98
Coordinates from ORCA-job orca E -6204.232132143369
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
  H      -2.635776      3.340637      2.461837
  H      -1.336392      3.603908      3.466180
98
Coordinates from ORCA-job orca E -6204.249516245606
  N      -2.943710      1.409037      5.173941
  Mo     -3.621827      3.345880      5.132498
  N      -4.492951      3.053209      6.884410
  C      -3.622405      3.113996      8.050323
  C      -2.240677      2.552507      7.691488
  N      -1.753044      3.180914      6.440744
  C      -0.782318      2.309284      5.741722
  C      -1.537855      1.182910      4.980340
  C      -1.197901      4.527385      6.706755
  C      -1.722585      5.481429      5.619889
  N      -3.143126      5.231308      5.472837
  H      -1.270296      1.217717      3.905381
  H      -1.246379      0.188538      5.364546
  H      -0.238535      2.925758      5.017696
  H      -0.054803      1.898216      6.460927
  H      -1.507720      6.521852      5.905989
  H      -1.207024      5.279706      4.663853
  H      -1.577559      4.879921      7.674342
  H      -0.097792      4.507469      6.748305
  H      -4.028555      2.518120      8.886370
  H      -3.526774      4.158859      8.410789
  H      -2.350461      1.479039      7.505862
  H      -1.520344      2.708243      8.512026
  C      -3.915758      1.107138      4.206032
  C      -4.883393     -0.047219      4.523499
  C      -6.300421      0.187604      3.948308
  C      -6.272234      0.592432      2.497935
  N      -6.230137      1.909090      2.255542
  C      -6.163809      2.302363      0.967019
  N      -6.158880      1.543009     -0.106702
  C      -6.211927      0.192922      0.104380
  C      -6.207896     -0.677878     -1.004269
  C      -6.242354     -2.046096     -0.811411
  C      -6.279330     -2.582615      0.489316
  C      -6.287696     -1.754405      1.593374
  C      -6.260446     -0.347553      1.432215
  C      -4.000496      6.322145      5.890743
  C      -3.916241      7.554375      4.971373
  C      -4.177003      7.211120      3.501071
  C      -5.585711      6.779848      3.179355
  N      -6.521684      6.889555      4.124732
  C      -7.751147      6.424315      3.841475
  N      -8.167426      5.859037      2.726788
  C      -7.260760      5.810389      1.706591
  C      -7.660980      5.300029      0.453941
  C      -6.765659      5.267300     -0.598766
  C      -5.446982      5.726617     -0.427800
  C      -5.024749      6.219646      0.792087
  C      -5.919518      6.279636      1.885018
  C      -5.874523      2.745835      7.184534
  C      -6.741073      3.962675      7.571901
  C      -8.236189      3.629050      7.611969
  C      -8.875648      3.348406      6.271571
  N      -8.130943      3.432089      5.180687
  C      -8.701525      3.146662      3.985142
  N      -9.936432      2.752137      3.775953
  C     -10.747634      2.685477      4.871728
  C     -12.099803      2.305909      4.708099
  C     -12.937156      2.242637      5.800571
  C     -12.457599      2.550923      7.090808
  C     -11.142865      2.917064      7.281226
  C     -10.256435      2.992696      6.179987
  H      -3.523611      1.010157      3.174170
  H      -4.595129      2.045255      4.258277
  H      -4.953242     -0.156564      5.613938
  H      -4.467967     -0.976009      4.108563
  H      -6.902938     -0.720564      4.078733
  H      -6.786763      0.999859      4.505123
  H      -6.114045      3.382242      0.805439
  H      -6.174872     -0.237924     -1.999431
  H      -6.239995     -2.715366     -1.670700
  H      -6.302877     -3.663153      0.625595
  H      -6.316867     -2.181998      2.594329
  H      -5.036517      5.967803      5.878326
  H      -3.760633      6.646046      6.925071
  H      -2.917836      8.007681      5.044823
  H      -4.653474      8.290728      5.317009
  H      -3.936766      8.086071      2.875221
  H      -3.489986      6.404206      3.198267
  H      -8.490301      6.517952      4.643220
  H      -8.684875      4.945506      0.346938
  H      -7.080653      4.876463     -1.565133
  H      -4.751710      5.689866     -1.265381
  H      -4.001669      6.572034      0.912253
  H      -5.932721      2.005168      8.007636
  H      -6.330829      2.293135      6.294631
  H      -6.435546      4.327881      8.562606
  H      -6.562642      4.765146      6.845137
  H      -8.399530      2.752207      8.259187
  H      -8.780980      4.467918      8.072428
  H      -8.046466      3.232244      3.118221
  H     -12.445296      2.078497      3.700946
  H     -13.979766      1.955056      5.670301
  H     -13.135519      2.497942      7.941780
  H     -10.780327      3.155253      8.279860
  N      -2.387897      3.503035      3.405534
  H      -2.705679      3.425509      2.437914
  H      -1.382439      3.664818      3.393576
98
Coordinates from ORCA-job orca E -6204.254097266640
  N      -2.909870      1.343650      5.183984
  Mo     -3.590324      3.288961      5.137736
  N      -4.441974      3.023175      6.920176
  C      -3.544668      3.093781      8.076479
  C      -2.165989      2.523553      7.708507
  N      -1.684123      3.142273      6.437340
  C      -0.726608      2.257685      5.719675
  C      -1.501196      1.128824      4.973079
  C      -1.134052      4.503786      6.680025
  C      -1.688123      5.452865      5.599855
  N      -3.112379      5.193680      5.479233
  H      -1.247416      1.165344      3.893767
  H      -1.201774      0.133746      5.357815
  H      -0.192551      2.874016      4.984350
  H       0.017285      1.851408      6.430085
  H      -1.476169      6.497468      5.887462
  H      -1.187794      5.263308      4.628805
  H      -1.502275      4.855931      7.655520
  H      -0.029140      4.487545      6.708233
  H      -3.943303      2.508731      8.927366
  H      -3.434247      4.143573      8.428699
  H      -2.275425      1.446194      7.533123
  H      -1.432004      2.687874      8.520499
  C      -3.902904      1.028931      4.228706
  C      -4.864856     -0.127038      4.582237
  C      -6.301247      0.052924      4.033253
  C      -6.303316      0.400315      2.569952
  N      -6.292885      1.698432      2.266886
  C      -6.229550      2.030170      0.948928
  N      -6.209840      1.213987     -0.096194
  C      -6.238454     -0.124989      0.188780
  C      -6.218619     -1.062240     -0.875033
  C      -6.224005     -2.420556     -0.605980
  C      -6.246841     -2.888848      0.730665
  C      -6.270136     -1.996471      1.788517
  C      -6.273561     -0.595853      1.546430
  C      -3.987301      6.263417      5.937320
  C      -3.959356      7.523314      5.054640
  C      -4.276684      7.278782      3.573530
  C      -5.698859      6.877147      3.259200
  N      -6.601684      6.888622      4.236414
  C      -7.863017      6.468821      3.940342
  N      -8.327889      6.050836      2.773366
  C      -7.448035      6.119211      1.727058
  C      -7.900302      5.793648      0.422277
  C      -7.037278      5.888560     -0.655525
  C      -5.692593      6.291159     -0.465960
  C      -5.222155      6.603870      0.798886
  C      -6.086595      6.533773      1.922198
  C      -5.836820      2.730790      7.206059
  C      -6.696688      3.953125      7.584032
  C      -8.193574      3.632125      7.574551
  C      -8.773983      3.399178      6.195349
  N      -7.974904      3.533168      5.146914
  C      -8.489919      3.304480      3.903198
  N      -9.723799      2.919619      3.612298
  C     -10.583587      2.801310      4.672809
  C     -11.932625      2.429657      4.431497
  C     -12.822257      2.316948      5.484379
  C     -12.401025      2.567130      6.814679
  C     -11.090731      2.924558      7.079617
  C     -10.153794      3.048255      6.019810
  H      -3.529055      0.934602      3.193709
  H      -4.610205      1.967448      4.268782
  H      -4.910442     -0.212506      5.679222
  H      -4.436986     -1.060600      4.179129
  H      -6.876888     -0.870176      4.209276
  H      -6.800145      0.872508      4.572095
  H      -6.196140      3.102273      0.736498
  H      -6.196011     -0.676413     -1.899619
  H      -6.209095     -3.140546     -1.431741
  H      -6.247440     -3.966488      0.928096
  H      -6.288531     -2.369652      2.817674
  H      -5.019446      5.889060      5.956989
  H      -3.722233      6.567694      6.975186
  H      -2.960428      7.989679      5.116636
  H      -4.692086      8.237081      5.467646
  H      -4.062432      8.206928      3.008659
  H      -3.598586      6.502691      3.174518
  H      -8.575509      6.471870      4.777277
  H      -8.941267      5.477436      0.301109
  H      -7.392452      5.638899     -1.661028
  H      -5.019504      6.354638     -1.327710
  H      -4.182908      6.919488      0.933133
  H      -5.915365      1.982608      8.025546
  H      -6.284156      2.283890      6.303867
  H      -6.409088      4.306847      8.590036
  H      -6.492846      4.765280      6.869490
  H      -8.390286      2.738450      8.198273
  H      -8.757659      4.462122      8.039081
  H      -7.780675      3.441015      3.070901
  H     -12.235003      2.247801      3.394840
  H     -13.863588      2.035057      5.292460
  H     -13.120336      2.476002      7.636068
  H     -10.772246      3.117700      8.109295
  N      -2.438240      3.443176      3.361191
  H      -2.801545      3.357261      2.413042
  H      -1.438858      3.609003      3.293937
98
Coordinates from ORCA-job orca E -6204.261168717998
  N      -2.963565      1.360684      5.170725
  Mo     -3.584412      3.327390      5.115774
  N      -4.466453      3.088636      6.899132
  C      -3.580947      3.149547      8.061374
  C      -2.214523      2.538550      7.717518
  N      -1.689069      3.135057      6.453964
  C      -0.758689      2.219442      5.741327
  C      -1.556791      1.117861      4.978349
  C      -1.109539      4.483482      6.695165
  C      -1.636069      5.445784      5.615298
  N      -3.063530      5.225888      5.486871
  H      -1.285818      1.158476      3.903425
  H      -1.286830      0.113923      5.359018
  H      -0.197719      2.825677      5.017627
  H      -0.033722      1.789371      6.455835
  H      -1.400155      6.483645      5.907661
  H      -1.134642      5.250133      4.646435
  H      -1.473803      4.840867      7.669166
  H      -0.006634      4.436304      6.732915
  H      -4.005128      2.580536      8.910526
  H      -3.448169      4.196262      8.410983
  H      -2.347638      1.464179      7.542495
  H      -1.488962      2.686061      8.538706
  C      -3.948451      1.073846      4.195821
  C      -4.947216     -0.051559      4.531167
  C      -6.357481      0.164735      3.939134
  C      -6.299965      0.496983      2.473396
  N      -6.253628      1.787288      2.153562
  C      -6.126601      2.099326      0.834588
  N      -6.075204      1.270230     -0.197159
  C      -6.142027     -0.062128      0.106406
  C      -6.094913     -1.015183     -0.942757
  C      -6.137633     -2.367057     -0.656696
  C      -6.227763     -2.817251      0.683524
  C      -6.279908     -1.910011      1.725514
  C      -6.245302     -0.514192      1.463985
  C      -3.918987      6.309318      5.945799
  C      -3.876379      7.543780      5.033383
  C      -4.206180      7.243491      3.570404
  C      -5.636729      6.858275      3.293008
  N      -6.524547      6.953670      4.274925
  C      -7.805361      6.569918      4.009758
  N      -8.297155      6.111551      2.871758
  C      -7.421727      6.078456      1.820380
  C      -7.894998      5.688894      0.540817
  C      -7.036385      5.675885     -0.542217
  C      -5.674231      6.031585     -0.384421
  C      -5.185348      6.405183      0.854850
  C      -6.045832      6.444281      1.981965
  C      -5.864923      2.807204      7.174150
  C      -6.732849      4.029117      7.525933
  C      -8.224541      3.687992      7.540420
  C      -8.829629      3.405832      6.181797
  N      -8.064178      3.537191      5.109699
  C      -8.609875      3.259556      3.889340
  N      -9.836653      2.831341      3.640663
  C     -10.658932      2.713173      4.728674
  C     -12.000634      2.292274      4.536634
  C     -12.855466      2.178226      5.616375
  C     -12.405909      2.475649      6.926912
  C     -11.101671      2.881669      7.143154
  C     -10.201349      3.008048      6.053859
  H      -3.561122      0.981304      3.165775
  H      -4.649890      2.028716      4.208739
  H      -5.023183     -0.130299      5.626059
  H      -4.530553     -0.997481      4.146964
  H      -6.962495     -0.738650      4.108018
  H      -6.848687      1.003014      4.454726
  H      -6.064881      3.167197      0.610600
  H      -6.020959     -0.645438     -1.968606
  H      -6.100736     -3.097275     -1.469694
  H      -6.257896     -3.889639      0.893754
  H      -6.350527     -2.267325      2.755430
  H      -4.954986      5.948670      5.978204
  H      -3.646780      6.624529      6.977703
  H      -2.870648      7.995277      5.072488
  H      -4.591187      8.285007      5.427643
  H      -3.977491      8.136059      2.958020
  H      -3.549199      6.435726      3.202564
  H      -8.504794      6.642905      4.850208
  H      -8.947067      5.409665      0.445153
  H      -7.406526      5.376593     -1.526334
  H      -5.005512      6.008548     -1.248840
  H      -4.134250      6.680087      0.966473
  H      -5.946243      2.070240      8.002947
  H      -6.302926      2.341878      6.277659
  H      -6.444290      4.412288      8.519516
  H      -6.542217      4.824324      6.790888
  H      -8.400298      2.810696      8.190934
  H      -8.797808      4.515795      7.995082
  H      -7.929956      3.392242      3.039590
  H     -12.326032      2.073944      3.516333
  H     -13.889723      1.858461      5.462037
  H     -13.096409      2.382307      7.769396
  H     -10.761143      3.109751      8.156100
  N      -2.457324      3.468902      3.331823
  H      -2.837431      3.389186      2.388023
  H      -1.452929      3.618222      3.247297
98
Coordinates from ORCA-job orca E -6204.265197323189
  N      -2.995003      1.394987      5.129373
  Mo     -3.577997      3.371482      5.090673
  N      -4.484233      3.140672      6.877966
  C      -3.608438      3.186323      8.040723
  C      -2.250895      2.550279      7.709375
  N      -1.690061      3.144322      6.464506
  C      -0.782362      2.223419      5.737195
  C      -1.587750      1.150238      4.943681
  C      -1.098304      4.481090      6.716816
  C      -1.611873      5.460976      5.649145
  N      -3.038097      5.265990      5.515256
  H      -1.305102      1.216173      3.872898
  H      -1.327083      0.137068      5.302135
  H      -0.207897      2.839034      5.032583
  H      -0.066075      1.766562      6.442467
  H      -1.362730      6.491382      5.956036
  H      -1.107520      5.275186      4.680478
  H      -1.458999      4.828462      7.694493
  H       0.002321      4.416190      6.759667
  H      -4.049850      2.622165      8.884219
  H      -3.458318      4.226260      8.399562
  H      -2.397604      1.480238      7.521371
  H      -1.534505      2.677590      8.540536
  C      -3.968949      1.133039      4.136951
  C      -4.980230      0.017043      4.446109
  C      -6.372373      0.246886      3.822038
  C      -6.285731      0.578727      2.356792
  N      -6.242624      1.866844      2.034290
  C      -6.090171      2.180869      0.719816
  N      -6.006101      1.353477     -0.305066
  C      -6.069849      0.021643     -0.000451
  C      -5.992103     -0.930172     -1.047633
  C      -6.033065     -2.279149     -0.763996
  C      -6.153405     -2.731717      0.571602
  C      -6.236209     -1.826705      1.609840
  C      -6.202199     -0.433007      1.349254
  C      -3.886053      6.342480      5.991046
  C      -3.849671      7.551750      5.048341
  C      -4.191098      7.160447      3.614011
  C      -5.624075      6.763120      3.376789
  N      -6.508127      6.954198      4.346766
  C      -7.796510      6.586084      4.105825
  N      -8.297829      6.063963      3.005475
  C      -7.417294      5.904657      1.969962
  C      -7.893479      5.406280      0.731566
  C      -7.029594      5.257525     -0.334050
  C      -5.659548      5.585041     -0.199921
  C      -5.170225      6.064609      0.999418
  C      -6.036507      6.238647      2.106921
  C      -5.883395      2.873958      7.143995
  C      -6.741723      4.105058      7.475045
  C      -8.233246      3.772243      7.505609
  C      -8.855757      3.454422      6.165513
  N      -8.106487      3.552406      5.079587
  C      -8.674615      3.238495      3.880870
  N      -9.902375      2.811547      3.662166
  C     -10.706497      2.727528      4.765425
  C     -12.050285      2.305742      4.606588
  C     -12.886919      2.223792      5.700371
  C     -12.416962      2.555001      6.993112
  C     -11.110154      2.962240      7.176358
  C     -10.228877      3.055665      6.071140
  H      -3.569092      1.062284      3.109087
  H      -4.682703      2.089539      4.127211
  H      -5.079216     -0.067663      5.537429
  H      -4.558547     -0.929638      4.071842
  H      -6.986044     -0.649762      3.982465
  H      -6.866415      1.088777      4.326988
  H      -6.035500      3.250153      0.497752
  H      -5.896789     -0.560467     -2.068956
  H      -5.972382     -3.007118     -1.574010
  H      -6.182607     -3.801934      0.778397
  H      -6.330257     -2.184110      2.634912
  H      -4.919059      5.978435      6.037918
  H      -3.608763      6.665548      7.017669
  H      -2.844096      8.001737      5.057011
  H      -4.552830      8.314900      5.416463
  H      -3.961594      7.998519      2.931813
  H      -3.540581      6.325209      3.303778
  H      -8.491378      6.742267      4.935574
  H      -8.950910      5.151447      0.655280
  H      -7.400055      4.873198     -1.285263
  H      -4.987939      5.453606     -1.048935
  H      -4.113391      6.312000      1.096614
  H      -5.971427      2.144212      7.977681
  H      -6.320674      2.399940      6.252118
  H      -6.450699      4.510545      8.456847
  H      -6.546951      4.881973      6.722553
  H      -8.412035      2.915500      8.179364
  H      -8.800637      4.609329      7.947250
  H      -8.006793      3.327106      3.023009
  H     -12.392311      2.060391      3.600696
  H     -13.921688      1.903506      5.571414
  H     -13.092416      2.486999      7.846521
  H     -10.754455      3.216188      8.174812
  N      -2.509108      3.537900      3.292900
  H      -2.920143      3.470597      2.359639
  H      -1.505298      3.687886      3.176988
98
Coordinates from ORCA-job orca E -6204.268278144567
  N      -3.037336      1.414379      5.101486
  Mo     -3.605667      3.392146      5.081958
  N      -4.500070      3.158132      6.884353
  C      -3.615152      3.197922      8.035834
  C      -2.265848      2.551873      7.692256
  N      -1.702887      3.149042      6.453034
  C      -0.815466      2.231515      5.700659
  C      -1.631458      1.174925      4.896769
  C      -1.105716      4.479713      6.709810
  C      -1.630513      5.471692      5.661621
  N      -3.056821      5.285258      5.537552
  H      -1.358803      1.260120      3.824597
  H      -1.365431      0.156179      5.234221
  H      -0.244678      2.856652      5.001397
  H      -0.092392      1.757714      6.387848
  H      -1.373763      6.498069      5.977089
  H      -1.133420      5.296988      4.687009
  H      -1.451361      4.815521      7.696772
  H      -0.005017      4.410237      6.738742
  H      -4.051876      2.633520      8.882039
  H      -3.453923      4.234593      8.399656
  H      -2.420195      1.484375      7.496196
  H      -1.544901      2.667060      8.521383
  C      -4.019112      1.161392      4.114877
  C      -5.025397      0.044363      4.436087
  C      -6.428249      0.246896      3.825312
  C      -6.379970      0.530733      2.348659
  N      -6.387565      1.805898      1.977185
  C      -6.276267      2.074160      0.648760
  N      -6.183949      1.212067     -0.343999
  C      -6.197177     -0.108539      0.011366
  C      -6.111365     -1.095972     -1.001418
  C      -6.104896     -2.432850     -0.667605
  C      -6.185186     -2.838716      0.685509
  C      -6.275084     -1.898506      1.690197
  C      -6.287559     -0.516030      1.377381
  C      -3.905435      6.348429      6.034147
  C      -3.859136      7.589350      5.129992
  C      -4.135583      7.253349      3.667628
  C      -5.542549      6.838999      3.328284
  N      -6.490230      6.943135      4.250522
  C      -7.749742      6.565141      3.899508
  N      -8.166426      6.118426      2.734348
  C      -7.217664      6.046890      1.750946
  C      -7.602054      5.631600      0.452260
  C      -6.670144      5.583373     -0.563026
  C      -5.320053      5.927367     -0.316819
  C      -4.919408      6.318807      0.944828
  C      -5.858823      6.392599      2.002020
  C      -5.892393      2.873874      7.159497
  C      -6.767173      4.090365      7.498571
  C      -8.250224      3.727376      7.560924
  C      -8.893241      3.391657      6.235848
  N      -8.172960      3.519927      5.133824
  C      -8.758991      3.196680      3.947364
  N      -9.975932      2.734045      3.753226
  C     -10.750636      2.614331      4.874529
  C     -12.082659      2.149785      4.743461
  C     -12.890011      2.032227      5.855000
  C     -12.401620      2.369415      7.138479
  C     -11.105548      2.818255      7.294515
  C     -10.254297      2.948359      6.170538
  H      -3.626906      1.101798      3.082895
  H      -4.742211      2.115865      4.095824
  H      -5.113687     -0.028133      5.528932
  H      -4.598143     -0.904715      4.074571
  H      -7.028140     -0.650859      4.024916
  H      -6.922576      1.097308      4.315002
  H      -6.264742      3.135509      0.386527
  H      -6.048958     -0.762211     -2.037142
  H      -6.038261     -3.188649     -1.450734
  H      -6.177874     -3.900568      0.931260
  H      -6.338247     -2.219505      2.729173
  H      -4.936030      5.977478      6.062597
  H      -3.642468      6.644300      7.072383
  H      -2.860672      8.050928      5.188133
  H      -4.578712      8.333547      5.503723
  H      -3.888946      8.122684      3.032654
  H      -3.453654      6.445770      3.352363
  H      -8.498042      6.643554      4.693147
  H      -8.646108      5.363768      0.289494
  H      -6.969435      5.266686     -1.562673
  H      -4.593936      5.874286     -1.128161
  H      -3.877271      6.576496      1.130139
  H      -5.962750      2.141787      7.992886
  H      -6.330034      2.391103      6.272568
  H      -6.465810      4.509736      8.470885
  H      -6.602029      4.865232      6.737300
  H      -8.398996      2.870550      8.241370
  H      -8.827745      4.551284      8.013757
  H      -8.115239      3.316650      3.075122
  H     -12.440227      1.900496      3.744384
  H     -13.916020      1.678835      5.747430
  H     -13.054143      2.272979      8.006319
  H     -10.735729      3.076213      8.286337
  N      -2.608042      3.588154      3.261149
  H      -3.053348      3.523690      2.343266
  H      -1.610929      3.751436      3.108663
98
Coordinates from ORCA-job orca E -6204.270484232703
  N      -3.053246      1.422367      5.087910
  Mo     -3.575772      3.408177      5.064827
  N      -4.496013      3.193896      6.862347
  C      -3.620959      3.224728      8.020971
  C      -2.282711      2.545313      7.694127
  N      -1.687623      3.126930      6.463044
  C      -0.819708      2.192528      5.709240
  C      -1.649759      1.160023      4.889396
  C      -1.062323      4.444941      6.716685
  C      -1.568482      5.448243      5.669074
  N      -2.997632      5.289756      5.550077
  H      -1.368638      1.250882      3.819720
  H      -1.402035      0.132845      5.216802
  H      -0.229117      2.809602      5.018527
  H      -0.110264      1.695239      6.395411
  H      -1.288467      6.469461      5.983769
  H      -1.073846      5.264051      4.693764
  H      -1.396155      4.788550      7.705579
  H       0.037497      4.352820      6.742461
  H      -4.075242      2.676089      8.869085
  H      -3.438370      4.260153      8.380981
  H      -2.460780      1.481436      7.496900
  H      -1.570552      2.642150      8.534433
  C      -4.028284      1.187505      4.089984
  C      -5.055575      0.088519      4.406146
  C      -6.439593      0.300909      3.760463
  C      -6.357504      0.529225      2.276869
  N      -6.345080      1.789151      1.857541
  C      -6.205429      2.005420      0.521424
  N      -6.096395      1.104360     -0.435041
  C      -6.127207     -0.201935     -0.030378
  C      -6.025688     -1.228198     -1.003075
  C      -6.039577     -2.551758     -0.617990
  C      -6.156841     -2.904555      0.747922
  C      -6.262236     -1.925250      1.713963
  C      -6.252957     -0.555433      1.348202
  C      -3.827721      6.358925      6.064858
  C      -3.809131      7.601446      5.158683
  C      -4.135335      7.267183      3.706381
  C      -5.555414      6.859740      3.421377
  N      -6.466645      6.976320      4.378700
  C      -7.744358      6.616443      4.075410
  N      -8.211995      6.181086      2.924831
  C      -7.299251      6.084926      1.908830
  C      -7.737378      5.670512      0.626599
  C      -6.840630      5.592177     -0.419122
  C      -5.474442      5.903841     -0.220444
  C      -5.022201      6.297253      1.023815
  C      -5.924459      6.404058      2.110883
  C      -5.893302      2.915563      7.116888
  C      -6.769358      4.140736      7.422500
  C      -8.253537      3.783198      7.485066
  C      -8.892728      3.423686      6.163771
  N      -8.173626      3.545070      5.058617
  C      -8.756311      3.200837      3.875068
  N      -9.972142      2.729812      3.687816
  C     -10.745923      2.615041      4.811663
  C     -12.074458      2.137711      4.686667
  C     -12.879312      2.023131      5.801217
  C     -12.391550      2.376583      7.081147
  C     -11.098734      2.838429      7.231249
  C     -10.249927      2.965692      6.104382
  H      -3.623198      1.121551      3.063296
  H      -4.736848      2.152880      4.042300
  H      -5.170351      0.038918      5.498357
  H      -4.634247     -0.874958      4.075304
  H      -7.065588     -0.575444      3.979826
  H      -6.921402      1.180170      4.210537
  H      -6.184265      3.056026      0.219201
  H      -5.936083     -0.934448     -2.049910
  H      -5.961234     -3.338741     -1.370175
  H      -6.166086     -3.957336      1.033939
  H      -6.354475     -2.205672      2.763608
  H      -4.858390      5.989723      6.124179
  H      -3.535127      6.656287      7.095592
  H      -2.807842      8.061655      5.184542
  H      -4.514078      8.348222      5.556147
  H      -3.905631      8.132996      3.059109
  H      -3.470429      6.452353      3.371386
  H      -8.460789      6.705158      4.898326
  H      -8.793072      5.425305      0.501206
  H      -7.180566      5.275297     -1.406792
  H      -4.777202      5.826119     -1.056075
  H      -3.967645      6.529406      1.172892
  H      -5.982775      2.194097      7.958340
  H      -6.318104      2.421791      6.229091
  H      -6.471115      4.584301      8.385744
  H      -6.599296      4.896832      6.642975
  H      -8.408015      2.940353      8.182892
  H      -8.831622      4.616959      7.920475
  H      -8.112349      3.312778      2.998235
  H     -12.431701      1.875349      3.689764
  H     -13.903229      1.659168      5.698614
  H     -13.042478      2.282333      7.951757
  H     -10.729503      3.108928      8.221100
  N      -2.607298      3.610029      3.241587
  H      -3.064217      3.538550      2.330264
  H      -1.614788      3.785296      3.075823
98
Coordinates from ORCA-job orca E -6204.271744770476
  N      -3.062177      1.422264      5.097940
  Mo     -3.545142      3.414625      5.052963
  N      -4.502621      3.223796      6.836008
  C      -3.646887      3.258348      8.006050
  C      -2.312839      2.548494      7.709280
  N      -1.681405      3.108673      6.485648
  C      -0.823132      2.154216      5.748284
  C      -1.660096      1.136254      4.916444
  C      -1.031766      4.415598      6.732932
  C      -1.509783      5.419533      5.672496
  N      -2.941098      5.285975      5.546938
  H      -1.365506      1.224577      3.850473
  H      -1.431678      0.103589      5.243333
  H      -0.208826      2.758279      5.065091
  H      -0.132548      1.641292      6.443648
  H      -1.210435      6.438612      5.977922
  H      -1.009680      5.215842      4.705457
  H      -1.362713      4.775068      7.716544
  H       0.066943      4.303178      6.764633
  H      -4.122667      2.730311      8.857675
  H      -3.450307      4.296714      8.352184
  H      -2.510499      1.485772      7.518901
  H      -1.614990      2.636047      8.563407
  C      -4.024892      1.196758      4.087021
  C      -5.072306      0.114589      4.393868
  C      -6.431730      0.346723      3.700299
  C      -6.305221      0.547730      2.211368
  N      -6.274229      1.804821      1.774488
  C      -6.104366      2.005445      0.436884
  N      -5.972184      1.090187     -0.507228
  C      -6.015887     -0.213821     -0.087964
  C      -5.890133     -1.252471     -1.050216
  C      -5.920410     -2.573317     -0.650174
  C      -6.079360     -2.909369      0.719498
  C      -6.209456     -1.917207      1.676032
  C      -6.182164     -0.550319      1.295758
  C      -3.750044      6.367493      6.062750
  C      -3.732381      7.592050      5.131663
  C      -4.113646      7.220806      3.699525
  C      -5.560144      6.865744      3.472341
  N      -6.437860      7.071745      4.447869
  C      -7.747124      6.782264      4.192929
  N      -8.281551      6.347710      3.073706
  C      -7.401420      6.150368      2.042665
  C      -7.906054      5.715907      0.797002
  C      -7.043053      5.536744     -0.264876
  C      -5.648123      5.768291     -0.118090
  C      -5.129382      6.176548      1.091794
  C      -5.993474      6.382860      2.194858
  C      -5.902746      2.947347      7.071742
  C      -6.779666      4.183568      7.337370
  C      -8.265027      3.832605      7.416043
  C      -8.915216      3.426856      6.111425
  N      -8.206320      3.509126      4.996851
  C      -8.801706      3.128981      3.830073
  N     -10.020891      2.659520      3.668007
  C     -10.785573      2.581706      4.799993
  C     -12.116850      2.105749      4.699031
  C     -12.910722      2.026556      5.823149
  C     -12.408551      2.416211      7.087597
  C     -11.112711      2.878435      7.214255
  C     -10.274172      2.969287      6.077488
  H      -3.600867      1.115316      3.069024
  H      -4.715665      2.170437      4.008411
  H      -5.223846      0.083770      5.484263
  H      -4.652839     -0.861217      4.092713
  H      -7.085175     -0.509664      3.921198
  H      -6.904401      1.249933      4.119780
  H      -6.076567      3.055407      0.122603
  H      -5.769940     -0.970819     -2.100536
  H      -5.823441     -3.370856     -1.394126
  H      -6.101956     -3.960129      1.016478
  H      -6.334482     -2.185405      2.729159
  H      -4.784993      6.011593      6.148610
  H      -3.431109      6.678515      7.082010
  H      -2.719345      8.029182      5.116372
  H      -4.407605      8.365161      5.533000
  H      -3.865333      8.051135      3.013188
  H      -3.491768      6.365287      3.379773
  H      -8.434252      6.946221      5.028899
  H      -8.985124      5.537626      0.710790
  H      -7.434764      5.208545     -1.226066
  H      -4.981912      5.619269     -0.968698
  H      -4.051777      6.344661      1.201182
  H      -6.007464      2.243636      7.926683
  H      -6.316382      2.436556      6.186706
  H      -6.478432      4.661874      8.285374
  H      -6.608654      4.912476      6.529396
  H      -8.420919      3.014953      8.145164
  H      -8.834988      4.685494      7.823293
  H      -8.166498      3.201217      2.944187
  H     -12.484856      1.815087      3.712946
  H     -13.937066      1.662836      5.739666
  H     -13.051310      2.349825      7.965826
  H     -10.732934      3.177596      8.192704
  N      -2.582140      3.589583      3.238147
  H      -3.033752      3.479428      2.331926
  H      -1.594313      3.783958      3.070377
98
Coordinates from ORCA-job orca E -6204.272769541782
  N      -3.025035      1.410419      5.113099
  Mo     -3.504765      3.394316      5.045217
  N      -4.490308      3.214898      6.816506
  C      -3.648716      3.271120      7.994854
  C      -2.311017      2.555010      7.726341
  N      -1.656322      3.100955      6.509136
  C      -0.795293      2.144526      5.782422
  C      -1.620736      1.129419      4.939104
  C      -1.008938      4.408447      6.747659
  C      -1.482718      5.403198      5.675778
  N      -2.911959      5.266317      5.547184
  H      -1.319915      1.223207      3.874863
  H      -1.389694      0.096424      5.260662
  H      -0.171441      2.745190      5.105213
  H      -0.113488      1.628525      6.482915
  H      -1.183386      6.424626      5.969606
  H      -0.974658      5.190438      4.715197
  H      -1.339492      4.774929      7.728906
  H       0.088821      4.298795      6.779750
  H      -4.131490      2.762634      8.854164
  H      -3.451917      4.313988      8.322406
  H      -2.509932      1.492446      7.543296
  H      -1.630253      2.646399      8.593295
  C      -3.977190      1.169252      4.096457
  C      -5.011657      0.079735      4.407899
  C      -6.361737      0.305021      3.699538
  C      -6.225287      0.519544      2.219863
  N      -6.189075      1.778234      1.810457
  C      -6.024200      2.006406      0.484963
  N      -5.898305      1.117089     -0.471876
  C      -5.945317     -0.187758     -0.081670
  C      -5.835184     -1.195778     -1.060780
  C      -5.877456     -2.517446     -0.692409
  C      -6.031804     -2.882962      0.661299
  C      -6.146148     -1.920868      1.635050
  C      -6.107129     -0.553991      1.287917
  C      -3.722973      6.345345      6.064044
  C      -3.744292      7.566642      5.122865
  C      -4.160968      7.193137      3.699375
  C      -5.615817      6.849867      3.511993
  N      -6.463049      7.086951      4.508229
  C      -7.780165      6.819947      4.292068
  N      -8.349979      6.380685      3.192803
  C      -7.499419      6.133077      2.146024
  C      -8.036682      5.662493      0.928648
  C      -7.204723      5.435374     -0.150639
  C      -5.811554      5.658036     -0.050162
  C      -5.258191      6.093309      1.134509
  C      -6.087795      6.344444      2.256134
  C      -5.892317      2.929565      7.029474
  C      -6.766517      4.177858      7.253661
  C      -8.257057      3.856192      7.339935
  C      -8.916916      3.435314      6.045919
  N      -8.212439      3.475665      4.928172
  C      -8.822261      3.096280      3.769560
  N     -10.054474      2.671960      3.617222
  C     -10.814189      2.636479      4.752172
  C     -12.156636      2.211388      4.660190
  C     -12.944938      2.175490      5.788744
  C     -12.425276      2.560660      7.046951
  C     -11.118366      2.975336      7.164333
  C     -10.284559      3.020335      6.023472
  H      -3.541175      1.077199      3.083759
  H      -4.668640      2.136541      3.982936
  H      -5.178431      0.062348      5.496072
  H      -4.580881     -0.896255      4.126102
  H      -7.025371     -0.544332      3.914091
  H      -6.827408      1.209641      4.115760
  H      -5.997624      3.057825      0.195681
  H      -5.720513     -0.891001     -2.097467
  H      -5.795290     -3.291771     -1.448993
  H      -6.065599     -3.933886      0.932235
  H      -6.271681     -2.212015      2.674585
  H      -4.753466      5.979326      6.182573
  H      -3.378978      6.672577      7.070054
  H      -2.734915      8.011520      5.081134
  H      -4.414831      8.335066      5.539732
  H      -3.921911      8.016539      3.002160
  H      -3.554025      6.329636      3.372212
  H      -8.442597      7.012216      5.143239
  H      -9.113157      5.493076      0.878225
  H      -7.622364      5.081437     -1.091501
  H      -5.172286      5.478004     -0.916815
  H      -4.181609      6.248396      1.208493
  H      -6.016239      2.243279      7.895939
  H      -6.290683      2.403371      6.145461
  H      -6.460144      4.684008      8.185865
  H      -6.584728      4.878825      6.422914
  H      -8.432170      3.063049      8.090826
