4.007855
  H      -2.222409      4.096986      4.213150
  H      -1.153992      2.685702      4.437045
  H      -2.418152      6.373674      7.042578
  H      -2.278888      5.947046      5.335034
  H      -1.997700      4.158457      7.794954
  H      -0.819437      4.399345      6.475671
  H      -3.074344      0.738236      8.364320
  H      -2.501702      2.333329      8.863418
  H      -2.511051      1.049611      6.082972
  H      -1.123756      1.759780      6.950529
  C      -5.588309      1.780884      3.696043
  C      -5.673380      0.301010      4.093544
  C      -6.858313     -0.423515      3.421384
  C      -6.936363     -0.173240      1.940710
  N      -7.926221      0.606181      1.515051
  C      -7.962612      0.907067      0.191710
  N      -7.108172      0.544724     -0.745648
  C      -6.092366     -0.277418     -0.340066
  C      -5.143242     -0.724396     -1.291959
  C      -4.123536     -1.571848     -0.909368
  C      -4.016485     -2.010789      0.431086
  C      -4.923621     -1.583801      1.380144
  C      -5.973067     -0.700309      1.021839
  C      -4.866364      6.567242      6.182132
  C      -4.451710      7.512864      5.040401
  C      -4.468040      6.856659      3.659583
  C      -5.815265      6.792715      2.979778
  N      -6.749682      7.653117      3.358952
  C      -7.936319      7.626988      2.695086
  N      -8.285758      6.845900      1.694502
  C      -7.349521      5.932156      1.297642
  C      -7.661859      5.041473      0.241571
  C      -6.736332      4.108530     -0.177348
  C      -5.468187      4.027497      0.442695
  C      -5.134579      4.887595      1.469899
  C      -6.063983      5.859359      1.921236
  C      -5.154408      2.298106      9.042848
  C      -6.309014      3.293606      9.083518
  C      -7.602504      2.893189      8.350244
  C      -7.855362      3.408239      6.961679
  N      -6.807554      3.704117      6.128408
  C      -7.162532      4.280991      4.907675
  N      -8.345679      4.515954      4.436283
  C      -9.421713      4.143996      5.218449
  C     -10.720274      4.341176      4.726184
  C     -11.823621      3.967350      5.485718
  C     -11.623857      3.388946      6.752891
  C     -10.348406      3.193043      7.261712
  C      -9.197394      3.572629      6.512652
  H      -5.417647      1.854740      2.603538
  H      -6.570178      2.239532      3.881383
  H      -5.794854      0.237059      5.187143
  H      -4.730195     -0.210018      3.847239
  H      -6.788338     -1.504971      3.620125
  H      -7.802196     -0.063548      3.853249
  H      -8.797664      1.542918     -0.119294
  H      -5.252810     -0.386498     -2.323508
  H      -3.396808     -1.916447     -1.647247
  H      -3.213089     -2.693360      0.712765
  H      -4.839671     -1.931246      2.410337
  H      -5.929470      6.307602      6.080005
  H      -4.762675      7.127861      7.133919
  H      -3.440506      7.899701      5.234686
  H      -5.130297      8.377656      5.048500
  H      -3.792137      7.401662      2.976525
  H      -4.056290      5.838375      3.739388
  H      -8.681253      8.351723      3.039385
  H      -8.649251      5.117094     -0.216045
  H      -6.976299      3.417162     -0.986465
  H      -4.752135      3.276675      0.103653
  H      -4.151938      4.815958      1.936199
  H      -4.494175      2.507983      9.910320
  H      -5.546085      1.272041      9.202941
  H      -6.572688      3.413260     10.145684
  H      -5.957719      4.281919      8.740854
  H      -7.691420      1.787640      8.364788
  H      -8.441999      3.250160      8.963042
  H      -6.307202      4.534107      4.274100
  H     -10.824527      4.790809      3.737046
  H     -12.834228      4.116451      5.103357
  H     -12.486692      3.083516      7.348553
  H     -10.239012      2.726429      8.240489
95
Coordinates from ORCA-job orca E -6148.386518491568
  N      -4.534018      2.512846      4.419561
  Mo     -4.669244      3.430480      6.192601
  N      -4.332623      2.378153      7.842201
  C      -2.999000      1.821852      8.062093
  C      -2.181920      1.879452      6.776971
  N      -2.475047      3.141789      6.055302
  C      -2.155680      3.058107      4.607054
  C      -3.199001      2.192273      3.908997
  C      -1.877313      4.330315      6.713283
  C      -2.632225      5.586062      6.297020
  N      -4.076758      5.330753      6.248423
  H      -3.144076      2.378821      2.818143
  H      -2.953528      1.119729      4.041098
  H      -2.199561      4.080395      4.206636
  H      -1.131981      2.671413      4.452891
  H      -2.399902      6.390511      7.022515
  H      -2.254403      5.948688      5.320419
  H      -1.978990      4.180536      7.796256
  H      -0.800326      4.412417      6.475701
  H      -3.052228      0.769499      8.402149
  H      -2.485405      2.374452      8.877153
  H      -2.480606      1.057100      6.113541
  H      -1.100071      1.780666      6.980849
  C      -5.579862      1.790894      3.706246
  C      -5.699746      0.315901      4.110845
  C      -6.898240     -0.383477      3.434458
  C      -6.958888     -0.144595      1.951052
  N      -7.929449      0.649338      1.510588
  C      -7.949627      0.939991      0.183931
  N      -7.095688      0.551357     -0.742640
  C      -6.099605     -0.287342     -0.321303
  C      -5.154200     -0.764455     -1.262373
  C      -4.156261     -1.630160     -0.864119
  C      -4.067667     -2.057137      0.481576
  C      -4.970599     -1.599570      1.420381
  C      -5.998007     -0.698048      1.045807
  C      -4.849008      6.573455      6.168680
  C      -4.437629      7.525582      5.029184
  C      -4.465198      6.872774      3.648185
  C      -5.820071      6.816378      2.984444
  N      -6.743579      7.683537      3.377627
  C      -7.939933      7.664540      2.732748
  N      -8.307480      6.887316      1.736317
  C      -7.381208      5.971460      1.320699
  C      -7.711920      5.091134      0.261330
  C      -6.797348      4.154054     -0.173521
  C      -5.525140      4.057177      0.435869
  C      -5.173475      4.908252      1.463939
  C      -6.088581      5.886620      1.928603
  C      -5.138943      2.314461      9.052216
  C      -6.329002      3.266525      9.075351
  C      -7.584885      2.813371      8.305326
  C      -7.843915      3.371599      6.937319
  N      -6.787996      3.703639      6.130268
  C      -7.127289      4.304428      4.917583
  N      -8.305738      4.536085      4.432974
  C      -9.390706      4.133519      5.190609
  C     -10.682863      4.328442      4.682856
  C     -11.794500      3.922432      5.413896
  C     -11.607000      3.312446      6.668692
  C     -10.338002      3.117717      7.192553
  C      -9.179950      3.530221      6.473346
  H      -5.400288      1.853301      2.614429
  H      -6.553350      2.272276      3.881145
  H      -5.829868      0.261607      5.203880
  H      -4.767530     -0.217838      3.871433
  H      -6.857121     -1.465269      3.642057
  H      -7.835265      0.002452      3.858197
  H      -8.768899      1.589623     -0.140565
  H      -5.249656     -0.434722     -2.298012
  H      -3.432631     -1.998462     -1.593637
  H      -3.281349     -2.754316      0.775746
  H      -4.902132     -1.939666      2.454438
  H      -5.912884      6.318856      6.062816
  H      -4.746509      7.128672      7.123909
  H      -3.424689      7.907972      5.222459
  H      -5.112186      8.393038      5.043184
  H      -3.798658      7.424218      2.960220
  H      -4.051257      5.855076      3.718923
  H      -8.675973      8.391492      3.091644
  H      -8.702952      5.179007     -0.186077
  H      -7.050183      3.472902     -0.987640
  H      -4.819858      3.301280      0.085604
  H      -4.187637      4.823456      1.921044
  H      -4.491536      2.563858      9.918554
  H      -5.497385      1.278398      9.227382
  H      -6.622295      3.369109     10.131116
  H      -6.006996      4.269803      8.747176
  H      -7.589058      1.703495      8.263978
  H      -8.457212      3.077681      8.917798
  H      -6.266123      4.577092      4.301094
  H     -10.775100      4.802612      3.703873
  H     -12.800660      4.070088      5.019651
  H     -12.475604      2.982144      7.242478
  H     -10.237465      2.626116      8.160536
95
Coordinates from ORCA-job orca E -6148.387418408528
  N      -4.525038      2.514523      4.435487
  Mo     -4.654136      3.443647      6.200467
  N      -4.318002      2.391147      7.849672
  C      -2.979560      1.845151      8.074423
  C      -2.163393      1.898193      6.790136
  N      -2.460968      3.154677      6.060825
  C      -2.146316      3.058563      4.612512
  C      -3.191805      2.185304      3.925798
  C      -1.864533      4.348296      6.709811
  C      -2.619350      5.600812      6.285027
  N      -4.063522      5.346182      6.239435
  H      -3.138844      2.364332      2.833618
  H      -2.948466      1.113643      4.066324
  H      -2.193216      4.076244      4.201457
  H      -1.122830      2.670550      4.459972
  H      -2.386494      6.410534      7.004469
  H      -2.242072      5.956105      5.305536
  H      -1.963214      4.205183      7.793791
  H      -0.788037      4.430404      6.468771
  H      -3.032025      0.795805      8.423165
  H      -2.470817      2.408004      8.884862
  H      -2.457151      1.070928      6.130662
  H      -1.081381      1.805232      6.996226
  C      -5.580190      1.805434      3.721151
  C      -5.726412      0.335668      4.134085
  C      -6.935866     -0.345390      3.458290
  C      -6.985471     -0.119091      1.972358
  N      -7.936403      0.690836      1.519439
  C      -7.942848      0.970270      0.189822
  N      -7.091663      0.555406     -0.727877
  C      -6.116885     -0.301427     -0.293201
  C      -5.177915     -0.809163     -1.224728
  C      -4.203058     -1.694796     -0.813110
  C      -4.131883     -2.111286      0.536842
  C      -5.028382     -1.623158      1.466548
  C      -6.031729     -0.701243      1.077944
  C      -4.835970      6.587609      6.160995
  C      -4.425445      7.543972      5.023346
  C      -4.459352      6.896994      3.640354
  C      -5.817369      6.845779      2.983115
  N      -6.735363      7.716051      3.383053
  C      -7.935156      7.703298      2.744456
  N      -8.309871      6.931045      1.747351
  C      -7.388599      6.013801      1.323196
  C      -7.726675      5.141100      0.259947
  C      -6.817486      4.201821     -0.181853
  C      -5.544940      4.094316      0.425366
  C      -5.186029      4.938813      1.456111
  C      -6.094390      5.920273      1.926412
  C      -5.122159      2.319547      9.059415
  C      -6.349910      3.220742      9.063386
  C      -7.558372      2.714651      8.248952
  C      -7.827591      3.326273      6.907560
  N      -6.769098      3.703456      6.123211
  C      -7.104469      4.335320      4.926153
  N      -8.281593      4.565721      4.437726
  C      -9.367802      4.125249      5.172801
  C     -10.657268      4.319893      4.658838
  C     -11.770681      3.873643      5.363026
  C     -11.586725      3.222000      6.597639
  C     -10.320796      3.026438      7.127425
  C      -9.160913      3.480253      6.436376
  H      -5.395572      1.857226      2.629732
  H      -6.545347      2.305643      3.889501
  H      -5.861380      0.290986      5.226899
  H      -4.803168     -0.215532      3.899401
  H      -6.917555     -1.426004      3.675778
  H      -7.866121      0.063126      3.875909
  H      -8.745912      1.634243     -0.145648
  H      -5.260316     -0.486752     -2.263792
  H      -3.484686     -2.086987     -1.535321
  H      -3.364161     -2.824437      0.841656
  H      -4.974027     -1.955814      2.503828
  H      -5.900498      6.336578      6.053744
  H      -4.733740      7.140414      7.117587
  H      -3.410982      7.922473      5.217048
  H      -5.097484      8.413044      5.042862
  H      -3.796798      7.452418      2.951556
  H      -4.044069      5.879417      3.704470
  H      -8.666540      8.431402      3.110513
  H      -8.718396      5.236850     -0.184233
  H      -7.075916      3.527803     -1.000008
  H      -4.845745      3.335036      0.070278
  H      -4.200447      4.845439      1.912029
  H      -4.489664      2.609013      9.924613
  H      -5.440153      1.272516      9.248151
  H      -6.675009      3.297327     10.111890
  H      -6.064098      4.240972      8.754895
  H      -7.472471      1.611655      8.145461
  H      -8.458153      2.876184      8.856080
  H      -6.242290      4.634131      4.323996
  H     -10.745313      4.826190      3.695584
  H     -12.774797      4.021050      4.963693
  H     -12.456401      2.859994      7.150306
  H     -10.222303      2.502336      8.078405
95
Coordinates from ORCA-job orca E -6148.388155602031
  N      -4.517533      2.523531      4.456486
  Mo     -4.643726      3.467941      6.214522
  N      -4.308416      2.394538      7.847237
  C      -2.965142      1.863131      8.076977
  C      -2.148286      1.924591      6.796840
  N      -2.452156      3.181110      6.071896
  C      -2.145417      3.079987      4.624111
  C      -3.186468      2.196616      3.946774
  C      -1.856971      4.376658      6.716048
  C      -2.612905      5.627662      6.289292
  N      -4.055428      5.374750      6.250601
  H      -3.136600      2.373445      2.853879
  H      -2.938251      1.125960      4.090603
  H      -2.203511      4.094833      4.207861
  H      -1.120129      2.698072      4.467585
  H      -2.377570      6.439472      7.005487
  H      -2.238303      5.978825      5.306468
  H      -1.953431      4.234880      7.800377
  H      -0.780873      4.460163      6.472843
  H      -3.015982      0.812970      8.424117
  H      -2.467875      2.430709      8.891240
  H      -2.435227      1.098278      6.133382
  H      -1.065991      1.837715      7.004503
  C      -5.579835      1.821744      3.746380
  C      -5.732312      0.354612      4.162879
  C      -6.955533     -0.316815      3.504525
  C      -7.018014     -0.096475      2.017981
  N      -7.958020      0.728707      1.568987
  C      -7.967969      1.003119      0.238093
  N      -7.130364      0.568913     -0.684138
  C      -6.169662     -0.305005     -0.252382
  C      -5.247538     -0.835314     -1.188004
  C      -4.287043     -1.738359     -0.778887
  C      -4.214191     -2.149298      0.572431
  C      -5.094709     -1.638955      1.506024
  C      -6.082282     -0.699861      1.118966
  C      -4.830815      6.610561      6.175922
  C      -4.432223      7.563757      5.031631
  C      -4.476063      6.911769      3.651447
  C      -5.835597      6.855227      2.997669
  N      -6.756792      7.720770      3.398271
  C      -7.956692      7.703168      2.758227
  N      -8.326834      6.930638      1.759916
  C      -7.401412      6.017261      1.336589
  C      -7.734638      5.142401      0.274103
  C      -6.821256      4.205912     -0.164356
  C      -5.548866      4.103261      0.444854
  C      -5.194888      4.950940      1.474802
  C      -6.108539      5.928964      1.941307
  C      -5.112002      2.305558      9.055455
  C      -6.370457      3.163040      9.037266
  C      -7.516448      2.611227      8.162077
  C      -7.781149      3.283130      6.849669
  N      -6.713529      3.705683      6.095311
  C      -7.040303      4.361995      4.910254
  N      -8.212640      4.599249      4.412837
  C      -9.303102      4.131540      5.121366
  C     -10.586953      4.337269      4.597315
  C     -11.707168      3.860392      5.268701
  C     -11.536441      3.165554      6.481367
  C     -10.277045      2.958005      7.020961
  C      -9.108666      3.442478      6.363871
  H      -5.399033      1.870461      2.654358
  H      -6.537720      2.333562      3.917540
  H      -5.854209      0.313149      5.257246
  H      -4.815475     -0.202192      3.915310
  H      -6.945245     -1.395750      3.728930
  H      -7.876025      0.105106      3.931612
  H      -8.761983      1.678884     -0.094057
  H      -5.331848     -0.516022     -2.227804
  H      -3.581763     -2.148209     -1.504013
  H      -3.458304     -2.875649      0.875219
  H      -5.038738     -1.966579      2.544451
  H      -5.895102      6.355034      6.079462
  H      -4.725009      7.169155      7.128477
  H      -3.416802      7.945916      5.215825
  H      -5.107516      8.430285      5.055060
  H      -3.815750      7.460985      2.956174
  H      -4.059154      5.894055      3.718742
  H      -8.691124      8.427768      3.124701
  H      -8.726684      5.233315     -0.170218
  H      -7.078540      3.530244     -0.981093
  H      -4.848271      3.343847      0.093172
  H      -4.211883      4.861676      1.937100
  H      -4.495766      2.617105      9.925239
  H      -5.397634      1.249072      9.241501
  H      -6.733476      3.211398     10.075232
  H      -6.116494      4.197438      8.751232
  H      -7.341018      1.527794      7.995037
  H      -8.442523      2.668676      8.746986
  H      -6.174224      4.683056      4.326734
  H     -10.665626      4.876088      3.651049
  H     -12.706295      4.016132      4.860348
  H     -12.411838      2.780054      7.008339
  H     -10.188156      2.403072      7.954523
95
Coordinates from ORCA-job orca E -6148.389349309826
  N      -4.515338      2.532060      4.467865
  Mo     -4.636235      3.486138      6.221546
  N      -4.297658      2.418422      7.859992
  C      -2.953108      1.893877      8.095203
  C      -2.136611      1.941309      6.814552
  N      -2.441846      3.190241      6.077014
  C      -2.138776      3.070268      4.630109
  C      -3.186754      2.189189      3.961890
  C      -1.839312      4.392080      6.703928
  C      -2.596099      5.640391      6.269945
  N      -4.040877      5.393442      6.242744
  H      -3.134014      2.358055      2.867896
  H      -2.950651      1.116357      4.114673
  H      -2.191609      4.081368      4.203679
  H      -1.116458      2.680076      4.475720
  H      -2.353575      6.457944      6.976790
  H      -2.227607      5.979978      5.280174
  H      -1.929345      4.261702      7.790396
  H      -0.764809      4.470606      6.452840
  H      -3.001046      0.847454      8.454238
  H      -2.459560      2.473766      8.903478
  H      -2.422774      1.107456      6.160095
  H      -1.053923      1.858761      7.021348
  C      -5.583177      1.843983      3.754663
  C      -5.760200      0.382949      4.182703
  C      -6.993710     -0.271434      3.527114
  C      -7.047529     -0.059765      2.039049
  N      -7.963937      0.787513      1.581506
  C      -7.961721      1.052647      0.248909
  N      -7.131744      0.591144     -0.667529
  C      -6.197311     -0.306242     -0.226903
  C      -5.286959     -0.868388     -1.155507
  C      -4.354448     -1.796449     -0.737451
  C      -4.298773     -2.201511      0.616425
  C      -5.168019     -1.660532      1.543360
  C      -6.126407     -0.695281      1.146765
  C      -4.810383      6.632671      6.170213
  C      -4.409394      7.584924      5.025821
  C      -4.451505      6.941031      3.640703
  C      -5.805759      6.889337      2.974663
  N      -6.727482      7.756960      3.368273
  C      -7.920141      7.748958      2.712772
  N      -8.281926      6.985245      1.704356
  C      -7.356659      6.067175      1.290368
  C      -7.681049      5.198511      0.220221
  C      -6.767858      4.258625     -0.210390
  C      -5.503153      4.146434      0.413087
  C      -5.157506      4.987696      1.451328
  C      -6.072105      5.968429      1.911121
  C      -5.097240      2.330658      9.070848
  C      -6.397193      3.119869      9.023264
  C      -7.486816      2.508186      8.114136
  C      -7.785079      3.229936      6.835755
  N      -6.733044      3.720154      6.097931
  C      -7.084996      4.414026      4.942249
  N      -8.265824      4.635307      4.457460
  C      -9.337318      4.103966      5.146986
  C     -10.629099      4.291119      4.633511
  C     -11.731617      3.750282      5.283780
  C     -11.536958      3.008612      6.464903
  C     -10.270852      2.818005      6.993820
  C      -9.118285      3.367549      6.358440
  H      -5.393003      1.880339      2.664034
  H      -6.533476      2.372010      3.914133
  H      -5.886814      0.351377      5.276872
  H      -4.851199     -0.190446      3.943203
  H      -7.006154     -1.348121      3.760342
  H      -7.906469      0.173640      3.948152
  H      -8.737045      1.746280     -0.090144
  H      -5.358321     -0.553161     -2.197494
  H      -3.658514     -2.230640     -1.457353
  H      -3.565517     -2.947675      0.926385
  H      -5.125019     -1.982860      2.583887
  H      -5.875450      6.378851      6.078140
  H      -4.700173      7.192890      7.121103
  H      -3.392188      7.962499      5.211084
  H      -5.083008      8.452904      5.053540
  H      -3.784642      7.489978      2.952166
  H      -4.036098      5.922084      3.705135
  H      -8.654992      8.475548      3.074088
  H      -8.667206      5.296535     -0.235506
  H      -7.019883      3.586987     -1.031879
  H      -4.803091      3.384238      0.066650
  H      -4.180747      4.891599      1.925318
  H      -4.497959      2.694309      9.933141
  H      -5.333151      1.267422      9.287604
  H      -6.783820      3.147571     10.053536
  H      -6.193986      4.166521      8.742151
  H      -7.221927      1.453252      7.896236
  H      -8.418926      2.463939      8.689113
  H      -6.229297      4.783020      4.371883
  H     -10.726943      4.866899      3.711187
  H     -12.735919      3.891693      4.882938
  H     -12.398580      2.572670      6.974813
  H     -10.162726      2.226129      7.901935
95
Coordinates from ORCA-job orca E -6148.390238468671
  N      -4.506050      2.540177      4.475420
  Mo     -4.626905      3.501234      6.225086
  N      -4.292839      2.436563      7.866801
  C      -2.947259      1.917202      8.108339
  C      -2.128823      1.957651      6.828574
  N      -2.432955      3.202893      6.084343
  C      -2.129932      3.075263      4.638009
  C      -3.178276      2.191267      3.973633
  C      -1.829164      4.406140      6.705648
  C      -2.584069      5.653570      6.267281
  N      -4.028839      5.408697      6.242293
  H      -3.123778      2.352255      2.878536
  H      -2.942309      1.119127      4.132932
  H      -2.181867      4.084416      4.206189
  H      -1.107759      2.683846      4.485197
  H      -2.339335      6.473201      6.971006
  H      -2.214632      5.988873      5.276444
  H      -1.919964      4.280602      7.792727
  H      -0.754305      4.482716      6.455310
  H      -2.994059      0.873354      8.475079
  H      -2.455989      2.502877      8.913717
  H      -2.414193      1.120023      6.178672
  H      -1.046342      1.876401      7.036728
  C      -5.577424      1.861838      3.758219
  C      -5.777221      0.406711      4.197883
  C      -7.018603     -0.239891      3.547979
  C      -7.073461     -0.041313      2.058502
  N      -7.981916      0.811650      1.595827
  C      -7.980923      1.064841      0.260965
  N      -7.158469      0.586945     -0.653600
  C      -6.232267     -0.316558     -0.207817
  C      -5.330594     -0.896141     -1.134166
  C      -4.406664     -1.830025     -0.710434
  C      -4.350827     -2.223586      0.646898
  C      -5.211626     -1.665807      1.571661
  C      -6.161693     -0.694690      1.169093
  C      -4.794445      6.650510      6.168065
  C      -4.387129      7.599585      5.022838
  C      -4.430284      6.954173      3.638356
  C      -5.784041      6.913101      2.969603
  N      -6.698784      7.789349      3.360497
  C      -7.891529      7.788844      2.705334
  N      -8.260043      7.024532      1.699605
  C      -7.342214      6.097651      1.288482
  C      -7.674287      5.227234      0.222017
  C      -6.768983      4.278211     -0.205510
  C      -5.504911      4.158111      0.417315
  C      -5.151853      5.000463      1.452133
  C      -6.058077      5.990664      1.909030
  C      -5.093128      2.351746      9.077745
  C      -6.421788      3.085185      8.998769
  C      -7.453231      2.426872      8.053218
  C      -7.780498      3.188257      6.808206
  N      -6.734302      3.720351      6.092552
  C      -7.090395      4.434908      4.952770
  N      -8.273043      4.649272      4.467840
  C      -9.339400      4.084976      5.139807
  C     -10.632061      4.267072      4.626364
  C     -11.728743      3.691641      5.256441
  C     -11.526918      2.919050      6.416588
  C     -10.260272      2.731842      6.945023
  C      -9.113684      3.317463      6.331294
  H      -5.378962      1.887666      2.668603
  H      -6.521527      2.404021      3.906207
  H      -5.905617      0.387664      5.292339
  H      -4.874835     -0.179957      3.965742
  H      -7.041983     -1.314174      3.791325
  H      -7.926007      0.218358      3.966051
  H      -8.750338      1.763359     -0.081727
  H      -5.401645     -0.589308     -2.178683
  H      -3.717405     -2.277830     -1.428486
  H      -3.624025     -2.974319      0.961132
  H      -5.168250     -1.978900      2.615102
  H      -5.860941      6.401687      6.076806
  H      -4.682288      7.211594      7.118446
  H      -3.368492      7.971808      5.209633
  H      -5.055747      8.471619      5.046794
  H      -3.758288      7.497325      2.949904
  H      -4.022613      5.932488      3.704742
  H      -8.620213      8.522882      3.064181
  H      -8.659877      5.331272     -0.233680
  H      -7.026674      3.605783     -1.024891
  H      -4.810993      3.389358      0.072944
  H      -4.175629      4.898977      1.926011
  H      -4.513948      2.761892      9.932504
  H      -5.287631      1.285581      9.322129
  H      -6.835938      3.095701     10.018323
  H      -6.256425      4.139513      8.721143
  H      -7.099439      1.409522      7.787811
  H      -8.385042      2.280600      8.610247
  H      -6.236664      4.826857      4.394889
  H     -10.735347      4.866456      3.719823
  H     -12.733630      3.829116      4.855671
  H     -12.383821      2.455761      6.910172
  H     -10.147804      2.115767      7.836670
95
Coordinates from ORCA-job orca E -6148.390960695529
  N      -4.480829      2.557780      4.483775
  Mo     -4.617460      3.518948      6.235838
  N      -4.294873      2.463034      7.888306
  C      -2.947339      1.958631      8.145780
  C      -2.118797      1.986824      6.866207
  N      -2.419401      3.226568      6.108102
  C      -2.108074      3.099329      4.660949
  C      -3.150962      2.213787      3.987800
  C      -1.812547      4.428558      6.726294
  C      -2.568358      5.675248      6.289874
  N      -4.012406      5.423037      6.269152
  H      -3.090997      2.362943      2.891271
  H      -2.903290      1.144246      4.151099
  H      -2.156173      4.111380      4.232036
  H      -1.083934      2.712167      4.508587
  H      -2.321031      6.493927      6.994134
  H      -2.198115      6.012936      5.301061
  H      -1.909590      4.307770      7.814180
  H      -0.736353      4.502940      6.483376
  H      -2.976474      0.918951      8.526784
  H      -2.457860      2.553112      8.946245
  H      -2.403734      1.140117      6.228199
  H      -1.036956      1.908690      7.076938
  C      -5.544850      1.879178      3.759505
  C      -5.750404      0.423059      4.202101
  C      -7.000617     -0.230401      3.570743
  C      -7.092414     -0.029964      2.085290
  N      -8.023067      0.816506      1.655030
  C      -8.071355      1.072949      0.322712
  N      -7.278230      0.605827     -0.621114
  C      -6.326051     -0.288071     -0.211220
  C      -5.449629     -0.851545     -1.171104
  C      -4.498038     -1.771653     -0.782622
  C      -4.387378     -2.168027      0.571065
  C      -5.223045     -1.628189      1.527998
  C      -6.203437     -0.671071      1.162734
  C      -4.777937      6.669475      6.185591
  C      -4.364523      7.593199      5.024459
  C      -4.409883      6.909794      3.657766
  C      -5.762291      6.882813      2.985013
  N      -6.661493      7.782802      3.357831
  C      -7.854674      7.787145      2.706890
  N      -8.241338      7.002858      1.722007
  C      -7.342107      6.049601      1.331798
  C      -7.695734      5.153984      0.292508
  C      -6.809923      4.178263     -0.116141
  C      -5.543344      4.055600      0.498338
  C      -5.169480      4.919274      1.508136
  C      -6.055316      5.938012      1.947142
  C      -5.111895      2.400138      9.094666
  C      -6.458914      3.089973      8.968461
  C      -7.440904      2.393889      7.996158
  C      -7.776527      3.169590      6.766759
  N      -6.720864      3.722826      6.089031
  C      -7.052663      4.438467      4.945068
  N      -8.226783      4.638985      4.429925
  C      -9.306023      4.065488      5.075938
  C     -10.590077      4.240669      4.537413
  C     -11.694945      3.658307      5.148089
  C     -11.510297      2.886829      6.311851
  C     -10.252367      2.703754      6.863622
  C      -9.099839      3.295140      6.269742
  H      -5.339350      1.908342      2.670279
  H      -6.491843      2.417914      3.900589
  H      -5.864914      0.405596      5.298952
  H      -4.849824     -0.164143      3.966266
  H      -7.010970     -1.305039      3.813982
  H      -7.903906      0.219045      4.004182
  H      -8.858354      1.767532      0.010806
  H      -5.560860     -0.542970     -2.211698
  H      -3.827550     -2.207374     -1.525904
  H      -3.637301     -2.907763      0.856252
  H      -5.135936     -1.942346      2.569121
  H      -5.846078      6.420458      6.106645
  H      -4.658296      7.243322      7.128508
  H      -3.344287      7.962587      5.199457
  H      -5.023427      8.473491      5.021201
  H      -3.723158      7.420709      2.957708
  H      -4.027497      5.882005      3.751652
  H      -8.570241      8.542942      3.047152
  H      -8.682545      5.259873     -0.160660