  H      -8.806336      4.732094      7.723735
  H      -8.192023      3.125268      2.879302
  H     -12.537356      1.924050      3.678544
  H     -13.979889      1.850737      5.712872
  H     -13.063957      2.529869      7.928357
  H     -10.725864      3.273571      8.137525
  N      -2.589724      3.564574      3.214739
  H      -3.055916      3.413311      2.319507
  H      -1.610994      3.797138      3.021639
98
Coordinates from ORCA-job orca E -6204.273470497487
  N      -3.035044      1.430775      5.073728
  Mo     -3.496897      3.416726      5.031105
  N      -4.487679      3.217849      6.796980
  C      -3.642962      3.256650      7.976379
  C      -2.311649      2.532060      7.703763
  N      -1.647870      3.088191      6.498922
  C      -0.797582      2.132924      5.754269
  C      -1.633578      1.141836      4.887866
  C      -0.989932      4.386637      6.756570
  C      -1.461257      5.402553      5.699224
  N      -2.892859      5.278681      5.570657
  H      -1.337964      1.256314      3.822747
  H      -1.408416      0.098767      5.185070
  H      -0.167498      2.738528      5.088234
  H      -0.120531      1.595079      6.445338
  H      -1.152501      6.418860      6.005132
  H      -0.955441      5.198549      4.733908
  H      -1.311530      4.739945      7.747194
  H       0.106987      4.269124      6.781479
  H      -4.127143      2.747169      8.831447
  H      -3.434495      4.294683      8.313242
  H      -2.520941      1.474434      7.503821
  H      -1.634326      2.603873      8.576081
  C      -3.995032      1.202446      4.057204
  C      -5.029610      0.114663      4.369250
  C      -6.381017      0.325059      3.661918
  C      -6.258931      0.490201      2.172606
  N      -6.271836      1.739871      1.704321
  C      -6.131778      1.911975      0.361795
  N      -5.980199      0.974727     -0.559305
  C      -5.972958     -0.322133     -0.106529
  C      -5.827485     -1.383821     -1.041192
  C      -5.815160     -2.699504     -0.605057
  C      -5.951012     -3.004952      0.772139
  C      -6.099008     -1.989402      1.702685
  C      -6.112911     -0.628244      1.286197
  C      -3.696102      6.356327      6.112861
  C      -3.741994      7.594896      5.193278
  C      -4.173979      7.259564      3.766271
  C      -5.627160      6.911290      3.586800
  N      -6.460745      7.123926      4.598174
  C      -7.771130      6.844669      4.392399
  N      -8.340491      6.400484      3.292748
  C      -7.502150      6.163817      2.234435
  C      -8.036108      5.670455      1.020271
  C      -7.218293      5.459850     -0.072444
  C      -5.844470      5.726225      0.008937
  C      -5.291647      6.175685      1.192819
  C      -6.106085      6.407055      2.329636
  C      -5.888829      2.923434      6.997705
  C      -6.757499      4.169548      7.232358
  C      -8.250250      3.864128      7.306246
  C      -8.903107      3.474236      6.004196
  N      -8.194103      3.539649      4.889147
  C      -8.801233      3.188615      3.723459
  N     -10.035117      2.771178      3.560613
  C     -10.797019      2.704426      4.694903
  C     -12.137758      2.273240      4.596151
  C     -12.926211      2.197972      5.726794
  C     -12.408653      2.551170      6.992589
  C     -11.103989      2.973608      7.115714
  C     -10.269610      3.056158      5.973753
  H      -3.562741      1.111137      3.041708
  H      -4.675368      2.172344      3.941420
  H      -5.198385      0.108412      5.455256
  H      -4.598102     -0.862601      4.100351
  H      -7.047102     -0.517816      3.905428
  H      -6.839199      1.242494      4.055554
  H      -6.154962      2.957654      0.023015
  H      -5.728690     -1.125356     -2.097304
  H      -5.704251     -3.515349     -1.326644
  H      -5.942213     -4.051398      1.096675
  H      -6.207805     -2.233267      2.761065
  H      -4.723305      5.987611      6.249002
  H      -3.331627      6.673585      7.114933
  H      -2.736738      8.045780      5.148127
  H      -4.412366      8.347539      5.635932
  H      -3.947279      8.099926      3.087651
  H      -3.567734      6.407912      3.412264
  H      -8.427257      7.025508      5.251679
  H      -9.097304      5.470553      0.984231
  H      -7.634770      5.089917     -1.011284
  H      -5.218548      5.567044     -0.870775
  H      -4.228788      6.356782      1.253240
  H      -6.022069      2.226833      7.852885
  H      -6.282052      2.411271      6.105377
  H      -6.449890      4.660589      8.167091
  H      -6.564788      4.874298      6.413565
  H      -8.437522      3.064278      8.041690
  H      -8.793902      4.739565      7.699656
  H      -8.169556      3.235670      2.832966
  H     -12.516257      2.010259      3.609745
  H     -13.959148      1.865436      5.646502
  H     -13.046464      2.489033      7.875783
  H     -10.713010      3.245630      8.094272
  N      -2.632850      3.604973      3.175711
  H      -3.118582      3.438524      2.287256
  H      -1.661065      3.862295      2.958433
98
Coordinates from ORCA-job orca E -6204.274183748523
  N      -3.064004      1.442466      5.092947
  Mo     -3.497574      3.434095      5.031727
  N      -4.507428      3.261797      6.788312
  C      -3.671399      3.303039      7.973968
  C      -2.349847      2.550332      7.721081
  N      -1.665305      3.085186      6.518827
  C      -0.821578      2.109886      5.790748
  C      -1.665764      1.130009      4.918467
  C      -0.988559      4.374501      6.774760
  C      -1.434341      5.388202      5.705243
  N      -2.868523      5.286437      5.564653
  H      -1.360650      1.238935      3.856405
  H      -1.459327      0.083933      5.218235
  H      -0.171048      2.699691      5.129983
  H      -0.163945      1.563393      6.493011
  H      -1.111148      6.402878      6.002508
  H      -0.923123      5.165346      4.747625
  H      -1.311676      4.740531      7.759584
  H       0.107012      4.240493      6.807605
  H      -4.170963      2.814040      8.833069
  H      -3.447365      4.343643      8.296133
  H      -2.577031      1.494402      7.527748
  H      -1.680325      2.617441      8.599386
  C      -4.024532      1.215941      4.074416
  C      -5.074862      0.142204      4.393099
  C      -6.426691      0.362898      3.688632
  C      -6.308830      0.536085      2.203248
  N      -6.310086      1.784592      1.741050
  C      -6.172111      1.959807      0.401524
  N      -6.033316      1.029623     -0.521677
  C      -6.038993     -0.264622     -0.074447
  C      -5.907207     -1.320008     -1.010503
  C      -5.910857     -2.633787     -0.580292
  C      -6.046823     -2.943270      0.792666
  C      -6.178106     -1.934010      1.725139
  C      -6.177017     -0.574931      1.314533
  C      -3.652115      6.381310      6.093498
  C      -3.665716      7.604999      5.160539
  C      -4.082775      7.254200      3.735820
  C      -5.540455      6.935580      3.535305
  N      -6.391768      7.170100      4.528677
  C      -7.711370      6.936450      4.292009
  N      -8.275946      6.519880      3.175104
  C      -7.419219      6.259905      2.134934
  C      -7.948970      5.803861      0.899677
  C      -7.105211      5.562875     -0.171290
  C      -5.706949      5.753980     -0.044283
  C      -5.164762      6.176125      1.157909
  C      -6.007285      6.444321      2.270012
  C      -5.909501      2.971400      6.982039
  C      -6.789078      4.214117      7.197215
  C      -8.275909      3.878792      7.292067
  C      -8.935019      3.452278      6.002489
  N      -8.244657      3.558254      4.873386
  C      -8.857814      3.172702      3.720032
  N     -10.077362      2.675099      3.583216
  C     -10.818532      2.551886      4.734636
  C     -12.139138      2.012784      4.668291
  C     -12.902208      1.873364      5.818190
  C     -12.380138      2.270232      7.071228
  C     -11.095290      2.798594      7.162722
  C     -10.285466      2.945278      6.001145
  H      -3.587657      1.102457      3.063595
  H      -4.683458      2.193993      3.942444
  H      -5.243656      0.145829      5.478157
  H      -4.656341     -0.841289      4.131140
  H      -7.100924     -0.473170      3.927997
  H      -6.875564      1.280657      4.087060
  H      -6.184638      3.002556      0.067309
  H      -5.807389     -1.058321     -2.064010
  H      -5.811838     -3.444887     -1.303409
  H      -6.050631     -3.988100      1.112672
  H      -6.287281     -2.180795      2.780910
  H      -4.683102      6.031293      6.228827
  H      -3.285060      6.706375      7.090373
  H      -2.653493      8.037128      5.121013
  H      -4.328370      8.373609      5.583637
  H      -3.828815      8.080526      3.048374
  H      -3.487815      6.385930      3.403929
  H      -8.379286      7.128832      5.139888
  H      -9.029774      5.658577      0.829443
  H      -7.516194      5.219247     -1.126066
  H      -5.055912      5.565159     -0.904265
  H      -4.083061      6.301518      1.253585
  H      -6.045542      2.285275      7.844638
  H      -6.296324      2.446622      6.094193
  H      -6.478283      4.727895      8.119648
  H      -6.615415      4.905619      6.361395
  H      -8.433726      3.083199      8.041019
  H      -8.837698      4.748620      7.677998
  H      -8.245230      3.271231      2.813311
  H     -12.521595      1.716820      3.690710
  H     -13.918901      1.453620      5.763483
  H     -12.997454      2.155724      7.970520
  H     -10.699928      3.099500      8.132777
  N      -2.633707      3.600394      3.176026
  H      -3.106742      3.396652      2.291899
  H      -1.676666      3.891905      2.957257
98
Coordinates from ORCA-job orca E -6204.275330952730
  N      -3.031775      1.430592      5.094678
  Mo     -3.471649      3.417616      5.022527
  N      -4.489140      3.253555      6.773447
  C      -3.657886      3.307662      7.961241
  C      -2.337586      2.551155      7.721320
  N      -1.647906      3.077319      6.519700
  C      -0.797528      2.099790      5.804949
  C      -1.632693      1.119099      4.928298
  C      -0.973630      4.368846      6.769999
  C      -1.416622      5.373316      5.691222
  N      -2.850340      5.266635      5.550728
  H      -1.320629      1.229546      3.868957
  H      -1.426558      0.074110      5.228360
  H      -0.139032      2.684861      5.148388
  H      -0.149933      1.556487      6.516550
  H      -1.096468      6.390354      5.980702
  H      -0.902668      5.143178      4.737034
  H      -1.300151      4.741060      7.750790
  H       0.121842      4.238083      6.805310
  H      -4.161790      2.832241      8.825891
  H      -3.432848      4.352091      8.268494
  H      -2.564910      1.494666      7.533686
  H      -1.674305      2.624303      8.603074
  C      -3.987104      1.192720      4.073550
  C      -5.036240      0.116766      4.385006
  C      -6.371181      0.337044      3.640040
  C      -6.214719      0.512643      2.155980
  N      -6.188275      1.764277      1.712485
  C      -6.000704      1.959057      0.380169
  N      -5.835476      1.044031     -0.555116
  C      -5.867756     -0.253298     -0.128805
  C      -5.708509     -1.290903     -1.080082
  C      -5.740696     -2.606832     -0.675601
  C      -5.930350     -2.936929      0.687899
  C      -6.086021     -1.945852      1.636798
  C      -6.059229     -0.584076      1.252458
  C      -3.637482      6.354387      6.085863
  C      -3.690390      7.555342      5.126698
  C      -4.174491      7.154184      3.733434
  C      -5.644551      6.843018      3.615647
  N      -6.444381      7.132184      4.635107
  C      -7.779792      6.919777      4.469994
  N      -8.408449      6.475876      3.402698
  C      -7.609512      6.160073      2.339148
  C      -8.215271      5.677822      1.154800
  C      -7.432460      5.376766      0.059798
  C      -6.018536      5.529206      0.113371
  C      -5.403319      5.982318      1.263849
  C      -6.183420      6.313465      2.398834
  C      -5.892119      2.971794      6.971000
  C      -6.757607      4.227846      7.172777
  C      -8.251266      3.923940      7.264444
  C      -8.902887      3.484196      5.975834
  N      -8.188276      3.512892      4.864476
  C      -8.793275      3.130082      3.708072
  N     -10.030214      2.711813      3.549897
  C     -10.796060      2.674916      4.680577
  C     -12.137994      2.243788      4.585516
  C     -12.931199      2.210024      5.709475
  C     -12.417068      2.602766      6.965796
  C     -11.110893      3.021926      7.086496
  C     -10.271193      3.065122      5.950690
  H      -3.540993      1.068407      3.067999
  H      -4.640885      2.168160      3.930313
  H      -5.233510      0.126675      5.467067
  H      -4.604638     -0.866617      4.138944
  H      -7.053734     -0.494413      3.862805
  H      -6.828175      1.261803      4.022598
  H      -5.990038      3.005434      0.064648
  H      -5.566290     -1.013118     -2.126638
  H      -5.621820     -3.404482     -1.411870
  H      -5.956344     -3.983745      0.987062
  H      -6.237235     -2.209374      2.685641
  H      -4.661055      5.993632      6.256395
  H      -3.245675      6.701105      7.066303
  H      -2.680501      7.989971      5.031418
  H      -4.339054      8.332383      5.559573
  H      -3.946258      7.954455      3.006194
  H      -3.601307      6.269772      3.404342
  H      -8.401141      7.156815      5.339451
  H      -9.308401      5.562399      1.141097
  H      -7.901040      5.011042     -0.854933
  H      -5.415825      5.288205     -0.765015
  H      -4.309519      6.079259      1.302991
  H      -6.032851      2.295301      7.840865
  H      -6.283826      2.441824      6.087738
  H      -6.440974      4.750810      8.089602
  H      -6.569925      4.905368      6.326862
  H      -8.436791      3.149676      8.030854
  H      -8.793172      4.818054      7.622270
  H      -8.161805      3.170830      2.816161
  H     -12.513875      1.950458      3.604482
  H     -13.965611      1.880807      5.631868
  H     -13.059202      2.574986      7.843322
  H     -10.723103      3.326683      8.059059
  N      -2.612009      3.588325      3.165422
  H      -3.069935      3.355457      2.287142
  H      -1.674377      3.922679      2.945013
98
Coordinates from ORCA-job orca E -6204.276639648080
  N      -3.036684      1.443032      5.069020
  Mo     -3.472944      3.428252      5.013576
  N      -4.491990      3.254971      6.763229
  C      -3.660490      3.303737      7.951207
  C      -2.344861      2.539645      7.709811
  N      -1.648582      3.070410      6.514102
  C      -0.802248      2.095793      5.790921
  C      -1.638518      1.131730      4.895824
  C      -0.970634      4.357547      6.773534
  C      -1.412804      5.371654      5.702792
  N      -2.847422      5.272109      5.562612
  H      -1.326883      1.260232      3.837427
  H      -1.433259      0.080846      5.177635
  H      -0.136587      2.685321      5.145143
  H      -0.161618      1.538271      6.499062
  H      -1.088330      6.386040      5.997773
  H      -0.899776      5.145549      4.747156
  H      -1.292851      4.722806      7.758519
  H       0.124361      4.223526      6.804960
  H      -4.166649      2.831560      8.815903
  H      -3.428344      4.346064      8.259136
  H      -2.579306      1.486182      7.513367
  H      -1.684029      2.601345      8.595065
  C      -3.996604      1.207160      4.050332
  C      -5.038828      0.128226      4.368323
  C      -6.376984      0.335822      3.630568
  C      -6.229341      0.489896      2.143718
  N      -6.225035      1.734439      1.674220
  C      -6.059087      1.902917      0.336172
  N      -5.894035      0.969877     -0.581042
  C      -5.901987     -0.320241     -0.127243
  C      -5.743905     -1.376558     -1.057468
  C      -5.754148     -2.686274     -0.624643
  C      -5.921205     -2.990922      0.746805
  C      -6.076387     -1.980695      1.675199
  C      -6.070725     -0.624781      1.261607
  C      -3.628126      6.358713      6.116173
  C      -3.690773      7.578932      5.178338
  C      -4.165124      7.214746      3.773611
  C      -5.630873      6.897215      3.636384
  N      -6.443133      7.158589      4.654542
  C      -7.770235      6.931287      4.472321
  N      -8.377708      6.495196      3.389173
  C      -7.565404      6.204679      2.327695
  C      -8.144464      5.719819      1.129790
  C      -7.346359      5.442010      0.038572
  C      -5.946329      5.628406      0.106925
  C      -5.356188      6.080255      1.270812
  C      -6.150088      6.381521      2.404137
  C      -5.894220      2.967088      6.953301
  C      -6.761033      4.222699      7.149973
  C      -8.254281      3.920487      7.248556
  C      -8.911762      3.471568      5.964493
  N      -8.204200      3.495950      4.847008
  C      -8.816877      3.107375      3.694849
  N     -10.054936      2.685844      3.546193
  C     -10.812660      2.650887      4.683584
  C     -12.154590      2.212040      4.600337
  C     -12.939313      2.175526      5.732310
  C     -12.416744      2.575105      6.984624
  C     -11.110589      3.003453      7.093438
  C     -10.279264      3.047615      5.949737
  H      -3.553425      1.082798      3.042787
  H      -4.648613      2.181511      3.905027
  H      -5.231342      0.145194      5.450859
  H      -4.605276     -0.855523      4.128014
  H      -7.057915     -0.494416      3.867828
  H      -6.832213      1.263909      4.005355
  H      -6.070335      2.943219     -0.001909
  H      -5.620662     -1.118181     -2.110056
  H      -5.636387     -3.498203     -1.344257
  H      -5.930507     -4.033233      1.068512
  H      -6.210358     -2.224228      2.729882
  H      -4.649939      5.995948      6.294748
  H      -3.225024      6.692475      7.096805
  H      -2.683991      8.021031      5.096226
  H      -4.345499      8.342076      5.625548
  H      -3.938860      8.034349      3.069238
  H      -3.584315      6.343608      3.424729
  H      -8.404426      7.149121      5.338591
  H      -9.225326      5.577417      1.104963
  H      -7.794248      5.072872     -0.885646
  H      -5.332516      5.411154     -0.768985
  H      -4.274438      6.200921      1.321621
  H      -6.038805      2.289556      7.821832
  H      -6.280185      2.436772      6.067348
  H      -6.440172      4.752267      8.061799
  H      -6.576009      4.894678      6.299157
  H      -8.439229      3.154105      8.023451
  H      -8.793614      4.817788      7.599926
  H      -8.190738      3.137742      2.799890
  H     -12.537051      1.912989      3.622574
  H     -13.973315      1.838282      5.664221
  H     -13.052209      2.544258      7.868894
  H     -10.716045      3.312258      8.062761
  N      -2.654715      3.622032      3.140975
  H      -3.117961      3.360073      2.269980
  H      -1.743814      4.020656      2.897578
98
Coordinates from ORCA-job orca E -6204.277342427258
  N      -3.014888      1.450354      5.060070
  Mo     -3.439781      3.436361      5.004176
  N      -4.475976      3.272978      6.743333
  C      -3.653755      3.321730      7.938846
  C      -2.344268      2.540865      7.713824
  N      -1.629469      3.060800      6.522389
  C      -0.783728      2.076221      5.810489
  C      -1.618274      1.128019      4.896616
  C      -0.941516      4.343153      6.784385
  C      -1.365249      5.357937      5.706489
  N      -2.801537      5.271487      5.558983
  H      -1.294693      1.265523      3.842860
  H      -1.424862      0.072557      5.169984
  H      -0.098402      2.658477      5.178444
  H      -0.164191      1.507523      6.528444
  H      -1.032486      6.370708      5.998586
  H      -0.848501      5.121983      4.755988
  H      -1.267802      4.713929      7.765645
  H       0.152204      4.199735      6.823746
  H      -4.173207      2.863218      8.802860
  H      -3.411725      4.363878      8.238772
  H      -2.589573      1.489911      7.517064
  H      -1.692174      2.596538      8.606132
  C      -3.974624      1.212701      4.038991
  C      -5.018243      0.137546      4.363420
  C      -6.359518      0.333791      3.629891
  C      -6.226146      0.473073      2.140805
  N      -6.240953      1.713376      1.653510
  C      -6.094958      1.865642      0.311382
  N      -5.932505      0.920147     -0.595106
  C      -5.920232     -0.365977     -0.122118
  C      -5.763037     -1.436468     -1.038003
  C      -5.753615     -2.742779     -0.584993
  C      -5.900215     -3.030030      0.792851
  C      -6.054314     -2.005641      1.707352
  C      -6.067591     -0.653178      1.272842
  C      -3.575246      6.359636      6.120914
  C      -3.662670      7.576912      5.180450
  C      -4.185078      7.212572      3.791984
  C      -5.658800      6.915494      3.706651
  N      -6.434513      7.214761      4.744612
  C      -7.771428      7.007463      4.611453
  N      -8.420169      6.556392      3.559568
  C      -7.644077      6.224376      2.479372
  C      -8.264614      5.713706      1.314675
  C      -7.502705      5.388483      0.207113
  C      -6.099838      5.557440      0.223375
  C      -5.468821      6.033805      1.353197
  C      -6.224096      6.379765      2.503692
  C      -5.881886      2.987474      6.915429
  C      -6.752951      4.244291      7.093131
  C      -8.247248      3.944113      7.168656
  C      -8.888515      3.509974      5.873728
  N      -8.170594      3.560108      4.761265
  C      -8.773471      3.196959      3.598350
  N     -10.010709      2.775029      3.433799
  C     -10.776911      2.708939      4.566967
  C     -12.116939      2.260470      4.470213
  C     -12.909098      2.185691      5.599507
  C     -12.396898      2.558072      6.862191
  C     -11.093673      2.998187      6.983537
  C     -10.254554      3.078833      5.843417
  H      -3.528216      1.074943      3.034358
  H      -4.615421      2.188936      3.885168
  H      -5.210268      0.164231      5.445318
  H      -4.584346     -0.847793      4.131862
  H      -7.036265     -0.497575      3.878669
  H      -6.815239      1.262227      3.999396
  H      -6.122986      2.902979     -0.041162
  H      -5.656108     -1.191679     -2.095747
  H      -5.636297     -3.565248     -1.293664
  H      -5.894372     -4.069792      1.130878
  H      -6.172088     -2.235109      2.767108
  H      -4.591868      5.993894      6.324541
  H      -3.150358      6.698930      7.090314
  H      -2.657184      8.016051      5.065186
  H      -4.302547      8.341961      5.648206
  H      -3.969732      8.027329      3.077050
  H      -3.628394      6.331833      3.426738
  H      -8.374850      7.257568      5.492667
  H      -9.346314      5.585530      1.329387
  H      -7.982677      4.997016     -0.689841
  H      -5.514634      5.302712     -0.664936
  H      -4.385209      6.137368      1.365297
  H      -6.040351      2.313455      7.784336
  H      -6.253836      2.453703      6.025450
  H      -6.444673      4.774765      8.007411
  H      -6.556266      4.914023      6.244514
  H      -8.442465      3.174574      7.934621
  H      -8.791503      4.839727      7.518004
  H      -8.139393      3.248340      2.707830
  H     -12.491227      1.982316      3.485599
  H     -13.941055      1.837907      5.521159
  H     -13.037693      2.495894      7.745083
  H     -10.706671      3.283947      7.960500
  N      -2.641647      3.637001      3.124944
  H      -3.098445      3.346315      2.257519
  H      -1.757565      4.086451      2.871507
98
Coordinates from ORCA-job orca E -6204.278402023650
  N      -3.013910      1.461623      5.042660
  Mo     -3.440707      3.444857      4.998944
  N      -4.480158      3.278501      6.732442
  C      -3.661118      3.325281      7.930753
  C      -2.359019      2.534113      7.710115
  N      -1.637513      3.052380      6.523365
  C      -0.789313      2.066139      5.816558
  C      -1.618774      1.134999      4.882124
  C      -0.945958      4.331006      6.793941
  C      -1.358436      5.348093      5.715057
  N      -2.795752      5.270261      5.560643
  H      -1.287014      1.288188      3.833207
  H      -1.431118      0.075220      5.140620
  H      -0.088806      2.645823      5.200124
  H      -0.188722      1.486370      6.540645
  H      -1.022674      6.359464      6.007310
  H      -0.838565      5.107300      4.767998
  H      -1.275910      4.701368      7.773970
  H       0.146473      4.183345      6.838003
  H      -4.186842      2.874878      8.793977
  H      -3.412216      4.366433      8.226368
  H      -2.612164      1.486382      7.507743
  H      -1.710473      2.581914      8.605078
  C      -3.975321      1.220687      4.022055
  C      -5.017195      0.145592      4.347089
  C      -6.357808      0.336019      3.608834
  C      -6.223780      0.469771      2.119515
  N      -6.240371      1.706568      1.622973
  C      -6.091429      1.848921      0.280601
  N      -5.921292      0.897838     -0.618947
  C      -5.904182     -0.384163     -0.136159
  C      -5.734261     -1.461482     -1.042419
  C      -5.718914     -2.764056     -0.579077
  C      -5.872377     -3.040714      0.800225
  C      -6.038543     -2.009373      1.705700
  C      -6.057265     -0.660937      1.260384
  C      -3.560682      6.360117      6.132532
  C      -3.649148      7.575611      5.191379
  C      -4.174606      7.212899      3.804991
  C      -5.649196      6.921157      3.714786
  N      -6.427833      7.219180      4.749680
  C      -7.764979      7.018495      4.607921
  N      -8.411700      6.574240      3.549218
  C      -7.633846      6.245277      2.471689
  C      -8.253437      5.745273      1.298684
  C      -7.488909      5.418163      0.196457
  C      -6.084609      5.576578      0.224990
  C      -5.454898      6.045721      1.361445
  C      -6.213138      6.392442      2.507553
  C      -5.885236      2.993219      6.904067
  C      -6.757577      4.247791      7.078346
  C      -8.251539      3.944307      7.164426
  C      -8.900824      3.488701      5.879306
  N      -8.186455      3.507412      4.762736
  C      -8.798821      3.125773      3.609141
  N     -10.043099      2.716371      3.456665
  C     -10.804571      2.680237      4.594616
  C     -12.151189      2.244766      4.511804
  C     -12.938763      2.199709      5.646149
  C     -12.415529      2.589259      6.900680
  C     -11.105970      3.017392      7.008529
  C     -10.271364      3.068420      5.862661
  H      -3.528363      1.074242      3.018271
  H      -4.607866      2.195589      3.870198
  H      -5.212748      0.176014      5.427936
  H      -4.580549     -0.838779      4.119713
  H      -7.031704     -0.496969      3.857720
  H      -6.818559      1.262932      3.974330
  H      -6.122864      2.883185     -0.080213
  H      -5.621826     -1.224858     -2.101883
  H      -5.591023     -3.591719     -1.280876
  H      -5.861857     -4.077293      1.146883
  H      -6.160732     -2.230400      2.767143
  H      -4.574349      5.996195      6.346854
  H      -3.124936      6.698670      7.096133
  H      -2.644220      8.012049      5.073506
  H      -4.287272      8.340441      5.659036
  H      -3.959547      8.028058      3.091229
  H      -3.619545      6.333116      3.438047
  H      -8.370441      7.265851      5.486830
  H      -9.336968      5.624495      1.303620
  H      -7.969093      5.033232     -0.705798
  H      -5.497027      5.320971     -0.658442
  H      -4.370274      6.142371      1.383009
  H      -6.041755      2.321236      7.774124
  H      -6.256653      2.456705      6.016121
  H      -6.445267      4.784848      7.986809
  H      -6.565784      4.911726      6.225173
  H      -8.442080      3.186834      7.943848
  H      -8.795675      4.845104      7.500441
  H      -8.168281      3.153837      2.715271
  H     -12.533812      1.952571      3.533304
  H     -13.975664      1.862206      5.578224
  H     -13.052752      2.550597      7.787776
  H     -10.710466      3.317177      7.978963
  N      -2.668346      3.672919      3.110271
  H      -3.114014      3.355836      2.244835
  H      -1.821812      4.183655      2.850187
98
Coordinates from ORCA-job orca E -6204.279338264412
  N      -3.006642      1.466722      5.027291
  Mo     -3.432018      3.447848      4.991705
  N      -4.477357      3.290482      6.721804
  C      -3.662093      3.337805      7.923108
  C      -2.369016      2.530349      7.710605
  N      -1.636625      3.039797      6.526275
  C      -0.788344      2.046373      5.828049
  C      -1.612979      1.133587      4.872457
  C      -0.938119      4.315422      6.797784
  C      -1.337300      5.331013      5.713640
  N      -2.775782      5.264002      5.555654
  H      -1.270101      1.300884      3.829643
  H      -1.433104      0.069346      5.116729
  H      -0.068571      2.620036      5.228983
  H      -0.210472      1.454287      6.560065
  H      -0.995671      6.341470      6.002179
  H      -0.816591      5.080927      4.769847
  H      -1.271067      4.691000      7.774799
  H       0.153155      4.160415      6.848011
  H      -4.197254      2.900250      8.787149
  H      -3.402625      4.378451      8.211526
  H      -2.632962      1.485236      7.506689
  H      -1.723599      2.571343      8.608162
  C      -3.968552      1.220388      4.006267
  C      -5.011246      0.147678      4.334630
  C      -6.345951      0.337698      3.584813
  C      -6.199414      0.461961      2.095269
  N      -6.207889      1.694510      1.594169
  C      -6.048147      1.831346      0.252697
  N      -5.870537      0.878209     -0.643087
  C      -5.859168     -0.399570     -0.155466
  C      -5.681636     -1.478063     -1.056443
  C      -5.672897     -2.776201     -0.589564
  C      -5.840689     -3.047765      0.789088
  C      -6.014776     -2.015187      1.689949
  C      -6.027089     -0.670989      1.240834
  C      -3.535109      6.353372      6.137544
  C      -3.641800      7.566776      5.194917
  C      -4.191412      7.205003      3.817340
  C      -5.668711      6.918730      3.748308
  N      -6.432417      7.231430      4.789535
  C      -7.771804      7.033822      4.668089
  N      -8.433554      6.579871      3.624161
  C      -7.671677      6.236053      2.540494
  C      -8.308768      5.724237      1.383147
  C      -7.562180      5.378777      0.276005
  C      -6.158766      5.533642      0.282197
  C      -5.511128      6.015032      1.402797
  C      -6.251241      6.378374      2.554743
  C      -5.883607      3.009505      6.889680
  C      -6.752272      4.268738      7.044648
  C      -8.247059      3.972532      7.136752
  C      -8.897259      3.491202      5.860413
  N      -8.177576      3.469050      4.748752
  C      -8.790449      3.065046      3.601342
  N     -10.040699      2.672415      3.450131
  C     -10.806696      2.677286      4.583580
  C     -12.159604      2.262706      4.501631
  C     -12.952820      2.261560      5.629901
  C     -12.429057      2.674491      6.878426
  C     -11.113325      3.081971      6.985687
  C     -10.273166      3.089451      5.845315
  H      -3.520272      1.064109      3.004775
  H      -4.595464      2.194175      3.851577
  H      -5.214635      0.184929      5.414710
  H      -4.572668     -0.838410      4.115363
  H      -7.022483     -0.492486      3.834613
  H      -6.808709      1.269168      3.941527
  H      -6.076326      2.862711     -0.111645
  H      -5.558422     -1.245612     -2.115755
  H      -5.539207     -3.604445     -1.287901
  H      -5.835525     -4.080778      1.138638
  H      -6.148749     -2.232328      2.750964
  H      -4.543648      5.986093      6.371932
  H      -3.082929      6.694279      7.092380
  H      -2.639695      8.004645      5.060150
  H      -4.273760      8.330468      5.672580
  H      -3.987398      8.021230      3.101765
  H      -3.644181      6.325917      3.438557
  H      -8.364438      7.293613      5.551941
  H      -9.392001      5.606485      1.404500
  H      -8.057031      4.983429     -0.612956
  H      -5.586368      5.265280     -0.606166
  H      -4.426640      6.108368      1.408587
  H      -6.043930      2.347118      7.766578
  H      -6.251761      2.463114      6.005783
  H      -6.437859      4.821657      7.944805
  H      -6.558044      4.918511      6.179547
  H      -8.443409      3.234069      7.934825
  H      -8.786826      4.883739      7.449996
  H      -8.154537      3.060663      2.712304
  H     -12.542511      1.951727      3.527479
  H     -13.994682      1.941409      5.562217
  H     -13.070796      2.671129      7.760300
  H     -10.717686      3.400988      7.951421
  N      -2.696324      3.702816      3.094269
  H      -3.133538      3.364843      2.233564
  H      -1.885737      4.265007      2.827393
98
Coordinates from ORCA-job orca E -6204.280209995351
  N      -2.987210      1.471817      5.002012
  Mo     -3.426682      3.446401      4.984607
  N      -4.472428      3.287394      6.713307
  C      -3.659890      3.332051      7.917008
  C      -2.371874      2.519183      7.706029
  N      -1.634721      3.028596      6.524592
  C      -0.780665      2.036452      5.831549
  C      -1.593460      1.141854      4.851000
  C      -0.937157      4.304144      6.800284
  C      -1.327468      5.317301      5.712639
  N      -2.765714      5.255408      5.551160
  H      -1.239915      1.328570      3.815135
  H      -1.414771      0.074014      5.076922
  H      -0.044625      2.610095      5.253625
  H      -0.223940      1.432802      6.569218
  H      -0.985196      6.327635      5.999043
  H      -0.805889      5.061838      4.771029
  H      -1.276393      4.681034      7.774540
  H       0.152891      4.147087      6.858161
  H      -4.200386      2.897721      8.778579
  H      -3.397172      4.370833      8.205990
  H      -2.639579      1.476501      7.496214
  H      -1.727452      2.553499      8.604317
  C      -3.949027      1.215622      3.982024
  C      -4.980698      0.136010      4.316935
  C      -6.319951      0.312613      3.572348
  C      -6.182151      0.432561      2.082172
  N      -6.222270      1.661596      1.571916
  C      -6.079895      1.790172      0.230192
  N      -5.888655      0.832743     -0.658587
  C      -5.841694     -0.440485     -0.161593
  C      -5.645554     -1.522618     -1.053238
  C      -5.600064     -2.816113     -0.576699
  C      -5.750384     -3.079678      0.802741
  C      -5.943762     -2.043377      1.694581
  C      -5.992211     -0.704056      1.235704
  C      -3.520808      6.343584      6.142525
  C      -3.634078      7.555726      5.200145
  C      -4.200770      7.195137      3.829981
  C      -5.681103      6.922547      3.780982
  N      -6.426466      7.255920      4.828581
  C      -7.771212      7.074981      4.727192
  N      -8.454454      6.621657      3.696736
  C      -7.710701      6.258271      2.605878
  C      -8.371278      5.746634      1.461981
  C      -7.643696      5.376905      0.349706
  C      -6.236117      5.510349      0.336085
  C      -5.565596      5.992889      1.442930
  C      -6.286263      6.377941      2.600363
  C      -5.879090      3.003687      6.877497
  C      -6.750709      4.261163      7.023895
  C      -8.246016      3.968078      7.114868
  C      -8.897343      3.486391      5.840453
  N      -8.173575      3.444538      4.731909
  C      -8.788576      3.048613      3.583617
  N     -10.045582      2.687699      3.426981
  C     -10.815337      2.715356      4.557117
  C     -12.176228      2.341203      4.468039
  C     -12.974718      2.366328      5.591061
  C     -12.448270      2.765061      6.842285
  C     -11.124900      3.133060      6.956561
  C     -10.279728      3.115098      5.820822
  H      -3.502192      1.057464      2.980412
  H      -4.580322      2.183948      3.832803
  H      -5.178520      0.173199      5.398030
  H      -4.535574     -0.847041      4.096822
  H      -6.984339     -0.525532      3.827589
  H      -6.793010      1.238009      3.930275
  H      -6.139049      2.817989     -0.142873
  H      -5.536953     -1.296916     -2.113649
  H      -5.450996     -3.646654     -1.268264
  H      -5.716292     -4.108795      1.160430
  H      -6.064160     -2.254290      2.756357
  H      -4.526334      5.975381      6.388528
  H      -3.057841      6.683262      7.092078
  H      -2.632220      7.990061      5.054395
  H      -4.258551      8.322106      5.683093
  H      -4.001401      8.010902      3.111663
  H      -3.664524      6.313070      3.442932
  H      -8.346380      7.346979      5.618439
  H      -9.458196      5.646840      1.497444
  H      -8.157756      4.980623     -0.527978
  H      -5.679422      5.225850     -0.557556
  H      -4.477607      6.069730      1.435077
  H      -6.038120      2.344314      7.756631