  H      -7.082623      3.485396     -0.914806
  H      -4.860269      3.270603      0.168584
  H      -4.189809      4.817619      1.974747
  H      -4.551347      2.854874      9.935698
  H      -5.279287      1.338273      9.380540
  H      -6.904319      3.110795      9.973566
  H      -6.313727      4.142123      8.667893
  H      -7.013693      1.412541      7.705022
  H      -8.372261      2.171834      8.529694
  H      -6.186182      4.836478      4.410070
  H     -10.683031      4.839672      3.629650
  H     -12.693358      3.791042      4.729303
  H     -12.373802      2.419748      6.790681
  H     -10.159154      2.089945      7.760939
95
Coordinates from ORCA-job orca E -6148.391921259196
  N      -4.481800      2.549174      4.499133
  Mo     -4.615280      3.522331      6.244953
  N      -4.294996      2.473114      7.903265
  C      -2.946541      1.974719      8.165043
  C      -2.119012      1.991854      6.886871
  N      -2.417988      3.226336      6.120649
  C      -2.108311      3.084472      4.675436
  C      -3.151907      2.194531      4.011674
  C      -1.809022      4.432831      6.727497
  C      -2.563836      5.676395      6.279995
  N      -4.007778      5.427828      6.264744
  H      -3.087513      2.334755      2.914105
  H      -2.910864      1.125294      4.186579
  H      -2.156953      4.091504      4.236521
  H      -1.084775      2.694245      4.526927
  H      -2.313994      6.501516      6.975655
  H      -2.196057      6.002990      5.286313
  H      -1.903874      4.321675      7.816379
  H      -0.733276      4.503258      6.481016
  H      -2.976976      0.938639      8.555704
  H      -2.460186      2.579171      8.959874
  H      -2.405007      1.141522      6.253950
  H      -1.037326      1.913757      7.098901
  C      -5.549727      1.879469      3.770786
  C      -5.773720      0.429493      4.220157
  C      -7.030914     -0.208553      3.590333
  C      -7.118844     -0.008327      2.103909
  N      -8.038998      0.847256      1.668682
  C      -8.081507      1.098982      0.334801
  N      -7.292272      0.617277     -0.605614
  C      -6.350731     -0.284412     -0.189007
  C      -5.478164     -0.862522     -1.143741
  C      -4.536588     -1.790371     -0.748119
  C      -4.432702     -2.179516      0.608059
  C      -5.265058     -1.625154      1.559866
  C      -6.234550     -0.660775      1.186448
  C      -4.774338      6.672754      6.178400
  C      -4.369465      7.600189      5.016558
  C      -4.410120      6.925837      3.645058
  C      -5.756223      6.900122      2.960464
  N      -6.660267      7.796128      3.331107
  C      -7.845400      7.808012      2.664629
  N      -8.218322      7.035727      1.665582
  C      -7.313597      6.086195      1.277602
  C      -7.651483      5.204240      0.221918
  C      -6.759787      4.233200     -0.184442
  C      -5.502719      4.101741      0.448707
  C      -5.143816      4.953437      1.473807
  C      -6.036047      5.966593      1.910043
  C      -5.108175      2.412020      9.111053
  C      -6.475915      3.053602      8.961945
  C      -7.388470      2.322102      7.947001
  C      -7.757518      3.134711      6.750355
  N      -6.717767      3.732442      6.079743
  C      -7.072848      4.472755      4.959379
  N      -8.254585      4.667720      4.461270
  C      -9.316318      4.057098      5.100608
  C     -10.608025      4.225603      4.578830
  C     -11.697125      3.605902      5.179767
  C     -11.490062      2.802997      6.318573
  C     -10.224902      2.625345      6.853726
  C      -9.086755      3.252500      6.268095
  H      -5.334066      1.898421      2.684177
  H      -6.490010      2.434118      3.899463
  H      -5.891687      0.418422      5.316057
  H      -4.880295     -0.170742      3.987440
  H      -7.053668     -1.282482      3.835335
  H      -7.928247      0.254206      4.023645
  H      -8.859540      1.801116      0.018305
  H      -5.584512     -0.558472     -2.186142
  H      -3.868991     -2.237288     -1.487162
  H      -3.690690     -2.924812      0.899398
  H      -5.183311     -1.933436      2.602892
  H      -5.841577      6.420891      6.103696
  H      -4.654727      7.247534      7.119968
  H      -3.350998      7.975587      5.192719
  H      -5.034631      8.475392      5.018500
  H      -3.720977      7.443283      2.952747
  H      -4.023562      5.898148      3.733328
  H      -8.565682      8.559197      3.004855
  H      -8.631223      5.316499     -0.244683
  H      -7.022186      3.550480     -0.994239
  H      -4.816238      3.318788      0.121524
  H      -4.172476      4.845611      1.956432
  H      -4.565434      2.900902      9.946276
  H      -5.240945      1.350934      9.414750
  H      -6.950428      3.048542      9.954269
  H      -6.363869      4.112269      8.672721
  H      -6.876506      1.395869      7.613534
  H      -8.304664      1.998580      8.452806
  H      -6.220237      4.899678      4.425924
  H     -10.720017      4.849599      3.690123
  H     -12.700865      3.734245      4.772768
  H     -12.341597      2.307985      6.790450
  H     -10.112458      1.988725      7.731832
95
Coordinates from ORCA-job orca E -6148.392494172278
  N      -4.469745      2.552170      4.521414
  Mo     -4.608601      3.536566      6.261298
  N      -4.291952      2.497583      7.930766
  C      -2.944359      2.007549      8.204154
  C      -2.113231      2.007618      6.928827
  N      -2.407934      3.233794      6.147272
  C      -2.093432      3.072553      4.705547
  C      -3.138840      2.182475      4.046720
  C      -1.794154      4.446668      6.739496
  C      -2.548671      5.686562      6.278738
  N      -3.994176      5.441318      6.269819
  H      -3.065133      2.310729      2.948384
  H      -2.909510      1.112518      4.236238
  H      -2.135929      4.075131      4.256479
  H      -1.071395      2.675826      4.565910
  H      -2.296002      6.519270      6.963807
  H      -2.184217      6.000084      5.278987
  H      -1.888078      4.348859      7.829647
  H      -0.718799      4.510614      6.490462
  H      -2.971721      0.976271      8.608088
  H      -2.463109      2.625506      8.992116
  H      -2.399285      1.150282      6.305031
  H      -1.032274      1.930798      7.144420
  C      -5.537513      1.890398      3.786220
  C      -5.782882      0.446629      4.241901
  C      -7.052998     -0.167464      3.616368
  C      -7.144892      0.041669      2.130831
  N      -8.048332      0.919548      1.703661
  C      -8.089989      1.178527      0.371177
  N      -7.316300      0.681981     -0.575249
  C      -6.394276     -0.242676     -0.166606
  C      -5.539932     -0.838079     -1.127302
  C      -4.618490     -1.789487     -0.739761
  C      -4.517803     -2.186044      0.614362
  C      -5.332716     -1.615449      1.571753
  C      -6.280129     -0.626292      1.206477
  C      -4.757730      6.687716      6.174500
  C      -4.359997      7.602843      5.000507
  C      -4.408297      6.924429      3.629684
  C      -5.752720      6.902037      2.940055
  N      -6.654628      7.803779      3.301238
  C      -7.836776      7.818405      2.627760
  N      -8.208881      7.043527      1.630170
  C      -7.307120      6.086602      1.253872
  C      -7.645328      5.197760      0.204414
  C      -6.757745      4.218641     -0.190034
  C      -5.502580      4.087005      0.447752
  C      -5.143378      4.945103      1.467588
  C      -6.033038      5.964610      1.893131
  C      -5.113396      2.436277      9.132010
  C      -6.501531      3.016491      8.937723
  C      -7.329712      2.252689      7.873544
  C      -7.725709      3.097525      6.707867
  N      -6.699816      3.748461      6.061385
  C      -7.073759      4.519186      4.968117
  N      -8.259490      4.699461      4.474040
  C      -9.304034      4.038722      5.087774
  C     -10.599400      4.191210      4.568982
  C     -11.672807      3.524748      5.146097
  C     -11.449037      2.691103      6.259567
  C     -10.181042      2.528075      6.791611
  C      -9.057001      3.200267      6.227936
  H      -5.309797      1.900461      2.702414
  H      -6.471679      2.456512      3.901196
  H      -5.900949      0.440420      5.337741
  H      -4.900019     -0.170138      4.011082
  H      -7.094738     -1.241450      3.857575
  H      -7.939280      0.311956      4.055744
  H      -8.852441      1.900130      0.061506
  H      -5.644169     -0.527929     -2.168038
  H      -3.965109     -2.249294     -1.483376
  H      -3.792681     -2.949922      0.899540
  H      -5.254161     -1.929629      2.612831
  H      -5.825056      6.434176      6.111815
  H      -4.629966      7.272072      7.108391
  H      -3.339260      7.978272      5.167398
  H      -5.025233      8.477945      5.002672
  H      -3.714319      7.433165      2.936663
  H      -4.027442      5.894328      3.721929
  H      -8.554812      8.575162      2.959750
  H      -8.623078      5.310430     -0.266055
  H      -7.022277      3.528713     -0.992495
  H      -4.819256      3.297429      0.130470
  H      -4.174625      4.836281      1.955180
  H      -4.602035      2.965563      9.963782
  H      -5.208581      1.378149      9.458895
  H      -7.015278      2.984509      9.909847
  H      -6.424936      4.079742      8.655962
  H      -6.733059      1.392032      7.508079
  H      -8.225911      1.831018      8.340105
  H      -6.233263      4.996816      4.459415
  H     -10.726588      4.841127      3.701316
  H     -12.678463      3.641435      4.740468
  H     -12.288999      2.161394      6.713802
  H     -10.054195      1.869968      7.650889
95
Coordinates from ORCA-job orca E -6148.391997132256
  N      -4.458355      2.537902      4.543176
  Mo     -4.605381      3.532809      6.276035
  N      -4.292670      2.508883      7.956648
  C      -2.944296      2.027406      8.233365
  C      -2.116774      2.018865      6.956926
  N      -2.407673      3.242285      6.170358
  C      -2.088063      3.080901      4.729979
  C      -3.123409      2.175413      4.075676
  C      -1.798734      4.454985      6.766815
  C      -2.554248      5.692610      6.302182
  N      -3.995676      5.435894      6.289323
  H      -3.048501      2.288334      2.975857
  H      -2.880101      1.112038      4.279770
  H      -2.138302      4.081222      4.278700
  H      -1.061704      2.693436      4.594693
  H      -2.308959      6.528067      6.986862
  H      -2.188000      6.008681      5.304637
  H      -1.897253      4.358310      7.856073
  H      -0.722125      4.519289      6.522878
  H      -2.966320      0.999670      8.646683
  H      -2.457386      2.650984      9.012598
  H      -2.409193      1.160410      6.337382
  H      -1.036345      1.936825      7.173821
  C      -5.523600      1.859537      3.813573
  C      -5.762294      0.418598      4.278822
  C      -7.047196     -0.199987      3.689767
  C      -7.193471     -0.000085      2.206623
  N      -8.141972      0.842382      1.807522
  C      -8.246529      1.084826      0.474861
  N      -7.500531      0.596109     -0.497269
  C      -6.531133     -0.290838     -0.116018
  C      -5.698610     -0.871640     -1.104458
  C      -4.728204     -1.784070     -0.743585
  C      -4.555987     -2.155301      0.610439
  C      -5.349035     -1.598253      1.593809
  C      -6.344988     -0.648601      1.255992
  C      -4.770059      6.676480      6.189620
  C      -4.373880      7.604836      5.026033
  C      -4.406442      6.938509      3.649955
  C      -5.745132      6.934045      2.950934
  N      -6.657207      7.816591      3.335513
  C      -7.836234      7.838515      2.659996
  N      -8.195718      7.088587      1.639677
  C      -7.279692      6.159979      1.231120
  C      -7.601098      5.308021      0.146711
  C      -6.697236      4.358110     -0.281334
  C      -5.444287      4.219181      0.360371
  C      -5.102570      5.041977      1.414198
  C      -6.007469      6.031695      1.871795
  C      -5.124127      2.453313      9.150809
  C      -6.512657      3.023842      8.919168
  C      -7.289708      2.240850      7.828814
  C      -7.686945      3.067578      6.653593
  N      -6.655168      3.717074      6.014599
  C      -7.015626      4.463808      4.900193
  N      -8.195350      4.621115      4.384165
  C      -9.246519      3.970036      4.998900
  C     -10.535302      4.104799      4.462557
  C     -11.613844      3.451602      5.047098
  C     -11.401485      2.651990      6.187686
  C     -10.138764      2.505865      6.737146
  C      -9.012355      3.160582      6.161956
  H      -5.295766      1.866739      2.729909
  H      -6.460093      2.423377      3.925075
  H      -5.854514      0.419824      5.376884
  H      -4.886468     -0.202137      4.033078
  H      -7.070946     -1.274529      3.933715
  H      -7.923191      0.271264      4.157711
  H      -9.041564      1.780042      0.188389
  H      -5.857820     -0.581455     -2.143929
  H      -4.091191     -2.232796     -1.507745
  H      -3.792666     -2.888797      0.874816
  H      -5.217037     -1.894421      2.634643
  H      -5.835236      6.418041      6.120322
  H      -4.650397      7.251159      7.129948
  H      -3.359920      7.993684      5.204667
  H      -5.046686      8.473343      5.027083
  H      -3.705496      7.457345      2.971012
  H      -4.031650      5.905378      3.731271
  H      -8.564726      8.576410      3.011307
  H      -8.577170      5.425698     -0.325881
  H      -6.946226      3.696879     -1.112024
  H      -4.746820      3.452428      0.018777
  H      -4.135123      4.928085      1.903312
  H      -4.630557      3.004680      9.978380
  H      -5.208161      1.399271      9.491198
  H      -7.067402      2.996707      9.868168
  H      -6.428028      4.083719      8.628813
  H      -6.625029      1.431001      7.458877
  H      -8.166973      1.752507      8.266369
  H      -6.181050      4.957035      4.398917
  H     -10.656493      4.731495      3.577133
  H     -12.615095      3.555402      4.627673
  H     -12.246163      2.137381      6.650393
  H     -10.019857      1.879887      7.621186
95
Coordinates from ORCA-job orca E -6148.391734161511
  N      -4.413189      2.519139      4.523049
  Mo     -4.595900      3.508259      6.251990
  N      -4.301573      2.483378      7.932854
  C      -2.952452      2.008455      8.219570
  C      -2.112233      2.020296      6.954362
  N      -2.402268      3.248776      6.178291
  C      -2.059796      3.105081      4.742699
  C      -3.068066      2.179307      4.073684
  C      -1.825423      4.462521      6.798841
  C      -2.584481      5.693568      6.325185
  N      -4.019060      5.418164      6.282568
  H      -2.982696      2.293291      2.974789
  H      -2.804406      1.122430      4.281251
  H      -2.123727      4.105767      4.294625
  H      -1.024088      2.737778      4.620970
  H      -2.364542      6.529456      7.018330
  H      -2.200863      6.019887      5.338167
  H      -1.944227      4.354902      7.884627
  H      -0.744635      4.544104      6.577413
  H      -2.977306      0.978336      8.626127