  H      -6.242314      2.451164      5.995304
  H      -6.439896      4.819578      7.922306
  H      -6.554453      4.908002      6.156928
  H      -8.448050      3.235252      7.916480
  H      -8.782913      4.882393      7.422581
  H      -8.147399      3.025227      2.698940
  H     -12.561090      2.040643      3.491997
  H     -14.022585      2.079116      5.517234
  H     -13.094169      2.783088      7.719670
  H     -10.727447      3.443209      7.923947
  N      -2.735508      3.746574      3.078778
  H      -3.164331      3.396124      2.219740
  H      -1.964936      4.362862      2.811233
98
Coordinates from ORCA-job orca E -6204.281117209613
  N      -2.970122      1.482112      4.980633
  Mo     -3.417478      3.451761      4.978470
  N      -4.466818      3.297038      6.705403
  C      -3.658559      3.338025      7.912652
  C      -2.376368      2.515867      7.705866
  N      -1.630811      3.020887      6.526799
  C      -0.773599      2.024192      5.842517
  C      -1.576788      1.149424      4.837103
  C      -0.929038      4.294728      6.804280
  C      -1.305167      5.304728      5.710051
  N      -2.743544      5.252497      5.544878
  H      -1.210460      1.351670      3.808863
  H      -1.403646      0.077390      5.046343
  H      -0.017142      2.593000      5.286886
  H      -0.242135      1.407169      6.587176
  H      -0.957781      6.314392      5.992630
  H      -0.783778      5.039909      4.771249
  H      -1.274671      4.676933      7.774188
  H       0.159460      4.131277      6.872583
  H      -4.206741      2.908075      8.771389
  H      -3.390509      4.374897      8.202564
  H      -2.651016      1.475690      7.492054
  H      -1.733148      2.542532      8.605338
  C      -3.931415      1.217831      3.960410
  C      -4.959673      0.136788      4.302415
  C      -6.301088      0.309565      3.560264
  C      -6.170591      0.420234      2.068500
  N      -6.213113      1.644871      1.547149
  C      -6.074386      1.762766      0.203622
  N      -5.880908      0.798856     -0.678225
  C      -5.828771     -0.469892     -0.169724
  C      -5.625651     -1.559331     -1.051160
  C      -5.574222     -2.848300     -0.561366
  C      -5.726486     -3.100022      0.820964
  C      -5.926589     -2.056442      1.702873
  C      -5.979330     -0.722248      1.230980
  C      -3.494661      6.339580      6.145435
  C      -3.616749      7.551601      5.204670
  C      -4.205253      7.193050      3.842600
  C      -5.687295      6.925959      3.818315
  N      -6.411509      7.273917      4.874929
  C      -7.757843      7.094297      4.800938
  N      -8.460720      6.629921      3.789675
  C      -7.738684      6.253627      2.688640
  C      -8.421745      5.730398      1.564438
  C      -7.718103      5.347505      0.442102
  C      -6.312372      5.480768      0.398315
  C      -5.619142      5.974277      1.486388
  C      -6.315361      6.370964      2.654058
  C      -5.875579      3.013042      6.861731
  C      -6.749210      4.270507      6.990015
  C      -8.245547      3.982176      7.073076
  C      -8.894616      3.495157      5.800353
  N      -8.166115      3.436438      4.695253
  C      -8.780820      3.036611      3.548218
  N     -10.042020      2.689254      3.389882
  C     -10.816579      2.734179      4.516917
  C     -12.182498      2.372906      4.426355
  C     -12.985594      2.411987      5.546788
  C     -12.458953      2.812909      6.796863
  C     -11.130987      3.169594      6.912083
  C     -10.281405      3.136947      5.779045
  H      -3.485315      1.056722      2.959585
  H      -4.565392      2.182173      3.814409
  H      -5.154347      0.176956      5.384079
  H      -4.513395     -0.846400      4.084224
  H      -6.961175     -0.530170      3.823791
  H      -6.775938      1.234410      3.916585
  H      -6.137478      2.786880     -0.178998
  H      -5.515890     -1.343752     -2.114809
  H      -5.418971     -3.684069     -1.245267
  H      -5.688102     -4.125236      1.189430
  H      -6.049228     -2.257965      2.767466
  H      -4.497755      5.970152      6.401080
  H      -3.022110      6.677352      7.090898
  H      -2.615382      7.983233      5.045344
  H      -4.232435      8.319824      5.696377
  H      -4.015262      8.010143      3.122457
  H      -3.678568      6.310314      3.444631
  H      -8.314902      7.379161      5.699579
  H      -9.507058      5.631941      1.622265
  H      -8.250540      4.941730     -0.419857
  H      -5.776048      5.188596     -0.504979
  H      -4.532329      6.051605      1.456275
  H      -6.038555      2.360713      7.745179
  H      -6.230686      2.451234      5.982064
  H      -6.446146      4.836498      7.886166
  H      -6.545469      4.910508      6.120563
  H      -8.454663      3.256619      7.878919
  H      -8.781639      4.900202      7.371842
  H      -8.133770      2.995175      2.667521
  H     -12.567159      2.069498      3.451548
  H     -14.037324      2.133512      5.471906
  H     -13.108294      2.841101      7.672624
  H     -10.733454      3.480703      7.878645
  N      -2.774160      3.792296      3.066567
  H      -3.196510      3.431860      2.209040
  H      -2.046577      4.459806      2.800620
98
Coordinates from ORCA-job orca E -6204.282027954923
  N      -2.963907      1.483152      4.957264
  Mo     -3.421689      3.446324      4.971326
  N      -4.466374      3.296362      6.703384
  C      -3.656582      3.332657      7.910066
  C      -2.378557      2.504136      7.699942
  N      -1.630877      3.006969      6.520300
  C      -0.772936      2.005909      5.840582
  C      -1.570676      1.148736      4.815694
  C      -0.924529      4.279561      6.795900
  C      -1.291929      5.285482      5.695521
  N      -2.730885      5.241935      5.533057
  H      -1.197523      1.363594      3.792629
  H      -1.400619      0.072787      5.008770
  H       0.000618      2.569258      5.303028
  H      -0.261578      1.375779      6.588622
  H      -0.937435      6.294672      5.972328
  H      -0.774971      5.010975      4.757130
  H      -1.273151      4.667945      7.762511
  H       0.162996      4.110333      6.871532
  H      -4.206827      2.903292      8.768179
  H      -3.383764      4.367933      8.203420
  H      -2.659680      1.465727      7.483178
  H      -1.731837      2.523105      8.597425
  C      -3.927548      1.209871      3.940033
  C      -4.951077      0.125617      4.291971
  C      -6.294548      0.293929      3.552489
  C      -6.165643      0.398821      2.060930
  N      -6.220875      1.619884      1.531923
  C      -6.080673      1.729152      0.187223
  N      -5.870691      0.761184     -0.688494
  C      -5.802666     -0.503291     -0.171398
  C      -5.576589     -1.596864     -1.043434
  C      -5.506667     -2.881685     -0.542339
  C      -5.664245     -3.124528      0.841145
  C      -5.887582     -2.076546      1.713970
  C      -5.957641     -0.747162      1.231289
  C      -3.477715      6.328135      6.144766
  C      -3.607050      7.548813      5.215414
  C      -4.213881      7.209947      3.855286
  C      -5.697196      6.945390      3.846707
  N      -6.409149      7.298168      4.911223
  C      -7.755953      7.117120      4.854750
  N      -8.469152      6.647075      3.854398
  C      -7.759678      6.267747      2.744149
  C      -8.454442      5.740067      1.630338
  C      -7.763085      5.353376      0.498291
  C      -6.358664      5.487963      0.435345
  C      -5.654587      5.987212      1.513706
  C      -6.337646      6.387094      2.690399
  C      -5.877553      3.015035      6.855278
  C      -6.746392      4.276196      6.968192
  C      -8.244011      3.998614      7.048580
  C      -8.893254      3.507400      5.778422
  N      -8.161195      3.429558      4.677278
  C      -8.776017      3.023635      3.532107
  N     -10.041203      2.688260      3.373733
  C     -10.820274      2.753061      4.497158
  C     -12.190986      2.403937      4.405884
  C     -12.997907      2.460362      5.523739
  C     -12.470135      2.867494      6.771182
  C     -11.137492      3.213341      6.886503
  C     -10.284477      3.162890      5.756440
  H      -3.485001      1.051294      2.938200
  H      -4.570243      2.168407      3.798456
  H      -5.140515      0.169332      5.374545
  H      -4.504216     -0.857918      4.075304
  H      -6.950385     -0.547621      3.820794
  H      -6.772241      1.217266      3.908451
  H      -6.155353      2.748797     -0.203596
  H      -5.463282     -1.389415     -2.108750
  H      -5.332239     -3.720392     -1.219046
  H      -5.611203     -4.146000      1.218933
  H      -6.014698     -2.271119      2.779751
  H      -4.480544      5.958577      6.404924
  H      -2.997221      6.657697      7.089748
  H      -2.604953      7.978386      5.049706
  H      -4.213830      8.314785      5.722318
  H      -4.029953      8.037130      3.144790
  H      -3.695277      6.331660      3.437955
  H      -8.302860      7.408218      5.758963
  H      -9.537832      5.640684      1.702490
  H      -8.304153      4.942664     -0.355519
  H      -5.833130      5.194695     -0.477116
  H      -4.569032      6.067332      1.468676
  H      -6.045409      2.370741      7.743479
  H      -6.228818      2.445273      5.979326
  H      -6.445287      4.848614      7.860524
  H      -6.535217      4.908001      6.095080
  H      -8.459709      3.279916      7.858847
  H      -8.775262      4.921610      7.341174
  H      -8.124453      2.964301      2.654762
  H     -12.576056      2.094549      3.433312
  H     -14.053443      2.190413      5.448723
  H     -13.122292      2.908638      7.645086
  H     -10.739309      3.528404      7.851293
  N      -2.842908      3.824970      3.051473
  H      -3.268692      3.457664      2.197729
  H      -2.160200      4.539316      2.784318
98
Coordinates from ORCA-job orca E -6204.282961213755
  N      -2.947411      1.485491      4.938497
  Mo     -3.419754      3.438256      4.960143
  N      -4.465093      3.296072      6.694329
  C      -3.658441      3.333002      7.901921
  C      -2.381182      2.501352      7.695349
  N      -1.628561      2.999881      6.516631
  C      -0.766552      1.994628      5.848563
  C      -1.553190      1.150458      4.805025
  C      -0.921026      4.272153      6.789101
  C      -1.276760      5.269783      5.677309
  N      -2.714787      5.231189      5.513000
  H      -1.170371      1.373424      3.787256
  H      -1.385731      0.071979      4.986489
  H       0.025292      2.550511      5.329792
  H      -0.277475      1.354516      6.602728
  H      -0.916990      6.279282      5.945868
  H      -0.760141      4.983667      4.742732
  H      -1.276991      4.669123      7.749308
  H       0.165010      4.100180      6.876964
  H      -4.211009      2.904525      8.759494
  H      -3.384992      4.367821      8.196997
  H      -2.666033      1.463713      7.478966
  H      -1.735157      2.516882      8.593435
  C      -3.909942      1.198060      3.922830
  C      -4.924261      0.107216      4.283423
  C      -6.268816      0.269415      3.543452
  C      -6.141868      0.370764      2.051511
  N      -6.213887      1.591861      1.517553
  C      -6.081258      1.698072      0.172671
  N      -5.862455      0.729139     -0.699252
  C      -5.775135     -0.533983     -0.177939
  C      -5.537489     -1.627371     -1.045252
  C      -5.448655     -2.911052     -0.538300
  C      -5.599786     -3.151576      0.844696
  C      -5.835155     -2.103246      1.713716
  C      -5.922870     -0.775601      1.226149
  C      -3.459581      6.312608      6.138020
  C      -3.595628      7.545809      5.227486
  C      -4.224747      7.224520      3.873562
  C      -5.707937      6.955744      3.891292
  N      -6.401580      7.309839      4.967452
  C      -7.747415      7.121171      4.936251
  N      -8.475639      6.638103      3.953192
  C      -7.785709      6.257086      2.831811
  C      -8.497529      5.716162      1.736007
  C      -7.826381      5.334099      0.590262
  C      -6.426705      5.485447      0.497641
  C      -5.705636      5.995683      1.560069
  C      -6.366440      6.390834      2.749621
  C      -5.878662      3.018285      6.839373
  C      -6.740934      4.286376      6.924394
  C      -8.241678      4.025609      7.000808
  C      -8.894530      3.522054      5.736951
  N      -8.161663      3.410395      4.639396
  C      -8.781399      2.991991      3.500856
  N     -10.052409      2.675467      3.347436
  C     -10.834147      2.776157      4.466555
  C     -12.211673      2.449359      4.378426
  C     -13.019991      2.540563      5.493827
  C     -12.486232      2.961573      6.733988
  C     -11.146667      3.286902      6.845600
  C     -10.292368      3.200984      5.718609
  H      -3.467113      1.043062      2.921164
  H      -4.564327      2.147110      3.780149
  H      -5.110824      0.154880      5.366024
  H      -4.474150     -0.875383      4.070346
  H      -6.923164     -0.572522      3.815826
  H      -6.747498      1.192623      3.898099
  H      -6.172560      2.715602     -0.223623
  H      -5.430466     -1.423087     -2.111094
  H      -5.264636     -3.749255     -1.211682
  H      -5.532441     -4.171531      1.227124
  H      -5.958668     -2.296197      2.779466
  H      -4.462297      5.941775      6.396537
  H      -2.974682      6.630107      7.085170
  H      -2.594339      7.974336      5.053597
  H      -4.191816      8.307398      5.752984
  H      -4.051699      8.059443      3.170930
  H      -3.713810      6.351453      3.438233
  H      -8.279187      7.418131      5.847032
  H      -9.576647      5.605500      1.830575
  H      -8.379769      4.913778     -0.250969
  H      -5.919282      5.198709     -0.426255
  H      -4.623862      6.090386      1.490649
  H      -6.054707      2.389779      7.736833
  H      -6.225147      2.434604      5.970555
  H      -6.441295      4.872066      7.808567
  H      -6.517783      4.901628      6.042295
  H      -8.467402      3.320241      7.820443
  H      -8.762790      4.958489      7.280444
  H      -8.129522      2.901389      2.626215
  H     -12.600827      2.128077      3.411217
  H     -14.080964      2.287552      5.421926
  H     -13.139455      3.029812      7.605965
  H     -10.744220      3.612669      7.805191
  N      -2.912043      3.847661      3.034603
  H      -3.343673      3.471958      2.186724
  H      -2.278200      4.605113      2.766162
98
Coordinates from ORCA-job orca E -6204.283973167567
  N      -2.941242      1.484461      4.928464
  Mo     -3.427819      3.425986      4.950085
  N      -4.468248      3.295311      6.689642
  C      -3.660702      3.336143      7.895045
  C      -2.383414      2.503630      7.690496
  N      -1.630868      2.994606      6.509214
  C      -0.767200      1.981722      5.854791
  C      -1.546971      1.145047      4.800733
  C      -0.920560      4.266472      6.773325
  C      -1.266069      5.251127      5.646462
  N      -2.703872      5.218690      5.482809
  H      -1.158212      1.368255      3.785322
  H      -1.383825      0.065073      4.977306
  H       0.040709      2.525909      5.348712
  H      -0.297838      1.335634      6.616141
  H      -0.898502      6.261425      5.900850
  H      -0.751734      4.947598      4.716676
  H      -1.281843      4.676566      7.725949
  H       0.164195      4.092145      6.871682
  H      -4.210825      2.908288      8.754589
  H      -3.388132      4.371741      8.189563
  H      -2.671596      1.465695      7.479524
  H      -1.736414      2.520248      8.587764
  C      -3.906686      1.180353      3.919105
  C      -4.911298      0.083235      4.289024
  C      -6.255203      0.242570      3.546128
  C      -6.122003      0.347467      2.054849
  N      -6.195983      1.572237      1.524358
  C      -6.054651      1.683978      0.181168
  N      -5.823806      0.719902     -0.692198
  C      -5.733387     -0.545425     -0.175074
  C      -5.481170     -1.632794     -1.043510
  C      -5.389354     -2.919032     -0.539758
  C      -5.552547     -3.166262      0.839778
  C      -5.801832     -2.123016      1.711251
  C      -5.891734     -0.793479      1.227776
  C      -3.440993      6.301032      6.116425
  C      -3.573092      7.546501      5.222233
  C      -4.224611      7.249577      3.873373
  C      -5.709552      6.986429      3.911664
  N      -6.388758      7.345527      4.996771
  C      -7.733853      7.153457      4.986058
  N      -8.474308      6.656099      4.018862
  C      -7.800951      6.270707      2.889247
  C      -8.526599      5.716129      1.809723
  C      -7.870975      5.333671      0.653964
  C      -6.475211      5.497407      0.536651
  C      -5.740602      6.019860      1.584059
  C      -6.383205      6.415752      2.783386
  C      -5.881059      3.014730      6.835237
  C      -6.743974      4.282845      6.903702
  C      -8.246394      4.026814      6.979597
  C      -8.898723      3.512051      5.720500
  N      -8.161505      3.372504      4.628572
  C      -8.781494      2.945381      3.494306
  N     -10.056919      2.647022      3.340743
  C     -10.844653      2.778275      4.452892
  C     -12.227157      2.476356      4.361589
  C     -13.040399      2.599017      5.471539
  C     -12.505892      3.026945      6.707539
  C     -11.161125      3.328960      6.821904
  C     -10.301938      3.212027      5.701009
  H      -3.465361      1.027394      2.916704
  H      -4.571904      2.118425      3.773588
  H      -5.096281      0.135983      5.371264
  H      -4.459049     -0.898668      4.079813
  H      -6.912901     -0.598040      3.815755
  H      -6.732798      1.166781      3.900254
  H      -6.148959      2.702052     -0.213909
  H      -5.365426     -1.424378     -2.107737
  H      -5.193494     -3.752585     -1.214705
  H      -5.483466     -4.187321      1.219723
  H      -5.935263     -2.321413      2.774975
  H      -4.446005      5.936295      6.372745
  H      -2.951168      6.606068      7.065068
  H      -2.569843      7.966894      5.041757
  H      -4.153706      8.307205      5.765533
  H      -4.054515      8.091842      3.180039
  H      -3.726038      6.378840      3.421319
  H      -8.253384      7.455492      5.901528
  H      -9.602517      5.597271      1.922956
  H      -8.433391      4.902872     -0.175943
  H      -5.981473      5.211588     -0.394618
  H      -4.662006      6.125625      1.492493
  H      -6.056976      2.398889      7.740508
  H      -6.226006      2.417954      5.974627
  H      -6.444050      4.877869      7.780732
  H      -6.517403      4.887320      6.015802
  H      -8.474263      3.328522      7.804605
  H      -8.763599      4.964835      7.250680
  H      -8.128195      2.830710      2.623404
  H     -12.616556      2.148826      3.397333
  H     -14.105387      2.365925      5.397603
  H     -13.162966      3.119759      7.575025
  H     -10.758393      3.661149      7.778550
  N      -3.001686      3.852161      3.015770
  H      -3.445479      3.464552      2.178620
  H      -2.418985      4.646491      2.740016
98
Coordinates from ORCA-job orca E -6204.285129846226
  N      -2.941882      1.472576      4.925460
  Mo     -3.438803      3.402990      4.933500
  N      -4.478065      3.294966      6.675626
  C      -3.669944      3.344213      7.879315
  C      -2.393512      2.507418      7.684632
  N      -1.638361      2.983013      6.498895
  C      -0.775011      1.956377      5.865908
  C      -1.549473      1.121911      4.806982
  C      -0.922388      4.254058      6.748934
  C      -1.252710      5.219774      5.600048
  N      -2.690484      5.197131      5.434652
  H      -1.153614      1.336687      3.792278
  H      -1.396461      0.041285      4.987954
  H       0.049886      2.483074      5.368962
  H      -0.327777      1.309337      6.639401
  H      -0.874377      6.230920      5.833947
  H      -0.740038      4.890605      4.678545
  H      -1.290037      4.684073      7.690257
  H       0.160567      4.076274      6.860381
  H      -4.218861      2.923091      8.742972
  H      -3.396339      4.381988      8.166553
  H      -2.686677      1.468437      7.485646
  H      -1.748606      2.530666      8.583331
  C      -3.912325      1.148980      3.924380
  C      -4.904342      0.043028      4.300704
  C      -6.246556      0.192060      3.550887
  C      -6.098399      0.315269      2.063141
  N      -6.182575      1.548712      1.550698
  C      -6.019778      1.680663      0.213546
  N      -5.756542      0.732538     -0.669268
  C      -5.655793     -0.539275     -0.170511
  C      -5.367139     -1.608882     -1.048878
  C      -5.263561     -2.901999     -0.564074
  C      -5.450957     -3.171902      0.806091
  C      -5.735001     -2.145033      1.689068
  C      -5.837237     -0.809284      1.224956
  C      -3.414526      6.283224      6.077114
  C      -3.542195      7.540721      5.199419
  C      -4.226946      7.271348      3.861459
  C      -5.712288      7.015481      3.932698
  N      -6.367059      7.378939      5.032440
  C      -7.710932      7.182319      5.054023
  N      -8.472890      6.669207      4.109069
  C      -7.826314      6.281279      2.965955
  C      -8.574953      5.712480      1.908698
  C      -7.943283      5.328191      0.739735
  C      -6.550908      5.503707      0.587234
  C      -5.794599      6.040526      1.611733
  C      -6.410191      6.438724      2.824724
  C      -5.891838      3.022800      6.823145
  C      -6.750185      4.295632      6.870087
  C      -8.254632      4.048252      6.955933
  C      -8.911262      3.512469      5.707337
  N      -8.172457      3.329077      4.622261
  C      -8.796347      2.882485      3.497356
  N     -10.077130      2.604448      3.346394
  C     -10.867090      2.782772      4.450492
  C     -12.254707      2.509649      4.359786
  C     -13.069903      2.683646      5.461871
  C     -12.531533      3.133946      6.688382
  C     -11.181080      3.407589      6.802663
  C     -10.319974      3.239565      5.689840
  H      -3.470704      0.994729      2.921846
  H      -4.585619      2.074866      3.771134
  H      -5.091170      0.099503      5.382169
  H      -4.445087     -0.935713      4.095101
  H      -6.903290     -0.652891      3.805335
  H      -6.731509      1.111010      3.907596
  H      -6.122998      2.702422     -0.168827
  H      -5.232897     -1.383133     -2.106524
  H      -5.038668     -3.722135     -1.248019
  H      -5.372749     -4.197163      1.171692
  H      -5.885772     -2.361466      2.746170
  H      -4.421736      5.927767      6.336201
  H      -2.915823      6.575528      7.024762
  H      -2.537899      7.950808      5.004987
  H      -4.101135      8.300400      5.765675
  H      -4.064082      8.121668      3.176535
  H      -3.746557      6.402990      3.387845
  H      -8.210929      7.488683      5.978238
  H      -9.648427      5.585430      2.048943
  H      -8.521240      4.885663     -0.073627
  H      -6.075227      5.214822     -0.351854
  H      -4.718601      6.156471      1.488403
  H      -6.070597      2.425583      7.739943
  H      -6.239647      2.410949      5.974241
  H      -6.441415      4.905781      7.733846
  H      -6.524243      4.882197      5.969350
  H      -8.482981      3.364475      7.793790
  H      -8.763155      4.994679      7.211133
  H      -8.144847      2.735230      2.630577
  H     -12.647253      2.163790      3.402299
  H     -14.139060      2.474254      5.388252
  H     -13.190156      3.267375      7.549108
  H     -10.775248      3.758214      7.752311
  N      -3.102266      3.828293      2.989349
  H      -3.565106      3.426532      2.169180
  H      -2.566977      4.647938      2.699535
98
Coordinates from ORCA-job orca E -6204.286418911276
  N      -2.944643      1.464316      4.930909
  Mo     -3.451938      3.384296      4.923121
  N      -4.490168      3.300280      6.665913
  C      -3.679994      3.358574      7.868042
  C      -2.405615      2.517783      7.684875
  N      -1.647946      2.975473      6.493899
  C      -0.786189      1.934204      5.882751
  C      -1.555978      1.100229      4.821470
  C      -0.925932      4.245909      6.727574
  C      -1.239819      5.189061      5.554979
  N      -2.677636      5.180060      5.386789
  H      -1.152422      1.304610      3.807401
  H      -1.415556      0.019765      5.010758
  H       0.053629      2.443359      5.393316
  H      -0.360784      1.289436      6.669735
  H      -0.850014      6.200723      5.764993
  H      -0.729522      4.829594      4.643644
  H      -1.300057      4.697863      7.656226
  H       0.154773      4.064319      6.852229
  H      -4.228170      2.945264      8.735360
  H      -3.405577      4.398312      8.146261
  H      -2.702491      1.477533      7.499318
  H      -1.763754      2.550925      8.585444
  C      -3.922332      1.120130      3.940748
  C      -4.897576      0.002421      4.319813
  C      -6.238118      0.141025      3.564065
  C      -6.072668      0.288160      2.079010
  N      -6.156441      1.532488      1.589384
  C      -5.968054      1.691499      0.259872
  N      -5.680307      0.763022     -0.636437
  C      -5.583286     -0.518256     -0.161518
  C      -5.272776     -1.567041     -1.055020
  C      -5.174476     -2.870007     -0.597256
  C      -5.387969     -3.169264      0.762083
  C      -5.691736     -2.162081      1.661596
  C      -5.790413     -0.817013      1.224458
  C      -3.384481      6.275292      6.032824
  C      -3.496598      7.538103      5.160164
  C      -4.209917      7.290659      3.832721
  C      -5.696298      7.052289      3.932363
  N      -6.325369      7.431612      5.042913
  C      -7.668551      7.236905      5.098371
  N      -8.453519      6.704396      4.180339
  C      -7.834868      6.304866      3.026356
  C      -8.608829      5.718118      1.996160
  C      -8.005687      5.324548      0.816366
  C      -6.617903      5.509061      0.624014
  C      -5.836037      6.061500      1.620809
  C      -6.420996      6.468185      2.846708
  C      -5.903411      3.032585      6.818678
  C      -6.766433      4.303220      6.851573
  C      -8.270650      4.052154      6.946716
  C      -8.926455      3.498588      5.705894
  N      -8.182466      3.281655      4.629705
  C      -8.804765      2.817726      3.511556
  N     -10.087781      2.551029      3.356914
  C     -10.881815      2.765959      4.451283
  C     -12.271320      2.512821      4.355892
  C     -13.092111      2.728546      5.446060
  C     -12.557157      3.199742      6.666064
  C     -11.204271      3.452931      6.786001
  C     -10.337741      3.243909      5.684596
  H      -3.481775      0.964540      2.937130
  H      -4.603149      2.033371      3.781217
  H      -5.086691      0.057556      5.401252
  H      -4.427939     -0.970987      4.113146
  H      -6.892279     -0.710684      3.800833
  H      -6.732789      1.053678      3.925320
  H      -6.070683      2.720080     -0.104474
  H      -5.118649     -1.317897     -2.104702
  H      -4.933678     -3.674037     -1.294352
  H      -5.314455     -4.201235      1.107090
  H      -5.862200     -2.402041      2.710695
  H      -4.395474      5.934817      6.296323
  H      -2.878284      6.558204      6.978641
  H      -2.488921      7.931256      4.952326
  H      -4.031836      8.303575      5.740707
  H      -4.048655      8.144424      3.150340
  H      -3.750779      6.419405      3.344356
  H      -8.148884      7.555546      6.028964
  H      -9.679508      5.585955      2.166519
  H      -8.602637      4.868455      0.024215
  H      -6.163333      5.213004     -0.321950
  H      -4.763616      6.184816      1.462421
  H      -6.078404      2.449498      7.745398
  H      -6.253526      2.406766      5.980882
  H      -6.452852      4.926254      7.704780
  H      -6.547950      4.878408      5.941460
  H      -8.494767      3.377590      7.793238
  H      -8.778314      5.001181      7.189816
  H      -8.151157      2.646869      2.651560
  H     -12.661729      2.150227      3.403339
  H     -14.162976      2.536225      5.367868
  H     -13.220005      3.366267      7.516774
  H     -10.800776      3.820528      7.730581
  N      -3.218509      3.806163      2.969717
  H      -3.708042      3.391249      2.172053
  H      -2.730864      4.647368      2.661130
98
Coordinates from ORCA-job orca E -6204.287862076469
  N      -2.946109      1.452291      4.938660
  Mo     -3.459681      3.364936      4.911448
  N      -4.502563      3.310340      6.649263
  C      -3.692299      3.378644      7.852466
  C      -2.422538      2.529609      7.686613
  N      -1.657435      2.964360      6.491144
  C      -0.798181      1.906188      5.904943
  C      -1.562613      1.071451      4.842260
  C      -0.927593      4.233621      6.706379
  C      -1.221676      5.152121      5.509376
  N      -2.659277      5.160317      5.335505
  H      -1.146956      1.262477      3.830716
  H      -1.438005     -0.008064      5.043782
  H       0.056654      2.397115      5.423696
  H      -0.396788      1.266553      6.707604
  H      -0.819941      6.163453      5.694963
  H      -0.713458      4.760511      4.610221
  H      -1.308432      4.709053      7.620710
  H       0.150149      4.046367      6.845566
  H      -4.244931      2.978508      8.722568
  H      -3.414261      4.420063      8.117731
  H      -2.723864      1.488344      7.515606
  H      -1.786288      2.574354      8.590513
  C      -3.930360      1.087623      3.959110
  C      -4.888501     -0.042263      4.338969
  C      -6.227761      0.085085      3.578585
  C      -6.047192      0.262364      2.097073
  N      -6.135729      1.517231      1.633378
  C      -5.923878      1.707277      0.312777
  N      -5.609101      0.802008     -0.599207
  C      -5.510282     -0.488870     -0.151254
  C      -5.173884     -1.514381     -1.061931
  C      -5.073807     -2.827126     -0.634628
  C      -5.310473     -3.158885      0.713141
  C      -5.638132     -2.174251      1.630290
  C      -5.740194     -0.820228      1.223492
  C      -3.349064      6.265211      5.985200
  C      -3.450209      7.531284      5.115305
  C      -4.194866      7.303008      3.801390
  C      -5.680875      7.081620      3.935398
  N      -6.276633      7.479578      5.058203
  C      -7.617534      7.287039      5.157197
  N      -8.429862      6.732230      4.274702
  C      -7.846148      6.318488      3.107740
  C      -8.650637      5.709695      2.113364
  C      -8.085527      5.302472      0.921010
  C      -6.706011      5.497226      0.676681
  C      -5.892980      6.069104      1.637079
  C      -6.438689      6.487381      2.878072
  C      -5.917091      3.052957      6.803764
  C      -6.781168      4.323714      6.816607
  C      -8.284484      4.072149      6.922330
  C      -8.941533      3.498322      5.691488
  N      -8.194381      3.247396      4.624155
  C      -8.816507      2.764293      3.514385
  N     -10.101211      2.506268      3.357049
  C     -10.896214      2.757048      4.442800
  C     -12.287176      2.518935      4.345684
  C     -13.111388      2.773544      5.424187
  C     -12.578637      3.268906      6.636127
  C     -11.223989      3.507259      6.758635
  C     -10.354253      3.259209      5.667946
  H      -3.490813      0.928330      2.954963
  H      -4.616470      1.989798      3.793467
  H      -5.080407      0.007741      5.420876
  H      -4.406520     -1.009144      4.128575
  H      -6.873581     -0.777663      3.795667
  H      -6.737184      0.986700      3.947923
  H      -6.030475      2.742934     -0.030000
  H      -5.001933     -1.238664     -2.102511
  H      -4.813811     -3.613065     -1.345997
  H      -5.235920     -4.197694      1.035082
  H      -5.825418     -2.440272      2.670505
  H      -4.362389      5.937947      6.256862
  H      -2.834555      6.540423      6.928302
  H      -2.440660      7.909003      4.890433
  H      -3.962080      8.302216      5.709302
  H      -4.039231      8.159914      3.120299
  H      -3.758226      6.430071      3.296379
  H      -8.071971      7.620715      6.095773
  H      -9.715116      5.571257      2.323102
  H      -8.706796      4.829077      0.158261
  H      -6.279833      5.192257     -0.279108
  H      -4.827227      6.200559      1.436002
  H      -6.092241      2.486167      7.741024
  H      -6.268349      2.413263      5.977073
  H      -6.463069      4.962611      7.657162
  H      -6.569610      4.883545      5.894763
  H      -8.506007      3.411412      7.780452
  H      -8.790596      5.024748      7.149758
  H      -8.160651      2.570080      2.661654
  H     -12.676454      2.137380      3.399676
  H     -14.183446      2.593610      5.343280
  H     -13.243975      3.466235      7.477507
  H     -10.821840      3.893793      7.696537
  N      -3.335065      3.780752      2.953552
  H      -3.854277      3.351709      2.183054
  H      -2.894825      4.639489      2.623788
98
Coordinates from ORCA-job orca E -6204.289501243856
  N      -2.945820      1.437904      4.956251
  Mo     -3.460657      3.350945      4.907916
  N      -4.517005      3.327582      6.628918
  C      -3.709626      3.404249      7.838615
  C      -2.448077      2.543753      7.697124
  N      -1.669025      2.951999      6.499660
  C      -0.812232      1.875959      5.940132
  C      -1.569902      1.037857      4.877332
  C      -0.930009      4.219641      6.695622
  C      -1.200844      5.112728      5.475886
  N      -2.637707      5.143890      5.292033
  H      -1.135627      1.213558      3.871379
  H      -1.463852     -0.039683      5.096109
  H       0.055461      2.352274      5.467480
  H      -0.435199      1.246032      6.761081
  H      -0.787881      6.123064      5.638267
  H      -0.694562      4.688865      4.589907
  H      -1.317760      4.718236      7.594863
  H       0.143769      4.024005      6.850186
  H      -4.275449      3.022381      8.707560
  H      -3.425610      4.446213      8.087797
  H      -2.751960      1.501446      7.539186
  H      -1.821457      2.602437      8.606781
  C      -3.934416      1.054593      3.985960
  C      -4.872664     -0.092070      4.358476
  C      -6.211595      0.019069      3.595264
  C      -6.022097      0.233598      2.116368
  N      -6.121135      1.497812      1.680175
  C      -5.895648      1.723425      0.367786
  N      -5.560962      0.844439     -0.564459
  C      -5.455623     -0.456510     -0.145573
  C      -5.104405     -1.457620     -1.079228
  C      -4.998469     -2.780344     -0.686572
  C      -5.242365     -3.147650      0.652561
  C      -5.583416     -2.187555      1.590993
  C      -5.694083     -0.824538      1.218494
  C      -3.311372      6.262108      5.941106
  C      -3.399341      7.525108      5.064397
  C      -4.170471      7.310630      3.762947
  C      -5.656402      7.111504      3.925994
  N      -6.216318      7.533187      5.057533
  C      -7.554551      7.350562      5.201148
  N      -8.395157      6.777460      4.357261
  C      -7.846726      6.344681      3.179436
  C      -8.683191      5.715759      2.224494
  C      -8.161209      5.286390      1.022827
  C      -6.791313      5.482734      0.723195
  C      -5.945589      6.073424      1.643096
  C      -6.449615      6.508851      2.897129
  C      -5.934582      3.085282      6.781399
  C      -6.797287      4.356334      6.776296
  C      -8.297088      4.101327      6.891534
  C      -8.956340      3.509484      5.670765
  N      -8.208606      3.235848      4.609056
  C      -8.830638      2.733528      3.508247
  N     -10.114500      2.469944      3.351163
  C     -10.905834      2.743209      4.433642
  C     -12.296493      2.501105      4.342251
  C     -13.121459      2.777818      5.412804
  C     -12.591102      3.301342      6.615423
  C     -11.237053      3.543853      6.732941
  C     -10.367004      3.272131      5.648509
  H      -3.496584      0.891367      2.981162
  H      -4.622763      1.949410      3.818881
  H      -5.069290     -0.058044      5.441756
  H      -4.371281     -1.048101      4.137310
  H      -6.836227     -0.864051      3.792357
  H      -6.747022      0.901042      3.977299
  H      -6.009159      2.767088      0.051025
  H      -4.927111     -1.151274     -2.111520
  H      -4.729208     -3.546997     -1.415665
  H      -5.163426     -4.194057      0.948028
  H      -5.775994     -2.482406      2.623450
  H      -4.326804      5.947761      6.222846
  H      -2.791828      6.534100      6.882195
  H      -2.386542      7.884395      4.822912
  H      -3.890526      8.306291      5.663094
  H      -4.019108      8.168809      3.080664
  H      -3.755856      6.435673      3.243010
  H      -7.981549      7.704469      6.146029