  H      -2.476266      2.627908      9.007620
  H      -2.390986      1.168010      6.320527
  H      -1.034263      1.941562      7.185661
  C      -5.463925      1.831299      3.777992
  C      -5.705212      0.390870      4.241790
  C      -6.992320     -0.224192      3.653743
  C      -7.151609     -0.007153      2.174270
  N      -8.103937      0.838076      1.793324
  C      -8.216764      1.101237      0.464640
  N      -7.475195      0.629137     -0.518440
  C      -6.500063     -0.259676     -0.155555
  C      -5.670735     -0.821715     -1.157343
  C      -4.693376     -1.733843     -0.814974
  C      -4.510738     -2.122834      0.532666
  C      -5.300398     -1.583533      1.528691
  C      -6.303830     -0.635830      1.210091
  C      -4.809265      6.645401      6.165477
  C      -4.409295      7.572728      5.001574
  C      -4.422291      6.886467      3.636888
  C      -5.759517      6.867345      2.935196
  N      -6.674080      7.756325      3.300293
  C      -7.852527      7.759240      2.625074
  N      -8.209669      6.983182      1.624286
  C      -7.289727      6.051093      1.233157
  C      -7.609079      5.174772      0.167737
  C      -6.701620      4.217994     -0.238484
  C      -5.449843      4.096000      0.409149
  C      -5.110450      4.943565      1.443445
  C      -6.017180      5.941811      1.876323
  C      -5.131628      2.428216      9.128682
  C      -6.517858      3.012362      8.914402
  C      -7.303263      2.257421      7.812586
  C      -7.728841      3.126629      6.685032
  N      -6.697450      3.786368      6.061180
  C      -7.052604      4.560107      4.966293
  N      -8.235343      4.744009      4.465004
  C      -9.292943      4.098817      5.080324
  C     -10.584690      4.270043      4.564577
  C     -11.668323      3.622104      5.147331
  C     -11.454918      2.790379      6.264940
  C     -10.188106      2.606610      6.793381
  C      -9.058732      3.255286      6.219179
  H      -5.221973      1.838228      2.697028
  H      -6.404579      2.391787      3.875489
  H      -5.795552      0.395330      5.339883
  H      -4.831840     -0.231666      3.992956
  H      -7.010047     -1.302379      3.884104
  H      -7.865771      0.236771      4.135581
  H      -9.015341      1.797930      0.192103
  H      -5.837427     -0.517283     -2.191570
  H      -4.058691     -2.168263     -1.589331
  H      -3.741772     -2.855783      0.782027
  H      -5.161508     -1.894620      2.564470
  H      -5.871287      6.379127      6.078464
  H      -4.710538      7.223188      7.106659
  H      -3.403738      7.976820      5.191486
  H      -5.092204      8.432826      4.983106
  H      -3.721130      7.401259      2.954306
  H      -4.043989      5.856704      3.736978
  H      -8.582848      8.503269      2.959711
  H      -8.585083      5.279765     -0.307950
  H      -6.947076      3.539569     -1.056606
  H      -4.750784      3.322573      0.086083
  H      -4.144300      4.841003      1.937670
  H      -4.636674      2.980763      9.953683
  H      -5.212699      1.373338      9.467098
  H      -7.072697      2.969472      9.862490
  H      -6.424421      4.077665      8.646936
  H      -6.617273      1.489405      7.392369
  H      -8.156800      1.720340      8.239362
  H      -6.216556      5.043698      4.460227
  H     -10.704405      4.921382      3.696744
  H     -12.673019      3.754058      4.744599
  H     -12.303355      2.280749      6.726540
  H     -10.068242      1.958005      7.661419
95
Coordinates from ORCA-job orca E -6148.391199792158
  N      -4.443708      2.585128      4.493739
  Mo     -4.608050      3.555375      6.236405
  N      -4.314285      2.503969      7.906556
  C      -2.969601      2.015704      8.188837
  C      -2.130696      2.020568      6.921695
  N      -2.411422      3.255284      6.152181
  C      -2.076330      3.110428      4.715398
  C      -3.106721      2.219312      4.038029
  C      -1.810374      4.461777      6.766433
  C      -2.556457      5.702817      6.298545
  N      -4.000579      5.460336      6.268375
  H      -3.017248      2.352963      2.941545
  H      -2.879058      1.149183      4.229214
  H      -2.121670      4.116462      4.274588
  H      -1.049759      2.721447      4.587634
  H      -2.314897      6.534313      6.988910
  H      -2.177991      6.018071      5.304242
  H      -1.920954      4.354969      7.853951
  H      -0.731440      4.527941      6.533480
  H      -3.002860      0.983804      8.590706
  H      -2.494924      2.633590      8.981232
  H      -2.417808      1.172628      6.286035
  H      -1.051923      1.933586      7.145833
  C      -5.498949      1.926372      3.737533
  C      -5.750296      0.481812      4.188064
  C      -7.029674     -0.127496      3.576223
  C      -7.142014      0.079877      2.090443
  N      -8.072860      0.930108      1.667379
  C      -8.130416      1.185012      0.334307
  N      -7.352572      0.704088     -0.617038
  C      -6.405611     -0.196797     -0.212843
  C      -5.546340     -0.776455     -1.178708
  C      -4.598146     -1.703413     -0.795795
  C      -4.475094     -2.090544      0.559089
  C      -5.294317     -1.534205      1.521394
  C      -6.268817     -0.570032      1.160681
  C      -4.757915      6.707250      6.156448
  C      -4.346062      7.601724      4.971090
  C      -4.376215      6.887700      3.617319
  C      -5.708138      6.854917      2.901518
  N      -6.605279      7.782195      3.204201
  C      -7.774611      7.780031      2.506708
  N      -8.139874      6.961408      1.542024
  C      -7.243620      5.976958      1.228230
  C      -7.577371      5.038585      0.221391
  C      -6.697872      4.027332     -0.104056
  C      -5.455473      3.912829      0.562301
  C      -5.099881      4.819902      1.540225
  C      -5.981487      5.873160      1.894111
  C      -5.136185      2.436344      9.109067
  C      -6.544768      2.959365      8.903015
  C      -7.326497      2.168012      7.825010
  C      -7.779234      3.050950      6.715998
  N      -6.760696      3.696545      6.052710
  C      -7.149686      4.507436      4.998525
  N      -8.347429      4.722806      4.547468
  C      -9.386489      4.073782      5.182601
  C     -10.695367      4.270256      4.714330
  C     -11.765372      3.625130      5.320634
  C     -11.526735      2.770333      6.415720
  C     -10.246002      2.562379      6.898138
  C      -9.124073      3.205720      6.297667
  H      -5.251658      1.937098      2.658234
  H      -6.433150      2.495929      3.837316
  H      -5.856593      0.477442      5.284636
  H      -4.874347     -0.141931      3.948728
  H      -7.066881     -1.202676      3.812616
  H      -7.909962      0.348318      4.031727
  H      -8.911640      1.887668      0.028084
  H      -5.668004     -0.473997     -2.219850
  H      -3.940957     -2.150676     -1.543687
  H      -3.729303     -2.835440      0.841030
  H      -5.199286     -1.842293      2.562811
  H      -5.825219      6.459754      6.085875
  H      -4.635145      7.301790      7.084520
  H      -3.328561      7.982830      5.145458
  H      -5.015126      8.473836      4.946431
  H      -3.661399      7.364106      2.923418
  H      -4.011566      5.855764      3.751401
  H      -8.488247      8.560451      2.789577
  H      -8.546164      5.138864     -0.269834
  H      -6.960920      3.297882     -0.871107
  H      -4.780648      3.095690      0.301727
  H      -4.143176      4.719390      2.053186
  H      -4.650075      3.008423      9.928219
  H      -5.185953      1.383328      9.460595
  H      -7.075574      2.911943      9.865682
  H      -6.496666      4.023685      8.620034
  H      -6.655974      1.393909      7.399666
  H      -8.172152      1.637917      8.274913
  H      -6.316630      4.986996      4.481515
  H     -10.834785      4.939205      3.862989
  H     -12.781395      3.776633      4.954233
  H     -12.365891      2.262299      6.895414
  H     -10.104176      1.896356      7.748989
95
Coordinates from ORCA-job orca E -6148.392234209542
  N      -4.457717      2.575165      4.506626
  Mo     -4.620803      3.540318      6.255675
  N      -4.300318      2.497920      7.930806
  C      -2.950551      2.021975      8.205897
  C      -2.118786      2.026088      6.927547
  N      -2.415132      3.257134      6.152151
  C      -2.089176      3.116915      4.709548
  C      -3.120852      2.225070      4.032662
  C      -1.808559      4.467363      6.759666
  C      -2.573636      5.705325      6.312755
  N      -4.018878      5.446475      6.299628
  H      -3.042224      2.360150      2.935591
  H      -2.881634      1.155211      4.217101
  H      -2.141152      4.127117      4.276037
  H      -1.061427      2.735717      4.569700
  H      -2.329360      6.532244      7.007479
  H      -2.211809      6.034018      5.316401
  H      -1.905893      4.358169      7.848841
  H      -0.733263      4.539809      6.515155
  H      -2.959281      0.990579      8.611389
  H      -2.470971      2.645500      8.992220
  H      -2.407255      1.170671      6.302668
  H      -1.037159      1.948883      7.139422
  C      -5.507327      1.894544      3.766583
  C      -5.725072      0.444925      4.225869
  C      -7.007869     -0.195012      3.649012
  C      -7.164442     -0.017017      2.164656
  N      -8.126301      0.807982      1.759450
  C      -8.239981      1.031006      0.425610
  N      -7.491974      0.542695     -0.545308
  C      -6.514179     -0.333367     -0.161045
  C      -5.685177     -0.920419     -1.148743
  C      -4.709390     -1.825759     -0.786065
  C      -4.528280     -2.185754      0.570020
  C      -5.317030     -1.623221      1.553317
  C      -6.318107     -0.676572      1.214480
  C      -4.784126      6.695108      6.222819
  C      -4.378853      7.619038      5.060229
  C      -4.403300      6.945602      3.684329
  C      -5.736516      6.919874      2.970975
  N      -6.657744      7.801179      3.330968
  C      -7.833678      7.799624      2.645427
  N      -8.183834      7.025605      1.637796
  C      -7.260823      6.090567      1.260243
  C      -7.572149      5.205921      0.198593
  C      -6.661985      4.250490     -0.201276
  C      -5.409548      4.137187      0.444283
  C      -5.076578      4.988726      1.479123
  C      -5.989495      5.987777      1.909282
  C      -5.131376      2.440323      9.129182
  C      -6.527346      2.984849      8.892779
  C      -7.313892      2.207737      7.806185
  C      -7.717253      3.071008      6.660408
  N      -6.680210      3.710906      6.021673
  C      -7.042971      4.492895      4.934265
  N      -8.227238      4.682191      4.434743
  C      -9.281721      4.043262      5.050433
  C     -10.578191      4.214603      4.536067
  C     -11.660371      3.577768      5.129577
  C     -11.449956      2.757656      6.256029
  C     -10.182296      2.573873      6.782718
  C      -9.048996      3.210477      6.197084
  H      -5.272792      1.911799      2.683808
  H      -6.451618      2.441656      3.879249
  H      -5.806835      0.441816      5.325865
  H      -4.842247     -0.163761      3.976956
  H      -7.023430     -1.266609      3.902711
  H      -7.886153      0.272165      4.115816
  H      -9.043066      1.716828      0.136386
  H      -5.852135     -0.641607     -2.190242
  H      -4.075697     -2.278714     -1.550819
  H      -3.762014     -2.915789      0.835903
  H      -5.176840     -1.911114      2.595474
  H      -5.850328      6.438302      6.158694
  H      -4.654958      7.269476      7.163354
  H      -3.363708      8.002923      5.238598
  H      -5.053024      8.488411      5.060157
  H      -3.693643      7.450958      3.005721
  H      -4.029344      5.914070      3.782697
  H      -8.568841      8.540475      2.975550
  H      -8.548123      5.303434     -0.279093
  H      -6.905401      3.562693     -1.012873
  H      -4.706334      3.366510      0.123632
  H      -4.109648      4.890039      1.972366
  H      -4.640419      3.005695      9.948185
  H      -5.204976      1.389986      9.487488
  H      -7.077098      2.961406      9.844806
  H      -6.448279      4.043949      8.595070
  H      -6.663985      1.402604      7.411377
  H      -8.188500      1.717739      8.248593
  H      -6.196127      4.973253      4.436503
  H     -10.698564      4.856397      3.661659
  H     -12.665962      3.709448      4.727683
  H     -12.299282      2.256377      6.724933
  H     -10.062630      1.934606      7.658289
95
Coordinates from ORCA-job orca E -6148.391793379268
  N      -4.426240      2.526037      4.519838
  Mo     -4.580492      3.516783      6.248281
  N      -4.300925      2.483466      7.926789
  C      -2.959079      1.983990      8.207788
  C      -2.125416      1.981583      6.942454
  N      -2.394693      3.214898      6.168656
  C      -2.058828      3.059179      4.734251
  C      -3.087737      2.155457      4.070377
  C      -1.795564      4.421887      6.782697
  C      -2.535222      5.663435      6.305949
  N      -3.975189      5.418594      6.274809
  H      -3.000446      2.275738      2.972259
  H      -2.856492      1.091792      4.276818
  H      -2.105650      4.057272      4.281446
  H      -1.031451      2.668712      4.614657
  H      -2.297198      6.499304      6.992852
  H      -2.156019      5.976600      5.312758
  H      -1.906235      4.318542      7.869006
  H      -0.715531      4.484261      6.549719
  H      -3.008580      0.954342      8.612757
  H      -2.473977      2.598184      8.994229
  H      -2.421701      1.137662      6.305319
  H      -1.048589      1.880238      7.172325
  C      -5.492087      1.851848      3.779640
  C      -5.748123      0.416178      4.242075
  C      -7.034621     -0.175320      3.636741
  C      -7.143032      0.014173      2.147097
  N      -8.061054      0.870034      1.710725
  C      -8.112630      1.107863      0.372356
  N      -7.342454      0.596414     -0.569318
  C      -6.406171     -0.307297     -0.147006
  C      -5.552146     -0.913818     -1.101010
  C      -4.614221     -1.844116     -0.699749
  C      -4.498154     -2.206784      0.662154
  C      -5.312628     -1.622273      1.612332
  C      -6.274269     -0.655398      1.232133
  C      -4.746164      6.657167      6.180038
  C      -4.375842      7.594370      5.011714
  C      -4.445759      6.932548      3.637812
  C      -5.803943      6.938310      2.980897
  N      -6.688963      7.842840      3.378184
  C      -7.888888      7.871072      2.740298
  N      -8.291494      7.105544      1.750501
  C      -7.403273      6.154865      1.329577
  C      -7.775316      5.284533      0.276985
  C      -6.900104      4.310213     -0.156680
  C      -5.628314      4.167179      0.448408
  C      -5.238702      5.008733      1.469736
  C      -6.113060      6.021183      1.930283
  C      -5.126605      2.433055      9.122220
  C      -6.502302      3.048796      8.908548
  C      -7.291088      2.295363      7.807161
  C      -7.682646      3.130201      6.635142
  N      -6.647722      3.774577      5.990991
  C      -6.999872      4.499266      4.860185
  N      -8.177059      4.654929      4.340241
  C      -9.234674      4.030995      4.973156
  C     -10.522108      4.170321      4.437993
  C     -11.607505      3.541409      5.036456
  C     -11.402766      2.761119      6.192437
  C     -10.140838      2.609527      6.740414
  C      -9.008443      3.238912      6.149374
  H      -5.249973      1.851249      2.699941
  H      -6.423183      2.430374      3.879558
  H      -5.850184      0.422201      5.338566
  H      -4.882552     -0.219847      3.999331
  H      -7.087131     -1.248831      3.883941
  H      -7.906758      0.318148      4.089665
  H      -8.880889      1.817224      0.051167
  H      -5.669645     -0.628652     -2.147390
  H      -3.960866     -2.312369     -1.437673
  H      -3.761696     -2.954698      0.959758
  H      -5.225434     -1.914055      2.658757
  H      -5.813461      6.408325      6.119491
  H      -4.613849      7.227058      7.120746
  H      -3.359864      7.986613      5.173841
  H      -5.053639      8.457872      5.034926
  H      -3.759441      7.447060      2.941196
  H      -4.077146      5.895620      3.711659
  H      -8.593190      8.627189      3.101888
  H      -8.765282      5.408310     -0.163731
  H      -7.189651      3.635634     -0.962197
  H      -4.956698      3.379145      0.103617
  H      -4.260119      4.885671      1.933758
  H      -4.623834      2.971671      9.954249
  H      -5.227832      1.377657      9.447516
  H      -7.065473      3.021463      9.853171
  H      -6.382723      4.110602      8.640950
  H      -6.620484      1.496284      7.419296
  H      -8.163655      1.791895      8.235834
  H      -6.166909      4.974909      4.342585
  H     -10.635518      4.782042      3.540688
  H     -12.608016      3.648475      4.616602
  H     -12.253648      2.267770      6.666570
  H     -10.018371      2.003025      7.636684
95
Coordinates from ORCA-job orca E -6148.392022406671
  N      -4.446109      2.554901      4.519217
  Mo     -4.613581      3.533706      6.255972
  N      -4.298190      2.509323      7.941717
  C      -2.944951      2.043444      8.222208
  C      -2.113159      2.041107      6.949696
  N      -2.412525      3.261267      6.163002
  C      -2.080055      3.101949      4.725767
  C      -3.107189      2.197122      4.059207
  C      -1.819550      4.482002      6.759275
  C      -2.588029      5.709544      6.291839
  N      -4.028765      5.442858      6.278017
  H      -3.024661      2.319556      2.961186
  H      -2.868762      1.132197      4.258594
  H      -2.131498      4.103116      4.275126
  H      -1.051011      2.719074      4.598749
  H      -2.351720      6.549963      6.973333
  H      -2.225505      6.023877      5.292658
  H      -1.917822      4.384206      7.848612
  H      -0.743851      4.559613      6.515376
  H      -2.955700      1.017823      8.640810
  H      -2.469049      2.677992      8.999519
  H      -2.395427      1.180468      6.328810
  H      -1.032376      1.969059      7.168763
  C      -5.501083      1.875366      3.778744
  C      -5.741764      0.433399      4.239261
  C      -7.038415     -0.155488      3.649457
  C      -7.174558      0.069206      2.169876
  N      -8.073926      0.968968      1.783623
  C      -8.150145      1.251081      0.457091
  N      -7.414977      0.755415     -0.519434
  C      -6.499149     -0.192902     -0.152973
  C      -5.686659     -0.789269     -1.148701
  C      -4.772844     -1.764251     -0.804870
  C      -4.639243     -2.184636      0.539262
  C      -5.412317     -1.613119      1.530103
  C      -6.350046     -0.599593      1.210387
  C      -4.808542      6.677510      6.165812
  C      -4.403683      7.601799      5.000419
  C      -4.391326      6.919974      3.631708
  C      -5.710607      6.887111      2.897845
  N      -6.635130      7.776293      3.232463
  C      -7.794137      7.777101      2.521492
  N      -8.123873      6.997299      1.513660
  C      -7.198089      6.054378      1.162427
  C      -7.493765      5.161125      0.103916
  C      -6.579403      4.197524     -0.267718
  C      -5.339109      4.088951      0.402796
  C      -5.023196      4.949957      1.434318
  C      -5.941727      5.951756      1.837773
  C      -5.114209      2.459267      9.150925
  C      -6.527646      2.981087      8.950052
  C      -7.305148      2.195629      7.866804
  C      -7.742009      3.059056      6.736560
  N      -6.726526      3.755277      6.124732
  C      -7.101448      4.529717      5.036875
  N      -8.285947      4.680772      4.527855
  C      -9.325462      4.001267      5.130867
  C     -10.621567      4.136934      4.609341
  C     -11.687594      3.458088      5.186186
  C     -11.458164      2.631092      6.304551
  C     -10.189263      2.480988      6.837448
  C      -9.073863      3.159946      6.267531
  H      -5.262737      1.881712      2.697111
  H      -6.441333      2.432858      3.884045
  H      -5.827453      0.427335      5.338186
  H      -4.873998     -0.193879      3.983581
  H      -7.093956     -1.231630      3.881471
  H      -7.900789      0.336182      4.120905
  H      -8.907249      1.991605      0.180642
  H      -5.816721     -0.460886     -2.180940
  H      -4.151906     -2.224435     -1.575556
  H      -3.922420     -2.968228      0.790027
  H      -5.309723     -1.947559      2.562918
  H      -5.871574      6.409844      6.085124
  H      -4.701953      7.261579      7.102409
  H      -3.400957      8.008917      5.196314
  H      -5.093901      8.457155      4.981229
  H      -3.673901      7.432414      2.965417
  H      -4.009104      5.892108      3.740796
  H      -8.531937      8.524726      2.830257
  H      -8.460390      5.258040     -0.392371
  H      -6.810575      3.503116     -1.077064
  H      -4.631960      3.313861      0.102237
  H      -4.065839      4.854940      1.946441
  H      -4.623184      3.042436      9.956752
  H      -5.156678      1.411062      9.517712
  H      -7.063197      2.933360      9.909075
  H      -6.477347      4.045767      8.666483
  H      -6.622181      1.424401      7.453104
  H      -8.156783      1.665271      8.306254
  H      -6.271014      5.036526      4.543234
  H     -10.755303      4.786198      3.742114
  H     -12.693933      3.562730      4.778893
  H     -12.294689      2.098282      6.761564
  H     -10.052686      1.837468      7.706958
95
Coordinates from ORCA-job orca E -6148.391890259327
  N      -4.438837      2.576655      4.491274
  Mo     -4.620001      3.525432      6.245087
  N      -4.300578      2.471218      7.910503
  C      -2.945819      2.005737      8.188469
  C      -2.107887      2.035409      6.914439
  N      -2.414723      3.271911      6.151353
  C      -2.080208      3.150446      4.708562
  C      -3.095933      2.246876      4.020477
  C      -1.833029      4.484359      6.777136
  C      -2.609070      5.716387      6.333649
  N      -4.050462      5.439527      6.304186
  H      -3.016254      2.391613      2.924683
  H      -2.840943      1.179687      4.197097
  H      -2.146103      4.162891      4.281394
  H      -1.046110      2.785813      4.570345
  H      -2.381694      6.541428      7.036673
  H      -2.240549      6.057027      5.344074
  H      -1.937824      4.362377      7.864381
  H      -0.756634      4.576043      6.543007
  H      -2.949495      0.970680      8.584132
  H      -2.477329      2.625473      8.983996
  H      -2.382865      1.184533      6.277482
  H      -1.026566      1.967142      7.131230
  C      -5.480337      1.892496      3.741924
  C      -5.695134      0.439139      4.193490
  C      -6.976412     -0.202305      3.611657
  C      -7.131823     -0.014354      2.128721
  N      -8.090145      0.816554      1.728665
  C      -8.199057      1.054688      0.396997
  N      -7.447030      0.578307     -0.576022
  C      -6.471554     -0.303800     -0.197956
  C      -5.639369     -0.879523     -1.189502
  C      -4.666007     -1.789928     -0.833467
  C      -4.489881     -2.165622      0.519116
  C      -5.281112     -1.613572      1.506316
  C      -6.280909     -0.663269      1.174571
  C      -4.832200      6.675822      6.216429
  C      -4.425150      7.600802      5.054467
  C      -4.422762      6.911868      3.686496
  C      -5.750796      6.858360      2.963394
  N      -6.686317      7.732016      3.306323
  C      -7.858565      7.704409      2.615301
  N      -8.193215      6.910297      1.618130
  C      -7.254187      5.984902      1.255834
  C      -7.548221      5.081704      0.204747
  C      -6.622495      4.133479     -0.177579
  C      -5.372643      4.045930      0.475888
  C      -5.055575      4.917423      1.498935
  C      -5.984371      5.909488      1.911870
  C      -5.132840      2.400993      9.106166
  C      -6.525349      2.952443      8.874740
  C      -7.329420      2.188486      7.791603
  C      -7.746100      3.071762      6.668077
  N      -6.704214      3.658922      5.991931
  C      -7.063651      4.463533      4.922410
  N      -8.254400      4.715062      4.466415
  C      -9.317800      4.122838      5.116481
  C     -10.621047      4.360307      4.648210
  C     -11.712160      3.771904      5.275014
  C     -11.502076      2.934955      6.389165
  C     -10.227658      2.686553      6.871104
  C      -9.085095      3.270934      6.249848
  H      -5.241475      1.915520      2.659728
  H      -6.428159      2.434111      3.851857
  H      -5.777077      0.431168      5.293542
  H      -4.810600     -0.164410      3.938520
  H      -6.990192     -1.275521      3.859011
  H      -7.855806      0.259967      4.080402
  H      -9.002638      1.741813      0.112128
  H      -5.802058     -0.588202     -2.228287
  H      -4.030018     -2.234568     -1.601332
  H      -3.725129     -2.899425      0.779296
  H      -5.145165     -1.914459      2.545728
  H      -5.895065      6.406920      6.136295
  H      -4.724441      7.254876      7.157511
  H      -3.419464      8.002424      5.244775
  H      -5.113178      8.458987      5.037623
  H      -3.715419      7.421884      3.008289
  H      -4.033212      5.888184      3.800526
  H      -8.604833      8.440530      2.931463
  H      -8.523160      5.159585     -0.278724
  H      -6.851729      3.432799     -0.982873
  H      -4.657746      3.280565      0.168362
  H      -4.089482      4.838673      1.997475
  H      -4.645975      2.962120      9.929760
  H      -5.205017      1.347198      9.456022
  H      -7.068120      2.926812      9.830205
  H      -6.441706      4.013964      8.585444
  H      -6.691340      1.382915      7.376586
  H      -8.198761      1.697011      8.240818
  H      -6.209904      4.896476      4.393190
  H     -10.739106      5.014889      3.782935
  H     -12.723744      3.954768      4.909860
  H     -12.358601      2.473579      6.885435
  H     -10.109096      2.037702      7.740124
95
Coordinates from ORCA-job orca E -6148.393067705360
  N      -4.435514      2.556842      4.511793
  Mo     -4.605199      3.525522      6.253678
  N      -4.297983      2.486640      7.930269
  C      -2.947834      2.010284      8.209362
  C      -2.113929      2.018859      6.938161
  N      -2.406382      3.249737      6.164909
  C      -2.070991      3.105290      4.726806
  C      -3.095084      2.203597      4.051682
  C      -1.814626      4.463043      6.777486
  C      -2.577277      5.696708      6.316427
  N      -4.018845      5.434488      6.292313
  H      -3.010606      2.335658      2.954718
  H      -2.856301      1.136926      4.244085
  H      -2.124726      4.109924      4.284460
  H      -1.041068      2.725255      4.598992
  H      -2.343002      6.529796      7.007530
  H      -2.208411      6.020355      5.321806
  H      -1.918274      4.354232      7.865223
  H      -0.737548      4.540955      6.539421
  H      -2.967812      0.979781      8.615572
  H      -2.472064      2.634258      8.995890
  H      -2.398896      1.167383      6.306048
  H      -1.033955      1.938366      7.158904
  C      -5.488240      1.879613      3.766007
  C      -5.727348      0.434853      4.220811
  C      -7.018771     -0.166184      3.628342
  C      -7.147666      0.034255      2.143347
  N      -8.065487      0.903561      1.731171
  C      -8.139945      1.152673      0.397736
  N      -7.389472      0.648503     -0.563215
  C      -6.455764     -0.270827     -0.169524
  C      -5.626206     -0.874780     -1.146442
  C      -4.693466     -1.821487     -0.774466
  C      -4.557516     -2.205065      0.580209
  C      -5.347460     -1.625172      1.552948
  C      -6.304400     -0.639690      1.203829
  C      -4.793837      6.672862      6.195758
  C      -4.398898      7.600325      5.029491
  C      -4.423648      6.924948      3.657067
  C      -5.758548      6.909765      2.949300
  N      -6.665717      7.809146      3.303056
  C      -7.842461      7.819350      2.620338
  N      -8.205574      7.038729      1.624555
  C      -7.296923      6.086995      1.252698
  C      -7.626607      5.193913      0.204232
  C      -6.731510      4.219299     -0.184831
  C      -5.477570      4.098597      0.458111
  C      -5.127436      4.960624      1.477771
  C      -6.025313      5.974192      1.897945
  C      -5.120568      2.433703      9.131806
  C      -6.512711      2.999640      8.912749
  C      -7.301193      2.229273      7.824272
  C      -7.711398      3.083927      6.674539
  N      -6.679774      3.725689      6.027357
  C      -7.043090      4.475897      4.918493
  N      -8.227518      4.652400      4.417757
  C      -9.280936      4.027202      5.052953
  C     -10.577379      4.188888      4.540152
  C     -11.658396      3.561374      5.146496
  C     -11.443882      2.760226      6.286097
  C     -10.174889      2.586013      6.811480
  C      -9.044189      3.213312      6.212344
  H      -5.246099      1.890944      2.685484
  H      -6.427903      2.439030      3.870675
  H      -5.815707      0.428818      5.319452
  H      -4.856921     -0.189740      3.966449
  H      -7.066197     -1.239943      3.871198
  H      -7.888022      0.322121      4.091302
  H      -8.909066      1.872042      0.099839
  H      -5.758445     -0.575027     -2.187058
  H      -4.059347     -2.287544     -1.530702
  H      -3.825317     -2.966382      0.853869
  H      -5.243203     -1.931735      2.593983
  H      -5.858472      6.412888      6.124128
  H      -4.675166      7.251173      7.134448
  H      -3.388107      7.995920      5.210090
  H      -5.081498      8.461823      5.028730
  H      -3.714210      7.430388      2.977756
  H      -4.052726      5.891658      3.755524
  H      -8.564833      8.575018      2.945289
  H      -8.603508      5.299925     -0.269466
  H      -6.990380      3.524446     -0.984833
  H      -4.787548      3.312950      0.145517
  H      -4.160305      4.855269      1.969381
  H      -4.624469      2.995263      9.951294
  H      -5.196302      1.382060      9.481783
  H      -7.061960      2.971082      9.865184
  H      -6.424251      4.061230      8.628561