  H      -9.739711      5.577530      2.475898
  H      -8.810665      4.795992      0.295629
  H      -6.396185      5.163262     -0.242358
  H      -4.887691      6.207280      1.400419
  H      -6.111504      2.530338      7.726507
  H      -6.285877      2.437094      5.962028
  H      -6.479513      5.008900      7.607290
  H      -6.593283      4.903833      5.845077
  H      -8.514765      3.454018      7.760206
  H      -8.807050      5.054009      7.105382
  H      -8.170590      2.525683      2.661902
  H     -12.684628      2.098233      3.404468
  H     -14.193219      2.593992      5.334233
  H     -13.256622      3.516477      7.451300
  H     -10.836266      3.951112      7.662602
  N      -3.450146      3.761762      2.951516
  H      -4.004339      3.318533      2.216292
  H      -3.053985      4.630658      2.593322
98
Coordinates from ORCA-job orca E -6204.291124762760
  N      -2.947084      1.426008      4.959272
  Mo     -3.467379      3.336452      4.898125
  N      -4.529320      3.340107      6.609389
  C      -3.723031      3.423263      7.821974
  C      -2.466753      2.554124      7.696205
  N      -1.679236      2.941541      6.496298
  C      -0.824025      1.851519      5.959193
  C      -1.575801      1.012467      4.893735
  C      -0.932744      4.207271      6.675483
  C      -1.185046      5.076174      5.435738
  N      -2.620862      5.125757      5.245290
  H      -1.128408      1.176633      3.891788
  H      -1.482280     -0.064139      5.122305
  H       0.056156      2.314549      5.496767
  H      -0.468170      1.226691      6.793094
  H      -0.759729      6.084613      5.576515
  H      -0.683407      4.624762      4.560959
  H      -1.325856      4.726272      7.560810
  H       0.137690      4.005812      6.844578
  H      -4.296752      3.054149      8.691101
  H      -3.434746      4.466085      8.060424
  H      -2.773772      1.510966      7.549864
  H      -1.844671      2.622585      8.608235
  C      -3.939511      1.023569      4.000339
  C      -4.859549     -0.137061      4.374781
  C      -6.199360     -0.039465      3.611719
  C      -6.004260      0.204634      2.137495
  N      -6.115419      1.475226      1.722015
  C      -5.877718      1.726341      0.416637
  N      -5.522000      0.868018     -0.528089
  C      -5.406527     -0.438891     -0.130690
  C      -5.034615     -1.419796     -1.078376
  C      -4.917218     -2.748616     -0.709106
  C      -5.169334     -3.141833      0.621301
  C      -5.530444     -2.201469      1.572986
  C      -5.654161     -0.833542      1.224152
  C      -3.279889      6.252543      5.898204
  C      -3.355452      7.519396      5.027263
  C      -4.153141      7.327299      3.738674
  C      -5.637474      7.141954      3.931859
  N      -6.166761      7.574986      5.073425
  C      -7.500379      7.395651      5.254240
  N      -8.362199      6.809436      4.441045
  C      -7.844852      6.368283      3.252277
  C      -8.704859      5.724330      2.329026
  C      -8.217351      5.286335      1.116795
  C      -6.859296      5.492169      0.772300
  C      -5.990218      6.096451      1.660889
  C      -6.458485      6.535892      2.927074
  C      -5.949389      3.107665      6.759118
  C      -6.809101      4.380065      6.736335
  C      -8.307682      4.125018      6.857503
  C      -8.968575      3.517707      5.645355
  N      -8.219852      3.223616      4.589062
  C      -8.841640      2.705902      3.495941
  N     -10.125988      2.441131      3.341224
  C     -10.917187      2.734927      4.418958
  C     -12.308666      2.493976      4.331155
  C     -13.134786      2.791902      5.394958
  C     -12.605325      3.336810      6.588576
  C     -11.250678      3.578682      6.702587
  C     -10.379583      3.284894      5.624489
  H      -3.505913      0.860739      2.993601
  H      -4.636736      1.909541      3.833993
  H      -5.054608     -0.112165      5.459025
  H      -4.345620     -1.085130      4.146583
  H      -6.807200     -0.937434      3.792851
  H      -6.753678      0.825724      4.005092
  H      -5.999485      2.773956      0.116761
  H      -4.850838     -1.091747     -2.103049
  H      -4.632354     -3.499602     -1.448944
  H      -5.081246     -4.192427      0.898675
  H      -5.728633     -2.517208      2.598327
  H      -4.298397      5.950459      6.183602
  H      -2.755379      6.514740      6.839383
  H      -2.340023      7.861923      4.772043
  H      -3.823930      8.306196      5.637078
  H      -4.006094      8.191004      3.062101
  H      -3.759232      6.454699      3.199970
  H      -7.902898      7.759536      6.205940
  H      -9.752022      5.581477      2.614296
  H      -8.886014      4.783421      0.416124
  H      -6.490782      5.169187     -0.202437
  H      -4.942213      6.239030      1.383461
  H      -6.129455      2.564713      7.710514
  H      -6.300111      2.450711      5.946769
  H      -6.491439      5.043918      7.558449
  H      -6.607304      4.915725      5.797732
  H      -8.522781      3.487963      7.734301
  H      -8.819669      5.078689      7.061393
  H      -8.178864      2.484268      2.654569
  H     -12.696324      2.074715      3.400601
  H     -14.206964      2.608770      5.318170
  H     -13.271436      3.568871      7.419517
  H     -10.850439      4.002239      7.624891
  N      -3.573922      3.746533      2.952410
  H      -4.161464      3.290194      2.250450
  H      -3.225849      4.628738      2.576582
98
Coordinates from ORCA-job orca E -6204.292676976187
  N      -2.936366      1.416512      4.958876
  Mo     -3.456873      3.344600      4.912877
  N      -4.529701      3.351969      6.596455
  C      -3.730488      3.427776      7.820898
  C      -2.480147      2.550894      7.703187
  N      -1.680706      2.933058      6.507929
  C      -0.820911      1.839902      5.975464
  C      -1.566314      1.002009      4.900995
  C      -0.931679      4.198097      6.683756
  C      -1.174165      5.060005      5.441627
  N      -2.608963      5.128417      5.246321
  H      -1.104529      1.169779      3.905992
  H      -1.470944     -0.076710      5.127664
  H       0.061901      2.311605      5.525265
  H      -0.471678      1.214141      6.813203
  H      -0.740881      6.066877      5.577246
  H      -0.680027      4.603180      4.565736
  H      -1.327002      4.720442      7.565659
  H       0.135969      3.989632      6.861304
  H      -4.323620      3.067343      8.680739
  H      -3.438790      4.469273      8.057635
  H      -2.782365      1.506529      7.552201
  H      -1.862121      2.620033      8.618005
  C      -3.923557      1.005322      4.007089
  C      -4.825061     -0.176305      4.377505
  C      -6.173397     -0.099727      3.630093
  C      -6.009098      0.162518      2.156602
  N      -6.152919      1.427996      1.739666
  C      -5.944318      1.683605      0.426222
  N      -5.595277      0.830094     -0.526855
  C      -5.447055     -0.474421     -0.127692
  C      -5.081736     -1.453780     -1.084961
  C      -4.930605     -2.781085     -0.711881
  C      -5.140110     -3.174714      0.629171
  C      -5.495924     -2.236834      1.585030
  C      -5.654886     -0.872563      1.234313
  C      -3.267684      6.258271      5.906144
  C      -3.339522      7.525818      5.040588
  C      -4.142141      7.353636      3.753264
  C      -5.629974      7.177969      3.942429
  N      -6.155176      7.607112      5.084395
  C      -7.488527      7.441194      5.263167
  N      -8.349548      6.872526      4.443931
  C      -7.832784      6.433094      3.252528
  C      -8.692998      5.798736      2.325769
  C      -8.210954      5.354961      1.111090
  C      -6.855198      5.551401      0.767886
  C      -5.988150      6.149891      1.662719
  C      -6.454499      6.585746      2.929341
  C      -5.955796      3.124306      6.727875
  C      -6.801043      4.402291      6.703504
  C      -8.297004      4.144431      6.814826
  C      -8.962842      3.545105      5.601246
  N      -8.222066      3.272192      4.534142
  C      -8.845993      2.760128      3.440824
  N     -10.127385      2.474982      3.301493
  C     -10.911916      2.741319      4.392854
  C     -12.302169      2.466487      4.325834
  C     -13.119866      2.730560      5.405220
  C     -12.585174      3.279029      6.594402
  C     -11.233864      3.555509      6.685414
  C     -10.370663      3.291824      5.592815
  H      -3.501109      0.854126      2.995281
  H      -4.629844      1.892116      3.862664
  H      -5.011131     -0.175236      5.463369
  H      -4.294619     -1.111326      4.130944
  H      -6.738995     -1.025989      3.814256
  H      -6.757257      0.735616      4.043377
  H      -6.087344      2.728948      0.126549
  H      -4.930727     -1.122583     -2.114939
  H      -4.651833     -3.531073     -1.455015
  H      -5.024335     -4.224459      0.907349
  H      -5.661712     -2.553374      2.616702
  H      -4.288108      5.956698      6.189955
  H      -2.744848      6.514627      6.851581
  H      -2.318155      7.854728      4.784717
  H      -3.800660      8.319515      5.648554
  H      -3.990235      8.225975      3.091971
  H      -3.755308      6.490867      3.195038
  H      -7.884072      7.803397      6.218211
  H      -9.734806      5.664651      2.610654
  H      -8.884009      4.855202      0.412298
  H      -6.491114      5.226064     -0.211079
  H      -4.942631      6.289988      1.395846
  H      -6.148833      2.570836      7.669126
  H      -6.298065      2.479849      5.902945
  H      -6.498696      5.059540      7.534477
  H      -6.587746      4.944479      5.772838
  H      -8.508479      3.500754      7.686877
  H      -8.823460      5.090374      7.030922
  H      -8.180295      2.556586      2.593633
  H     -12.692808      2.045614      3.399351
  H     -14.190006      2.517674      5.344877
  H     -13.243926      3.484910      7.440088
  H     -10.829829      3.979100      7.603840
  N      -3.678947      3.782384      2.989712
  H      -4.306221      3.311611      2.327004
  H      -3.376020      4.673588      2.590456
98
Coordinates from ORCA-job orca E -6204.294590597990
  N      -2.926754      1.416007      4.947469
  Mo     -3.465933      3.330450      4.898798
  N      -4.536173      3.350687      6.583181
  C      -3.740541      3.431309      7.806615
  C      -2.485715      2.558395      7.695469
  N      -1.686299      2.934837      6.498739
  C      -0.821398      1.837567      5.985693
  C      -1.555259      0.998375      4.904599
  C      -0.938811      4.201175      6.667329
  C      -1.166627      5.042906      5.406362
  N      -2.599633      5.113790      5.199829
  H      -1.085760      1.158267      3.911512
  H      -1.464382     -0.079871      5.134196
  H       0.072993      2.298651      5.547719
  H      -0.489051      1.211886      6.829744
  H      -0.724932      6.048241      5.524980
  H      -0.671087      4.567111      4.542331
  H      -1.344459      4.737844      7.535712
  H       0.126604      3.997380      6.862644
  H      -4.331010      3.070045      8.668176
  H      -3.453427      4.474951      8.042253
  H      -2.787887      1.512866      7.553579
  H      -1.869140      2.633565      8.611057
  C      -3.915236      0.983294      4.004609
  C      -4.799244     -0.208191      4.384447
  C      -6.148336     -0.138495      3.633938
  C      -5.977977      0.137858      2.164392
  N      -6.123905      1.410938      1.761178
  C      -5.910700      1.680040      0.452360
  N      -5.554939      0.837679     -0.505973
  C      -5.404218     -0.471599     -0.121587
  C      -5.032377     -1.436794     -1.085595
  C      -4.879600     -2.769010     -0.725569
  C      -5.094712     -3.178353      0.606578
  C      -5.457720     -2.253271      1.571749
  C      -5.617849     -0.884783      1.235100
  C      -3.252946      6.242552      5.864705
  C      -3.318643      7.523484      5.019137
  C      -4.144403      7.376929      3.743734
  C      -5.628386      7.195364      3.964272
  N      -6.134212      7.623496      5.117625
  C      -7.461556      7.446208      5.323919
  N      -8.334467      6.862371      4.525277
  C      -7.841619      6.423608      3.324652
  C      -8.714970      5.774657      2.419752
  C      -8.252206      5.336056      1.193954
  C      -6.907715      5.551667      0.820969
  C      -6.028291      6.163691      1.695023
  C      -6.468808      6.595570      2.971928
  C      -5.962492      3.122731      6.709728
  C      -6.801860      4.404437      6.674379
  C      -8.301457      4.159307      6.791387
  C      -8.967172      3.546044      5.585302
  N      -8.221877      3.234748      4.532009
  C      -8.845270      2.704844      3.446566
  N     -10.130759      2.437079      3.306477
  C     -10.922922      2.744756      4.381323
  C     -12.316567      2.493057      4.307430
  C     -13.139001      2.801128      5.373366
  C     -12.604091      3.370057      6.551709
  C     -11.248423      3.624358      6.649396
  C     -10.380433      3.316946      5.572084
  H      -3.495503      0.841294      2.989489
  H      -4.639813      1.852224      3.863085
  H      -4.980488     -0.202844      5.470274
  H      -4.265228     -1.140087      4.139135
  H      -6.713402     -1.066807      3.806325
  H      -6.735837      0.692206      4.052213
  H      -6.056990      2.727211      0.159233
  H      -4.876912     -1.094963     -2.110336
  H      -4.594975     -3.508260     -1.475258
  H      -4.978059     -4.230706      0.874468
  H      -5.627790     -2.582206      2.597892
  H      -4.276254      5.948287      6.141761
  H      -2.728430      6.484737      6.812176
  H      -2.298652      7.846734      4.754747
  H      -3.761048      8.311981      5.645776
  H      -4.001236      8.259824      3.095981
  H      -3.767972      6.523600      3.166475
  H      -7.840832      7.810635      6.284181
  H      -9.749328      5.627747      2.727272
  H      -8.930957      4.824415      0.509154
  H      -6.561993      5.230378     -0.164352
  H      -4.992470      6.319897      1.399343
  H      -6.160670      2.578871      7.654413
  H      -6.303960      2.471592      5.889695
  H      -6.490161      5.068337      7.495841
  H      -6.585952      4.934163      5.737118
  H      -8.516183      3.525937      7.671152
  H      -8.816933      5.112994      6.996135
  H      -8.179925      2.466577      2.609850
  H     -12.707101      2.054837      3.388320
  H     -14.212108      2.607008      5.308897
  H     -13.266529      3.610463      7.385400
  H     -10.844235      4.065048      7.560522
  N      -3.793559      3.765017      2.998635
  H      -4.440584      3.283676      2.363642
  H      -3.539358      4.669057      2.603095
98
Coordinates from ORCA-job orca E -6204.296546481640
  N      -2.924311      1.417429      4.933105
  Mo     -3.483172      3.320937      4.903303
  N      -4.539420      3.338243      6.593741
  C      -3.745839      3.418091      7.813820
  C      -2.485752      2.552783      7.697425
  N      -1.694415      2.934544      6.498138
  C      -0.823697      1.840354      5.989674
  C      -1.549341      1.001516      4.903185
  C      -0.950919      4.203728      6.666716
  C      -1.170995      5.034357      5.395080
  N      -2.603282      5.104572      5.177612
  H      -1.075913      1.158194      3.911541
  H      -1.457944     -0.076498      5.131304
  H       0.074333      2.299410      5.558288
  H      -0.495214      1.211313      6.831979
  H      -0.722849      6.038149      5.502787
  H      -0.672940      4.548462      4.538922
  H      -1.364202      4.746579      7.527985
  H       0.114222      4.007023      6.873823
  H      -4.329932      3.051107      8.677653
  H      -3.464018      4.463734      8.051554
  H      -2.785815      1.505973      7.560285
  H      -1.865348      2.630152      8.610390
  C      -3.914600      0.966992      3.997632
  C      -4.778086     -0.235729      4.384720
  C      -6.130120     -0.173020      3.633602
  C      -5.955837      0.114868      2.168042
  N      -6.101668      1.394542      1.779359
  C      -5.890280      1.673593      0.474214
  N      -5.535363      0.840156     -0.488911
  C      -5.381526     -0.472658     -0.119731
  C      -5.006515     -1.424305     -1.090081
  C      -4.847055     -2.758553     -0.741865
  C      -5.060189     -3.180295      0.581653
  C      -5.429291     -2.267694      1.556263
  C      -5.594973     -0.897121      1.232249
  C      -3.253915      6.234476      5.837876
  C      -3.306859      7.520630      4.998030
  C      -4.138555      7.389159      3.724631
  C      -5.622024      7.204483      3.953576
  N      -6.127954      7.630118      5.110192
  C      -7.457951      7.458019      5.313820
  N      -8.335699      6.883024      4.510222
  C      -7.846305      6.442297      3.310856
  C      -8.723865      5.801350      2.403856
  C      -8.258209      5.366311      1.177214
  C      -6.910857      5.574735      0.809762
  C      -6.028411      6.179530      1.685872
  C      -6.465001      6.610435      2.963236
  C      -5.964035      3.103012      6.719877
  C      -6.797204      4.388766      6.693400
  C      -8.301730      4.158993      6.813363
  C      -8.965160      3.542515      5.608494
  N      -8.214008      3.210875      4.565968
  C      -8.834528      2.671179      3.482613
  N     -10.122295      2.415761      3.339171
  C     -10.923991      2.746184      4.399839
  C     -12.318144      2.506747      4.316141
  C     -13.146720      2.837941      5.373071
  C     -12.615215      3.417613      6.546038
  C     -11.257482      3.661094      6.653151
  C     -10.383159      3.330116      5.587731
  H      -3.505542      0.844894      2.974669
  H      -4.661782      1.814525      3.877407
  H      -4.949234     -0.230133      5.471311
  H      -4.241762     -1.163652      4.135038
  H      -6.689541     -1.105818      3.791952
  H      -6.725367      0.648487      4.059946
  H      -6.035777      2.721828      0.186834
  H      -4.850883     -1.075297     -2.110255
  H      -4.557149     -3.487828     -1.498458
  H      -4.937627     -4.233130      0.840596
  H      -5.596435     -2.606160      2.577696
  H      -4.280500      5.948885      6.106184
  H      -2.731213      6.471090      6.786275
  H      -2.285122      7.834382      4.732846
  H      -3.735737      8.311651      5.629580
  H      -3.996975      8.281838      3.090527
  H      -3.758739      6.545380      3.135901
  H      -7.835687      7.823312      6.273694
  H      -9.763108      5.661117      2.706474
  H      -8.934923      4.860312      0.486560
  H      -6.567836      5.254552     -0.173623
  H      -4.990949      6.332391      1.387543
  H      -6.162643      2.553052      7.660420
  H      -6.305642      2.457264      5.895779
  H      -6.474257      5.048823      7.514143
  H      -6.577685      4.916414      5.755067
  H      -8.522795      3.528992      7.695325
  H      -8.802870      5.119678      7.014654
  H      -8.168986      2.409763      2.654899
  H     -12.705935      2.058970      3.399658
  H     -14.220808      2.653550      5.303253
  H     -13.282783      3.676242      7.370287
  H     -10.855845      4.111993      7.561608
  N      -3.928315      3.763652      3.029441
  H      -4.595288      3.271374      2.424148
  H      -3.726185      4.681084      2.640629
98
Coordinates from ORCA-job orca E -6204.298485021843
  N      -2.909433      1.426384      4.912481
  Mo     -3.489236      3.322906      4.910777
  N      -4.534934      3.330709      6.597921
  C      -3.743909      3.405554      7.819670
  C      -2.480060      2.548363      7.697105
  N      -1.695932      2.938745      6.496518
  C      -0.817825      1.850027      5.987632
  C      -1.533113      1.014544      4.891787
  C      -0.958400      4.211464      6.667115
  C      -1.171888      5.034708      5.389294
  N      -2.603501      5.105488      5.162483
  H      -1.054402      1.175829      3.903309
  H      -1.438993     -0.064535      5.114176
  H       0.082508      2.312760      5.565420
  H      -0.493613      1.216309      6.828046
  H      -0.721157      6.037861      5.490275
  H      -0.671335      4.542908      4.537992
  H      -1.380290      4.756420      7.522976
  H       0.105877      4.021535      6.884208
  H      -4.326081      3.031619      8.680942
  H      -3.467753      4.451188      8.062384
  H      -2.775165      1.500440      7.558209
  H      -1.857356      2.625357      8.608598
  C      -3.899588      0.957239      3.985384
  C      -4.737014     -0.262918      4.375745
  C      -6.097343     -0.217969      3.635132
  C      -5.939419      0.075468      2.168595
  N      -6.102466      1.356053      1.782961
  C      -5.908642      1.636527      0.475140
  N      -5.557212      0.806477     -0.491863
  C      -5.384661     -0.506249     -0.126148
  C      -5.009810     -1.453219     -1.100525
  C      -4.831676     -2.786597     -0.753586
  C      -5.026519     -3.210401      0.571455
  C      -5.394911     -2.301857      1.551091
  C      -5.578638     -0.932427      1.228837
  C      -3.256869      6.233045      5.824922
  C      -3.304381      7.528118      4.997911
  C      -4.142861      7.416924      3.726437
  C      -5.624203      7.223964      3.965977
  N      -6.121028      7.643373      5.129214
  C      -7.447913      7.466011      5.345153
  N      -8.330169      6.889221      4.548839
  C      -7.851794      6.450158      3.344837
  C      -8.734927      5.804146      2.447603
  C      -8.279170      5.369749      1.216423
  C      -6.936820      5.582073      0.836217
  C      -6.050018      6.195071      1.701845
  C      -6.474220      6.626855      2.983593
  C      -5.960287      3.090189      6.716980
  C      -6.789103      4.379446      6.692089
  C      -8.296654      4.161224      6.807664
  C      -8.958713      3.547697      5.600081
  N      -8.203956      3.200824      4.565524
  C      -8.822212      2.661397      3.480074
  N     -10.111415      2.424328      3.328194
  C     -10.918179      2.772620      4.378828
  C     -12.312914      2.552235      4.283630
  C     -13.145103      2.901869      5.332007
  C     -12.615955      3.481165      6.505560
  C     -11.257124      3.706100      6.624087
  C     -10.379090      3.355783      5.568648
  H      -3.503517      0.854189      2.955556
  H      -4.666185      1.785839      3.891493
  H      -4.895574     -0.262473      5.464170
  H      -4.192166     -1.183400      4.116933
  H      -6.639314     -1.162083      3.791438
  H      -6.704321      0.589821      4.071750
  H      -6.066012      2.683577      0.187932
  H      -4.868518     -1.103622     -2.122935
  H      -4.541710     -3.512399     -1.513890
  H      -4.889890     -4.261861      0.829784
  H      -5.547333     -2.642287      2.574608
  H      -4.285593      5.948872      6.084367
  H      -2.738363      6.460703      6.777286
  H      -2.282007      7.838137      4.731917
  H      -3.724718      8.316028      5.638897
  H      -4.007481      8.323114      3.110600
  H      -3.759781      6.588327      3.118408
  H      -7.816060      7.829064      6.309453
  H      -9.770418      5.659895      2.759935
  H      -8.958254      4.858243      0.532424
  H      -6.602812      5.257626     -0.149629
  H      -5.016771      6.353209      1.390710
  H      -6.162839      2.533712      7.652659
  H      -6.296513      2.450216      5.886348
  H      -6.462705      5.036939      7.514332
  H      -6.564351      4.906331      5.753749
  H      -8.525384      3.533175      7.689429
  H      -8.788968      5.126870      7.007134
  H      -8.153944      2.387087      2.658686
  H     -12.698799      2.104374      3.366285
  H     -14.219836      2.732198      5.254082
  H     -13.286545      3.754741      7.321995
  H     -10.857243      4.157980      7.533059
  N      -4.054827      3.778264      3.074526
  H      -4.741037      3.272814      2.502358
  H      -3.904709      4.706247      2.691739
98
Coordinates from ORCA-job orca E -6204.300602991334
  N      -2.888418      1.452250      4.875273
  Mo     -3.493396      3.342485      4.936302
  N      -4.514059      3.312170      6.623345
  C      -3.724313      3.372706      7.847077
  C      -2.453223      2.532535      7.699063
  N      -1.688904      2.952316      6.496636
  C      -0.801199      1.882332      5.962143
  C      -1.508768      1.055988      4.854746
  C      -0.963979      4.230413      6.681380
  C      -1.183253      5.063421      5.413005
  N      -2.615681      5.125618      5.183696
  H      -1.033683      1.237505      3.868192
  H      -1.400434     -0.025777      5.059492
  H       0.092084      2.363093      5.543939
  H      -0.464818      1.236449      6.789096
  H      -0.738356      6.068020      5.521082
  H      -0.676930      4.584043      4.557532
  H      -1.392839      4.761410      7.542425
  H       0.102633      4.052046      6.897524
  H      -4.299263      2.978994      8.703293
  H      -3.458147      4.416578      8.105423
  H      -2.738905      1.483754      7.545800
  H      -1.821941      2.599326      8.605345
  C      -3.875210      0.964051      3.955301
  C      -4.680017     -0.277666      4.351089
  C      -6.056588     -0.262383      3.637356
  C      -5.943347      0.016333      2.163438
  N      -6.139903      1.289385      1.765829
  C      -5.990414      1.552057      0.447207
  N      -5.656224      0.712769     -0.518892
  C      -5.448259     -0.592837     -0.141209
  C      -5.085854     -1.548777     -1.113626
  C      -4.872257     -2.873216     -0.751383
  C      -5.019348     -3.278496      0.587077
  C      -5.373836     -2.360996      1.564974
  C      -5.592702     -0.999925      1.227113
  C      -3.284384      6.239888      5.855195
  C      -3.332881      7.548513      5.047359
  C      -4.157002      7.460433      3.762163
  C      -5.639072      7.248772      3.977363
  N      -6.153976      7.643454      5.140904
  C      -7.482760      7.457425      5.335326
  N      -8.349569      6.895670      4.516492
  C      -7.853064      6.473725      3.313494
  C      -8.720064      5.837999      2.395129
  C      -8.245597      5.416555      1.166709
  C      -6.898309      5.629397      0.811139
  C      -6.028992      6.239962      1.694653
  C      -6.472497      6.659994      2.974645
  C      -5.939350      3.054142      6.733420
  C      -6.770679      4.343996      6.729496
  C      -8.281357      4.135465      6.829220
  C      -8.940243      3.549093      5.605105
  N      -8.182160      3.211457      4.570504
  C      -8.798164      2.697426      3.470421
  N     -10.087633      2.482143      3.303703
  C     -10.898177      2.822909      4.353477
  C     -12.292582      2.622542      4.242335
  C     -13.127385      2.964158      5.290451
  C     -12.601098      3.515458      6.478535
  C     -11.242274      3.720388      6.613233
  C     -10.361553      3.376939      5.558866
  H      -3.498775      0.887421      2.917826
  H      -4.663490      1.769287      3.903149
  H      -4.818096     -0.278796      5.443081
  H      -4.125849     -1.191100      4.081788
  H      -6.572075     -1.220229      3.808963
  H      -6.673421      0.531797      4.085086
  H      -6.170854      2.593339      0.150705
  H      -4.982081     -1.215741     -2.147247
  H      -4.592509     -3.605770     -1.510493
  H      -4.855515     -4.322935      0.858801
  H      -5.488683     -2.687245      2.599297
  H      -4.313791      5.943953      6.099332
  H      -2.776567      6.458298      6.815812
  H      -2.309019      7.865518      4.793219
  H      -3.760028      8.325110      5.698882
  H      -4.023433      8.387257      3.176306
  H      -3.749463      6.657082      3.133794
  H      -7.862729      7.802652      6.301990
  H      -9.758886      5.689266      2.688736
  H      -8.911062      4.910349      0.465909
  H      -6.548733      5.304151     -0.171192
  H      -4.991487      6.401378      1.400086
  H      -6.141719      2.473163      7.654365
  H      -6.265566      2.432911      5.884776
  H      -6.444911      4.984707      7.566078
  H      -6.539003      4.886069      5.800736
  H      -8.522281      3.495435      7.698342
  H      -8.764381      5.104306      7.040968
  H      -8.126562      2.429445      2.648724
  H     -12.676310      2.196665      3.313856
  H     -14.202308      2.809280      5.201004
  H     -13.274431      3.783303      7.294133
  H     -10.844657      4.151415      7.533033
  N      -4.175768      3.826471      3.142356
  H      -4.876744      3.308686      2.599836
  H      -4.081702      4.766992      2.774006
98
Coordinates from ORCA-job orca E -6204.302589301149
  N      -2.887435      1.463542      4.853645
  Mo     -3.506523      3.347651      4.949618
  N      -4.512113      3.308822      6.634502
  C      -3.720834      3.361816      7.859678
  C      -2.448898      2.525871      7.700178
  N      -1.694731      2.953380      6.493267
  C      -0.804923      1.887279      5.950392
  C      -1.509528      1.066205      4.837533
  C      -0.972384      4.233833      6.676420
  C      -1.188198      5.061350      5.403750
  N      -2.620274      5.129005      5.168234
  H      -1.031007      1.251788      3.853595
  H      -1.402733     -0.016528      5.038893
  H       0.088136      2.372228      5.536276
  H      -0.469085      1.237777      6.774830
  H      -0.741559      6.065926      5.505098
  H      -0.680784      4.574980      4.552374
  H      -1.406175      4.766795      7.534052
  H       0.094146      4.058612      6.896828
  H      -4.294641      2.961090      8.713175
  H      -3.456986      4.404558      8.123450
  H      -2.732078      1.476622      7.543150
  H      -1.812690      2.589993      8.603280
  C      -3.877540      0.954413      3.945344
  C      -4.649986     -0.307326      4.343802
  C      -6.033671     -0.312742      3.647936
  C      -5.933462     -0.020856      2.174920
  N      -6.144299      1.251758      1.787064
  C      -6.004060      1.522340      0.468709
  N      -5.669604      0.692044     -0.505707
  C      -5.447239     -0.613096     -0.137182
  C      -5.082550     -1.560767     -1.117913
  C      -4.851987     -2.884160     -0.765560
  C      -4.984001     -3.296883      0.573071
  C      -5.340635     -2.387755      1.558282
  C      -5.577429     -1.027955      1.229792
  C      -3.287327      6.246626      5.837711
  C      -3.319664      7.557061      5.032813
  C      -4.146325      7.480036      3.748245
  C      -5.626426      7.268188      3.972711
  N      -6.127273      7.667014      5.140213
  C      -7.453802      7.481669      5.352527
  N      -8.329745      6.914303      4.548689
  C      -7.845750      6.486453      3.342275
  C      -8.722349      5.841027      2.440788
  C      -8.264270      5.411281      1.210908
  C      -6.921604      5.626040      0.835013
  C      -6.043653      6.249189      1.699611
  C      -6.471644      6.675146      2.982395
  C      -5.939632      3.050944      6.738555
  C      -6.770356      4.341300      6.739319
  C      -8.280974      4.136170      6.830329
  C      -8.934699      3.560779      5.597793
  N      -8.169758      3.223271      4.567736
  C      -8.780088      2.717941      3.460560
  N     -10.069175      2.509148      3.280868
  C     -10.884757      2.850811      4.326852
  C     -12.279675      2.656966      4.204925
  C     -13.121187      2.997705      5.247366
  C     -12.602098      3.542583      6.442128
  C     -11.242924      3.741224      6.587750
  C     -10.355744      3.397497      5.538687
  H      -3.517691      0.892765      2.901393
  H      -4.681323      1.740920      3.919687
  H      -4.774204     -0.316081      5.438251
  H      -4.084682     -1.210681      4.061464
  H      -6.529231     -1.281712      3.815561
  H      -6.662129      0.465728      4.107226
  H      -6.194137      2.563584      0.180662
  H      -4.990316     -1.222017     -2.150963
  H      -4.570690     -3.609869     -1.531285
  H      -4.806461     -4.340425      0.838682
  H      -5.442996     -2.720301      2.591988
  H      -4.320818      5.957634      6.074686
  H      -2.786394      6.459092      6.803500
  H      -2.292523      7.864655      4.778079
  H      -3.738214      8.336521      5.687002
  H      -4.016782      8.413889      3.171290
  H      -3.736566      6.686222      3.107956
  H      -7.822950      7.833473      6.321571
  H      -9.756563      5.690448      2.750381
  H      -8.937744      4.896205      0.524528
  H      -6.581029      5.289870     -0.146468
  H      -5.011054      6.413523      1.387806
  H      -6.143714      2.461773      7.654176
  H      -6.261729      2.437691      5.882925
  H      -6.446009      4.976143      7.580951
  H      -6.536072      4.888240      5.813830
  H      -8.529276      3.492372      7.693971
  H      -8.761153      5.105826      7.044473
  H      -8.101879      2.448332      2.644553
  H     -12.658218      2.236334      3.272093
  H     -14.196604      2.846932      5.148901
  H     -13.280778      3.810120      7.253588
  H     -10.850880      4.166814      7.512095
  N      -4.309947      3.835718      3.207609
  H      -5.029406      3.304627      2.702250
  H      -4.264650      4.783418      2.845507
98
Coordinates from ORCA-job orca E -6204.304768919917
  N      -2.887208      1.485737      4.823233
  Mo     -3.517506      3.360947      4.970323
  N      -4.504757      3.304825      6.657577
  C      -3.710799      3.345215      7.884308
  C      -2.438102      2.513559      7.705013
  N      -1.697602      2.956142      6.492964
  C      -0.807033      1.898721      5.931704
  C      -1.510462      1.089151      4.810088
  C      -0.979264      4.238377      6.679883
  C      -1.194036      5.069406      5.409704
  N      -2.625170      5.140296      5.168696
  H      -1.028442      1.286403      3.830295
  H      -1.404989      0.004633      5.003261
  H       0.084437      2.391993      5.522605
  H      -0.469612      1.242289      6.749873
  H      -0.750346      6.075408      5.513083
  H      -0.682621      4.583505      4.560281
  H      -1.418433      4.766202      7.537695
  H       0.088006      4.065846      6.900624
  H      -4.283397      2.931547      8.733170
  H      -3.448931      4.385280      8.159416
  H      -2.720521      1.465445      7.536806
  H      -1.794280      2.567860      8.603367
  C      -3.877999      0.950919      3.924832
  C      -4.609209     -0.334594      4.329698
  C      -6.002401     -0.373620      3.664519
  C      -5.932535     -0.078079      2.189904
  N      -6.172090      1.188537      1.810265
  C      -6.057745      1.466386      0.491202
  N      -5.728982      0.645680     -0.494286
  C      -5.479887     -0.654961     -0.132611
  C      -5.120399     -1.595481     -1.123909
  C      -4.860886     -2.914473     -0.782136
  C      -4.957182     -3.332376      0.560163
  C      -5.307929     -2.431487      1.553458
  C      -5.575223     -1.075996      1.234454
  C      -3.296067      6.256482      5.837378
  C      -3.316647      7.567687      5.034647
  C      -4.141093      7.503826      3.746385
  C      -5.622490      7.299063      3.962012
  N      -6.123631      7.694108      5.129830
  C      -7.451423      7.507296      5.341060
  N      -8.327357      6.941154      4.536058
  C      -7.838236      6.520765      3.327424
  C      -8.712342      5.875046      2.423118
  C      -8.251974      5.442388      1.196605
  C      -6.904988      5.657550      0.823021
  C      -6.031163      6.288252      1.685597
  C      -6.466852      6.712118      2.966932
  C      -5.935202      3.048015      6.756391
  C      -6.771240      4.333962      6.770374
  C      -8.279247      4.121753      6.851250
  C      -8.926804      3.564682      5.606344
  N      -8.153055      3.238448      4.578052
  C      -8.756628      2.751946      3.459696
  N     -10.045778      2.548518      3.261391
  C     -10.865958      2.879016      4.308208
  C     -12.263346      2.692845      4.172623
  C     -13.113339      3.020510      5.210685
  C     -12.602887      3.545606      6.419582
  C     -11.242243      3.736653      6.578962
  C     -10.346881      3.405681      5.532009
  H      -3.531694      0.899079      2.875597
  H      -4.696090      1.717865      3.920583
  H      -4.718848     -0.348601      5.426644
  H      -4.025654     -1.223141      4.036798
  H      -6.473449     -1.352060      3.843225
  H      -6.639253      0.393264      4.131309
  H      -6.267972      2.506233      0.215596
  H      -5.056074     -1.253148     -2.157937
  H      -4.584776     -3.633393     -1.555820
  H      -4.756334     -4.373144      0.819427
  H      -5.383070     -2.768216      2.587990
  H      -4.331824      5.966742      6.067140
  H      -2.805523      6.466030      6.809896
  H      -2.286497      7.869100      4.780880
  H      -3.731198      8.345619      5.693772
  H      -4.008229      8.444797      3.179847
  H      -3.730307      6.717043      3.095127
  H      -7.825364      7.856881      6.309833
  H      -9.746824      5.720909      2.733202
  H      -8.925119      4.923300      0.512711
  H      -6.551754      5.310962     -0.150136
  H      -4.996918      6.453106      1.375669
  H      -6.137208      2.447268      7.664971
  H      -6.254134      2.445356      5.892407
  H      -6.451420      4.958202      7.620505
  H      -6.538477      4.893756      5.853025
  H      -8.532035      3.467359      7.704666
  H      -8.762970      5.087975      7.072374
  H      -8.070538      2.489133      2.647715
  H     -12.635835      2.288216      3.230577
  H     -14.190107      2.875110      5.099416
  H     -13.288033      3.803526      7.228978
  H     -10.857065      4.146316      7.512713
  N      -4.413778      3.860225      3.277444
  H      -5.138079      3.319997      2.791456
  H      -4.410618      4.815482      2.928707
98
Coordinates from ORCA-job orca E -6204.308497429966
  N      -2.889480      1.509897      4.793098
  Mo     -3.528965      3.375262      4.991796
  N      -4.497194      3.302382      6.681263
  C      -3.700059      3.329694      7.909129
  C      -2.427306      2.501809      7.709383
  N      -1.701015      2.959179      6.492082
  C      -0.810676      1.910211      5.912029
  C      -1.514222      1.112997      4.781962
  C      -0.986075      4.243046      6.682198
  C      -1.200209      5.077431      5.414074
  N      -2.630502      5.152162      5.168249
  H      -1.028994      1.322084      3.806372
  H      -1.410866      0.026583      4.966356
  H       0.079270      2.411233      5.507610
  H      -0.471677      1.246688      6.723677
  H      -0.759135      6.084770      5.518802
  H      -0.685374      4.591347      4.566642
  H      -1.429968      4.766051      7.540266
  H       0.081982      4.072855      6.902695
  H      -4.271364      2.903521      8.753416
  H      -3.439394      4.366788      8.195400
  H      -2.709713      1.455147      7.530018
  H      -1.775459      2.545978      8.602503
  C      -3.880448      0.949478      3.904190
  C      -4.569555     -0.358930      4.314217
  C      -5.970806     -0.432008      3.680135
  C      -5.931874     -0.133283      2.204438
  N      -6.199963      1.126764      1.833553
  C      -6.111944      1.411380      0.514169
  N      -5.789588      0.600173     -0.482325
  C      -5.513928     -0.695455     -0.127910
  C      -5.160302     -1.629023     -1.129679
  C      -4.872136     -2.943053     -0.799063
  C      -4.932054     -3.365399      0.546261
  C      -5.276297     -2.472542      1.547461
  C      -5.573892     -1.121960      1.238552
  C      -3.304402      6.267445      5.836088
  C      -3.313259      7.578464      5.034393
  C      -4.136742      7.524995      3.743630
  C      -5.618966      7.327753      3.953281
  N      -6.118523      7.722161      5.121136
  C      -7.447189      7.534157      5.334078
  N      -8.324337      6.966682      4.531064
  C      -7.831877      6.550551      3.320594
  C      -8.704725      5.901515      2.416848
  C      -8.243854      5.462312      1.194390
  C      -6.893097      5.677227      0.820337
  C      -6.022353      6.318559      1.677348
  C      -6.463954      6.743971      2.956560
  C      -5.930712      3.047814      6.774495
  C      -6.771740      4.329305      6.801141
  C      -8.276908      4.109755      6.870611
  C      -8.916219      3.571002      5.612682
  N      -8.131733      3.256368      4.587668
  C      -8.726135      2.788506      3.457457
  N     -10.014669      2.589974      3.238323
  C     -10.841391      2.908819      4.284519
  C     -12.240827      2.729626      4.133049
  C     -13.101250      3.043785      5.164937
  C     -12.602041      3.549256      6.388479
  C     -11.240429      3.733388      6.563805
  C     -10.334879      3.415678      5.520767
  H      -3.548058      0.907244      2.849837
  H      -4.711299      1.696326      3.921598
  H      -4.664458     -0.378290      5.413464
  H      -3.968117     -1.231944      4.010131
  H      -6.416650     -1.419455      3.869601
  H      -6.615816      0.323008      4.154636
  H      -6.341987      2.449391      0.251373
  H      -5.124312     -1.283645     -2.164128
  H      -4.601791     -3.655356     -1.580564
  H      -4.708015     -4.402964      0.798732
  H      -5.323808     -2.812904      2.582295
  H      -4.342357      5.977571      6.059608
  H      -2.823648      6.474507      6.814810
  H      -2.280353      7.873303      4.780233
  H      -3.723140      8.355814      5.697698
  H      -4.001485      8.471635      3.185115
  H      -3.725579      6.743932      3.082757
  H      -7.824513      7.884204      6.302149
  H      -9.738873      5.744273      2.729685
  H      -8.917584      4.936757      0.515802
  H      -6.528293      5.317310     -0.143440
  H      -4.986973      6.483338      1.367165
  H      -6.131192      2.435630      7.675801
  H      -6.246438      2.456126      5.902125
  H      -6.457015      4.942851      7.659756
  H      -6.540054      4.901872      5.892284
  H      -8.534861      3.444816      7.713312
  H      -8.764789      5.072277      7.098158
  H      -8.030535      2.532660      2.650890
  H     -12.605287      2.340855      3.181489
  H     -14.178980      2.903250      5.039069
  H     -13.295201      3.797169      7.194431
  H     -10.864104      4.127238      7.507284
  N      -4.516304      3.882236      3.352500
  H      -5.244536      3.332604      2.885706
  H      -4.555672      4.843798      3.019405
98
Coordinates from ORCA-job orca E -6204.309532711621
  N      -2.884423      1.512435      4.795652
  Mo     -3.530176      3.373067      5.013449
  N      -4.493437      3.293779      6.697166
  C      -3.702378      3.316076      7.928492
  C      -2.424883      2.496630      7.724373
  N      -1.705475      2.961721      6.505249
  C      -0.809378      1.917731      5.924371
  C      -1.510083      1.112854      4.798064
  C      -0.997507      4.250762      6.694310
  C      -1.205216      5.079078      5.417939
  N      -2.633639      5.152050      5.157357
  H      -1.018802      1.313314      3.824066
  H      -1.410581      0.027814      4.991129
  H       0.076225      2.423898      5.516440
  H      -0.463543      1.258804      6.736396
  H      -0.765709      6.087491      5.518023
  H      -0.682910      4.588305      4.577966
  H      -1.450476      4.775645      7.546195
  H       0.069912      4.087544      6.923738
  H      -4.274004      2.881092      8.768358
  H      -3.448614      4.353119      8.220605
  H      -2.700822      1.448330      7.544211
  H      -1.771667      2.543116      8.616405
  C      -3.874792      0.940661      3.906895
  C      -4.545404     -0.379701      4.311426
  C      -5.950671     -0.459927      3.687691
  C      -5.920183     -0.145056      2.214647
  N      -6.193713      1.117952      1.857177
  C      -6.116247      1.413409      0.539645
  N      -5.803788      0.610549     -0.465974
  C      -5.523961     -0.687817     -0.125357
  C      -5.181101     -1.613106     -1.137823
  C      -4.887520     -2.929267     -0.820835
  C      -4.931505     -3.361651      0.521615
  C      -5.265984     -2.477244      1.532989
  C      -5.569285     -1.124767      1.237873
  C      -3.312975      6.272185      5.809416
  C      -3.306939      7.580587      5.003359
  C      -4.130397      7.530269      3.711473
  C      -5.611836      7.332877      3.927111
  N      -6.102977      7.724914      5.099484
  C      -7.429792      7.534846      5.322734
  N      -8.312317      6.965693      4.526951
  C      -7.828691      6.552301      3.312355
  C      -8.706911      5.899984      2.416750
  C      -8.255801      5.463349      1.190627
  C      -6.909952      5.685932      0.803933
  C      -6.034189      6.331425      1.652070
  C      -6.464563      6.751635      2.935961
  C      -5.928629      3.038451      6.780532
  C      -6.768255      4.321098      6.816975
  C      -8.274309      4.105769      6.882346
  C      -8.910918      3.577094      5.618410
  N      -8.122041      3.269194      4.594419
  C      -8.712229      2.808203      3.459225
  N     -10.000083      2.610258      3.233668
  C     -10.831026      2.923504      4.278594
  C     -12.229940      2.745208      4.120372
  C     -13.094968      3.053108      5.150591
  C     -12.601117      3.551764      6.379048
  C     -11.239808      3.735429      6.561129
  C     -10.329620      3.423673      5.519830
  H      -3.551744      0.913823      2.849144
  H      -4.711998      1.669847      3.946325
  H      -4.630268     -0.408170      5.411615
  H      -3.940568     -1.246204      3.995375
  H      -6.385026     -1.454153      3.866995
  H      -6.601940      0.281745      4.174677
  H      -6.347969      2.453765      0.287373
  H      -5.156861     -1.260225     -2.169979
  H      -4.625537     -3.635049     -1.610662
  H      -4.702822     -4.400646      0.764129
  H      -5.300793     -2.825629      2.565519
  H      -4.354991      5.987865      6.019674
  H      -2.845615      6.481224      6.793990
  H      -2.270977      7.865640      4.749524
  H      -3.710166      8.364043      5.663856
  H      -3.996619      8.480470      3.157712
  H      -3.716413      6.753979      3.045432
  H      -7.800379      7.884776      6.293528
  H      -9.737497      5.738142      2.739038
  H      -8.932989      4.934795      0.518349
  H      -6.552208      5.327876     -0.162055
  H      -5.003299      6.502610      1.330593
  H      -6.133355      2.415959      7.673789
  H      -6.239163      2.457908      5.899044
  H      -6.452375      4.926664      7.680968
  H      -6.535135      4.899842      5.912112
  H      -8.536893      3.435941      7.719869
  H      -8.758082      5.068917      7.114988
  H      -8.013532      2.555586      2.654421
  H     -12.590416      2.362226      3.165033
  H     -14.172212      2.913142      5.019332
  H     -13.297985      3.795131      7.183358
  H     -10.867585      4.124727      7.508076
  N      -4.577151      3.869853      3.409343
  H      -5.308049      3.311302      2.962428
  H      -4.612834      4.824601      3.061268
98
Coordinates from ORCA-job orca E -6204.310447250811
  N      -2.876685      1.519134      4.775308
  Mo     -3.537801      3.368786      5.014953
  N      -4.495613      3.285830      6.698028
  C      -3.703908      3.302931      7.929483
  C      -2.426779      2.486048      7.719696
  N      -1.713215      2.956441      6.499594
  C      -0.810834      1.916034      5.922832
  C      -1.501366      1.122157      4.782360
  C      -1.009183      4.246927      6.692062
  C      -1.207739      5.066268      5.409642
  N      -2.635497      5.142541      5.141458
  H      -1.004432      1.333605      3.813323
  H      -1.400638      0.034934      4.963507
  H       0.082242      2.421473      5.530316
  H      -0.478297      1.249492      6.734206
  H      -0.764712      6.073728      5.502914
  H      -0.684915      4.566016      4.576261
  H      -1.471012      4.774936      7.536821
  H       0.056325      4.087571      6.932154
  H      -4.274941      2.863584      8.767102
  H      -3.451337      4.338778      8.226640
  H      -2.703216      1.438367      7.536364
  H      -1.770360      2.528755      8.609545
  C      -3.860812      0.932604      3.892789
  C      -4.509958     -0.398195      4.299922
  C      -5.917688     -0.497564      3.681788
  C      -5.903262     -0.181873      2.209102
  N      -6.203175      1.077192      1.854907
  C      -6.136211      1.374708      0.537729
  N      -5.811866      0.578534     -0.470837
  C      -5.506275     -0.715045     -0.133689
  C      -5.148812     -1.632498     -1.148692
  C      -4.829174     -2.943857     -0.834687
  C      -4.861215     -3.378443      0.506906
  C      -5.209100     -2.501438      1.521176
  C      -5.538713     -1.154241      1.229538
  C      -3.314140      6.263650      5.793698
  C      -3.303832      7.572061      4.988599
  C      -4.144150      7.530428      3.706652
  C      -5.625173      7.343590      3.939084
  N      -6.103257      7.746116      5.114151
  C      -7.427816      7.559708      5.353325
  N      -8.319474      6.983966      4.572222
  C      -7.850830      6.563799      3.353982
  C      -8.740565      5.908103      2.472249
  C      -8.303955      5.463615      1.243270
  C      -6.962119      5.682445      0.840437
  C      -6.075337      6.332378      1.674528
  C      -6.490420      6.760177      2.960880
  C      -5.932762      3.038635      6.780936
  C      -6.764460      4.325320      6.815191
  C      -8.271591      4.117476      6.879297
  C      -8.908417      3.588918      5.615378
  N      -8.118377      3.254872      4.600469
  C      -8.707854      2.791269      3.466004
  N      -9.997548      2.614842      3.233611
  C     -10.830348      2.955790      4.268337
  C     -12.231378      2.802084      4.101393
  C     -13.097515      3.137564      5.121905
  C     -12.602889      3.639891      6.348781
  C     -11.239681      3.799812      6.539262
  C     -10.328347      3.459969      5.508137
  H      -3.541597      0.910629      2.833965
  H      -4.705541      1.650313      3.942416
  H      -4.590160     -0.427516      5.400282
  H      -3.895411     -1.256328      3.980832
  H      -6.336678     -1.497927      3.862596
  H      -6.576664      0.234180      4.173040
  H      -6.386673      2.411150      0.287106
  H      -5.134352     -1.278554     -2.180367
  H      -4.555873     -3.643361     -1.626816
  H      -4.612434     -4.413343      0.747344
  H      -5.234593     -2.851667      2.553073
  H      -4.357227      5.982073      6.001116
  H      -2.847755      6.469978      6.779116
  H      -2.267979      7.846923      4.723268
  H      -3.691651      8.359053      5.654221
  H      -4.008958      8.481180      3.154233
  H      -3.744055      6.752735      3.033784
  H      -7.787490      7.916928      6.325394
  H      -9.767557      5.749232      2.806880
  H      -8.989491      4.931242      0.582124
  H      -6.615764      5.317178     -0.126740
  H      -5.048136      6.501602      1.340004
  H      -6.140394      2.419153      7.675229
  H      -6.245857      2.458204      5.900648
  H      -6.446531      4.930251      7.678349
  H      -6.526121      4.901914      5.910790
  H      -8.538100      3.449831      7.717211
  H      -8.750324      5.083424      7.109964
  H      -8.008116      2.516604      2.668962
  H     -12.592193      2.415078      3.147484
  H     -14.176437      3.016181      4.984135
  H     -13.300548      3.904735      7.145634
  H     -10.866869      4.191647      7.485152
  N      -4.637575      3.861022      3.446915
  H      -5.351836      3.282224      2.999933
  H      -4.734114      4.823102      3.131888
98
Coordinates from ORCA-job orca E -6204.311482121482
  N      -2.868903      1.517084      4.773391
  Mo     -3.542866      3.356893      5.038208
  N      -4.495664      3.263749      6.720511
  C      -3.707477      3.274457      7.955009
  C      -2.423785      2.470121      7.735089
  N      -1.721379      2.952203      6.511503
  C      -0.809170      1.921090      5.934166
  C      -1.492880      1.121883      4.793948
  C      -1.027487      4.249317      6.705851
  C      -1.218059      5.061659      5.415146
  N      -2.644252      5.133400      5.131279
  H      -0.989298      1.329331      3.827479
  H      -1.393164      0.035523      4.979849
  H       0.080138      2.433579      5.542078
  H      -0.471532      1.257082      6.745157
  H      -0.777365      6.070639      5.504371
  H      -0.687188      4.556082      4.590124
  H      -1.502558      4.778010      7.542628
  H       0.036595      4.099560      6.958522
  H      -4.275690      2.820772      8.787144
  H      -3.464530      4.309191      8.263871
  H      -2.692324      1.420928      7.548953
  H      -1.762982      2.514204      8.621605
  C      -3.849140      0.919352      3.890888
  C      -4.473962     -0.425690      4.291439
  C      -5.883825     -0.539025      3.682295
  C      -5.880948     -0.205788      2.213708
  N      -6.194961      1.053611      1.877344
  C      -6.136018      1.367850      0.564229
  N      -5.810742      0.587287     -0.456267
  C      -5.493324     -0.706895     -0.137148
  C      -5.134540     -1.608995     -1.165472
  C      -4.801474     -2.920710     -0.869935
  C      -4.821292     -3.371334      0.466790
  C      -5.170319     -2.509909      1.493264
  C      -5.513508     -1.162616      1.220473
  C      -3.330572      6.262385      5.762069
  C      -3.302964      7.563470      4.946347
  C      -4.148636      7.520038      3.666879
  C      -5.629389      7.342705      3.907840
  N      -6.098270      7.752030      5.084640
  C      -7.421834      7.568600      5.334374
  N      -8.320786      6.989168      4.563541
  C      -7.861417      6.566326      3.342218
  C      -8.759540      5.910271      2.469498
  C      -8.334401      5.465206      1.237264
  C      -6.994870      5.684383      0.821890
  C      -6.098483      6.332857      1.647547
  C      -6.503359      6.760811      2.937009
  C      -5.937116      3.027816      6.800127
  C      -6.760633      4.319939      6.835978
  C      -8.268895      4.121443      6.898944
  C      -8.908890      3.599879      5.632885
  N      -8.119178      3.256116      4.620757
  C      -8.709707      2.795576      3.485567
  N     -10.000681      2.631671      3.248258
  C     -10.832704      2.985667      4.279410
  C     -12.235661      2.849068      4.106680
  C     -13.101822      3.196695      5.122623
  C     -12.606141      3.695145      6.351446
  C     -11.241115      3.839019      6.547523
  C     -10.329605      3.486754      5.520330
  H      -3.536523      0.912446      2.829625
  H      -4.699673      1.619854      3.960632
  H      -4.545807     -0.465605      5.392049
  H      -3.850923     -1.272963      3.960825
  H      -6.287640     -1.546781      3.853247
  H      -6.550841      0.176840      4.185090
  H      -6.394500      2.405363      0.328627
  H      -5.129076     -1.242992     -2.192861
  H      -4.526946     -3.608037     -1.672171
  H      -4.561891     -4.406657      0.693331
  H      -5.186043     -2.872613      2.520839
  H      -4.378453      5.987045      5.952502
  H      -2.881873      6.474484      6.754467
  H      -2.263960      7.821631      4.675605
  H      -3.677513      8.362111      5.605900
  H      -4.010069      8.468366      3.110261
  H      -3.755992      6.736546      2.995517
  H      -7.776030      7.932580      6.306164
  H      -9.784684      5.753391      2.813172
  H      -9.027119      4.933447      0.583000
  H      -6.657320      5.320932     -0.148017
  H      -5.073809      6.502065      1.303605
  H      -6.150719      2.407515      7.692718
  H      -6.251698      2.453347      5.916860
  H      -6.439234      4.921612      7.700362
  H      -6.518129      4.896496      5.932234
  H      -8.539891      3.452098      7.734304
  H      -8.740624      5.089346      7.133180
  H      -8.010542      2.510187      2.691654
  H     -12.597218      2.464907      3.151673
  H     -14.182001      3.088385      4.979883
  H     -13.303897      3.969789      7.145119
  H     -10.867567      4.228360      7.494297
  N      -4.686841      3.840251      3.497568
  H      -5.404417      3.255972      3.063974
  H      -4.801461      4.803110      3.187098
98
Coordinates from ORCA-job orca E -6204.312592970935
  N      -2.863123      1.520189      4.765840
  Mo     -3.550336      3.349198      5.062510
  N      -4.497845      3.243710      6.745869
  C      -3.711611      3.245690      7.982632
  C      -2.422069      2.454044      7.749229
  N      -1.732368      2.949290      6.521821
  C      -0.810140      1.929140      5.941008
  C      -1.486437      1.127444      4.799219
  C      -1.047314      4.251607      6.720687
  C      -1.227329      5.057567      5.424095
  N      -2.651610      5.126839      5.124391
  H      -0.976079      1.333612      3.836024
  H      -1.387124      0.041463      4.987462
  H       0.075172      2.450300      5.550972
  H      -0.467155      1.265744      6.750029
  H      -0.787471      6.067326      5.511168
  H      -0.688830      4.546938      4.607253
  H      -1.536627      4.780227      7.549104
  H       0.014810      4.109830      6.987355
  H      -4.276400      2.775058      8.808156
  H      -3.478035      4.278062      8.306759
  H      -2.683343      1.403780      7.558296
  H      -1.755074      2.497589      8.631015
  C      -3.837927      0.911772      3.884662
  C      -4.433948     -0.448926      4.279271
  C      -5.846499     -0.583220      3.684115
  C      -5.864174     -0.236670      2.219109
  N      -6.203143      1.018901      1.898679
  C      -6.160828      1.347446      0.588881
  N      -5.834696      0.582527     -0.443236
  C      -5.495584     -0.708929     -0.140029
  C      -5.136483     -1.596255     -1.181306
  C      -4.780826     -2.905091     -0.903033
  C      -4.777296     -3.368692      0.430007
  C      -5.126161     -2.522487      1.467832
  C      -5.492579     -1.178120      1.212612
  C      -3.344400      6.263724      5.734462
  C      -3.297415      7.558448      4.910309
  C      -4.147094      7.518163      3.632453
  C      -5.627426      7.347508      3.878002
  N      -6.090359      7.759731      5.056131
  C      -7.413311      7.577951      5.311756
  N      -8.317119      6.998162      4.546193
  C      -7.863029      6.577539      3.321425
  C      -8.767135      5.926097      2.451665
  C      -8.349339      5.483639      1.216255
  C      -7.009547      5.701506      0.794317
  C      -6.106329      6.344324      1.617424
  C      -6.506477      6.769191      2.909677
  C      -5.943495      3.020517      6.823958
  C      -6.761612      4.316072      6.859444
  C      -8.269783      4.120228      6.923108
  C      -8.912045      3.603388      5.655580
  N      -8.121275      3.250678      4.647187
  C      -8.711174      2.793023      3.510984
  N     -10.003136      2.640986      3.266657
  C     -10.835436      3.006754      4.293832
  C     -12.240527      2.887767      4.113393
  C     -13.108115      3.246444      5.123403
  C     -12.613183      3.739528      6.355459
  C     -11.246533      3.866991      6.558834
  C     -10.333331      3.503845      5.536447
  H      -3.532599      0.919887      2.821157
  H      -4.695528      1.596973      3.974633
  H      -4.495498     -0.499171      5.380117
  H      -3.799724     -1.282940      3.936773
  H      -6.230279     -1.599307      3.850077
  H      -6.521942      0.115541      4.198955
  H      -6.435312      2.383557      0.367692
  H      -5.148757     -1.220633     -2.204858
  H      -4.506202     -3.580534     -1.714778
  H      -4.500049     -4.402229      0.643429
  H      -5.123881     -2.895212      2.491536
  H      -4.397221      5.994167      5.906365
  H      -2.914876      6.479502      6.734851
  H      -2.254987      7.798204      4.634734
  H      -3.657224      8.367774      5.565126
  H      -4.005330      8.466069      3.075712
  H      -3.761564      6.731698      2.959907
  H      -7.764703      7.943783      6.283893
  H      -9.791624      5.771556      2.800085
  H      -9.047609      4.955638      0.564822
  H      -6.676625      5.341969     -0.178458
  H      -5.082227      6.512198      1.269930
  H      -6.161774      2.401455      7.716285
  H      -6.259826      2.449822      5.939182
  H      -6.437847      4.917314      7.723211
  H      -6.518563      4.892100      5.955325
  H      -8.541002      3.447609      7.755881
  H      -8.739833      5.087664      7.161552
  H      -8.010811      2.499673      2.720501
  H     -12.601348      2.507701      3.156662
  H     -14.189484      3.151779      4.973852
  H     -13.312035      4.023160      7.145187
  H     -10.873713      4.252788      7.507063
  N      -4.735880      3.826657      3.549049
  H      -5.446602      3.233293      3.118649
  H      -4.875880      4.791152      3.250550
98
Coordinates from ORCA-job orca E -6204.313779140402
  N      -2.862252      1.529395      4.751706
  Mo     -3.561602      3.344217      5.090712
  N      -4.499883      3.220492      6.778828
  C      -3.711858      3.212031      8.016082
  C      -2.417293      2.433964      7.763042
  N      -1.744643      2.945837      6.531259
  C      -0.814156      1.939483      5.938819
  C      -1.485310      1.138877      4.794075
  C      -1.069580      4.253201      6.736836
  C      -1.241752      5.057865      5.437948
  N      -2.663941      5.124254      5.123289
  H      -0.969365      1.347789      3.834082
  H      -1.386686      0.052560      4.981794
  H       0.064796      2.472280      5.550010
  H      -0.462896      1.274966      6.743341
  H      -0.805590      6.069275      5.527024
  H      -0.694311      4.545780      4.627617
  H      -1.573357      4.777964      7.559151
  H      -0.009364      4.118980      7.015229
  H      -4.270849      2.721471      8.834434
  H      -3.486955      4.240485      8.358621
  H      -2.671796      1.383535      7.563555
  H      -1.741671      2.474507      8.638209
  C      -3.832520      0.908449      3.872321
  C      -4.391631     -0.470949      4.257546
  C      -5.804050     -0.634693      3.677117
  C      -5.843635     -0.277020      2.215326
  N      -6.209549      0.972185      1.912357
  C      -6.180746      1.318998      0.607073
  N      -5.849075      0.574033     -0.438639
  C      -5.487045     -0.713491     -0.152476
  C      -5.122948     -1.582824     -1.208885
  C      -4.742681     -2.887343     -0.951619
  C      -4.717097     -3.367164      0.377577
  C      -5.069990     -2.539685      1.428035
  C      -5.462701     -1.199513      1.193656
  C      -3.363561      6.268176      5.714206
  C      -3.298591      7.552848      4.876538
  C      -4.151385      7.505764      3.600048
  C      -5.632560      7.348341      3.846575
  N      -6.093602      7.782388      5.017857
  C      -7.417481      7.608172      5.278273
  N      -8.324115      7.016155      4.524863
  C      -7.869491      6.578555      3.303992
  C      -8.776384      5.916644      2.444320
  C      -8.362415      5.457704      1.213994
  C      -7.021028      5.669777      0.784700
  C      -6.113522      6.320143      1.597911
  C      -6.514486      6.760795      2.885801
  C      -5.949512      3.014150      6.858946
  C      -6.761275      4.312620      6.890573
  C      -8.268799      4.121154      6.952081
  C      -8.914970      3.613673      5.682077
  N      -8.125662      3.245632      4.677533
  C      -8.717819      2.796713      3.539863
  N     -10.011149      2.665756      3.285732
  C     -10.839451      3.048804      4.310252
  C     -12.247850      2.957402      4.122378
  C     -13.114159      3.332204      5.125984
  C     -12.616912      3.815919      6.362512
  C     -11.248043      3.916956      6.572986
  C     -10.335998      3.537127      5.555083
  H      -3.535227      0.931769      2.806140
  H      -4.696727      1.577649      3.981266
  H      -4.445727     -0.533601      5.358388
  H      -3.739524     -1.285790      3.903430
  H      -6.164927     -1.658657      3.841818
  H      -6.489187      0.048100      4.199939
  H      -6.472022      2.353319      0.404852
  H      -5.151830     -1.194705     -2.227452
  H      -4.464661     -3.548130     -1.774272
  H      -4.419995     -4.398193      0.575082
  H      -5.050685     -2.924911      2.446834
  H      -4.420412      6.002301      5.870975
  H      -2.953499      6.489892      6.722091
  H      -2.253314      7.773600      4.594877
  H      -3.644716      8.374805      5.522383
  H      -4.005145      8.446705      3.032641
  H      -3.774327      6.708216      2.934904
  H      -7.772024      7.993608      6.242522
  H      -9.800350      5.767471      2.798563
  H      -9.064824      4.922151      0.572588
  H      -6.686804      5.298420     -0.183267
  H      -5.088633      6.480795      1.247679
  H      -6.171252      2.400144      7.753844
  H      -6.270695      2.444933      5.975596
  H      -6.436042      4.914344      7.752398
  H      -6.516086      4.885926      5.986166
  H      -8.543285      3.445672      7.780901
  H      -8.736224      5.088345      7.194233
  H      -8.018311      2.488471      2.754151
  H     -12.610587      2.584326      3.163485
  H     -14.197463      3.258621      4.969127
  H     -13.314614      4.112715      7.148593
  H     -10.873595      4.295408      7.523363
  N      -4.790126      3.819027      3.605991
  H      -5.508838      3.226081      3.185688
  H      -4.957586      4.787170      3.325814
98
Coordinates from ORCA-job orca E -6204.314730924859
  N      -2.865995      1.562495      4.710821
  Mo     -3.569309      3.364269      5.096850
  N      -4.495251      3.224280      6.792936
  C      -3.702673      3.203401      8.025251
  C      -2.411469      2.427674      7.751534
  N      -1.750601      2.951996      6.519591
  C      -0.820923      1.956641      5.908665
  C      -1.489296      1.175108      4.751953
  C      -1.076540      4.255441      6.734413
  C      -1.242706      5.066117      5.445504
  N      -2.661009      5.137694      5.129357
  H      -0.970187      1.402710      3.798089
  H      -1.390243      0.086218      4.924844
  H       0.058061      2.498302      5.531658
  H      -0.471690      1.280111      6.704210
  H      -0.808955      6.077716      5.546385
  H      -0.691940      4.560171      4.633598
  H      -1.586911      4.774371      7.556174
  H      -0.017195      4.117385      7.016659
  H      -4.259251      2.698122      8.837353
  H      -3.476947      4.226304      8.384054
  H      -2.670518      1.380602      7.538529
  H      -1.725948      2.454985      8.619404
  C      -3.827673      0.925721      3.841634
  C      -4.343867     -0.467221      4.236884
  C      -5.759087     -0.673154      3.685538
  C      -5.842308     -0.333546      2.221206
  N      -6.253564      0.899883      1.919396
  C      -6.265310      1.244495      0.613467
  N      -5.938647      0.505066     -0.437708
  C      -5.534769     -0.769881     -0.151956
  C      -5.176737     -1.636193     -1.214166
  C      -4.755328     -2.927845     -0.961881
  C      -4.678193     -3.400610      0.369912
  C      -5.023123     -2.577034      1.424042
  C      -5.459201     -1.249844      1.194190
  C      -3.362868      6.270743      5.736645
  C      -3.302458      7.564189      4.912317
  C      -4.154839      7.530895      3.635563
  C      -5.637750      7.377854      3.867439
  N      -6.110591      7.811236      5.032955
  C      -7.435042      7.627862      5.281552
  N      -8.331528      7.029270      4.521078
  C      -7.862872      6.599269      3.302517
  C      -8.758597      5.935171      2.432245
  C      -8.328126      5.469006      1.210253
  C      -6.978648      5.676249      0.798237
  C      -6.085145      6.338041      1.617175
  C      -6.507758      6.785375      2.897154
  C      -5.943560      3.019354      6.876316
  C      -6.767898      4.308938      6.899719
  C      -8.272942      4.098988      6.954708
  C      -8.919253      3.593307      5.683463
  N      -8.129821      3.206275      4.685588
  C      -8.722503      2.764821      3.546303
  N     -10.016391      2.657627      3.279825
  C     -10.842351      3.058926      4.299032
  C     -12.252521      2.999047      4.099839
  C     -13.119160      3.392601      5.094112
  C     -12.622333      3.864111      6.336342
  C     -11.253226      3.935047      6.557258
  C     -10.340266      3.537876      5.546497
  H      -3.535194      0.946123      2.774234
  H      -4.701691      1.588737      3.951938
  H      -4.389528     -0.527666      5.338790
  H      -3.669251     -1.263127      3.880977
  H      -6.093996     -1.701425      3.877704
  H      -6.447418      0.007583      4.206912
  H      -6.589995      2.270620      0.419370
  H      -5.246306     -1.254042     -2.233171
  H      -4.483944     -3.585816     -1.788249
  H      -4.347802     -4.422414      0.563266
  H      -4.965287     -2.956514      2.443740
  H      -4.418476      5.993996      5.891904
  H      -2.957648      6.481605      6.749707
  H      -2.257999      7.786918      4.628238
  H      -3.647668      8.377811      5.569512
  H      -4.005645      8.475785      3.076258
  H      -3.782162      6.737226      2.963442
  H      -7.803272      8.010367      6.241543
  H      -9.785304      5.782178      2.776996
  H      -9.022608      4.926970      0.566103
  H      -6.620868      5.287566     -0.156278
  H      -5.054631      6.494719      1.282409
  H      -6.158570      2.411386      7.777007
  H      -6.265296      2.440764      5.998994
  H      -6.453769      4.917144      7.760687
  H      -6.525952      4.883570      5.995777
  H      -8.544169      3.419336      7.780868
  H      -8.752496      5.061264      7.195731
  H      -8.022234      2.441997      2.766147
  H     -12.615048      2.634851      3.137980
  H     -14.203035      3.343888      4.926812
  H     -13.320123      4.175222      7.116701
  H     -10.879509      4.303561      7.511092
  N      -4.811673      3.854501      3.628765
  H      -5.536966      3.273930      3.204479
  H      -4.994183      4.827120      3.372552
98
Coordinates from ORCA-job orca E -6204.315225347691
  N      -2.873222      1.581588      4.691874
  Mo     -3.572368      3.374487      5.104007
  N      -4.493830      3.224468      6.804313
  C      -3.698500      3.199377      8.030922
  C      -2.411224      2.423210      7.746165
  N      -1.755878      2.953173      6.516431
  C      -0.828744      1.962693      5.894590
  C      -1.496709      1.193092      4.730785
  C      -1.080662      4.254838      6.736050
  C      -1.247280      5.072059      5.451150
  N      -2.664390      5.147304      5.136218
  H      -0.976404      1.430633      3.779413
  H      -1.398513      0.102348      4.893180
  H       0.049658      2.507610      5.522725
  H      -0.479039      1.278334      6.683437
  H      -0.813008      6.083016      5.558543
  H      -0.696550      4.570021      4.636477
  H      -1.590052      4.771096      7.560943
  H      -0.021356      4.113254      7.016636
  H      -4.251360      2.690137      8.842796
  H      -3.469977      4.220100      8.395061
  H      -2.674131      1.378621      7.526650
  H      -1.721277      2.443324      8.610620
  C      -3.837791      0.943567      3.825388
  C      -4.335052     -0.455645      4.218912
  C      -5.747922     -0.680958      3.669006
  C      -5.839237     -0.349740      2.203682
  N      -6.260027      0.879793      1.899690
  C      -6.274791      1.224847      0.593787
  N      -5.944619      0.487187     -0.456781
  C      -5.533656     -0.785062     -0.169141
  C      -5.174793     -1.650502     -1.231516
  C      -4.746067     -2.939686     -0.978796
  C      -4.660442     -3.411296      0.353231
  C      -5.006067     -2.588757      1.407543
  C      -5.451326     -1.264159      1.177223
  C      -3.365295      6.278058      5.747715
  C      -3.312081      7.571702      4.923396
  C      -4.162743      7.525958      3.647980
  C      -5.645518      7.375424      3.881884
  N      -6.120972      7.833305      5.037918
  C      -7.445885      7.657127      5.287668
  N      -8.341992      7.043074      4.537797
  C      -7.870917      6.586420      3.328684
  C      -8.764675      5.901382      2.471339
  C      -8.329070      5.403251      1.262195
  C      -6.978604      5.599313      0.849454
  C      -6.087629      6.283748      1.653751
  C      -6.514220      6.762839      2.922224
  C      -5.940384      3.022673      6.890004
  C      -6.760894      4.314315      6.901400
  C      -8.267278      4.110299      6.949627
  C      -8.911941      3.597518      5.680910
  N      -8.122680      3.188430      4.692075
  C      -8.715168      2.742726      3.555020
  N     -10.008987      2.650441      3.282242
  C     -10.835109      3.072004      4.292115
  C     -12.245168      3.028211      4.085595
  C     -13.111890      3.442865      5.070801
  C     -12.615022      3.920102      6.310720
  C     -11.246555      3.975763      6.538173
  C     -10.333111      3.557245      5.536885
  H      -3.547041      0.965952      2.756457
  H      -4.709617      1.602459      3.934097
  H      -4.382576     -0.518467      5.319823
  H      -3.647927     -1.240050      3.864512
  H      -6.074806     -1.709898      3.869743
  H      -6.439820      0.000262      4.184241
  H      -6.604291      2.249316      0.400418
  H      -5.250534     -1.269036     -2.250341
  H      -4.474638     -3.597340     -1.805070