  H      -6.639181      1.433121      7.424722
  H      -8.168704      1.725382      8.263702
  H      -6.203202      4.945448      4.402864
  H     -10.699170      4.816199      3.655157
  H     -12.664897      3.685497      4.745186
  H     -12.292244      2.267896      6.765992
  H     -10.048018      1.963859      7.697457
95
Coordinates from ORCA-job orca E -6148.393040618507
  N      -4.432034      2.567858      4.511538
  Mo     -4.609445      3.531550      6.254086
  N      -4.298887      2.494091      7.930716
  C      -2.945083      2.029676      8.210762
  C      -2.110751      2.045571      6.940174
  N      -2.411114      3.274539      6.167692
  C      -2.073290      3.135277      4.729808
  C      -3.089350      2.225463      4.052508
  C      -1.830878      4.490954      6.783669
  C      -2.602376      5.719434      6.324397
  N      -4.040343      5.443796      6.297995
  H      -3.005426      2.357103      2.955549
  H      -2.840004      1.161604      4.244699
  H      -2.134069      4.140122      4.288829
  H      -1.040036      2.763968      4.602147
  H      -2.375890      6.553714      7.016841
  H      -2.234422      6.047741      5.331506
  H      -1.935752      4.379262      7.870924
  H      -0.753866      4.578453      6.548383
  H      -2.955963      0.999481      8.617945
  H      -2.473201      2.656744      8.996645
  H      -2.389627      1.192504      6.307505
  H      -1.030443      1.972229      7.161759
  C      -5.482240      1.887529      3.764576
  C      -5.720036      0.442398      4.218960
  C      -7.021714     -0.152367      3.643231
  C      -7.177895      0.062511      2.163538
  N      -8.099611      0.940270      1.779734
  C      -8.201688      1.203158      0.450818
  N      -7.473846      0.706175     -0.530616
  C      -6.534493     -0.219557     -0.165979
  C      -5.727003     -0.814989     -1.166312
  C      -4.788887     -1.767113     -0.823380
  C      -4.625297     -2.164727      0.524278
  C      -5.393466     -1.593649      1.519298
  C      -6.355771     -0.603411      1.200211
  C      -4.828522      6.672518      6.189772
  C      -4.430540      7.603554      5.027680
  C      -4.403599      6.918863      3.660642
  C      -5.723833      6.853304      2.930082
  N      -6.674469      7.710524      3.274912
  C      -7.840193      7.671920      2.576109
  N      -8.153557      6.881366      1.571458
  C      -7.197508      5.975090      1.205440
  C      -7.469739      5.079430      0.142786
  C      -6.523987      4.152438     -0.243466
  C      -5.276158      4.082360      0.418260
  C      -4.982428      4.947517      1.452746
  C      -5.932099      5.914305      1.869023
  C      -5.121539      2.437204      9.132714
  C      -6.525172      2.975071      8.911368
  C      -7.291190      2.198321      7.811595
  C      -7.730444      3.067465      6.686285
  N      -6.709327      3.725490      6.041200
  C      -7.086200      4.495544      4.951161
  N      -8.277478      4.676116      4.467706
  C      -9.322326      4.036570      5.104811
  C     -10.625627      4.205340      4.612719
  C     -11.697562      3.565776      5.223069
  C     -11.466175      2.745686      6.346048
  C     -10.189943      2.563665      6.850729
  C      -9.068931      3.201504      6.245766
  H      -5.240274      1.900333      2.683885
  H      -6.423605      2.444193      3.868981
  H      -5.793879      0.434010      5.318705
  H      -4.854797     -0.183604      3.951374
  H      -7.066823     -1.228158      3.878461
  H      -7.881688      0.333742      4.124882
  H      -8.975393      1.926994      0.176464
  H      -5.880003     -0.504213     -2.200840
  H      -4.171650     -2.226668     -1.597397
  H      -3.888922     -2.930092      0.774650
  H      -5.267864     -1.910776      2.554996
  H      -5.889266      6.399139      6.104581
  H      -4.729289      7.252928      7.129492
  H      -3.435809      8.027608      5.229248
  H      -5.134748      8.447064      5.003786
  H      -3.699818      7.446625      2.991845
  H      -3.998833      5.899935      3.771506
  H      -8.600061      8.393267      2.893771
  H      -8.442746      5.146066     -0.345928
  H      -6.736433      3.457065     -1.056804
  H      -4.544600      3.334566      0.107151
  H      -4.018112      4.883525      1.956632
  H      -4.637166      3.014932      9.946938
  H      -5.174650      1.386718      9.490792
  H      -7.078908      2.929981      9.860184
  H      -6.457034      4.039968      8.633083
  H      -6.597720      1.440371      7.389893
  H      -8.137408      1.650482      8.239698
  H      -6.254345      4.973794      4.431152
  H     -10.760670      4.848271      3.740956
  H     -12.709789      3.695826      4.838414
  H     -12.307496      2.245002      6.829814
  H     -10.050865      1.928323      7.725818
95
Coordinates from ORCA-job orca E -6148.393157944890
  N      -4.425187      2.565885      4.508328
  Mo     -4.605294      3.525816      6.252888
  N      -4.295105      2.485836      7.928696
  C      -2.942126      2.020067      8.209792
  C      -2.105585      2.037516      6.940060
  N      -2.405504      3.267274      6.168190
  C      -2.065470      3.128650      4.730670
  C      -3.082124      2.222358      4.050050
  C      -1.825018      4.483938      6.784599
  C      -2.597079      5.712677      6.326282
  N      -4.036057      5.438131      6.299246
  H      -2.996280      2.357280      2.953625
  H      -2.836485      1.156903      4.240074
  H      -2.123745      4.134313      4.290742
  H      -1.032786      2.755571      4.604390
  H      -2.370551      6.545917      7.019845
  H      -2.229424      6.042040      5.333279
  H      -1.929623      4.371454      7.871926
  H      -0.748209      4.571705      6.548947
  H      -2.953232      0.988904      8.614689
  H      -2.472190      2.646279      8.997995
  H      -2.382989      1.184826      6.306210
  H      -1.025426      1.964717      7.162505
  C      -5.473030      1.885462      3.759593
  C      -5.707625      0.438380      4.210576
  C      -7.007482     -0.157075      3.630937
  C      -7.153822      0.052110      2.149310
  N      -8.069654      0.931683      1.755017
  C      -8.161389      1.188230      0.424234
  N      -7.429252      0.683028     -0.550021
  C      -6.496627     -0.245102     -0.174716
  C      -5.685258     -0.849330     -1.166619
  C      -4.753735     -1.804020     -0.812894
  C      -4.600712     -2.195582      0.537759
  C      -5.372723     -1.615916      1.524811
  C      -6.328377     -0.622632      1.194551
  C      -4.822537      6.668630      6.197173
  C      -4.427597      7.598455      5.033133
  C      -4.423353      6.916921      3.663747
  C      -5.749784      6.872321      2.942053
  N      -6.681333      7.749805      3.287267
  C      -7.851001      7.732333      2.593116
  N      -8.185713      6.943713      1.593625
  C      -7.250842      6.014835      1.229315
  C      -7.548062      5.116432      0.175648
  C      -6.624621      4.166552     -0.208518
  C      -5.373713      4.076547      0.444950
  C      -5.055485      4.943557      1.470821
  C      -5.983058      5.932285      1.886441
  C      -5.119721      2.428413      9.129361
  C      -6.517772      2.982427      8.912391
  C      -7.307068      2.212636      7.824403
  C      -7.723238      3.073694      6.683001
  N      -6.691996      3.715568      6.037342
  C      -7.057617      4.484226      4.941821
  N      -8.244306      4.672482      4.450254
  C      -9.297536      4.044286      5.083325
  C     -10.596463      4.219265      4.580879
  C     -11.677015      3.591454      5.187737
  C     -11.459710      2.777064      6.317533
  C     -10.188376      2.589437      6.832546
  C      -9.058070      3.215520      6.231608
  H      -5.230445      1.900978      2.679053
  H      -6.415783      2.439070      3.865015
  H      -5.783304      0.426948      5.310211
  H      -4.840925     -0.185831      3.943239
  H      -7.056064     -1.231723      3.869598
  H      -7.869356      0.332292      4.106093
  H      -8.929873      1.914317      0.141154
  H      -5.830181     -0.543259     -2.203721
  H      -4.133612     -2.270182     -1.580637
  H      -3.869556     -2.963032      0.796845
  H      -5.255016     -1.928195      2.562872
  H      -5.883995      6.396748      6.117313
  H      -4.716851      7.249210      7.136178
  H      -3.425917      8.011107      5.224372
  H      -5.123878      8.448951      5.020073
  H      -3.715710      7.433178      2.990460
  H      -4.034666      5.891275      3.770412
  H      -8.594239      8.470682      2.910857
  H      -8.522862      5.199059     -0.307026
  H      -6.857948      3.467703     -1.013094
  H      -4.659772      3.311521      0.134861
  H      -4.089270      4.863139      1.968765
  H      -4.628425      2.995363      9.947360
  H      -5.185998      1.376667      9.481638
  H      -7.064355      2.948603      9.865961
  H      -6.437613      4.045433      8.629989
  H      -6.643516      1.421152      7.417977
  H      -8.171833      1.704102      8.264039
  H      -6.217742      4.953581      4.425940
  H     -10.720445      4.857338      3.703951
  H     -12.685556      3.726058      4.794930
  H     -12.307966      2.285186      6.798168
  H     -10.059583      1.957931      7.711847
95
Coordinates from ORCA-job orca E -6148.393126503532
  N      -4.408802      2.567183      4.518180
  Mo     -4.595509      3.532171      6.259127
  N      -4.292552      2.497289      7.940109
  C      -2.940198      2.034919      8.229676
  C      -2.098432      2.046551      6.962931
  N      -2.395096      3.273259      6.184335
  C      -2.049624      3.127953      4.748467
  C      -3.064214      2.219190      4.067697
  C      -1.816128      4.492196      6.797900
  C      -2.587160      5.719469      6.333836
  N      -4.026376      5.445017      6.304044
  H      -2.972994      2.348460      2.970968
  H      -2.820635      1.154176      4.264219
  H      -2.105613      4.131747      4.303737
  H      -1.016655      2.753793      4.627769
  H      -2.362148      6.554394      7.025863
  H      -2.216942      6.046366      5.340783
  H      -1.923706      4.383516      7.885395
  H      -0.738657      4.579245      6.565064
  H      -2.951599      1.005755      8.639827
  H      -2.474339      2.665770      9.016835
  H      -2.373664      1.190987      6.331990
  H      -1.019114      1.974537      7.189638
  C      -5.455812      1.890161      3.765408
  C      -5.703259      0.446571      4.221818
  C      -7.012589     -0.138339      3.652002
  C      -7.166936      0.065078      2.170278
  N      -8.072292      0.956352      1.777720
  C      -8.171888      1.204858      0.446002
  N      -7.457162      0.680589     -0.531147
  C      -6.534974     -0.258425     -0.157428
  C      -5.742029     -0.882218     -1.152145
  C      -4.821196     -1.847660     -0.799673
  C      -4.661053     -2.231032      0.552503
  C      -5.415228     -1.632680      1.542175
  C      -6.359309     -0.627847      1.213127
  C      -4.811476      6.677047      6.203446
  C      -4.415297      7.607955      5.040505
  C      -4.418735      6.931984      3.668117
  C      -5.745357      6.905113      2.945126
  N      -6.666714      7.792832      3.291415
  C      -7.835965      7.791403      2.595857
  N      -8.179639      7.009190      1.594189
  C      -7.255456      6.069999      1.228642
  C      -7.562287      5.177417      0.172753
  C      -6.649817      4.217652     -0.213005
  C      -5.400384      4.111591      0.440852
  C      -5.072822      4.972192      1.469192
  C      -5.989151      5.970689      1.886736
  C      -5.123230      2.445247      9.136647
  C      -6.524179      2.979701      8.897333
  C      -7.280229      2.193863      7.796912
  C      -7.705250      3.053347      6.657618
  N      -6.678575      3.710197      6.019068
  C      -7.045107      4.459896      4.911269
  N      -8.230103      4.626671      4.407645
  C      -9.279927      3.991739      5.039254
  C     -10.577166      4.144756      4.525062
  C     -11.653693      3.506345      5.127769
  C     -11.434310      2.702583      6.264789
  C     -10.164717      2.535841      6.790979
  C      -9.038353      3.174327      6.195444
  H      -5.206276      1.899688      2.686421
  H      -6.395409      2.450676      3.862159
  H      -5.774083      0.440096      5.321907
  H      -4.844225     -0.187408      3.952632
  H      -7.070636     -1.211201      3.896046
  H      -7.866279      0.362202      4.130393
  H      -8.930631      1.941821      0.164665
  H      -5.892294     -0.582062     -2.190216
  H      -4.215253     -2.328798     -1.569510
  H      -3.938701     -3.007080      0.810670
  H      -5.292435     -1.938915      2.581399
  H      -5.873425      6.407181      6.125018
  H      -4.703699      7.256611      7.142878
  H      -3.410828      8.014544      5.230441
  H      -5.107231      8.462094      5.031829
  H      -3.705437      7.443010      2.996911
  H      -4.041631      5.901600      3.770528
  H      -8.570407      8.538031      2.914641
  H      -8.535656      5.272583     -0.310520
  H      -6.891484      3.522774     -1.018585
  H      -4.694933      3.339339      0.129276
  H      -4.108073      4.879193      1.967848
  H      -4.645223      3.027750      9.951762
  H      -5.180671      1.396918      9.500788
  H      -7.085687      2.941837      9.842009
  H      -6.453982      4.042376      8.611175
  H      -6.588898      1.426285      7.391313
  H      -8.133801      1.655976      8.222725
  H      -6.206552      4.933323      4.396739
  H     -10.703031      4.773917      3.642002
  H     -12.660736      3.623838      4.725705
  H     -12.279574      2.202221      6.741916
  H     -10.034406      1.912174      7.675622
95
Coordinates from ORCA-job orca E -6148.393193151311
  N      -4.416042      2.578691      4.512813
  Mo     -4.601034      3.535037      6.258288
  N      -4.290820      2.494707      7.934483
  C      -2.936721      2.034131      8.218073
  C      -2.098664      2.053605      6.949421
  N      -2.400665      3.282589      6.177079
  C      -2.057707      3.144713      4.740077
  C      -3.071556      2.236648      4.057402
  C      -1.824262      4.500644      6.794768
  C      -2.599554      5.727345      6.336677
  N      -4.037767      5.448694      6.308404
  H      -2.983493      2.371600      2.961139
  H      -2.825011      1.171522      4.248342
  H      -2.116885      4.150239      4.299978
  H      -1.024105      2.773444      4.615887
  H      -2.375868      6.560840      7.030860
  H      -2.232405      6.058418      5.343991
  H      -1.929123      4.387165      7.881966
  H      -0.747571      4.591806      6.559833
  H      -2.944671      1.003074      8.623427
  H      -2.470072      2.662458      9.006648
  H      -2.373222      1.200216      6.315225
  H      -1.018605      1.983369      7.173249
  C      -5.462910      1.899671      3.761244
  C      -5.701712      0.452736      4.211446
  C      -7.012854     -0.132917      3.646974