  H      -4.323588     -4.431206      0.545684
  H      -4.942449     -2.966890      2.427535
  H      -4.419657      5.999299      5.908907
  H      -2.956151      6.487685      6.759383
  H      -2.269481      7.798764      4.640187
  H      -3.662782      8.384890      5.576245
  H      -4.015696      8.463888      3.078334
  H      -3.792566      6.724959      2.984989
  H      -7.817108      8.060934      6.237865
  H      -9.792094      5.755994      2.817832
  H      -9.021631      4.844298      0.629929
  H      -6.614401      5.180919     -0.090212
  H      -5.055928      6.429243      1.319296
  H      -6.156969      2.423597      7.795955
  H      -6.265392      2.437318      6.018487
  H      -6.449891      4.928202      7.758939
  H      -6.511504      4.881170      5.994532
  H      -8.546800      3.439529      7.780459
  H      -8.743634      5.076799      7.178538
  H      -8.017048      2.399918      2.782631
  H     -12.607473      2.659103      3.125521
  H     -14.195211      3.406963      4.897991
  H     -13.312497      4.247877      7.083802
  H     -10.873006      4.348624      7.490468
  N      -4.826949      3.872964      3.645486
  H      -5.567759      3.303882      3.224503
  H      -5.004161      4.849279      3.395513
98
Coordinates from ORCA-job orca E -6204.315897136466
  N      -2.887455      1.585709      4.680034
  Mo     -3.578096      3.373509      5.109990
  N      -4.500077      3.225721      6.817221
  C      -3.701038      3.201679      8.036944
  C      -2.419223      2.420719      7.746407
  N      -1.768608      2.945799      6.513780
  C      -0.845191      1.951977      5.890478
  C      -1.513389      1.188068      4.725855
  C      -1.084932      4.244389      6.729852
  C      -1.245558      5.059142      5.445027
  N      -2.661457      5.143307      5.129110
  H      -0.986699      1.423111      3.777835
  H      -1.423801      0.096892      4.888237
  H       0.035613      2.494627      5.522330
  H      -0.498791      1.264977      6.678149
  H      -0.805575      6.067593      5.554564
  H      -0.696838      4.553941      4.630956
  H      -1.592915      4.767280      7.552056
  H      -0.027011      4.094723      7.013081
  H      -4.251076      2.693325      8.852057
  H      -3.467196      4.221730      8.401343
  H      -2.688513      1.377351      7.529301
  H      -1.723585      2.439033      8.606155
  C      -3.856089      0.946385      3.822153
  C      -4.334804     -0.457638      4.217129
  C      -5.742579     -0.703898      3.660442
  C      -5.834578     -0.367050      2.196569
  N      -6.279290      0.856420      1.901010
  C      -6.296853      1.214693      0.598780
  N      -5.950732      0.492075     -0.457294
  C      -5.519230     -0.775698     -0.179279
  C      -5.147979     -1.626873     -1.249526
  C      -4.699136     -2.911224     -1.008128
  C      -4.603371     -3.392910      0.319582
  C      -4.961059     -2.584626      1.381503
  C      -5.429063     -1.265555      1.162650
  C      -3.356610      6.279004      5.737252
  C      -3.306830      7.571724      4.909493
  C      -4.159729      7.525086      3.636608
  C      -5.643755      7.388421      3.875237
  N      -6.115397      7.870816      5.023221
  C      -7.440848      7.707484      5.277618
  N      -8.341287      7.080722      4.542290
  C      -7.875081      6.599073      3.341387
  C      -8.772333      5.897035      2.501768
  C      -8.339240      5.367966      1.304831
  C      -6.990354      5.549046      0.886053
  C      -6.097190      6.254287      1.669440
  C      -6.518499      6.763658      2.928078
  C      -5.944477      3.027953      6.911044
  C      -6.762604      4.320404      6.904334
  C      -8.270050      4.120214      6.948829
  C      -8.914820      3.586072      5.689968
  N      -8.128318      3.139580      4.715561
  C      -8.723114      2.676008      3.587483
  N     -10.017234      2.599658      3.310729
  C     -10.840959      3.057615      4.305144
  C     -12.250800      3.031307      4.092721
  C     -13.115449      3.482145      5.063622
  C     -12.615829      3.979546      6.294060
  C     -11.248104      4.019506      6.526200
  C     -10.336376      3.564110      5.539917
  H      -3.564912      0.964015      2.752387
  H      -4.726832      1.606783      3.923694
  H      -4.389103     -0.523384      5.317642
  H      -3.631170     -1.229141      3.867357
  H      -6.057047     -1.736034      3.859052
  H      -6.444699     -0.030556      4.171835
  H      -6.643977      2.235748      0.415210
  H      -5.231863     -1.237007     -2.264347
  H      -4.419329     -3.558621     -1.840016
  H      -4.249544     -4.409033      0.501412
  H      -4.889286     -2.969613      2.398393
  H      -4.411188      6.003794      5.907088
  H      -2.942204      6.489689      6.746463
  H      -2.264515      7.796386      4.625178
  H      -3.656672      8.387030      5.559453
  H      -4.009021      8.458009      3.060666
  H      -3.801410      6.716518      2.977961
  H      -7.810115      8.131341      6.219453
  H      -9.799052      5.762298      2.854282
  H      -9.034088      4.795172      0.688416
  H      -6.625815      5.100186     -0.038445
  H      -5.066319      6.385918      1.330601
  H      -6.159923      2.445366      7.828047
  H      -6.276675      2.428237      6.052230
  H      -6.456048      4.945220      7.755060
  H      -6.507260      4.875107      5.991879
  H      -8.555393      3.465958      7.791124
  H      -8.744774      5.091918      7.156600
  H      -8.028897      2.302215      2.826718
  H     -12.614938      2.645823      3.140010
  H     -14.198225      3.459786      4.886663
  H     -13.311420      4.335294      7.055852
  H     -10.872647      4.407644      7.471564
  N      -4.835365      3.877166      3.654802
  H      -5.592260      3.328180      3.236767
  H      -4.990022      4.855212      3.401172
98
Coordinates from ORCA-job orca E -6204.316500822253
  N      -2.907336      1.594597      4.666105
  Mo     -3.589423      3.375438      5.125411
  N      -4.502329      3.222145      6.841470
  C      -3.693844      3.194797      8.052645
  C      -2.416026      2.413720      7.747481
  N      -1.779431      2.940031      6.508078
  C      -0.860611      1.946248      5.873411
  C      -1.536581      1.185531      4.712967
  C      -1.087723      4.236534      6.722532
  C      -1.249902      5.054522      5.441723
  N      -2.666414      5.144889      5.129823
  H      -1.008389      1.414447      3.764719
  H      -1.456108      0.094212      4.877721
  H       0.016924      2.490873      5.501280
  H      -0.507549      1.258251      6.657036
  H      -0.806867      6.061220      5.556079
  H      -0.704507      4.551977      4.623398
  H      -1.592083      4.760922      7.546539
  H      -0.030108      4.079579      7.003494
  H      -4.236530      2.682873      8.870851
  H      -3.455122      4.212748      8.420875
  H      -2.689070      1.371097      7.531677
  H      -1.709643      2.430389      8.598416
  C      -3.882243      0.954274      3.819152
  C      -4.339039     -0.456855      4.212659
  C      -5.741875     -0.726789      3.653993
  C      -5.836637     -0.381453      2.191951
  N      -6.304877      0.834614      1.904031
  C      -6.325473      1.204141      0.604255
  N      -5.965234      0.495826     -0.456921
  C      -5.513257     -0.766477     -0.187274
  C      -5.130958     -1.604848     -1.264578
  C      -4.661781     -2.883302     -1.032615
  C      -4.554268     -3.372278      0.292214
  C      -4.922332     -2.576660      1.360471
  C      -5.413592     -1.264325      1.150993
  C      -3.356763      6.286910      5.731061
  C      -3.306421      7.574445      4.895469
  C      -4.159123      7.520745      3.623388
  C      -5.643435      7.394431      3.867078
  N      -6.110458      7.900089      5.006341
  C      -7.435864      7.747468      5.266869
  N      -8.340160      7.107705      4.547013
  C      -7.878399      6.600351      3.355113
  C      -8.779040      5.881542      2.532992
  C      -8.348801      5.322856      1.348739
  C      -7.000015      5.488409      0.924919
  C      -6.105077      6.212801      1.687873
  C      -6.522653      6.753454      2.934641
  C      -5.945694      3.029966      6.943524
  C      -6.760756      4.324521      6.915661
  C      -8.268922      4.129391      6.952449
  C      -8.908197      3.578645      5.698579
  N      -8.119421      3.102929      4.740082
  C      -8.710505      2.627192      3.615167
  N     -10.003221      2.565939      3.327391
  C     -10.829200      3.052732      4.305327
  C     -12.237293      3.042209      4.080337
  C     -13.104522      3.521621      5.034902
  C     -12.608821      4.033157      6.260960
  C     -11.243437      4.058742      6.504598
  C     -10.328871      3.573851      5.535355
  H      -3.598078      0.972255      2.746909
  H      -4.754550      1.614897      3.923549
  H      -4.395260     -0.527545      5.313071
  H      -3.620006     -1.214075      3.862628
  H      -6.039094     -1.764634      3.847882
  H      -6.455766     -0.066582      4.166302
  H      -6.689418      2.220797      0.429057
  H      -5.224076     -1.208608     -2.276431
  H      -4.374901     -3.521670     -1.869236
  H      -4.183116     -4.383774      0.465393
  H      -4.840987     -2.966444      2.375198
  H      -4.411997      6.016161      5.907561
  H      -2.939684      6.502269      6.738185
  H      -2.263245      7.795538      4.610737
  H      -3.656309      8.394680      5.539189
  H      -4.007089      8.448627      3.039146
  H      -3.807663      6.704732      2.970267
  H      -7.801938      8.191935      6.200423
  H      -9.805723      5.758104      2.890665
  H      -9.046494      4.737552      0.747340
  H      -6.635112      5.011975      0.015088
  H      -5.073923      6.331110      1.345502
  H      -6.160950      2.464011      7.871212
  H      -6.284053      2.416109      6.096891
  H      -6.459464      4.960379      7.760402
  H      -6.498291      4.866706      5.997040
  H      -8.563147      3.489861      7.803267
  H      -8.742124      5.105876      7.140612
  H      -8.015112      2.228417      2.868170
  H     -12.598356      2.645212      3.131387
  H     -14.185665      3.511180      4.848581
  H     -13.306404      4.410981      7.009867
  H     -10.871139      4.457453      7.446646
  N      -4.863895      3.886697      3.683080
  H      -5.638871      3.357524      3.273580
  H      -4.996268      4.867051      3.424414
98
Coordinates from ORCA-job orca E -6204.317101720175
  N      -2.924348      1.593939      4.659011
  Mo     -3.595947      3.370025      5.139690
  N      -4.503303      3.214441      6.863478
  C      -3.685398      3.185739      8.067648
  C      -2.410047      2.404665      7.752666
  N      -1.786572      2.930127      6.505097
  C      -0.872270      1.934545      5.861729
  C      -1.557652      1.170676      4.709765
  C      -1.087588      4.225754      6.716296
  C      -1.253206      5.048453      5.439549
  N      -2.671156      5.142344      5.129737
  H      -1.027465      1.386357      3.759898
  H      -1.488472      0.080222      4.883362
  H       0.000510      2.480962      5.481458
  H      -0.510273      1.249642      6.643662
  H      -0.809574      6.054065      5.559729
  H      -0.708881      4.551511      4.616903
  H      -1.587641      4.750728      7.542712
  H      -0.030294      4.062184      6.993733
  H      -4.221198      2.673297      8.890442
  H      -3.441624      4.202564      8.436128
  H      -2.684741      1.361596      7.541556
  H      -1.694673      2.423637      8.595926
  C      -3.908046      0.953826      3.822087
  C      -4.349652     -0.462122      4.213342
  C      -5.745151     -0.752512      3.645041
  C      -5.837035     -0.395646      2.184878
  N      -6.329161      0.812464      1.905465
  C      -6.349742      1.195441      0.609040
  N      -5.970677      0.504678     -0.457320
  C      -5.496385     -0.751444     -0.197449
  C      -5.097260     -1.573242     -1.282290
  C      -4.606188     -2.844844     -1.060877
  C      -4.491311     -3.343245      0.260446
  C      -4.875223     -2.563785      1.335696
  C      -5.391259     -1.259463      1.136689
  C      -3.358043      6.290454      5.723558
  C      -3.310578      7.572169      4.877873
  C      -4.163739      7.512997      3.605812
  C      -5.649695      7.402110      3.851104
  N      -6.113580      7.934884      4.978786
  C      -7.440385      7.798435      5.242047
  N      -8.348475      7.147690      4.537026
  C      -7.889633      6.609201      3.357812
  C      -8.793445      5.873298      2.554069
  C      -8.365535      5.281464      1.385520
  C      -7.016657      5.428968      0.958315
  C      -6.119690      6.171514      1.700362
  C      -6.533515      6.746401      2.932782
  C      -5.946126      3.027241      6.974434
  C      -6.756710      4.324331      6.924772
  C      -8.266311      4.138979      6.955319
  C      -8.904610      3.574764      5.707593
  N      -8.118599      3.069862      4.761654
  C      -8.710710      2.584122      3.641211
  N     -10.002700      2.539434      3.347685
  C     -10.826239      3.054380      4.313096
  C     -12.233071      3.059183      4.082087
  C     -13.097998      3.566583      5.024494
  C     -12.600531      4.092277      6.243854
  C     -11.236751      4.103611      6.492924
  C     -10.324433      3.589081      5.536652
  H      -3.629419      0.969386      2.747685
  H      -4.779256      1.617286      3.925253
  H      -4.413092     -0.537065      5.313621
  H      -3.615665     -1.207025      3.866849
  H      -6.025913     -1.796424      3.830018
  H      -6.472883     -0.107395      4.157630
  H      -6.732280      2.206840      0.443004
  H      -5.196400     -1.168705     -2.290654
  H      -4.307717     -3.471584     -1.902699
  H      -4.101619     -4.349189      0.424176
  H      -4.787348     -2.960147      2.347732
  H      -4.412751      6.022108      5.910062
  H      -2.935911      6.514152      6.726837
  H      -2.266812      7.791113      4.592200
  H      -3.661270      8.396801      5.515780
  H      -4.006798      8.435295      3.013393
  H      -3.819457      6.688973      2.958805
  H      -7.804250      8.268126      6.164497
  H      -9.820406      5.763859      2.915138
  H      -9.065978      4.683812      0.799583
  H      -6.652211      4.923759      0.064302
  H      -5.088177      6.274844      1.355450
  H      -6.160862      2.479727      7.913407
  H      -6.291450      2.398319      6.141704
  H      -6.458565      4.970071      7.762910
  H      -6.486183      4.852649      6.000350
  H      -8.570133      3.515759      7.814662
  H      -8.734056      5.121252      7.125124
  H      -8.017286      2.160889      2.905009
  H     -12.595568      2.650633      3.138533
  H     -14.178270      3.567237      4.834170
  H     -13.296411      4.492068      6.983000
  H     -10.863157      4.512828      7.429981
  N      -4.880617      3.885753      3.706339
  H      -5.671558      3.375566      3.306178
  H      -4.997079      4.867183      3.445673
98
Coordinates from ORCA-job orca E -6204.317677513198
  N      -2.946918      1.598025      4.646008
  Mo     -3.605263      3.369595      5.152381
  N      -4.501606      3.208995      6.884616
  C      -3.670957      3.176015      8.079633
  C      -2.398422      2.395389      7.749521
  N      -1.791724      2.922880      6.492851
  C      -0.884228      1.927171      5.835721
  C      -1.584851      1.158862      4.696767
  C      -1.083771      4.216339      6.701990
  C      -1.258346      5.047850      5.433760
  N      -2.678893      5.145291      5.133451
  H      -1.056820      1.357510      3.742428
  H      -1.526746      0.069752      4.881056
  H      -0.019692      2.476998      5.441964
  H      -0.506901      1.245780      6.613276
  H      -0.813772      6.051910      5.562148
  H      -0.718476      4.561523      4.601862
  H      -1.574412      4.738708      7.535688
  H      -0.025513      4.044293      6.969716
  H      -4.197247      2.662991      8.908395
  H      -3.420445      4.191376      8.448244
  H      -2.674589      1.351776      7.542554
  H      -1.671254      2.415435      8.582605
  C      -3.940252      0.959351      3.822307
  C      -4.368156     -0.460030      4.215251
  C      -5.756385     -0.772175      3.639196
  C      -5.847702     -0.408430      2.180180
  N      -6.366019      0.788918      1.903382
  C      -6.390525      1.177046      0.607885
  N      -5.993182      0.499162     -0.459458
  C      -5.491912     -0.747340     -0.203293
  C      -5.073833     -1.556241     -1.290808
  C      -4.555586     -2.817401     -1.072065
  C      -4.431175     -3.316943      0.248170
  C      -4.833324     -2.549829      1.326012
  C      -5.378388     -1.257122      1.129659
  C      -3.359569      6.296922      5.726698
  C      -3.315577      7.575030      4.875729
  C      -4.165672      7.509410      3.601743
  C      -5.652243      7.407703      3.848652
  N      -6.113290      7.959489      4.967019
  C      -7.441209      7.836304      5.230882
  N      -8.352505      7.181395      4.534478
  C      -7.896275      6.617409      3.367303
  C      -8.803129      5.870964      2.576477
  C      -8.375554      5.250465      1.423145
  C      -7.024327      5.377624      0.998817
  C      -6.126182      6.132907      1.725189
  C      -6.538369      6.738801      2.942214
  C      -5.944017      3.023509      7.004478
  C      -6.750774      4.323170      6.928717
  C      -8.262299      4.148842      6.951049
  C      -8.897015      3.571060      5.708181
  N      -8.110662      3.043779      4.774919
  C      -8.700700      2.548375      3.656719
  N      -9.991384      2.515950      3.356767
  C     -10.816366      3.052892      4.309000
  C     -12.221057      3.067701      4.069695
  C     -13.086638      3.597558      4.999648
  C     -12.590963      4.136629      6.213419
  C     -11.229306      4.138693      6.470208
  C     -10.316287      3.600091      5.527723
  H      -3.671348      0.972084      2.745037
  H      -4.812519      1.627214      3.926735
  H      -4.436115     -0.535554      5.315532
  H      -3.621512     -1.194861      3.873142
  H      -6.017355     -1.823027      3.816637
  H      -6.498449     -0.144803      4.153695
  H      -6.794406      2.180363      0.444158
  H      -5.180756     -1.150018     -2.298122
  H      -4.243340     -3.435515     -1.915469
  H      -4.018956     -4.314363      0.408713
  H      -4.737372     -2.946511      2.337606
  H      -4.413156      6.031444      5.925179
  H      -2.927601      6.526053      6.724790
  H      -2.271185      7.796769      4.592808
  H      -3.671644      8.401472      5.508996
  H      -4.005679      8.428440      3.004107
  H      -3.823087      6.680590      2.959405
  H      -7.799874      8.322304      6.146681
  H      -9.832158      5.777015      2.935911
  H      -9.077957      4.644756      0.847793
  H      -6.659761      4.846287      0.120252
  H      -5.092730      6.221258      1.381723
  H      -6.157898      2.496327      7.955263
  H      -6.294190      2.376834      6.186977
  H      -6.456251      4.980375      7.759812
  H      -6.470994      4.835659      5.997371
  H      -8.577412      3.542994      7.818856
  H      -8.723676      5.137526      7.101669
  H      -8.005984      2.107118      2.930809
  H     -12.582084      2.648450      3.130451
  H     -14.165642      3.605231      4.804071
  H     -13.287611      4.554348      6.942104
  H     -10.857146      4.558176      7.403161
  N      -4.905732      3.892762      3.733356
  H      -5.713964      3.401686      3.344459
  H      -4.999269      4.874777      3.465873
98
Coordinates from ORCA-job orca E -6204.318393922200
  N      -2.963033      1.593163      4.636347
  Mo     -3.611836      3.360929      5.158458
  N      -4.500305      3.195883      6.896799
  C      -3.657957      3.159499      8.084527
  C      -2.385615      2.382444      7.743553
  N      -1.793509      2.913479      6.479363
  C      -0.890303      1.919018      5.811556
  C      -1.605175      1.139732      4.688855
  C      -1.081396      4.206840      6.687278
  C      -1.267443      5.048011      5.427434
  N      -2.690990      5.144251      5.135345
  H      -1.079880      1.317263      3.729013
  H      -1.557071      0.053058      4.888819
  H      -0.036905      2.473721      5.400768
  H      -0.494611      1.244990      6.586297
  H      -0.825718      6.051874      5.564596
  H      -0.729663      4.575020      4.586563
  H      -1.563120      4.723980      7.529203
  H      -0.021733      4.029810      6.943907
  H      -4.174984      2.646559      8.918897
  H      -3.403063      4.174285      8.451468
  H      -2.659304      1.337403      7.540614
  H      -1.649788      2.406385      8.568936
  C      -3.965003      0.954465      3.824012
  C      -4.384269     -0.466169      4.219637
  C      -5.764008     -0.797622      3.632133
  C      -5.852714     -0.427787      2.174006
  N      -6.396343      0.758900      1.899574
  C      -6.423725      1.152206      0.605245
  N      -6.005535      0.488362     -0.462737
  C      -5.476114     -0.747788     -0.210034
  C      -5.034043     -1.541328     -1.299529
  C      -4.487219     -2.791014     -1.082946
  C      -4.357565     -3.292687      0.236105
  C      -4.783028     -2.540292      1.316311
  C      -5.357689     -1.260214      1.122112
  C      -3.367109      6.296047      5.734156
  C      -3.330031      7.573936      4.881774
  C      -4.175981      7.506719      3.604386
  C      -5.664759      7.417771      3.846566
  N      -6.127296      7.989697      4.953313
  C      -7.458014      7.882135      5.211951
  N      -8.369883      7.224107      4.520564
  C      -7.912161      6.633093      3.368275
  C      -8.819169      5.875289      2.588095
  C      -8.388878      5.226874      1.451679
  C      -7.035564      5.336646      1.033135
  C      -6.137977      6.103331      1.747163
  C      -6.551101      6.738414      2.948051
  C      -5.942812      3.012979      7.026461
  C      -6.741730      4.316507      6.927792
  C      -8.255693      4.160042      6.946063
  C      -8.893340      3.573527      5.709169
  N      -8.113210      3.022420      4.784563
  C      -8.707874      2.521270      3.670013
  N      -9.998159      2.504356      3.369930
  C     -10.817958      3.064444      4.313600
  C     -12.221220      3.092096      4.073318
  C     -13.080778      3.646162      4.995531
  C     -12.579207      4.197712      6.201063
  C     -11.218553      4.187106      6.458876
  C     -10.311891      3.621920      5.525585
  H      -3.702551      0.961223      2.744608
  H      -4.836775      1.627038      3.924324
  H      -4.459337     -0.540595      5.319713
  H      -3.626211     -1.192955      3.884591
  H      -6.005990     -1.854979      3.801069
  H      -6.520834     -0.188184      4.147164
  H      -6.850767      2.146479      0.443185
  H      -5.145656     -1.132768     -2.305957
  H      -4.156869     -3.398405     -1.927783
  H      -3.922218     -4.280656      0.394197
  H      -4.682429     -2.938427      2.327448
  H      -4.417983      6.030604      5.945977
  H      -2.923241      6.529048      6.726202
  H      -2.285680      7.802364      4.603286
  H      -3.694390      8.398353      5.513491
  H      -4.008405      8.422607      3.003498
  H      -3.834610      6.673361      2.967180
  H      -7.815438      8.387159      6.118353
  H      -9.850672      5.795696      2.942483
  H      -9.091022      4.612675      0.885003
  H      -6.670227      4.781909      0.169537
  H      -5.102626      6.178800      1.407152
  H      -6.155165      2.506398      7.988616
  H      -6.299658      2.350188      6.224771
  H      -6.445438      4.982459      7.751414
  H      -6.452725      4.811898      5.990010
  H      -8.582248      3.572735      7.822254
  H      -8.704761      5.156814      7.080170
  H      -8.016930      2.062078      2.950211
  H     -12.586721      2.662920      3.140049
  H     -14.159351      3.663016      4.800457
  H     -13.271363      4.635289      6.922735
  H     -10.841819      4.616041      7.385925
  N      -4.918830      3.887703      3.746796
  H      -5.739155      3.411949      3.366729
  H      -4.994369      4.868703      3.473048
98
Coordinates from ORCA-job orca E -6204.318865220045
  N      -2.976866      1.586838      4.626876
  Mo     -3.620532      3.350243      5.160315
  N      -4.501275      3.182813      6.904702
  C      -3.648551      3.146189      8.085854
  C      -2.375204      2.374254      7.736135
  N      -1.797351      2.906846      6.464292
  C      -0.896439      1.913460      5.789845
  C      -1.622503      1.121654      4.683450
  C      -1.082972      4.201027      6.668721
  C      -1.278950      5.046545      5.414013
  N      -2.705224      5.141039      5.129030
  H      -1.099081      1.277737      3.719127
  H      -1.583115      0.038097      4.900008
  H      -0.053411      2.472100      5.363531
  H      -0.484427      1.247843      6.563061
  H      -0.839707      6.050438      5.556213
  H      -0.743381      4.582940      4.566609
  H      -1.558137      4.715410      7.515816
  H      -0.022357      4.021284      6.917248
  H      -4.156220      2.633032      8.925621
  H      -3.391990      4.161186      8.450592
  H      -2.644741      1.327147      7.538890
  H      -1.631681      2.404583      8.554239
  C      -3.984902      0.945396      3.826300
  C      -4.393652     -0.476808      4.225160
  C      -5.765213     -0.827937      3.627632
  C      -5.854452     -0.450977      2.170882
  N      -6.422726      0.725646      1.901177
  C      -6.454373      1.126409      0.608952
  N      -6.017501      0.478442     -0.460995
  C      -5.461244     -0.747942     -0.214265
  C      -4.997815     -1.524183     -1.307303
  C      -4.424255     -2.763166     -1.095561
  C      -4.288539     -3.269623      0.221058
  C      -4.734405     -2.533754      1.305203
  C      -5.336697     -1.265572      1.116004
  C      -3.375760      6.292802      5.736555
  C      -3.339969      7.572778      4.887037
  C      -4.183856      7.509714      3.607795
  C      -5.674644      7.437977      3.847353
  N      -6.136545      8.030623      4.942737
  C      -7.468857      7.936567      5.199285
  N      -8.381976      7.272243      4.516415
  C      -7.924930      6.653844      3.379342
  C      -8.832270      5.880862      2.614212
  C      -8.400244      5.203056      1.495691
  C      -7.046445      5.298228      1.079055
  C      -6.149275      6.079771      1.776738
  C      -6.562120      6.745475      2.960508
  C      -5.943766      3.003241      7.044880
  C      -6.735155      4.309825      6.923483
  C      -8.251291      4.169429      6.937328
  C      -8.891743      3.573652      5.706703
  N      -8.118226      2.997090      4.792360
  C      -8.717471      2.488579      3.682400
  N     -10.007021      2.486964      3.381708
  C     -10.821351      3.072369      4.314867
  C     -12.222984      3.113652      4.072647
  C     -13.076018      3.694453      4.985083
  C     -12.568350      4.260144      6.181223
  C     -11.208955      4.236013      6.440990
  C     -10.309148      3.641937      5.518948
  H      -3.728155      0.946703      2.745133
  H      -4.858066      1.620600      3.922293
  H      -4.474405     -0.550390      5.324974
  H      -3.624371     -1.194912      3.896182
  H      -5.987495     -1.891531      3.787987
  H      -6.535766     -0.237091      4.144321
  H      -6.903005      2.112173      0.450451
  H      -5.114734     -1.111346     -2.311900
  H      -4.077837     -3.358285     -1.943106
  H      -3.831727     -4.248726      0.374612
  H      -4.628601     -2.935475      2.314898
  H      -4.425023      6.029764      5.957958
  H      -2.922080      6.524618      6.724610
  H      -2.294969      7.803289      4.612354
  H      -3.707692      8.395649      5.519418
  H      -4.005890      8.421573      3.003784
  H      -3.848078      6.670448      2.975135
  H      -7.824130      8.461578      6.095361
  H      -9.865006      5.813653      2.966221
  H      -9.101932      4.577289      0.941307
  H      -6.681649      4.720393      0.230406
  H      -5.113208      6.144586      1.437303
  H      -6.153755      2.517978      8.018356
  H      -6.307694      2.324339      6.259925
  H      -6.437704      4.984577      7.739598
  H      -6.437143      4.788473      5.979942
  H      -8.587805      3.599464      7.821083
  H      -8.689284      5.173149      7.055877
  H      -8.030601      2.010505      2.969690
  H     -12.593067      2.673245      3.146244
  H     -14.153978      3.721306      4.789721
  H     -13.255575      4.719542      6.894319
  H     -10.827519      4.675725      7.361237
  N      -4.937758      3.874809      3.757370
  H      -5.766621      3.409640      3.384946
  H      -4.992885      4.852525      3.469680
98
Coordinates from ORCA-job orca E -6204.319398963543
  N      -2.992702      1.587352      4.610020
  Mo     -3.629196      3.346580      5.157589
  N      -4.499774      3.173831      6.907212
  C      -3.635762      3.133469      8.081232
  C      -2.361244      2.366808      7.718970
  N      -1.798152      2.904810      6.440293
  C      -0.900880      1.914561      5.755930
  C      -1.642814      1.107490      4.670932
  C      -1.081366      4.199590      6.642775
  C      -1.290332      5.052219      5.395325
  N      -2.720422      5.145036      5.123953
  H      -1.123420      1.236767      3.700650
  H      -1.614131      0.027823      4.908104
  H      -0.072994      2.479158      5.308061
  H      -0.465515      1.258773      6.525053
  H      -0.852517      6.055846      5.542955
  H      -0.760559      4.599929      4.538671
  H      -1.546833      4.708763      7.497909
  H      -0.018632      4.016890      6.879089
  H      -4.133503      2.618593      8.925715
  H      -3.377221      4.148394      8.444846
  H      -2.626562      1.317808      7.524663
  H      -1.608921      2.401019      8.528901
  C      -4.007112      0.944491      3.820901
  C      -4.409018     -0.478071      4.227016
  C      -5.773387     -0.850096      3.624531
  C      -5.866117     -0.474306      2.167580
  N      -6.459459      0.689315      1.895225
  C      -6.498131      1.087037      0.601666
  N      -6.044052      0.448067     -0.465685
  C      -5.459132     -0.765010     -0.216531
  C      -4.973087     -1.529635     -1.307090
  C      -4.369627     -2.754132     -1.090714
  C      -4.226631     -3.255734      0.226831
  C      -4.694527     -2.530881      1.309198
  C      -5.326640     -1.277819      1.115519
  C      -3.382567      6.293154      5.747810
  C      -3.349343      7.579632      4.909598
  C      -4.188540      7.521898      3.627332
  C      -5.678840      7.454732      3.869133
  N      -6.139651      8.058339      4.958418
  C      -7.471209      7.966782      5.216321
  N      -8.384113      7.298170      4.537728
  C      -7.928906      6.664457      3.410044
  C      -8.836150      5.882120      2.653719
  C      -8.402281      5.186765      1.546614
  C      -7.048344      5.274603      1.131825
  C      -6.152880      6.067192      1.819312
  C      -6.565339      6.750076      2.991896
  C      -5.943433      2.998429      7.056402
  C      -6.728774      4.307228      6.904583
  C      -8.247053      4.180680      6.919948
  C      -8.890818      3.569656      5.698021
  N      -8.121268      2.968422      4.797048
  C      -8.722190      2.450526      3.690699
  N     -10.010191      2.461794      3.386499
  C     -10.822034      3.072213      4.306028
  C     -12.220845      3.126920      4.056619
  C     -13.069881      3.734972      4.955512
  C     -12.560141      4.315262      6.143270
  C     -11.202858      4.277942      6.410035
  C     -10.307252      3.655116      5.502961
  H      -3.756663      0.939047      2.738097
  H      -4.880528      1.622751      3.912835
  H      -4.492320     -0.546358      5.326795
  H      -3.631743     -1.190831      3.904697
  H      -5.974297     -1.919448      3.781019
  H      -6.556599     -0.277577      4.143000
  H      -6.968767      2.061579      0.438617
  H      -5.096282     -1.120500     -2.312797
  H      -4.005455     -3.340901     -1.936547
  H      -3.746089     -4.223110      0.383714
  H      -4.583037     -2.929093      2.319981
  H      -4.429565      6.031170      5.977938
  H      -2.916263      6.517701      6.731613
  H      -2.304400      7.819627      4.642676
  H      -3.726134      8.395307      5.546586
  H      -4.004868      8.433652      3.024329
  H      -3.853166      6.681382      2.995723
  H      -7.820944      8.497500      6.110573
  H      -9.870320      5.822267      3.002212
  H      -9.102653      4.553076      0.999428
  H      -6.684743      4.683869      0.291554
  H      -5.117118      6.129944      1.479180
  H      -6.151516      2.539933      8.042892
  H      -6.311718      2.298759      6.291260
  H      -6.426376      4.996915      7.707636
  H      -6.426987      4.762841      5.950068
  H      -8.590289      3.631257      7.814650
  H      -8.674718      5.191470      7.019362
  H      -8.036426      1.956334      2.986805
  H     -12.592205      2.675451      3.136168
  H     -14.146125      3.772187      4.755657
  H     -13.244471      4.797157      6.844540
  H     -10.819768      4.729504      7.323796
  N      -4.952585      3.873870      3.763299
  H      -5.802471      3.430964      3.410633
  H      -4.990586      4.850254      3.468802
98
Coordinates from ORCA-job orca E -6204.319937918249
  N      -3.001507      1.577452      4.600536
  Mo     -3.636195      3.335800      5.149933
  N      -4.498683      3.158768      6.901167
  C      -3.625923      3.115571      8.070191
  C      -2.348819      2.356459      7.700289
  N      -1.795774      2.901029      6.418730
  C      -0.900120      1.916578      5.725654
  C      -1.655484      1.086656      4.667837
  C      -1.081125      4.197429      6.620606
  C      -1.303861      5.055780      5.380128
  N      -2.737134      5.143574      5.120912
  H      -1.140908      1.184461      3.691414
  H      -1.634980      0.013273      4.932597
  H      -0.093652      2.489553      5.250822
  H      -0.435394      1.275976      6.490636
  H      -0.869565      6.060209      5.531547
  H      -0.778371      4.613862      4.515691
  H      -1.538068      4.699925      7.484112
  H      -0.015760      4.015494      6.844287
  H      -4.115616      2.599159      8.917618
  H      -3.367909      4.131187      8.431822
  H      -2.606792      1.305340      7.506937
  H      -1.592048      2.396039      8.505901
  C      -4.020140      0.930660      3.821263
  C      -4.418688     -0.490232      4.235177
  C      -5.777286     -0.876000      3.626899
  C      -5.870537     -0.498757      2.170098
  N      -6.481630      0.655724      1.897855
  C      -6.525220      1.053749      0.604198
  N      -6.056557      0.424324     -0.461964
  C      -5.448980     -0.778308     -0.213154
  C      -4.941907     -1.529622     -1.302691
  C      -4.314273     -2.741993     -1.084891
  C      -4.168887     -3.243511      0.232126
  C      -4.657848     -2.531760      1.314215
  C      -5.313223     -1.290965      1.119295
  C      -3.393470      6.285653      5.762255
  C      -3.366118      7.580286      4.936001
  C      -4.200715      7.531084      3.649746
  C      -5.691746      7.470335      3.889194
  N      -6.153517      8.086278      4.971728
  C      -7.485921      8.001707      5.227255
  N      -8.398875      7.331427      4.550564
  C      -7.943900      6.682382      3.432207
  C      -8.850910      5.892724      2.682726
  C      -8.416228      5.183815      1.584294
  C      -7.063613      5.267727      1.169023
  C      -6.168135      6.066574      1.850304
  C      -6.578464      6.760207      3.016523
  C      -5.943382      2.989600      7.058955
  C      -6.717226      4.302687      6.882486
  C      -8.237288      4.197127      6.899664
  C      -8.886250      3.577964      5.684687
  N      -8.123418      2.956232      4.792923
  C      -8.729901      2.430923      3.691537
  N     -10.017235      2.451355      3.388902
  C     -10.823231      3.081948      4.299627
  C     -12.220618      3.144607      4.050353
  C     -13.062907      3.774089      4.941144
  C     -12.546837      4.368642      6.118730
  C     -11.190093      4.323085      6.385619
  C     -10.301762      3.677265      5.487995
  H      -3.773398      0.917233      2.737406
  H      -4.895727      1.610947      3.906548
  H      -4.504412     -0.552951      5.334931
  H      -3.636302     -1.200511      3.919480