  C      -7.174704      0.074532      2.166585
  N      -8.085427      0.963158      1.780668
  C      -8.192457      1.214499      0.449983
  N      -7.480604      0.695041     -0.531844
  C      -6.553209     -0.241470     -0.164750
  C      -5.762912     -0.860261     -1.164693
  C      -4.836788     -1.823057     -0.818839
  C      -4.668608     -2.208696      0.531713
  C      -5.420235     -1.615299      1.526309
  C      -6.369617     -0.613425      1.204027
  C      -4.827485      6.676976      6.204751
  C      -4.430675      7.609137      5.043159
  C      -4.414681      6.927890      3.673738
  C      -5.734835      6.880536      2.940863
  N      -6.671239      7.756407      3.276693
  C      -7.835189      7.734627      2.572945
  N      -8.160227      6.942452      1.573074
  C      -7.220155      6.015024      1.218440
  C      -7.506934      5.112485      0.165428
  C      -6.577983      4.164056     -0.208995
  C      -5.331422      4.080157      0.453617
  C      -5.023481      4.950967      1.479370
  C      -5.957238      5.937797      1.885422
  C      -5.118291      2.434086      9.132778
  C      -6.520447      2.973537      8.906913
  C      -7.290954      2.196507      7.810562
  C      -7.712798      3.057086      6.670643
  N      -6.686391      3.713994      6.031781
  C      -7.055910      4.475883      4.932694
  N      -8.242150      4.648609      4.434484
  C      -9.290652      4.008124      5.062629
  C     -10.589044      4.166188      4.553155
  C     -11.664590      3.524652      5.154339
  C     -11.443039      2.713216      6.285495
  C     -10.172232      2.541921      6.807258
  C      -9.046881      3.182650      6.212386
  H      -5.217991      1.915205      2.681286
  H      -6.404930      2.454972      3.864631
  H      -5.765009      0.439803      5.311885
  H      -4.842705     -0.177150      3.932773
  H      -7.067576     -1.206675      3.887996
  H      -7.865022      0.364478      4.131356
  H      -8.955487      1.948944      0.173907
  H      -5.919300     -0.558369     -2.201353
  H      -4.232810     -2.300204     -1.592673
  H      -3.942080     -2.982527      0.784736
  H      -5.291099     -1.923111      2.564322
  H      -5.887655      6.401881      6.120741
  H      -4.726934      7.257097      7.144552
  H      -3.432147      8.026684      5.240398
  H      -5.131221      8.456053      5.026282
  H      -3.702218      7.445014      3.006306
  H      -4.025622      5.902610      3.783500
  H      -8.582510      8.472275      2.882607
  H      -8.478391      5.190852     -0.324652
  H      -6.804158      3.461256     -1.012185
  H      -4.612477      3.316962      0.150738
  H      -4.060603      4.875041      1.984466
  H      -4.635941      3.008806      9.950789
  H      -5.175927      1.382854      9.488027
  H      -7.074192      2.932305      9.856067
  H      -6.449409      4.037635      8.626373
  H      -6.611481      1.418837      7.403715
  H      -8.149676      1.670929      8.241805
  H      -6.219613      4.957105      4.422029
  H     -10.716548      4.802162      3.675206
  H     -12.672621      3.646064      4.755966
  H     -12.287582      2.210712      6.761636
  H     -10.039692      1.912596      7.687526
95
Coordinates from ORCA-job orca E -6148.393195385524
  N      -4.397811      2.574514      4.511878
  Mo     -4.592835      3.531350      6.255526
  N      -4.289734      2.493291      7.934568
  C      -2.935938      2.036341      8.225781
  C      -2.091314      2.055969      6.961547
  N      -2.392075      3.282744      6.185231
  C      -2.041363      3.142161      4.750398
  C      -3.051019      2.232128      4.064118
  C      -1.821141      4.503360      6.802642
  C      -2.597260      5.727690      6.339698
  N      -4.034714      5.446083      6.306933
  H      -2.957452      2.365167      2.968098
  H      -2.804875      1.167578      4.258241
  H      -2.098527      4.146651      4.307624
  H      -1.006901      2.771160      4.632609
  H      -2.377721      6.562451      7.033713
  H      -2.227268      6.058406      5.348049
  H      -1.929653      4.391473      7.889637
  H      -0.743782      4.596826      6.571610
  H      -2.943670      1.006026      8.632978
  H      -2.474799      2.666991      9.015652
  H      -2.360414      1.200805      6.327411
  H      -1.012271      1.988623      7.191133
  C      -5.441088      1.895301      3.755477
  C      -5.685238      0.449367      4.206594
  C      -7.001295     -0.128848      3.645940
  C      -7.163506      0.075856      2.165348
  N      -8.062850      0.975491      1.778473
  C      -8.169106      1.224228      0.447196
  N      -7.466450      0.692026     -0.534369
  C      -6.550475     -0.255216     -0.166135
  C      -5.770232     -0.887266     -1.165696
  C      -4.855506     -1.860369     -0.818509
  C      -4.689120     -2.243460      0.533014
  C      -5.431149     -1.637458      1.527195
  C      -6.368750     -0.625018      1.203510
  C      -4.827810      6.672575      6.206667
  C      -4.438182      7.608866      5.045529
  C      -4.426550      6.932125      3.673890
  C      -5.750860      6.882820      2.948717
  N      -6.690012      7.750788      3.297315
  C      -7.859171      7.726489      2.602354
  N      -8.187450      6.938212      1.600501
  C      -7.244450      6.018909      1.232475
  C      -7.534341      5.120820      0.176497
  C      -6.601771      4.181990     -0.212898
  C      -5.347955      4.104375      0.436557
  C      -5.037347      4.970256      1.465670
  C      -5.975250      5.946232      1.888071
  C      -5.121756      2.434541      9.129946
  C      -6.524472      2.971256      8.900098
  C      -7.292731      2.194116      7.802515
  C      -7.710875      3.056390      6.662980
  N      -6.680721      3.709640      6.027279
  C      -7.045062      4.478635      4.931591
  N      -8.229623      4.657565      4.431496
  C      -9.281831      4.017661      5.054544
  C     -10.578440      4.181667      4.542428
  C     -11.657567      3.541717      5.138861
  C     -11.441352      2.725813      6.267892
  C     -10.172452      2.548620      6.792239
  C      -9.043483      3.187447      6.202129
  H      -5.190482      1.908534      2.676837
  H      -6.382997      2.451820      3.852814
  H      -5.745520      0.436727      5.307256
  H      -4.830538     -0.184973      3.924950
  H      -7.063688     -1.201456      3.890237
  H      -7.848899      0.376430      4.130062
  H      -8.922799      1.967948      0.170238
  H      -5.925020     -0.586921     -2.203051
  H      -4.259243     -2.347637     -1.592036
  H      -3.971689     -3.025398      0.787120
  H      -5.303396     -1.943230      2.566028
  H      -5.887554      6.394847      6.125310
  H      -4.726268      7.251440      7.147179
  H      -3.440326      8.029065      5.239870
  H      -5.141465      8.453603      5.033704
  H      -3.719551      7.454186      3.004375
  H      -4.033732      5.907824      3.777870
  H      -8.608329      8.457846      2.922365
  H      -8.510905      5.195066     -0.304006
  H      -6.830676      3.482388     -1.018209
  H      -4.625277      3.349981      0.120774
  H      -4.068739      4.899149      1.960236
  H      -4.643396      3.012281      9.947998
  H      -5.178313      1.384092      9.487903
  H      -7.079810      2.929206      9.848245
  H      -6.454749      4.035637      8.620122
  H      -6.613704      1.415035      7.397409
  H      -8.153494      1.670326      8.231720
  H      -6.205365      4.956655      4.423660
  H     -10.701588      4.821049      3.666342
  H     -12.664264      3.667725      4.738541
  H     -12.288752      2.224485      6.740214
  H     -10.044065      1.915843      7.670700
95
Coordinates from ORCA-job orca E -6148.393217329882
  N      -4.396657      2.586097      4.512790
  Mo     -4.593797      3.537462      6.258934
  N      -4.286962      2.497145      7.936121
  C      -2.931696      2.043865      8.225906
  C      -2.088063      2.067912      6.961117
  N      -2.392559      3.295406      6.187450
  C      -2.041610      3.158872      4.752213
  C      -3.049120      2.247708      4.064151
  C      -1.824938      4.516235      6.807611
  C      -2.604697      5.739213      6.347527
  N      -4.041321      5.453447      6.314355
  H      -2.956013      2.383085      2.968377
  H      -2.800458      1.183378      4.256392
  H      -2.101265      4.164137      4.311536
  H      -1.006243      2.790666      4.633655
  H      -2.387383      6.573307      7.043047
  H      -2.236058      6.072952      5.356349
  H      -1.932602      4.401585      7.894408
  H      -0.747961      4.613390      6.576299
  H      -2.936031      1.012865      8.631455
  H      -2.471847      2.674637      9.016482
  H      -2.355431      1.213245      6.325550
  H      -1.008697      2.002892      7.189854
  C      -5.438977      1.906544      3.755330
  C      -5.681255      0.459205      4.203655
  C      -7.004003     -0.114725      3.654306
  C      -7.178733      0.090719      2.175221
  N      -8.077230      0.994574      1.796305
  C      -8.195353      1.242524      0.465854
  N      -7.505723      0.705082     -0.522090
  C      -6.590581     -0.245993     -0.161863
  C      -5.823654     -0.883246     -1.168424
  C      -4.909736     -1.859871     -0.829127
  C      -4.731080     -2.241561      0.521225
  C      -5.460187     -1.630774      1.522008
  C      -6.396529     -0.614615      1.206402
  C      -4.837457      6.677588      6.211622
  C      -4.444564      7.614984      5.052468
  C      -4.418732      6.936022      3.682122
  C      -5.736250      6.880037      2.945280
  N      -6.681734      7.745671      3.282204
  C      -7.844372      7.714431      2.576598
  N      -8.160804      6.920713      1.575262
  C      -7.211047      6.003735      1.219115
  C      -7.488332      5.099768      0.164778
  C      -6.548631      4.163171     -0.212714
  C      -5.299903      4.093908      0.447405
  C      -5.001677      4.965402      1.475444
  C      -5.947288      5.939037      1.885831
  C      -5.118520      2.434120      9.131373
  C      -6.523281      2.965425      8.901551
  C      -7.287275      2.186764      7.802132
  C      -7.707680      3.047785      6.662200
  N      -6.680647      3.708147      6.028511
  C      -7.048438      4.474696      4.932063
  N      -8.233173      4.645305      4.429606
  C      -9.282059      3.998064      5.050405
  C     -10.578656      4.152494      4.535311
  C     -11.654398      3.504768      5.129421
  C     -11.434801      2.690639      6.259076
  C     -10.165819      2.522790      6.786271
  C      -9.040233      3.169786      6.198561
  H      -5.188867      1.922218      2.676614
  H      -6.381561      2.461623      3.854065
  H      -5.730943      0.442887      5.304830
  H      -4.830876     -0.176073      3.911258
  H      -7.067352     -1.187224      3.898690
  H      -7.845709      0.392903      4.146244
  H      -8.947669      1.990045      0.195528
  H      -5.987730     -0.583788     -2.204605
  H      -4.323672     -2.351008     -1.607982
  H      -4.014485     -3.026225      0.769195
  H      -5.323124     -1.935559      2.559932
  H      -5.895958      6.396848      6.125227
  H      -4.741769      7.256462      7.152726
  H      -3.450361      8.040717      5.253602
  H      -5.152279      8.455891      5.034491
  H      -3.707564      7.459144      3.017907
  H      -4.023478      5.913178      3.791472
  H      -8.598972      8.444445      2.886720
  H      -8.461161      5.167819     -0.324155
  H      -6.768334      3.458853     -1.016479
  H      -4.571092      3.341646      0.140771
  H      -4.036997      4.900282      1.978504
  H      -4.642703      3.013171      9.950024
  H      -5.171112      1.383095      9.488212
  H      -7.079089      2.919253      9.849244
  H      -6.457805      4.030539      8.623454
  H      -6.604825      1.410563      7.397288
  H      -8.146557      1.659271      8.229831
  H      -6.211414      4.959588      4.426197
  H     -10.704469      4.790768      3.658791
  H     -12.661078      3.623260      4.726768
  H     -12.279614      2.183210      6.729511
  H     -10.034573      1.891105      7.665082
95
Coordinates from ORCA-job orca E -6148.393223722201
  N      -4.389421      2.591823      4.513784
  Mo     -4.591896      3.539837      6.260971
  N      -4.285471      2.499082      7.938027
  C      -2.929465      2.049067      8.229692
  C      -2.084062      2.075813      6.966176
  N      -2.390232      3.303172      6.192946
  C      -2.036039      3.168499      4.758288
  C      -3.040497      2.255920      4.067628
  C      -1.826639      4.524832      6.815044
  C      -2.608580      5.746177      6.354586
  N      -4.044439      5.457052      6.319030
  H      -2.945503      2.392023      2.972116
  H      -2.790277      1.191939      4.259947
  H      -2.096527      4.173903      4.318069
  H      -0.999764      2.802212      4.641719
  H      -2.394230      6.580329      7.050971
  H      -2.239342      6.081570      5.364168
  H      -1.935490      4.409057      7.901601
  H      -0.749566      4.624924      6.585347
  H      -2.932008      1.017925      8.634905
  H      -2.472344      2.680632      9.021228
  H      -2.348501      1.220939      6.329655
  H      -1.004897      2.013098      7.196502
  C      -5.429416      1.911786      3.753507
  C      -5.671573      0.463531      4.200048
  C      -7.000141     -0.106144      3.660144
  C      -7.184071      0.099428      2.182227
  N      -8.079581      1.008505      1.808907
  C      -8.206178      1.255532      0.479026
  N      -7.527947      0.711880     -0.513397
  C      -6.615899     -0.244242     -0.158778
  C      -5.860891     -0.887869     -1.170305
  C      -4.949945     -1.869144     -0.836524
  C      -4.762633     -2.249388      0.513068
  C      -5.480305     -1.632733      1.518494
  C      -6.413275     -0.611745      1.208530
  C      -4.842828      6.679527      6.215098
  C      -4.449227      7.617838      5.056691
  C      -4.417130      6.938055      3.686840
  C      -5.731638      6.880444      2.944662
  N      -6.679464      7.745218      3.277130
  C      -7.839473      7.711810      2.567202
  N      -8.151590      6.915952      1.566250
  C      -7.199372      5.999786      1.214594
  C      -7.472198      5.093346      0.161230
  C      -6.529749      4.157857     -0.212174
  C      -5.282551      4.092410      0.451158
  C      -4.988812      4.966047      1.478708
  C      -5.937489      5.938291      1.885174
  C      -5.118118      2.434896      9.132236
  C      -6.523824      2.962444      8.900150
  C      -7.283471      2.182272      7.798861
  C      -7.704201      3.042610      6.658408
  N      -6.678035      3.705587      6.026093
  C      -7.046131      4.470546      4.928678
  N      -8.230393      4.637425      4.423934
  C      -9.278351      3.986535      5.042535
  C     -10.574174      4.135831      4.524083
  C     -11.648956      3.484185      5.115644
  C     -11.429051      2.671270      6.246100
  C     -10.160791      2.508491      6.776601
  C      -9.036153      3.159609      6.191580
  H      -5.177096      1.928193      2.675338
  H      -6.372528      2.466283      3.850501
  H      -5.712124      0.444187      5.301584
  H      -4.825688     -0.173309      3.898128
  H      -7.065019     -1.178377      3.905189
  H      -7.836833      0.404183      4.157726
  H      -8.955167      2.008043      0.213414
  H      -6.031444     -0.589246     -2.205679
  H      -4.372982     -2.365064     -1.619138
  H      -4.048446     -3.037570      0.756782
  H      -5.336618     -1.936407      2.555853
  H      -5.900657      6.397086      6.126553
  H      -4.750044      7.258444      7.156464
  H      -3.456957      8.046668      5.260856
  H      -5.159485      8.456514      5.035921
  H      -3.703610      7.461120      3.025131
  H      -4.021875      5.915446      3.798516
  H      -8.595732      8.441839      2.873206
  H      -8.443901      5.158701     -0.330309
  H      -6.746695      3.451615     -1.014995
  H      -4.551071      3.341557      0.147400
  H      -4.025335      4.903417      1.984424
  H      -4.645160      3.015998      9.951135
  H      -5.168496      1.383996      9.489792
  H      -7.080967      2.913722      9.846952
  H      -6.461076      4.027985      8.623169
  H      -6.598529      1.407627      7.395233
  H      -8.142322      1.652606      8.224705
  H      -6.209737      4.958806      4.424961
  H     -10.700108      4.773242      3.646948
  H     -12.655056      3.598553      4.710366
  H     -12.273129      2.160697      6.714455
  H     -10.029309      1.877464      7.655839
95
Coordinates from ORCA-job orca E -6148.393224895661
  N      -4.386003      2.592187      4.514607
  Mo     -4.591361      3.539529      6.261905
  N      -4.285641      2.499603      7.939536
  C      -2.929445      2.050802      8.232457
  C      -2.082930      2.077985      6.969693
  N      -2.389486      3.304995      6.196035
  C      -2.033390      3.170484      4.761824
  C      -3.036366      2.257103      4.070142
  C      -1.827684      4.527260      6.818532
  C      -2.610257      5.747742      6.356895
  N      -4.045819      5.457345      6.319929
  H      -2.940203      2.392946      2.974701
  H      -2.785566      1.193333      4.263079
  H      -2.093992      4.175764      4.321366
  H      -0.996720      2.804893      4.646635
  H      -2.397335      6.582286      7.053260
  H      -2.240325      6.083262      5.366770
  H      -1.937528      4.411658      7.905008
  H      -0.750459      4.628323      6.589946
  H      -2.931574      1.019813      8.638052
  H      -2.473590      2.682992      9.024226
  H      -2.346001      1.222737      6.333111
  H      -1.003921      2.016310      7.201022
  C      -5.424448      1.911399      3.752955
  C      -5.665789      0.462607      4.198836
  C      -6.996238     -0.106161      3.662546
  C      -7.183910      0.101118      2.185382
  N      -8.078198      1.012777      1.815543
  C      -8.207913      1.261564      0.486281
  N      -7.534048      0.717044     -0.508628
  C      -6.623236     -0.241567     -0.157576
  C      -5.872745     -0.885996     -1.171960
  C      -4.962936     -1.869540     -0.841800
  C      -4.772342     -2.251339      0.506895
  C      -5.485667     -1.634042      1.515009
  C      -6.417372     -0.610755      1.208788
  C      -4.844931      6.679246      6.215283
  C      -4.451534      7.617530      5.056670
  C      -4.417729      6.937211      3.687073
  C      -5.731549      6.879025      2.943594
  N      -6.680445      7.742718      3.275787
  C      -7.839948      7.708619      2.565015
  N      -8.150782      6.912694      1.563725
  C      -7.197373      5.997727      1.212174
  C      -7.468664      5.091490      0.158253
  C      -6.524892      4.157395     -0.215324
  C      -5.277923      4.093147      0.448475
  C      -4.985703      4.966550      1.476698
  C      -5.935727      5.937360      1.883326
  C      -5.118610      2.436524      9.133519
  C      -6.524423      2.963331      8.900426
  C      -7.283249      2.182066      7.799340
  C      -7.703517      3.041466      6.657990
  N      -6.677169      3.703666      6.025245
  C      -7.044739      4.467397      4.926859
  N      -8.228767      4.633674      4.421362
  C      -9.276957      3.983285      5.040168
  C     -10.572445      4.131795      4.520708
  C     -11.647525      3.480634      5.112282
  C     -11.428154      2.669045      6.243776
  C     -10.160207      2.507113      6.775302
  C      -9.035265      3.157717      6.190299
  H      -5.170613      1.927756      2.675153
  H      -6.368006      2.465373      3.848461
  H      -5.702240      0.441522      5.300486
  H      -4.821593     -0.174301      3.892319
  H      -7.060480     -1.178613      3.906748
  H      -7.831520      0.403764      4.162833
  H      -8.955653      2.016344      0.223623
  H      -6.045772     -0.586061     -2.206544
  H      -4.389451     -2.366065     -1.626584
  H      -4.059057     -3.041198      0.747792
  H      -5.339462     -1.938921      2.551664
  H      -5.902615      6.396327      6.126520
  H      -4.752826      7.258514      7.156499
  H      -3.459961      8.047675      5.261452
  H      -5.162843      8.455278      5.034840
  H      -3.703714      7.460181      3.025841
  H      -4.022380      5.914704      3.799503
  H      -8.596982      8.437959      2.870741
  H      -8.440270      5.155891     -0.333597
  H      -6.741034      3.451430     -1.018588
  H      -4.545312      3.343408      0.144661
  H      -4.022410      4.904632      1.982870
  H      -4.646170      3.018724      9.951969
  H      -5.168815      1.386044      9.492347
  H      -7.081763      2.914756      9.847142
  H      -6.462232      4.028765      8.622965
  H      -6.598175      1.406982      7.396847
  H      -8.142387      1.652837      8.225188
  H      -6.208038      4.954676      4.422707
  H     -10.697873      4.768165      3.642747
  H     -12.653383      3.594317      4.706217
  H     -12.272430      2.158794      6.712126
  H     -10.029286      1.876974      7.655260
95
Coordinates from ORCA-job orca E -6148.393226062046
  N      -4.383975      2.593441      4.515437
  Mo     -4.590271      3.540607      6.262909
  N      -4.285882      2.501178      7.940924
  C      -2.929946      2.052129      8.234923
  C      -2.082580      2.078615      6.972715
  N      -2.388403      3.305349      6.198316
  C      -2.031124      3.170142      4.764477
  C      -3.034177      2.257318      4.072276
  C      -1.826576      4.527735      6.820536
  C      -2.608445      5.748185      6.357629
  N      -4.044120      5.458405      6.320070
  H      -2.937048      2.392657      2.976862
  H      -2.784272      1.193428      4.265817
  H      -2.090600      4.175296      4.323630
  H      -0.994610      2.803785      4.650369
  H      -2.395582      6.583105      7.053564
  H      -2.237862      6.082972      5.367497
  H      -1.937145      4.412840      7.907007
  H      -0.749164      4.628280      6.592588
  H      -2.932784      1.021299      8.640892
  H      -2.474594      2.684477      9.026844
  H      -2.345317      1.223125      6.336331
  H      -1.003737      2.016907      7.204804
  C      -5.421744      1.912509      3.753016
  C      -5.662475      0.463299      4.198519
  C      -6.993870     -0.105842      3.664751
  C      -7.183660      0.101660      2.187883
  N      -8.078108      1.013684      1.819421
  C      -8.209629      1.262699      0.490366
  N      -7.537634      0.717763     -0.505571
  C      -6.626882     -0.241415     -0.155933
  C      -5.878385     -0.886270     -1.171523
  C      -4.968561     -1.870296     -0.842838
  C      -4.775963     -2.252130      0.505564
  C      -5.487357     -1.634441      1.514799
  C      -6.419052     -0.610688      1.210094
  C      -4.842355      6.680782      6.214927
  C      -4.449093      7.617832      5.055206
  C      -4.416968      6.936239      3.686190
  C      -5.731388      6.879534      2.943580
  N      -6.679038      7.744371      3.276284
  C      -7.839114      7.711583      2.566347
  N      -8.151700      6.915738      1.565551
  C      -7.199602      5.999590      1.213484
  C      -7.472792      5.093362      0.160063
  C      -6.530394      4.158064     -0.214027
  C      -5.282971      4.092595      0.448742
  C      -4.988895      4.966003      1.476474
  C      -5.937476      5.937953      1.883615
  C      -5.119969      2.438139      9.134095
  C      -6.526166      2.963340      8.899331
  C      -7.282856      2.181170      7.797323
  C      -7.702770      3.040324      6.655631
  N      -6.676650      3.704446      6.024616
  C      -7.043866      4.469113      4.926807
  N      -8.227502      4.634394      4.420071
  C      -9.275471      3.981527      5.036710
  C     -10.570461      4.128858      4.515709
  C     -11.645472      3.475675      5.105192
  C     -11.426465      2.663355      6.236217
  C     -10.159001      2.502642      6.769283
  C      -9.034110      3.155160      6.186353
  H      -5.166873      1.928557      2.675453
  H      -6.365449      2.466445      3.847426
  H      -5.695853      0.440971      5.300217
  H      -4.819389     -0.173480      3.888609
  H      -7.056831     -1.178373      3.908876
  H      -7.828806      0.403310      4.166383
  H      -8.957178      2.018082      0.228942
  H      -6.052963     -0.586248     -2.205820
  H      -4.396629     -2.367167     -1.628533
  H      -4.062636     -3.042277      0.745370
  H      -5.339534     -1.939294      2.551242
  H      -5.900378      6.398817      6.127139
  H      -4.749130      7.260757      7.155593
  H      -3.457117      8.047541      5.258931
  H      -5.159982      8.455918      5.032988
  H      -3.702493      7.457337      3.024000
  H      -4.023257      5.913157      3.799370
  H      -8.594972      8.441968      2.872472
  H      -8.444783      5.158654     -0.330905
  H      -6.748475      3.452116     -1.016761
  H      -4.551494      3.341843      0.144696
  H      -4.025294      4.902987      1.981940
  H      -4.648887      3.021110      9.952806
  H      -5.169686      1.387827      9.493477
  H      -7.084319      2.913832      9.845545
  H      -6.465175      4.028911      8.622164
  H      -6.596713      1.406615      7.395678
  H      -8.142086      1.651301      8.222225
  H      -6.207252      4.958952      4.424953
  H     -10.695530      4.765989      3.638250
  H     -12.650954      3.588418      4.697943
  H     -12.270657      2.151538      6.703009
  H     -10.028554      1.871814      7.648813
95
Coordinates from ORCA-job orca E -6148.393226583315
  N      -4.384496      2.592226      4.515819
  Mo     -4.591005      3.539690      6.263235
  N      -4.286182      2.500805      7.941422
  C      -2.930147      2.051943      8.235265
  C      -2.082894      2.078543      6.972982
  N      -2.389057      3.305158      6.198501
  C      -2.031828      3.169936      4.764648
  C      -3.034549      2.256538      4.072715
  C      -1.827582      4.527779      6.820656
  C      -2.609760      5.747967      6.357495
  N      -4.045338      5.457697      6.319802
  H      -2.937535      2.391564      2.977248
  H      -2.784151      1.192821      4.266524
  H      -2.091797      4.175027      4.323723
  H      -0.995162      2.804029      4.650502
  H      -2.397246      6.583098      7.053288
  H      -2.239144      6.082682      5.367355
  H      -1.938312      4.413032      7.907125
  H      -0.750156      4.628528      6.592871
  H      -2.932784      1.021133      8.641282
  H      -2.474770      2.684375      9.027092
  H      -2.345496      1.222950      6.336678
  H      -1.004024      2.017103      7.205014
  C      -5.421929      1.910584      3.753540
  C      -5.661640      0.461230      4.198960
  C      -6.992512     -0.108780      3.664876
  C      -7.182749      0.100380      2.188303
  N      -8.077466      1.012730      1.821292
  C      -8.209217      1.263667      0.492620
  N      -7.537167      0.720402     -0.504185
  C      -6.626109     -0.239038     -0.156068
  C      -5.877561     -0.882179     -1.172707
  C      -4.967449     -1.866465     -0.845607
  C      -4.774603     -2.250263      0.502201
  C      -5.486013     -1.634242      1.512442
  C      -6.418003     -0.610264      1.209392
  C      -4.843984      6.679763      6.214029
  C      -4.450688      7.616777      5.054331
  C      -4.417735      6.935076      3.685404
  C      -5.731886      6.877655      2.942379
  N      -6.680483      7.741357      3.275350
  C      -7.840332      7.707808      2.565118
  N      -8.151741      6.912415      1.563590
  C      -7.198582      5.997530      1.211130
  C      -7.470386      5.091950      0.156798
  C      -6.526935      4.157802     -0.217559
  C      -5.279841      4.092848      0.445871
  C      -4.987087      4.965715      1.474435
  C      -5.936715      5.936541      1.881787
  C      -5.119975      2.438138      9.134853
  C      -6.525946      2.964218      8.900546
  C      -7.283618      2.182160      7.799126
  C      -7.703393      3.041015      6.657216
  N      -6.676935      3.703581      6.025129
  C      -7.043967      4.467603      4.926797
  N      -8.227739      4.633638      4.420593
  C      -9.276082      3.982665      5.038599
  C     -10.571243      4.131042      4.518336
  C     -11.646627      3.479639      5.109132
  C     -11.427788      2.668026      6.240692
  C     -10.160129      2.506251      6.772999
  C      -9.034910      3.156981      6.188759
  H      -5.167098      1.926801      2.675956
  H      -6.365973      2.463901      3.847884
  H      -5.695071      0.438671      5.300640
  H      -4.818085     -0.174862      3.888935
  H      -7.054211     -1.181656      3.907832
  H      -7.827966      0.398867      4.167172
  H      -8.956974      2.019269      0.232416
  H      -6.052353     -0.580653     -2.206528
  H      -4.395479     -2.362024     -1.632103
  H      -4.061083     -3.040618      0.740749
  H      -5.338040     -1.940656      2.548403
  H      -5.901888      6.397364      6.125941
  H      -4.751321      7.259926      7.154639
  H      -3.459026      8.047058      5.258362
  H      -5.161981      8.454506      5.031679
  H      -3.703351      7.456556      3.023408
  H      -4.023456      5.912234      3.798725
  H      -8.597066      8.437159      2.871548
  H      -8.442154      5.156768     -0.334673
  H      -6.743936      3.452372     -1.021046
  H      -4.547576      3.342914      0.141711
  H      -4.023717      4.903173      1.980395
  H      -4.648261      3.020895      9.953330
  H      -5.170101      1.387886      9.494353
  H      -7.083814      2.915417      9.846948
  H      -6.464315      4.029635      8.622944
  H      -6.597904      1.407244      7.397395
  H      -8.142901      1.652805      8.224537
  H      -6.207154      4.955549      4.423500
  H     -10.696182      4.767566      3.640419
  H     -12.652252      3.593231      4.702473
  H     -12.272242      2.157618      6.708549
  H     -10.029897      1.876028      7.653000