  H      -5.961930     -1.949768      3.777827
  H      -6.570962     -0.319116      4.146811
  H      -7.014251      2.019301      0.439215
  H      -5.067497     -1.120633     -2.308452
  H      -3.932852     -3.318518     -1.930417
  H      -3.669515     -4.201083      0.390202
  H      -4.544261     -2.930363      2.324889
  H      -4.437367      6.021301      6.000534
  H      -2.915537      6.503078      6.741815
  H      -2.322023      7.831851      4.677082
  H      -3.753181      8.386250      5.579359
  H      -4.008508      8.443051      3.049493
  H      -3.865334      6.690123      3.019108
  H      -7.833132      8.542095      6.117188
  H      -9.885981      5.838783      3.028083
  H      -9.115838      4.544562      1.042472
  H      -6.703460      4.669760      0.332180
  H      -5.133126      6.128509      1.508221
  H      -6.150394      2.554330      8.055817
  H      -6.317321      2.274873      6.310671
  H      -6.405779      5.002339      7.673595
  H      -6.411000      4.735800      5.919210
  H      -8.589000      3.667059      7.802470
  H      -8.649794      5.215678      6.983716
  H      -8.048486      1.923240      2.993423
  H     -12.596659      2.682252      3.137033
  H     -14.138710      3.817307      4.742417
  H     -13.225946      4.868412      6.812422
  H     -10.802037      4.786005      7.291801
  N      -4.965143      3.858759      3.762173
  H      -5.824474      3.424696      3.422230
  H      -4.973504      4.826505      3.438275
98
Coordinates from ORCA-job orca E -6204.320532023571
  N      -3.006699      1.573511      4.587970
  Mo     -3.638938      3.332487      5.135235
  N      -4.496109      3.151768      6.885637
  C      -3.617344      3.103320      8.051374
  C      -2.337786      2.349776      7.675009
  N      -1.789482      2.902020      6.393573
  C      -0.895961      1.923347      5.692927
  C      -1.665761      1.069136      4.664913
  C      -1.076979      4.199508      6.596102
  C      -1.312442      5.063412      5.361046
  N      -2.748798      5.147743      5.115078
  H      -1.155027      1.131090      3.683559
  H      -1.656487      0.003414      4.960530
  H      -0.113048      2.504034      5.188761
  H      -0.400096      1.299132      6.452545
  H      -0.879737      6.068278      5.513955
  H      -0.792971      4.628907      4.489730
  H      -1.524950      4.695546      7.467620
  H      -0.008837      4.018589      6.807366
  H      -4.101785      2.584193      8.899624
  H      -3.360174      4.119155      8.412895
  H      -2.590040      1.297441      7.479431
  H      -1.578760      2.391063      8.478599
  C      -4.028622      0.923709      3.814864
  C      -4.429998     -0.493602      4.239445
  C      -5.784895     -0.889380      3.628450
  C      -5.877251     -0.518858      2.169628
  N      -6.499646      0.627943      1.889844
  C      -6.545013      1.017913      0.593229
  N      -6.064100      0.389274     -0.467335
  C      -5.440351     -0.803867     -0.210405
  C      -4.914839     -1.550434     -1.293162
  C      -4.269425     -2.752030     -1.065312
  C      -4.125884     -3.246600      0.254152
  C      -4.633726     -2.539602      1.330472
  C      -5.305567     -1.309141      1.125676
  C      -3.397550      6.280927      5.779062
  C      -3.378637      7.586042      4.969962
  C      -4.212691      7.546278      3.682703
  C      -5.702523      7.483425      3.926694
  N      -6.162120      8.098430      5.010770
  C      -7.492336      8.008820      5.270504
  N      -8.405546      7.338363      4.593920
  C      -7.954197      6.689517      3.475693
  C      -8.861307      5.897530      2.728423
  C      -8.427144      5.187529      1.630068
  C      -7.076440      5.275244      1.211149
  C      -6.181499      6.077152      1.890797
  C      -6.589276      6.769766      3.057798
  C      -5.942534      2.988638      7.048755
  C      -6.709199      4.302985      6.844744
  C      -8.230790      4.211505      6.870236
  C      -8.886919      3.580087      5.664903
  N      -8.130015      2.939845      4.781572
  C      -8.741822      2.406725      3.685432
  N     -10.028664      2.435367      3.384443
  C     -10.829477      3.085078      4.286765
  C     -12.225158      3.157874      4.036092
  C     -13.060740      3.809016      4.918348
  C     -12.538962      4.415628      6.086778
  C     -11.183000      4.359771      6.355218
  C     -10.301898      3.691353      5.467242
  H      -3.782035      0.900815      2.731075
  H      -4.903898      1.605597      3.891008
  H      -4.517033     -0.546883      5.339355
  H      -3.646455     -1.206111      3.931609
  H      -5.958669     -1.965646      3.780159
  H      -6.585793     -0.341303      4.147059
  H      -7.046444      1.975415      0.418984
  H      -5.039606     -1.147392     -2.301575
  H      -3.872558     -3.324289     -1.906261
  H      -3.612945     -4.195579      0.420591
  H      -4.521840     -2.933644      2.343296
  H      -4.437924      6.013071      6.025488
  H      -2.906181      6.487521      6.754062
  H      -2.336830      7.852416      4.717293
  H      -3.775736      8.378947      5.623688
  H      -4.017042      8.460682      3.087438
  H      -3.876860      6.707753      3.049319
  H      -7.833605      8.544867      6.164762
  H      -9.895845      5.841767      3.073663
  H      -9.125458      4.544819      1.090533
  H      -6.719596      4.678690      0.371259
  H      -5.148043      6.145635      1.543935
  H      -6.148633      2.578471      8.055916
  H      -6.318980      2.256619      6.318352
  H      -6.387010      5.016270      7.619791
  H      -6.405436      4.712088      5.869948
  H      -8.584713      3.699645      7.782751
  H      -8.632388      5.235970      6.939177
  H      -8.064200      1.886694      2.992667
  H     -12.605301      2.686635      3.128916
  H     -14.135563      3.860488      4.719095
  H     -13.212798      4.933447      6.772646
  H     -10.790258      4.833103      7.254177
  N      -4.966230      3.854136      3.751171
  H      -5.845185      3.440410      3.434960
  H      -4.948409      4.813552      3.404064
98
Coordinates from ORCA-job orca E -6204.321185859578
  N      -3.006916      1.567743      4.575562
  Mo     -3.638641      3.329700      5.114783
  N      -4.491372      3.146444      6.862193
  C      -3.608246      3.091559      8.025522
  C      -2.327195      2.342552      7.644808
  N      -1.779273      2.903418      6.367127
  C      -0.887945      1.931871      5.658847
  C      -1.671014      1.051274      4.663865
  C      -1.069932      4.201279      6.572073
  C      -1.318502      5.070287      5.342553
  N      -2.757552      5.151126      5.110541
  H      -1.164254      1.074702      3.678796
  H      -1.672357     -0.004710      4.993456
  H      -0.132323      2.520372      5.123105
  H      -0.358394      1.325965      6.411167
  H      -0.886639      6.075597      5.494943
  H      -0.806040      4.641123      4.464816
  H      -1.508519      4.690220      7.452134
  H       0.001262      4.022758      6.770246
  H      -4.089703      2.570177      8.873299
  H      -3.351568      4.107398      8.387115
  H      -2.574741      1.289906      7.444157
  H      -1.568624      2.382901      8.449002
  C      -4.030898      0.914083      3.807077
  C      -4.437895     -0.497391      4.245485
  C      -5.792241     -0.897784      3.635523
  C      -5.884436     -0.537959      2.174084
  N      -6.513681      0.603107      1.884698
  C      -6.561640      0.981219      0.584349
  N      -6.072118      0.348567     -0.469403
  C      -5.435966     -0.836301     -0.201909
  C      -4.894712     -1.582431     -1.276062
  C      -4.235719     -2.774729     -1.035584
  C      -4.096078     -3.260155      0.287084
  C      -4.620107     -2.553687      1.355842
  C      -5.303299     -1.331505      1.138647
  C      -3.399159      6.272432      5.800953
  C      -3.394230      7.589596      5.011720
  C      -4.232351      7.561923      3.726445
  C      -5.720509      7.494397      3.977557
  N      -6.177106      8.102134      5.067832
  C      -7.505430      8.007301      5.332003
  N      -8.420283      7.341796      4.651881
  C      -7.973206      6.699688      3.528977
  C      -8.881748      5.912217      2.778259
  C      -8.449660      5.209502      1.673658
  C      -7.102016      5.304667      1.249288
  C      -6.205907      6.102763      1.933452
  C      -6.608803      6.783936      3.108437
  C      -5.939362      2.991098      7.028890
  C      -6.695898      4.307421      6.800001
  C      -8.218398      4.231393      6.832556
  C      -8.878888      3.588737      5.635501
  N      -8.125463      2.933468      4.760867
  C      -8.740844      2.390408      3.670466
  N     -10.027287      2.422435      3.370588
  C     -10.825204      3.087342      4.264169
  C     -12.219589      3.164696      4.011908
  C     -13.050799      3.833188      4.885642
  C     -12.525421      4.452663      6.045077
  C     -11.169897      4.391812      6.315302
  C     -10.293629      3.705735      5.436867
  H      -3.782523      0.879938      2.724052
  H      -4.905602      1.596933      3.872747
  H      -4.523947     -0.538735      5.345607
  H      -3.656823     -1.215719      3.945369
  H      -5.961092     -1.974876      3.791680
  H      -6.596212     -0.352411      4.152283
  H      -7.073249      1.931508      0.398904
  H      -5.017088     -1.187408     -2.287966
  H      -3.825039     -3.345590     -1.870675
  H      -3.573214     -4.201802      0.464176
  H      -4.511213     -2.941348      2.371498
  H      -4.434660      5.998096      6.057452
  H      -2.892352      6.467421      6.770018
  H      -2.356395      7.872432      4.761924
  H      -3.799696      8.366767      5.679206
  H      -4.035185      8.480373      3.138305
  H      -3.897096      6.727902      3.087272
  H      -7.840890      8.535218      6.233217
  H      -9.915956      5.853350      3.123394
  H      -9.148243      4.569165      1.131471
  H      -6.751219      4.718613      0.399273
  H      -5.175588      6.181840      1.580098
  H      -6.146295      2.603249      8.044224
  H      -6.318187      2.245407      6.313698
  H      -6.362065      5.031971      7.559506
  H      -6.394406      4.693799      5.815306
  H      -8.575187      3.736474      7.753079
  H      -8.608999      5.261242      6.887089
  H      -8.065735      1.860681      2.983428
  H     -12.602224      2.683794      3.110825
  H     -14.124930      3.888756      4.685580
  H     -13.195645      4.984893      6.723136
  H     -10.774120      4.876223      7.207119
  N      -4.966033      3.848140      3.735221
  H      -5.856161      3.442389      3.438827
  H      -4.931834      4.799637      3.366883
98
Coordinates from ORCA-job orca E -6204.321844012369
  N      -3.003651      1.566482      4.562828
  Mo     -3.635337      3.333213      5.087728
  N      -4.489733      3.150287      6.829341
  C      -3.606937      3.088053      7.992923
  C      -2.325186      2.339994      7.612633
  N      -1.769815      2.907990      6.342482
  C      -0.880404      1.942228      5.630149
  C      -1.673978      1.037035      4.666951
  C      -1.062545      4.204694      6.551283
  C      -1.318999      5.076656      5.324433
  N      -2.759283      5.157157      5.102779
  H      -1.167988      1.021054      3.681336
  H      -1.688267     -0.007765      5.031040
  H      -0.150165      2.536112      5.065442
  H      -0.320888      1.354141      6.375607
  H      -0.885468      6.081826      5.473447
  H      -0.812930      4.647624      4.443343
  H      -1.493637      4.688614      7.437529
  H       0.010921      4.027985      6.740033
  H      -4.089989      2.564641      8.838073
  H      -3.350649      4.103363      8.356052
  H      -2.570885      1.288191      7.404851
  H      -1.571018      2.375856      8.421343
  C      -4.026778      0.908678      3.794964
  C      -4.443001     -0.495683      4.248123
  C      -5.797753     -0.897160      3.638343
  C      -5.885393     -0.552891      2.172769
  N      -6.513891      0.585038      1.868829
  C      -6.558654      0.947723      0.563787
  N      -6.061599      0.305352     -0.480110
  C      -5.421776     -0.874110     -0.197002
  C      -4.867841     -1.626401     -1.259088
  C      -4.204748     -2.813068     -1.001501
  C      -4.075363     -3.286853      0.325750
  C      -4.612660     -2.574363      1.383538
  C      -5.297770     -1.356458      1.149393
  C      -3.393341      6.266354      5.818398
  C      -3.398762      7.594657      5.048939
  C      -4.244060      7.576955      3.768425
  C      -5.729526      7.502814      4.030570
  N      -6.180127      8.096510      5.131949
  C      -7.505008      7.992630      5.404179
  N      -8.423306      7.334442      4.720209
  C      -7.983336      6.706596      3.587481
  C      -8.894775      5.927191      2.831680
  C      -8.466927      5.237323      1.716557
  C      -7.122970      5.342185      1.284351
  C      -6.224358      6.133515      1.974546
  C      -6.620837      6.798059      3.161108
  C      -5.938874      2.999009      6.996833
  C      -6.691288      4.314369      6.750188
  C      -8.214324      4.245748      6.794082
  C      -8.882038      3.594096      5.605891
  N      -8.132882      2.932126      4.732136
  C      -8.754347      2.383395      3.647455
  N     -10.041987      2.416131      3.353999
  C     -10.835938      3.088178      4.246489
  C     -12.230251      3.169715      3.997699
  C     -13.055717      3.849021      4.869678
  C     -12.524264      4.474803      6.022377
  C     -11.168065      4.409203      6.289494
  C     -10.297921      3.712579      5.413252
  H      -3.771600      0.862344      2.714118
  H      -4.900610      1.592258      3.846779
  H      -4.529531     -0.523306      5.348453
  H      -3.666029     -1.222426      3.957862
  H      -5.968384     -1.973031      3.803512
  H      -6.602704     -0.347153      4.148983
  H      -7.073838      1.893028      0.363491
  H      -4.982948     -1.241414     -2.275548
  H      -3.782734     -3.387504     -1.828100
  H      -3.550168     -4.224209      0.517120
  H      -4.511845     -2.953852      2.403031
  H      -4.425038      5.987080      6.081344
  H      -2.874206      6.448370      6.782897
  H      -2.364781      7.890041      4.799406
  H      -3.808047      8.358376      5.729603
  H      -4.047822      8.498150      3.184755
  H      -3.911314      6.745989      3.124346
  H      -7.832975      8.506430      6.315916
  H      -9.927425      5.862593      3.179250
  H      -9.166805      4.601308      1.170908
  H      -6.778672      4.770260      0.421696
  H      -5.197575      6.224764      1.613431
  H      -6.145571      2.627906      8.017992
  H      -6.317707      2.242125      6.293497
  H      -6.347691      5.048490      7.495824
  H      -6.396843      4.684458      5.757042
  H      -8.568096      3.761482      7.721363
  H      -8.598932      5.278433      6.840089
  H      -8.082939      1.849375      2.960268
  H     -12.617300      2.684449      3.100701
  H     -14.129772      3.908966      4.672122
  H     -13.189693      5.016295      6.698174
  H     -10.767170      4.900118      7.175701
  N      -4.960144      3.848634      3.711625
  H      -5.861637      3.449889      3.438641
  H      -4.925634      4.798211      3.337787
98
Coordinates from ORCA-job orca E -6204.322481460281
  N      -3.002458      1.568267      4.550655
  Mo     -3.630795      3.340957      5.060321
  N      -4.486790      3.160949      6.796992
  C      -3.604236      3.089819      7.960253
  C      -2.324255      2.339234      7.580178
  N      -1.759823      2.912805      6.318656
  C      -0.874401      1.950703      5.601606
  C      -1.680148      1.023877      4.670275
  C      -1.051864      4.206703      6.531084
  C      -1.315068      5.081317      5.306010
  N      -2.756222      5.164462      5.095193
  H      -1.175573      0.968259      3.685392
  H      -1.708916     -0.008641      5.068219
  H      -0.169073      2.547393      5.008611
  H      -0.286240      1.379265      6.338803
  H      -0.877593      6.085629      5.450164
  H      -0.816933      4.649574      4.421954
  H      -1.474394      4.687131      7.423276
  H       0.023595      4.030112      6.710318
  H      -4.090194      2.565271      8.802526
  H      -3.345807      4.103876      8.325531
  H      -2.571812      1.289361      7.364548
  H      -1.574856      2.367507      8.393648
  C      -4.025806      0.907265      3.783049
  C      -4.453466     -0.488319      4.252709
  C      -5.811266     -0.887852      3.647373
  C      -5.897220     -0.561822      2.177680
  N      -6.523385      0.573893      1.858654
  C      -6.566141      0.919846      0.549033
  N      -6.064336      0.265250     -0.484822
  C      -5.423258     -0.910142     -0.185557
  C      -4.859681     -1.671739     -1.235237
  C      -4.194964     -2.854265     -0.960137
  C      -4.075089     -3.315186      0.371818
  C      -4.622310     -2.593480      1.418168
  C      -5.306880     -1.378272      1.166646
  C      -3.381551      6.262075      5.835356
  C      -3.394851      7.601089      5.085461
  C      -4.249159      7.595326      3.811462
  C      -5.731963      7.517826      4.085258
  N      -6.174909      8.096985      5.198728
  C      -7.496871      7.987423      5.479194
  N      -8.420273      7.338589      4.792180
  C      -7.989179      6.726342      3.647989
  C      -8.905698      5.958835      2.886402
  C      -8.484715      5.283937      1.758767
  C      -7.144854      5.396475      1.317846
  C      -6.241333      6.177368      2.014516
  C      -6.628895      6.823460      3.214437
  C      -5.936237      3.012350      6.965969
  C      -6.687966      4.325110      6.707055
  C      -8.210979      4.255831      6.755685
  C      -8.876540      3.593356      5.572770
  N      -8.123734      2.931138      4.702517
  C      -8.743617      2.372664      3.622072
  N     -10.031793      2.396170      3.330169
  C     -10.829609      3.068329      4.218581
  C     -12.224047      3.142664      3.968780
  C     -13.052041      3.825248      4.836058
  C     -12.522969      4.460226      5.983994
  C     -11.166304      4.400497      6.252638
  C     -10.293781      3.701799      5.381363
  H      -3.763369      0.847050      2.704910
  H      -4.896300      1.592547      3.820812
  H      -4.537998     -0.501040      5.353035
  H      -3.683362     -1.225374      3.971287
  H      -5.987747     -1.961169      3.824471
  H      -6.613272     -0.328499      4.152009
  H      -7.083067      1.861350      0.334131
  H      -4.967912     -1.297822     -2.256368
  H      -3.764104     -3.434666     -1.777903
  H      -3.549479     -4.249421      0.577761
  H      -4.528768     -2.963469      2.441662
  H      -4.410246      5.979337      6.103445
  H      -2.851084      6.430057      6.795715
  H      -2.364304      7.905008      4.834196
  H      -3.804085      8.352717      5.779461
  H      -4.052656      8.518403      3.231766
  H      -3.922446      6.766162      3.162522
  H      -7.817230      8.487391      6.401074
  H      -9.936541      5.890103      3.237438
  H      -9.187993      4.655690      1.208848
  H      -6.808717      4.839999      0.441776
  H      -5.218504      6.278834      1.645239
  H      -6.141834      2.653086      7.991197
  H      -6.314600      2.246978      6.271656
  H      -6.341083      5.066277      7.443598
  H      -6.398447      4.685673      5.709326
  H      -8.562632      3.777756      7.686776
  H      -8.595835      5.289055      6.793620
  H      -8.070396      1.839146      2.937692
  H     -12.609047      2.650563      3.074759
  H     -14.126130      3.881026      4.637364
  H     -13.190078      5.004505      6.655384
  H     -10.767078      4.899611      7.134942
  N      -4.952224      3.856588      3.685699
  H      -5.861355      3.459679      3.432099
  H      -4.922015      4.806511      3.311231
98
Coordinates from ORCA-job orca E -6204.323065044819
  N      -3.000037      1.572096      4.536997
  Mo     -3.626190      3.350789      5.030731
  N      -4.486176      3.173439      6.761704
  C      -3.606153      3.094544      7.925833
  C      -2.328041      2.340772      7.548076
  N      -1.752384      2.919200      6.296562
  C      -0.870526      1.961656      5.575676
  C      -1.684823      1.015230      4.674334
  C      -1.043723      4.209680      6.513292
  C      -1.311638      5.086832      5.290243
  N      -2.752606      5.172754      5.088092
  H      -1.179743      0.922260      3.692529
  H      -1.726965     -0.004067      5.104703
  H      -0.189254      2.560983      4.957390
  H      -0.256002      1.406494      6.304456
  H      -0.870529      6.090236      5.430373
  H      -0.819991      4.652218      4.404112
  H      -1.459210      4.686811      7.410452
  H       0.033179      4.032989      6.684863
  H      -4.096469      2.568895      8.764590
  H      -3.346129      4.107074      8.293993
  H      -2.578339      1.293379      7.323982
  H      -1.585069      2.360360      8.367776
  C      -4.021195      0.906819      3.768560
  C      -4.458258     -0.480219      4.254535
  C      -5.817733     -0.878254      3.650802
  C      -5.897266     -0.572683      2.176186
  N      -6.514923      0.562650      1.839967
  C      -6.550074      0.892226      0.525831
  N      -6.043929      0.223572     -0.496689
  C      -5.409278     -0.950478     -0.179408
  C      -4.838973     -1.724497     -1.215594
  C      -4.180897     -2.906140     -0.921883
  C      -4.075484     -3.354437      0.415248
  C      -4.629643     -2.620335      1.449009
  C      -5.305879     -1.404658      1.178864
  C      -3.370679      6.258342      5.851270
  C      -3.389974      7.607327      5.119771
  C      -4.252310      7.610186      3.851892
  C      -5.732534      7.529529      4.136588
  N      -6.167628      8.095702      5.261082
  C      -7.486743      7.982001      5.549443
  N      -8.415492      7.341451      4.860961
  C      -7.993093      6.742715      3.706327
  C      -8.914404      5.984646      2.941469
  C      -8.500785      5.323178      1.802398
  C      -7.165193      5.442816      1.352471
  C      -6.256631      6.214998      2.053277
  C      -6.635390      6.845022      3.264976
  C      -5.935378      3.023421      6.930663
  C      -6.688881      4.333206      6.665558
  C      -8.211840      4.261063      6.719422
  C      -8.879208      3.594274      5.540448
  N      -8.126921      2.937109      4.665082
  C      -8.750025      2.376767      3.587727
  N     -10.039632      2.395053      3.302529
  C     -10.836728      3.062408      4.195446
  C     -12.231990      3.133960      3.950965
  C     -13.058429      3.814366      4.822518
  C     -12.526810      4.448649      5.969055
  C     -11.168972      4.390534      6.233040
  C     -10.298108      3.695317      5.357140
  H      -3.749309      0.833046      2.693840
  H      -4.890214      1.592891      3.790559
  H      -4.543603     -0.478014      5.354817
  H      -3.693071     -1.226292      3.983925
  H      -6.002706     -1.947661      3.842464
  H      -6.617237     -0.305874      4.145055
  H      -7.062811      1.832299      0.295795
  H      -4.936449     -1.361204     -2.241555
  H      -3.743847     -3.495290     -1.729857
  H      -3.555856     -4.288194      0.636449
  H      -4.547370     -2.981043      2.476795
  H      -4.397227      5.972444      6.122612
  H      -2.831365      6.411660      6.808702
  H      -2.362214      7.917854      4.866922
  H      -3.798207      8.348875      5.824922
  H      -4.056717      8.533704      3.273283
  H      -3.931265      6.781218      3.200166
  H      -7.800063      8.469811      6.480152
  H      -9.943145      5.911901      3.297164
  H      -9.207733      4.701584      1.249680
  H      -6.836501      4.899535      0.465259
  H      -5.237511      6.324915      1.676230
  H      -6.139362      2.671003      7.958315
  H      -6.312293      2.252155      6.242067
  H      -6.340641      5.078901      7.396465
  H      -6.404185      4.689660      5.665086
  H      -8.559965      3.784561      7.652566
  H      -8.597730      5.293928      6.755184
  H      -8.078912      1.845571      2.899985
  H     -12.618975      2.642487      3.057367
  H     -14.132989      3.869341      4.627377
  H     -13.192509      4.991316      6.643512
  H     -10.767548      4.890208      7.114150
  N      -4.944759      3.865905      3.657707
  H      -5.860351      3.470872      3.423089
  H      -4.914701      4.813459      3.277508
98
Coordinates from ORCA-job orca E -6204.323574767392
  N      -2.999447      1.578625      4.521375
  Mo     -3.620769      3.362719      5.002731
  N      -4.482310      3.188622      6.730594
  C      -3.602882      3.102523      7.894010
  C      -2.328312      2.343644      7.516667
  N      -1.743651      2.925142      6.273400
  C      -0.867088      1.970006      5.547614
  C      -1.691450      1.008645      4.673705
  C      -1.031864      4.211640      6.493045
  C      -1.305756      5.092192      5.272630
  N      -2.746998      5.181708      5.081567
  H      -1.187325      0.881865      3.695235
  H      -1.746803      0.001949      5.132341
  H      -0.207283      2.569918      4.906719
  H      -0.229447      1.428053      6.267222
  H      -0.860322      6.094324      5.409017
  H      -0.822445      4.654916      4.383312
  H      -1.438737      4.686254      7.395505
  H       0.046367      4.033324      6.655718
  H      -4.096632      2.577137      8.730665
  H      -3.339258      4.113439      8.264080
  H      -2.583823      1.299171      7.285260
  H      -1.590096      2.353619      8.340776
  C      -4.020229      0.909813      3.753527
  C      -4.466629     -0.467861      4.257492
  C      -5.829033     -0.864936      3.658936
  C      -5.906001     -0.582477      2.179649
  N      -6.517247      0.551225      1.825793
  C      -6.548386      0.862343      0.507051
  N      -6.040201      0.178172     -0.504150
  C      -5.410471     -0.993613     -0.168398
  C      -4.836085     -1.782109     -1.190969
  C      -4.183366     -2.962115     -0.878220
  C      -4.088169     -3.395042      0.464414
  C      -4.646295     -2.646399      1.485455
  C      -5.315724     -1.431145      1.196173
  C      -3.357128      6.254889      5.868501
  C      -3.384441      7.614153      5.156554
  C      -4.257490      7.629112      3.896748
  C      -5.735069      7.547176      4.193665
  N      -6.160805      8.099276      5.329777
  C      -7.477204      7.982440      5.626673
  N      -8.412316      7.351164      4.937389
  C      -8.000157      6.767845      3.771095
  C      -8.927463      6.021230      3.002770
  C      -8.522654      5.374882      1.851065
  C      -7.191268      5.500245      1.392271
  C      -6.276778      6.262433      2.096926
  C      -6.645488      6.875493      3.320869
  C      -5.930814      3.036563      6.900411
  C      -6.687465      4.342707      6.630343
  C      -8.210134      4.263136      6.682059
  C      -8.871313      3.589874      5.503932
  N      -8.113861      2.938246      4.628724
  C      -8.733313      2.373005      3.552396
  N     -10.023026      2.382471      3.267091
  C     -10.825250      3.044004      4.159046
  C     -12.220404      3.108074      3.912975
  C     -13.051255      3.784808      4.783389
  C     -12.524125      4.421315      5.930085
  C     -11.166269      4.369451      6.196110
  C     -10.291018      3.679478      5.321176
  H      -3.740235      0.821056      2.682323
  H      -4.885548      1.597616      3.760615
  H      -4.551210     -0.449597      5.357490
  H      -3.707011     -1.222904      3.997074
  H      -6.022853     -1.929561      3.867655
  H      -6.623989     -0.277867      4.143078
  H      -7.058170      1.800413      0.261968
  H      -4.925986     -1.431621     -2.221986
  H      -3.742506     -3.561756     -1.676229
  H      -3.573429     -4.327715      0.701060
  H      -4.572052     -2.995372      2.517883
  H      -4.380947      5.965164      6.145036
  H      -2.807275      6.393028      6.821857
  H      -2.359793      7.930796      4.900057
  H      -3.789510      8.344594      5.874820
  H      -4.062840      8.554217      3.321190
  H      -3.944978      6.801521      3.239480
  H      -7.783023      8.457602      6.566179
  H      -9.953825      5.944751      3.364017
  H      -9.234190      4.761714      1.295122
  H      -6.870338      4.970030      0.494348
  H      -5.261322      6.379467      1.712157
  H      -6.133108      2.689496      7.930005
  H      -6.306138      2.260078      6.216662
  H      -6.343257      5.091670      7.359352
  H      -6.403469      4.698729      5.629935
  H      -8.557360      3.786698      7.615476
  H      -8.600701      5.294464      6.714015
  H      -8.059904      1.844543      2.865924
  H     -12.603913      2.614786      3.018988
  H     -14.125601      3.835222      4.586547
  H     -13.193050      4.960864      6.603416
  H     -10.768262      4.871508      7.077341
  N      -4.935302      3.881029      3.629709
  H      -5.857316      3.489419      3.411564
  H      -4.904383      4.826917      3.245356
98
Coordinates from ORCA-job orca E -6204.324039663639
  N      -2.999203      1.588310      4.503419
  Mo     -3.615684      3.377604      4.973253
  N      -4.480366      3.206590      6.697848
  C      -3.602848      3.115205      7.861055
  C      -2.332558      2.349470      7.486063
  N      -1.737349      2.932306      6.251378
  C      -0.866018      1.978788      5.521849
  C      -1.698408      1.006337      4.671061
  C      -1.021253      4.214008      6.474161
  C      -1.299491      5.098034      5.256443
  N      -2.740397      5.191983      5.075554
  H      -1.194190      0.849626      3.696938
  H      -1.766563      0.011596      5.154332
  H      -0.224074      2.578486      4.862374
  H      -0.209687      1.447394      6.233241
  H      -0.849217      6.098584      5.389391
  H      -0.824212      4.657612      4.364431
  H      -1.420065      4.686658      7.381246
  H       0.057836      4.033123      6.629048
  H      -4.101096      2.591731      8.696176
  H      -3.335195      4.124781      8.231788
  H      -2.594810      1.308364      7.247789
  H      -1.600210      2.349098      8.315370
  C      -4.018344      0.915512      3.735467
  C      -4.473315     -0.452541      4.257704
  C      -5.837937     -0.849062      3.663037
  C      -5.909503     -0.592526      2.178824
  N      -6.510929      0.539949      1.804806
  C      -6.535507      0.830785      0.481424
  N      -6.026468      0.128275     -0.516716
  C      -5.406097     -1.042265     -0.160093
  C      -4.830492     -1.849117     -1.167322
  C      -4.187846     -3.028876     -0.833563
  C      -4.104436     -3.444043      0.515176
  C      -4.663698     -2.677018      1.521755
  C      -5.321960     -1.460869      1.211171
  C      -3.342941      6.252917      5.884995
  C      -3.375377      7.622213      5.192599
  C      -4.258016      7.649575      3.940610
  C      -5.733146      7.566870      4.248569
  N      -6.149623      8.104216      5.396192
  C      -7.463348      7.984872      5.700885
  N      -8.404896      7.363268      5.010644
  C      -8.002456      6.795323      3.832916
  C      -8.935254      6.059335      3.061644
  C      -8.539053      5.428104      1.897654
  C      -7.211803      5.558990      1.430727
  C      -6.291702      6.311796      2.138751
  C      -6.650951      6.908502      3.374144
  C      -5.927500      3.047885      6.867127
  C      -6.690587      4.349802      6.599701
  C      -8.212723      4.258312      6.649254
  C      -8.868334      3.583486      5.469661
  N      -8.106379      2.943474      4.588980
  C      -8.723298      2.378547      3.511817
  N     -10.013662      2.379627      3.228454
  C     -10.820181      3.029513      4.124943
  C     -12.215686      3.086736      3.879967
  C     -13.050422      3.753540      4.755005
  C     -12.526766      4.385198      5.905420
  C     -11.168473      4.338992      6.170849
  C     -10.289254      3.660786      5.290708
  H      -3.728784      0.811492      2.668436
  H      -4.880268      1.604840      3.726783
  H      -4.558772     -0.417590      5.357188
  H      -3.718362     -1.215948      4.008960
  H      -6.042641     -1.907386      3.891185
  H      -6.628091     -0.244601      4.133561
  H      -7.038997      1.767912      0.220047
  H      -4.911463     -1.513088     -2.203703
  H      -3.745606     -3.642268     -1.620192
  H      -3.598159     -4.376779      0.768668
  H      -4.598826     -3.012256      2.559266
  H      -4.364670      5.960297      6.165199
  H      -2.784224      6.374404      6.835000
  H      -2.353075      7.942541      4.932907
  H      -3.775828      8.342888      5.922874
  H      -4.064733      8.576261      3.368090
  H      -3.953935      6.823576      3.277792
  H      -7.762624      8.447668      6.648503
  H      -9.958998      5.978672      3.428852
  H      -9.255028      4.823191      1.338667
  H      -6.897524      5.040708      0.523593
  H      -5.279887      6.435230      1.746967
  H      -6.127539      2.699714      7.896608
  H      -6.299728      2.269448      6.183722
  H      -6.353068      5.099001      7.331187
  H      -6.407302      4.712090      5.601610
  H      -8.557284      3.776449      7.580891
  H      -8.610586      5.286692      6.683060
  H      -8.048530      1.855913      2.822840
  H     -12.596592      2.597021      2.982926
  H     -14.124816      3.799872      4.558401
  H     -13.198502      4.916639      6.582383
  H     -10.773100      4.838069      7.054954
  N      -4.926074      3.900035      3.599964
  H      -5.852152      3.509513      3.395591
  H      -4.894282      4.843766      3.210592
98
Coordinates from ORCA-job orca E -6204.326782794320
  N      -3.007884      1.595956      4.495231
  Mo     -3.617267      3.392908      4.970792
  N      -4.496812      3.222470      6.698378
  C      -3.635739      3.124599      7.873608
  C      -2.366711      2.352577      7.515700
  N      -1.755527      2.927803      6.288626
  C      -0.886462      1.961232      5.570805
  C      -1.718999      0.994436      4.713121
  C      -1.032511      4.204892      6.524082
  C      -1.279953      5.091776      5.301004
  N      -2.718024      5.196550      5.082005
  H      -1.192167      0.810941      3.755493
  H      -1.816943      0.008695      5.209430
  H      -0.227080      2.549001      4.918505
  H      -0.246262      1.423804      6.291827
  H      -0.822243      6.087378      5.443130
  H      -0.789727      4.645265      4.419652
  H      -1.449662      4.683402      7.420423
  H       0.040426      4.017321      6.706554
  H      -4.148416      2.599159      8.698552
  H      -3.369568      4.129786      8.256485
  H      -2.636438      1.314876      7.276273
  H      -1.645592      2.346271      8.353956
  C      -4.014008      0.909153      3.710577
  C      -4.468568     -0.455259      4.239097
  C      -5.831388     -0.851233      3.631899
  C      -5.895758     -0.591521      2.149025
  N      -6.494254      0.544148      1.775594
  C      -6.508896      0.842294      0.455041
  N      -5.996577      0.140409     -0.541660
  C      -5.388622     -1.037352     -0.187938
  C      -4.821022     -1.849837     -1.196478
  C      -4.196701     -3.040649     -0.866601
  C      -4.122717     -3.461902      0.478859
  C      -4.672130     -2.688721      1.486705
  C      -5.313013     -1.461944      1.180126
  C      -3.332922      6.280992      5.858222
  C      -3.328317      7.642349      5.146529
  C      -4.207857      7.669802      3.893934
  C      -5.686554      7.613950      4.200769
  N      -6.094975      8.156614      5.350324
  C      -7.407860      8.050514      5.660961
  N      -8.356317      7.426044      4.982454
  C      -7.964990      6.855118      3.800682
  C      -8.905975      6.118367      3.041225
  C      -8.523597      5.492559      1.867507
  C      -7.205025      5.626722      1.384185
  C      -6.273083      6.371836      2.086504
  C      -6.616185      6.965748      3.329589
  C      -5.943498      3.064788      6.865373
  C      -6.710521      4.364784      6.607529
  C      -8.231768      4.250217      6.661059
  C      -8.887634      3.552618      5.495745
  N      -8.131081      2.902389      4.617307
  C      -8.753674      2.305765      3.562544
  N     -10.047068      2.291084      3.294818
  C     -10.849272      2.952241      4.186050
  C     -12.247036      2.990640      3.957981
  C     -13.077788      3.661115      4.834785
  C     -12.546499      4.314537      5.969456
  C     -11.186212      4.289240      6.216550
  C     -10.310424      3.609584      5.334123
  H      -3.701301      0.799038      2.650804
  H      -4.882199      1.589686      3.682102
  H      -4.566105     -0.413882      5.336962
  H      -3.709833     -1.218198      4.003229
  H      -6.045217     -1.906070      3.860273
  H      -6.619819     -0.239521      4.093987
  H      -7.006073      1.785296      0.196970
  H      -4.894389     -1.508808     -2.230316
  H      -3.762084     -3.659955     -1.653129
  H      -3.631825     -4.404204      0.726970
  H      -4.615595     -3.026965      2.522437
  H      -4.368572      6.010545      6.110261
  H      -2.803121      6.399520      6.824609
  H      -2.297069      7.927579      4.885283
  H      -3.708592      8.388282      5.860080
  H      -4.003287      8.584572      3.309518
  H      -3.920627      6.830258      3.242636
  H      -7.705547      8.522642      6.603716
  H      -9.924997      6.039080      3.422078
  H      -9.246855      4.893252      1.312598
  H      -6.904766      5.119401      0.466720
  H      -5.266525      6.491756      1.684207
  H      -6.145497      2.708379      7.892223
  H      -6.318656      2.291816      6.176124
  H      -6.384885      5.117443      7.343236
  H      -6.423642      4.735327      5.612422
  H      -8.562696      3.765261      7.597604
  H      -8.648185      5.270374      6.694633
  H      -8.086651      1.763904      2.880591
  H     -12.634238      2.481247      3.074148
  H     -14.153455      3.691540      4.652414
  H     -13.215056      4.845704      6.649113
  H     -10.785147      4.804589      7.089403
  N      -4.910512      3.932123      3.580141
  H      -5.829196      3.536590      3.354930
  H      -4.871913      4.873860      3.188402
98
Coordinates from ORCA-job orca E -6204.327275149749
  N      -2.996284      1.591673      4.482282
  Mo     -3.610041      3.392029      4.968657
  N      -4.487664      3.222279      6.710013
  C      -3.632029      3.127071      7.890791
  C      -2.357059      2.362256      7.536493
  N      -1.749942      2.933174      6.305333
  C      -0.879027      1.960075      5.591696
  C      -1.710010      0.987935      4.736658
  C      -1.032025      4.217715      6.535901
  C      -1.270118      5.100483      5.304082
  N      -2.709037      5.197607      5.062693
  H      -1.170522      0.783825      3.790219
  H      -1.819469      0.010751      5.246652
  H      -0.214677      2.541282      4.939592
  H      -0.242774      1.424557      6.316948
  H      -0.814857      6.096251      5.448205
  H      -0.770226      4.651634      4.428870
  H      -1.464062      4.702694      7.422454
  H       0.037884      4.036173      6.736464
  H      -4.145484      2.597855      8.712462
  H      -3.372471      4.131325      8.280377
  H      -2.625566      1.323688      7.302867
  H      -1.636804      2.360841      8.374915
  C      -3.987356      0.875932      3.693187
  C      -4.422657     -0.488316      4.235090
  C      -5.786789     -0.898670      3.630833
  C      -5.869154     -0.632006      2.152095
  N      -6.486666      0.499838      1.790691
  C      -6.515412      0.807300      0.474137
  N      -6.005110      0.114074     -0.529221
  C      -5.386437     -1.062691     -0.190315
  C      -4.828095     -1.870545     -1.209671
  C      -4.196677     -3.062615     -0.894441
  C      -4.104425     -3.489608      0.445701
  C      -4.642214     -2.720385      1.463793
  C      -5.291758     -1.493519      1.172126
  C      -3.338866      6.294732      5.817992
  C      -3.362355      7.646005      5.085682
  C      -4.287552      7.642077      3.866807
  C      -5.754261      7.568652      4.237855
  N      -6.121855      8.118419      5.398998
  C      -7.414010      7.985462      5.777073
  N      -8.374386      7.312118      5.165006
  C      -8.029206      6.736904      3.969552
  C      -8.986347      5.958602      3.275286
  C      -8.656980      5.351523      2.073697
  C      -7.382981      5.541355      1.504144
  C      -6.429795      6.309446      2.154128
  C      -6.712901      6.891591      3.419314
  C      -5.934959      3.080740      6.870816
  C      -6.670026      4.397428      6.606114
  C      -8.193711      4.304880      6.623975
  C      -8.834078      3.635457      5.434273
  N      -8.071105      2.996950      4.553916
  C      -8.677908      2.430472      3.475396
  N      -9.965561      2.442788      3.181957
  C     -10.777006      3.093526      4.070729
  C     -12.168080      3.155161      3.816203
  C     -13.006908      3.811642      4.695325
  C     -12.489072      4.428024      5.857027
  C     -11.136272      4.382167      6.128516
  C     -10.251599      3.715629      5.245770
  H      -3.663180      0.762393      2.637556
  H      -4.870379      1.536166      3.653875
  H      -4.521575     -0.441301      5.331717
  H      -3.655269     -1.243249      4.004959
  H      -5.993203     -1.953849      3.858545
  H      -6.574358     -0.291985      4.097984
  H      -7.024127      1.749701      0.228409
  H      -4.914995     -1.524413     -2.239307
  H      -3.770438     -3.680546     -1.687260
  H      -3.608285     -4.433695      0.678773
  H      -4.572515     -3.060273      2.496758
  H      -4.373503      6.021722      6.074105
  H      -2.810999      6.423766      6.783739
  H      -2.341061      7.928382      4.787456
  H      -3.721832      8.406233      5.793191
  H      -4.124769      8.548456      3.259207
  H      -4.019772      6.794789      3.218373
  H      -7.688365      8.480918      6.715418
  H      -9.975152      5.844321      3.722365
  H      -9.392846      4.731218      1.560373
  H      -7.133346      5.064385      0.555318
  H      -5.456883      6.464088      1.689206
  H      -6.156446      2.722896      7.893826
  H      -6.318999      2.320308      6.171650
  H      -6.352554      5.144834      7.353549
  H      -6.344739      4.767326      5.620811
  H      -8.550124      3.806010      7.545514
  H      -8.599808      5.328250      6.669217
  H      -8.007633      1.896145      2.790153
  H     -12.544626      2.672901      2.912405
  H     -14.077226      3.858487      4.494033
  H     -13.163550      4.946759      6.538972
  H     -10.746009      4.868196      7.023351
  N      -4.915163      3.923028      3.575318
  H      -5.827036      3.512705      3.354121
  H      -4.889910      4.860978      3.173606
98
Coordinates from ORCA-job orca E -6204.330469595501
  N      -3.035611      1.615666      4.469237
  Mo     -3.627438      3.420818      4.981349
  N      -4.511737      3.244688      6.724067
  C      -3.667110      3.127834      7.909282
  C      -2.399455      2.353208      7.554964
  N      -1.782935      2.925062      6.332247
  C      -0.925879      1.945535      5.615742
  C      -1.770784      0.983197      4.764305
  C      -1.051925      4.197386      6.576947
  C      -1.258706      5.088466      5.346248
  N      -2.690709      5.208754      5.079998
  H      -1.218797      0.745809      3.832963
  H      -1.916958      0.018558      5.288652
  H      -0.255503      2.519301      4.962933
  H      -0.294617      1.399816      6.338181
  H      -0.789885      6.075905      5.501521
  H      -0.753558      4.635461      4.476362
  H      -1.491805      4.685100      7.458296
  H       0.012262      4.001359      6.794831
  H      -4.192284      2.591304      8.718487
  H      -3.402765      4.123939      8.316734
  H      -2.679890      1.318767      7.313696
  H      -1.682130      2.337430      8.396013
  C      -4.018369      0.897483      3.667302
  C      -4.455219     -0.467266      4.207654
  C      -5.817862     -0.881049      3.598663
  C      -5.899079     -0.620143      2.119181
  N      -6.529787      0.501596      1.748949
  C      -6.556158      0.800889      0.429999
  N      -6.033718      0.107893     -0.566584
  C      -5.405723     -1.060548     -0.219211
  C      -4.837182     -1.869488     -1.231641
  C      -4.197486     -3.054325     -0.906587
  C      -4.105678     -3.472257      0.436493
  C      -4.651869     -2.700794      1.447940
  C      -5.311075     -1.481691      1.146081
  C      -3.313488      6.322983      5.812275
  C      -3.276719      7.666164      5.069172
  C      -4.177144      7.673970      3.833941
  C      -5.652384      7.633496      4.172232
  N      -6.040594      8.197892      5.319059
  C      -7.345797      8.098022      5.658160
  N      -8.303970      7.445529      5.019986
  C      -7.937652      6.857329      3.837711
  C      -8.894216      6.107171      3.113448
  C      -8.542961      5.489252      1.923618
  C      -7.245007      5.637132      1.398681
  C      -6.291577      6.378313      2.078668
  C      -6.600578      6.974609      3.330127
  C      -5.959433      3.110050      6.887803
  C      -6.709871      4.420351      6.631103
  C      -8.230647      4.289879      6.669104
  C      -8.867368      3.590640      5.494966
  N      -8.096113      2.984105      4.600036
  C      -8.698927      2.383757      3.538458
  N      -9.991951      2.336630      3.273440
  C     -10.813866      2.952602      4.177003
  C     -12.211359      2.948726      3.952196
  C     -13.060714      3.566735      4.849120
  C     -12.546971      4.209158      5.998397
  C     -11.187851      4.229100      6.239917
  C     -10.291616      3.604095      5.338198
  H      -3.677608      0.785943      2.617195
  H      -4.904313      1.550449      3.618499
  H      -4.558961     -0.418941      5.303405
  H      -3.687622     -1.223687      3.983116
  H      -6.022498     -1.936763      3.827535
  H      -6.607693     -0.275377      4.063947
  H      -7.075309      1.734356      0.175869
  H      -4.923085     -1.529894     -2.263975
  H      -3.763459     -3.674605     -1.693169
  H      -3.602743     -4.411166      0.675566
  H      -4.581692     -3.031751      2.484182
  H      -4.362950      6.078621      6.033961
  H      -2.814967      6.441069      6.794482
  H      -2.240800      7.905800      4.784006
  H      -3.618477      8.449636      5.760158
  H      -3.982451      8.570496      3.220721
  H      -3.918005      6.813720      3.198421
  H      -7.637848      8.603737      6.584847
  H      -9.900180      6.026250      3.526629
  H      -9.279628      4.891421      1.385124
  H      -6.980222      5.153338      0.457683
  H      -5.297915      6.500708      1.647902
  H      -6.176418      2.747501      7.909798
  H      -6.347130      2.351880      6.189025
  H      -6.401083      5.173613      7.375568
  H      -6.400102      4.797742      5.643370
  H      -8.555195      3.778913      7.595694
  H      -8.668536      5.299753      6.722393
  H      -8.020756      1.885983      2.833902
  H     -12.584355      2.446898      3.057756
  H     -14.136669      3.562335      4.671193
  H     -13.230248      4.695827      6.695536
  H     -10.801695      4.734695      7.125460
  N      -4.928727      3.980226      3.592236
  H      -5.838587      3.570074      3.361566
  H      -4.899344      4.919608      3.193748
98
Coordinates from ORCA-job orca E -6204.332036023566
  N      -3.042056      1.610025      4.462556
  Mo     -3.629819      3.415058      4.989908
  N      -4.518823      3.241784      6.732995
  C      -3.681108      3.124628      7.922491
  C      -2.411863      2.349864      7.572075
  N      -1.796132      2.917805      6.346982
  C      -0.942471      1.935979      5.633259
  C      -1.790844      0.967867      4.794135
  C      -1.064623      4.189525      6.587566
  C      -1.254031      5.075021      5.350390
  N      -2.681777      5.199050      5.068603
  H      -1.227705      0.700072      3.877716
  H      -1.959275      0.018015      5.338399
  H      -0.275190      2.506231      4.973897
  H      -0.308156      1.393264      6.355788
  H      -0.783712      6.061419      5.508050
  H      -0.741309      4.618412      4.487073
  H      -1.513478      4.683833      7.460459
  H      -0.002991      3.992266      6.819059
  H      -4.210242      2.586736      8.728393
  H      -3.419056      4.120509      8.332673
  H      -2.691227      1.313206      7.336041
  H      -1.693252      2.338758      8.412593
  C      -4.010164      0.879257      3.654593
  C      -4.437623     -0.489785      4.192296
  C      -5.795877     -0.908438      3.579400
  C      -5.877460     -0.634568      2.102012
  N      -6.514241      0.485111      1.739652
  C      -6.538611      0.794935      0.422026
  N      -6.008527      0.115063     -0.579040
  C      -5.373545     -1.051189     -0.239853
  C      -4.796169     -1.846336     -1.257570
  C      -4.148675     -3.028148     -0.939687
  C      -4.056991     -3.456391      0.401447
  C      -4.611527     -2.698387      1.417667
  C      -5.279526     -1.482639      1.123076
  C      -3.307400      6.321506      5.782760
  C      -3.261111      7.658347      5.029420
  C      -4.177940      7.670959      3.805361
  C      -5.648153      7.638135      4.164682
  N      -6.015632      8.195417      5.320287
  C      -7.315225      8.096008      5.679985
  N      -8.284674      7.448667      5.053772
  C      -7.939809      6.869371      3.861902
  C      -8.909314      6.123986      3.149644
  C      -8.578293      5.513672      1.951390
  C      -7.288624      5.665852      1.405164
  C      -6.324853      6.404364      2.072175
  C      -6.611598      6.989387      3.332858
  C      -5.969494      3.126021      6.893447
  C      -6.707894      4.437567      6.602955
  C      -8.230248      4.325520      6.648611
  C      -8.879949      3.587591      5.504476
  N      -8.120114      2.925423      4.640411
  C      -8.733866      2.284849      3.608492
  N     -10.027875      2.244262      3.347565
  C     -10.838620      2.918146      4.219559
  C     -12.236815      2.925684      3.995669
  C     -13.075257      3.599228      4.862326
  C     -12.550140      4.287620      5.979510
  C     -11.189909      4.297488      6.219527
  C     -10.304511      3.615836      5.348222
  H      -3.656193      0.770313      2.608666
  H      -4.904717      1.518540      3.597033
  H      -4.545002     -0.444169      5.288004
  H      -3.666587     -1.243319      3.968322
  H      -5.992207     -1.968770      3.797838
  H      -6.590595     -0.313789      4.051711
  H      -7.061685      1.726961      0.173735
  H      -4.881445     -1.498416     -2.287958
  H      -3.707416     -3.638755     -1.729559
  H      -3.547216     -4.393098      0.633598
  H      -4.541016     -3.036362      2.452271
  H      -4.359661      6.081159      5.995947
  H      -2.819372      6.446734      6.769415
  H      -2.225474      7.881353      4.728137
  H      -3.581509      8.452536      5.719311
  H      -3.986695      8.567071      3.189108
  H      -3.932847      6.809465      3.165341
  H      -7.589190      8.591707      6.617405
  H      -9.907326      6.038471      3.580708
  H      -9.322788      4.915604      1.423506
  H      -7.040198      5.186311      0.457783
  H      -5.336986      6.527537      1.626748
  H      -6.193984      2.787310      7.921638
  H      -6.363093      2.358298      6.208852
  H      -6.389507      5.208370      7.323910
  H      -6.397464      4.782898      5.604621
  H      -8.556177      3.851887      7.593853
  H      -8.658057      5.341093      6.668162
  H      -8.067360      1.726901      2.939236
  H     -12.618612      2.387558      3.126590
  H     -14.152094      3.603141      4.685016
  H     -13.225250      4.817625      6.653455
  H     -10.794540      4.838558      7.079546
  N      -4.938195      3.970776      3.606272
  H      -5.846138      3.554604      3.378845
  H      -4.911473      4.904945      3.197105
98
Coordinates from ORCA-job orca E -6204.333721664727
  N      -3.055807      1.615223      4.454293
  Mo     -3.639673      3.414527      5.014178
  N      -4.518679      3.233548      6.762408
  C      -3.679647      3.109917      7.948922
  C      -2.408685      2.343275      7.586916
  N      -1.806022      2.917465      6.358637
  C      -0.958656      1.941804      5.633366
  C      -1.813804      0.967894      4.811731
  C      -1.075636      4.188986      6.593900
  C      -1.256316      5.068839      5.351795
  N      -2.681075      5.194992      5.064388
  H      -1.245538      0.672824      3.906444
  H      -1.997577      0.032163      5.376158
  H      -0.306611      2.516031      4.961737
  H      -0.308982      1.400950      6.344926
  H      -0.785014      6.055225      5.509391
  H      -0.740347      4.609483      4.492168
  H      -1.527866      4.687448      7.462513
  H      -0.013846      3.992427      6.830431
  H      -4.204851      2.561778      8.750745
  H      -3.421203      4.103814      8.367205
  H      -2.683471      1.304776      7.351417
  H      -1.681557      2.334561      8.420314
  C      -4.007224      0.865776      3.644674
  C      -4.409214     -0.512672      4.181188
  C      -5.766875     -0.950814      3.583627
  C      -5.874635     -0.670134      2.108897
  N      -6.543368      0.433548      1.761570
  C      -6.593042      0.748943      0.444348
  N      -6.058907      0.089242     -0.567524
  C      -5.389319     -1.061306     -0.242778
  C      -4.803818     -1.834033     -1.272050
  C      -4.121843     -2.998872     -0.967308
  C      -4.002678     -3.432478      0.371738
  C      -4.564581     -2.696557      1.398642
  C      -5.267466     -1.497478      1.117711
  C      -3.307064      6.325438      5.761115
  C      -3.251904      7.651381      4.989405
  C      -4.178776      7.659473      3.771690
  C      -5.646125      7.642420      4.140539
  N      -6.001621      8.214386      5.291149
  C      -7.300106      8.129583      5.659058
  N      -8.278310      7.485585      5.042951
  C      -7.945280      6.891134      3.856601
  C      -8.924598      6.145276      3.157293
  C      -8.603298      5.516578      1.967568
  C      -7.312625      5.650208      1.414692
  C      -6.341674      6.390184      2.067422
  C      -6.618809      6.992629      3.320910
  C      -5.970514      3.121296      6.926806
  C      -6.712582      4.433300      6.644356
  C      -8.235329      4.320619      6.678663
  C      -8.876142      3.603736      5.515395
  N      -8.107516      2.964956      4.642122
  C      -8.712081      2.347592      3.590042
  N     -10.003640      2.310640      3.317073
  C     -10.823006      2.961661      4.198525
  C     -12.219891      2.973777      3.961716
  C     -13.067007      3.626120      4.835920
  C     -12.553030      4.288182      5.973585
  C     -11.193921      4.292633      6.226916
  C     -10.300034      3.632076      5.348243
  H      -3.645529      0.764200      2.600556
  H      -4.914590      1.481951      3.583904
  H      -4.507266     -0.471354      5.278117
  H      -3.631655     -1.257195      3.948886
  H      -5.940037     -2.017169      3.796228
  H      -6.566320     -0.376155      4.073450
  H      -7.142021      1.667800      0.206507
  H      -4.910426     -1.482758     -2.299956
  H      -3.673537     -3.592763     -1.765499
  H      -3.465322     -4.356164      0.592530
  H      -4.472257     -3.038011      2.430946
  H      -4.360826      6.088139      5.970012
  H      -2.826893      6.465239      6.749878
  H      -2.216676      7.856006      4.673065
  H      -3.553827      8.460101      5.671478
  H      -3.983417      8.547593      3.144464
  H      -3.944862      6.789639      3.138941
  H      -7.561431      8.632991      6.595928
  H      -9.921437      6.072647      3.592974
  H      -9.353739      4.915243      1.451718
  H      -7.072592      5.154099      0.473682
  H      -5.352946      6.497062      1.618412
  H      -6.192169      2.778950      7.953815
  H      -6.366310      2.356827      6.240446
  H      -6.398044      5.196131      7.373508
  H      -6.401289      4.788743      5.651650
  H      -8.566431      3.829712      7.612582
  H      -8.664097      5.335460      6.713891
  H      -8.039521      1.807384      2.913214
  H     -12.592871      2.457028      3.076346
  H     -14.142731      3.634205      4.648031
  H     -13.235068      4.802202      6.653305
  H     -10.806354      4.814136      7.102206
  N      -4.969905      3.965025      3.651077
  H      -5.876329      3.536471      3.437350
  H      -4.956028      4.894375      3.231356
98
Coordinates from ORCA-job orca E -6204.335161857215
  N      -3.077899      1.636170      4.439908
  Mo     -3.650241      3.426582      5.044703
  N      -4.517813      3.233842      6.796158
  C      -3.674677      3.100940      7.978015
  C      -2.404661      2.340069      7.599955
  N      -1.816873      2.921247      6.367399
  C      -0.979608      1.951312      5.623425
  C      -1.844643      0.979600      4.815588
  C      -1.081319      4.189870      6.600051
  C      -1.254138      5.068131      5.355851
  N      -2.676720      5.200026      5.066081
  H      -1.274316      0.661587      3.919048
  H      -2.042968      0.055835      5.395471
  H      -0.343668      2.530645      4.940819
  H      -0.314450      1.407480      6.318996
  H      -0.779446      6.052775      5.516115
  H      -0.736433      4.607964      4.497870
  H      -1.532845      4.692133      7.466896
  H      -0.019954      3.989384      6.838034
  H      -4.194604      2.543078      8.776778
  H      -3.415771      4.091352      8.404403
  H      -2.677344      1.301425      7.363847
  H      -1.667194      2.330675      8.424109
  C      -4.012731      0.875668      3.624277
  C      -4.395142     -0.512872      4.153086
  C      -5.750493     -0.968901      3.564678
  C      -5.874134     -0.692151      2.090105
  N      -6.565400      0.396735      1.744970
  C      -6.630496      0.706430      0.425966
  N      -6.091941      0.053372     -0.587591
  C      -5.397254     -1.082856     -0.263845
  C      -4.803751     -1.847135     -1.294957
  C      -4.097020     -2.996487     -0.990309
  C      -3.960352     -3.423244      0.350011
  C      -4.529767     -2.695771      1.378089
  C      -5.257636     -1.511530      1.097308
  C      -3.302434      6.334847      5.752558
  C      -3.249867      7.652172      4.966144
  C      -4.187671      7.647959      3.756427
  C      -5.651441      7.627843      4.136610
  N      -6.000005      8.208889      5.283828
  C      -7.296533      8.124473      5.662350
  N      -8.277682      7.477219      5.055419
  C      -7.951276      6.872438      3.873189
  C      -8.936631      6.125304      3.182133
  C      -8.623634      5.489537      1.995375
  C      -7.332791      5.612550      1.436515
  C      -6.356571      6.350942      2.081124
  C      -6.628043      6.966608      3.329676
  C      -5.970169      3.127391      6.962525
  C      -6.708916      4.439003      6.672914
  C      -8.232166      4.333476      6.697240
  C      -8.865894      3.617095      5.529113
  N      -8.091949      2.968837      4.667376
  C      -8.690241      2.350042      3.611737
  N      -9.978203      2.325118      3.321604
  C     -10.801894      2.986777      4.191441
  C     -12.195783      3.011563      3.937069
  C     -13.047582      3.674483      4.798501
  C     -12.542068      4.334627      5.940746
  C     -11.185829      4.326465      6.211271
  C     -10.287664      3.655431      5.345448
  H      -3.643251      0.784432      2.581464
  H      -4.931141      1.472451      3.561459
  H      -4.488898     -0.476935      5.250696
  H      -3.611228     -1.248691      3.915408
  H      -5.905511     -2.038313      3.776024
  H      -6.555613     -0.409434      4.062167
  H      -7.199067      1.612839      0.187410
  H      -4.924384     -1.501994     -2.323140
  H      -3.642283     -3.583971     -1.789691
  H      -3.403354     -4.335338      0.570677
  H      -4.423890     -3.032313      2.410492
  H      -4.355827      6.095550      5.962786
  H      -2.825854      6.490064      6.741295
  H      -2.217962      7.847666      4.633735
  H      -3.540295      8.470388      5.641657
  H      -3.999107      8.531580      3.120936
  H      -3.954376      6.774213      3.129015
  H      -7.550851      8.639871      6.594905
  H      -9.932632      6.059746      3.621032
  H      -9.378639      4.888654      1.485950
  H      -7.100677      5.110003      0.496513
  H      -5.369173      6.450095      1.627937
  H      -6.192339      2.791144      7.991512
  H      -6.367006      2.360089      6.279773
  H      -6.393171      5.202383      7.401196
  H      -6.395564      4.789480      5.679139
  H      -8.573919      3.847791      7.630085
  H      -8.655403      5.350894      6.725004
  H      -8.013282      1.806593      2.941465
  H     -12.562385      2.495907      3.048418
  H     -14.120552      3.692479      4.596884
  H     -13.227598      4.857078      6.610051
  H     -10.803869      4.846811      7.089625
  N      -5.006658      3.978159      3.709623
  H      -5.915004      3.542567      3.520671
  H      -5.006063      4.903358      3.279652
98
Coordinates from ORCA-job orca E -6204.336325505090
  N      -3.088941      1.642119      4.432724
  Mo     -3.656188      3.425174      5.067897
  N      -4.516998      3.228038      6.820125
  C      -3.671162      3.091219      8.000049
  C      -2.399043      2.338231      7.614541
  N      -1.823381      2.922826      6.378043
  C      -0.991421      1.955867      5.623446
  C      -1.863622      0.979670      4.832706
  C      -1.086730      4.192013      6.607439
  C      -1.253778      5.064085      5.357470
  N      -2.674756      5.195134      5.057883
  H      -1.290386      0.634264      3.948250
  H      -2.075682      0.071408      5.432122
  H      -0.371680      2.537314      4.928124
  H      -0.311167      1.416679      6.307858
  H      -0.779957      6.049245      5.517527
  H      -0.729509      4.601517      4.504872
  H      -1.541612      4.699549      7.469560
  H      -0.026506      3.991914      6.850768
  H      -4.186703      2.526079      8.796451
  H      -3.415012      4.079914      8.431653
  H      -2.665844      1.297782      7.380872
  H      -1.655515      2.333945      8.433097
  C      -4.007190      0.868468      3.610544
  C      -4.373101     -0.525235      4.138962
  C      -5.727585     -0.994510      3.559694
  C      -5.866346     -0.715751      2.087036
  N      -6.574193      0.364431      1.749704
  C      -6.654360      0.675165      0.431728
  N      -6.115006      0.030398     -0.586459
  C      -5.401771     -1.096869     -0.270022
  C      -4.805121     -1.851265     -1.307227
  C      -4.079882     -2.990916     -1.010041
  C      -3.927310     -3.417953      0.327914
  C      -4.499431     -2.700202      1.361439
  C      -5.245780     -1.525534      1.088350
  C      -3.304104      6.335945      5.731582
  C      -3.250631      7.648322      4.935056
  C      -4.198590      7.642849      3.733169
  C      -5.659127      7.630299      4.125505
  N      -5.994634      8.215547      5.274430
  C      -7.288279      8.136445      5.666759
  N      -8.276758      7.490589      5.071756
  C      -7.963968      6.881515      3.888250
  C      -8.958621      6.134121      3.209887
  C      -8.659325      5.490878      2.024057
  C      -7.373189      5.605658      1.452117
  C      -6.389165      6.345320      2.082297
  C      -6.646503      6.968784      3.330635
  C      -5.969521      3.125090      6.989166
  C      -6.706128      4.436507      6.696810
  C      -8.229755      4.331858      6.710050
  C      -8.856108      3.625650      5.531524
  N      -8.078037      2.981815      4.669330
  C      -8.671146      2.375310      3.603296
  N      -9.956601      2.358977      3.302818
  C     -10.783703      3.017363      4.172090
  C     -12.174749      3.053328      3.905744
  C     -13.029971      3.713762      4.765854
  C     -12.530719      4.360011      5.918671
  C     -11.177322      4.340664      6.200802
  C     -10.276000      3.672364      5.336431
  H      -3.627402      0.780335      2.570817
  H      -4.935559      1.448037      3.538695
  H      -4.462772     -0.489670      5.236948
  H      -3.584061     -1.254287      3.898745
  H      -5.868927     -2.066216      3.768086
  H      -6.535816     -0.446974      4.064676
  H      -7.236522      1.574606      0.198520
  H      -4.938448     -1.506429     -2.333519
  H      -3.622748     -3.570272     -1.814164
  H      -3.355928     -4.322504      0.543310
  H      -4.381176     -3.037751      2.391774
  H      -4.357912      6.096928      5.941466
  H      -2.832407      6.502847      6.720922
  H      -2.221023      7.832723      4.590267
  H      -3.527960      8.473892      5.606559
  H      -4.010923      8.523093      3.093321
  H      -3.971990      6.765923      3.107913
  H      -7.528938      8.652465      6.602297
  H      -9.950781      6.073780      3.658221
  H      -9.420609      4.889149      1.525333
  H      -7.151738      5.093987      0.514872
  H      -5.405622      6.436606      1.620012
  H      -6.190670      2.793726      8.020285
  H      -6.366966      2.354141      6.310553
  H      -6.393007      5.198119      7.428973
  H      -6.388843      4.788882      5.704259
  H      -8.580991      3.841421      7.637123
  H      -8.650364      5.350304      6.740052
  H      -7.991459      1.835336      2.932525
  H     -12.536644      2.548030      3.009082
  H     -14.100628      3.740501      4.555150
  H     -13.218715      4.880421      6.586694
  H     -10.799797      4.850299      7.087354
  N      -5.033742      3.967329      3.751105
  H      -5.943922      3.525022      3.587938
  H      -5.043136      4.882780      3.302119
98
Coordinates from ORCA-job orca E -6204.337311366460
  N      -3.097956      1.654593      4.422810
  Mo     -3.655983      3.432450      5.084389
  N      -4.520674      3.234493      6.833432
  C      -3.677398      3.091796      8.015413
  C      -2.404559      2.340227      7.630866
  N      -1.831775      2.923792      6.392844
  C      -1.006827      1.954027      5.633044
  C      -1.888778      0.978031      4.856252
  C      -1.088837      4.190010      6.623362
  C      -1.241707      5.059277      5.369038
  N      -2.659303      5.193892      5.051576
  H      -1.311313      0.599108      3.988687
  H      -2.125072      0.089009      5.475079
  H      -0.396419      2.533147      4.927601
  H      -0.318116      1.417344      6.310771
  H      -0.766646      6.043168      5.532878
  H      -0.708420      4.594084      4.523541
  H      -1.549445      4.703616      7.478901
  H      -0.032323      3.984977      6.877524
  H      -4.195133      2.522770      8.807623
  H      -3.422076      4.078106      8.452683
  H      -2.669622      1.298756      7.399970
  H      -1.660431      2.338891      8.448732
  C      -4.001100      0.875134      3.587468
  C      -4.365665     -0.519116      4.116694
  C      -5.718842     -0.991255      3.536653
  C      -5.856884     -0.715479      2.063612
  N      -6.569791      0.360205      1.722930
  C      -6.652088      0.666180      0.404173
  N      -6.109955      0.020237     -0.611620
  C      -5.390956     -1.102200     -0.291539
  C      -4.791119     -1.857537     -1.326809
  C      -4.060446     -2.992981     -1.026649
  C      -3.905430     -3.414920      0.312133
  C      -4.480651     -2.696056      1.343573
  C      -5.232391     -1.525636      1.067324
  C      -3.291578      6.342087      5.711146
  C      -3.235320      7.647594      4.902861
  C      -4.194180      7.637358      3.709582
  C      -5.650830      7.627909      4.116052
  N      -5.974326      8.218187      5.265761
  C      -7.264261      8.141505      5.672313
  N      -8.259397      7.495047      5.090249
  C      -7.959169      6.881677      3.905387
  C      -8.962710      6.135516      3.238848
  C      -8.677596      5.489538      2.050921
  C      -7.396530      5.597090      1.466916
  C      -6.403221      6.333332      2.086458
  C      -6.647338      6.963450      3.334485
  C      -5.974243      3.136657      7.003736
  C      -6.710289      4.444956      6.697988
  C      -8.234295      4.338275      6.708493
  C      -8.861469      3.621296      5.537036
  N      -8.087134      2.962188      4.682557
  C      -8.683611      2.343909      3.625350
  N      -9.969012      2.330466      3.325038
  C     -10.792323      3.005340      4.185117
  C     -12.182606      3.046681      3.917430
  C     -13.034213      3.723204      4.768688
  C     -12.531587      4.380247      5.914067
  C     -11.178888      4.356017      6.197124
  C     -10.281086      3.672036      5.341315
  H      -3.603318      0.784537      2.554721
  H      -4.933231      1.446143      3.497790
  H      -4.459654     -0.480466      5.214249
  H      -3.574816     -1.247765      3.881806
  H      -5.859295     -2.062760      3.746266
  H      -6.528849     -0.443915      4.039031
  H      -7.239436      1.561534      0.168356
  H      -4.926691     -1.516698     -2.354119
  H      -3.601092     -3.572672     -1.829325
  H      -3.329934     -4.316135      0.530578
  H      -4.360364     -3.030287      2.374718
  H      -4.346661      6.105970      5.918772
  H      -2.825455      6.517987      6.701528
  H      -2.207535      7.819358      4.546262
  H      -3.499660      8.481720      5.568677
  H      -4.011766      8.514580      3.064205
  H      -3.973838      6.757042      3.086696
  H      -7.494221      8.661362      6.608292
  H      -9.950843      6.080125      3.696794
  H      -9.445997      4.890590      1.559860
  H      -7.186458      5.082875      0.528476
  H      -5.423283      6.418184      1.615449
  H      -6.194946      2.817994      8.039110
  H      -6.372559      2.356506      6.335912
  H      -6.400113      5.213290      7.424580
  H      -6.391009      4.789251      5.703070
  H      -8.588473      3.856852      7.639227
  H      -8.654284      5.357248      6.727656
  H      -8.007478      1.790640      2.961696
  H     -12.547199      2.532276      3.027019
  H     -14.104504      3.754141      4.557023
  H     -13.216691      4.912924      6.575325
  H     -10.798934      4.874071      7.077716
  N      -5.045638      3.972479      3.777273
  H      -5.959832      3.529757      3.639491
  H      -5.058071      4.877321      3.307410
98
Coordinates from ORCA-job orca E -6204.338150441908
  N      -3.103520      1.659073      4.416579
  Mo     -3.658633      3.429736      5.100823
  N      -4.522281      3.230573      6.848257
  C      -3.676838      3.084605      8.029713
  C      -2.401308      2.338872      7.643168
  N      -1.835874      2.923597      6.402009
  C      -1.015776      1.954010      5.635313
  C      -1.905347      0.974875      4.874241
  C      -1.091481      4.189746      6.630746
  C      -1.239098      5.055540      5.373275
  N      -2.654895      5.187018      5.043401
  H      -1.327390      0.568448      4.019834
  H      -2.157670      0.103448      5.511294
  H      -0.419149      2.533901      4.918609
  H      -0.314889      1.422880      6.304846
  H      -0.767403      6.040661      5.538828
  H      -0.697995      4.590318      4.532748
  H      -1.556310      4.706804      7.482035
  H      -0.036748      3.983803      6.890882
  H      -4.192762      2.511256      8.819945
  H      -3.424176      4.070020      8.470415
  H      -2.660722      1.295172      7.416024
  H      -1.655237      2.344151      8.459060
  C      -3.995121      0.875472      3.570392
  C      -4.361258     -0.518318      4.102187
  C      -5.713963     -0.993028      3.522571
  C      -5.852982     -0.721163      2.048955
  N      -6.570130      0.350747      1.705433
  C      -6.654589      0.652642      0.385890
  N      -6.110271      0.006120     -0.628312
  C      -5.385835     -1.111566     -0.305184
  C      -4.782364     -1.866533     -1.338767
  C      -4.045877     -2.997568     -1.036236
  C      -3.888575     -3.415388      0.303394
  C      -4.467374     -2.696662      1.333159
  C      -5.224851     -1.530823      1.054431
  C      -3.291201      6.339086      5.694098
  C      -3.233523      7.640717      4.879208
  C      -4.199907      7.630678      3.691775
  C      -5.653811      7.625671      4.107866
  N      -5.967626      8.219190      5.258507
  C      -7.255426      8.148516      5.673742
  N      -8.257678      7.507804      5.098163
  C      -7.967550      6.892083      3.911619
  C      -8.980226      6.154027      3.250288
  C      -8.706191      5.505959      2.060827
  C      -7.427095      5.602257      1.471184
  C      -6.424883      6.330904      2.085571
  C      -6.658474      6.964551      3.333801
  C      -5.975962      3.139292      7.025529
  C      -6.707415      4.448747      6.715657
  C      -8.231275      4.342944      6.721757
  C      -8.853183      3.626734      5.547925
  N      -8.074719      2.968355      4.696455
  C      -8.665494      2.351723      3.635415
  N      -9.949386      2.338627      3.328696
  C     -10.777293      3.012461      4.185386
  C     -12.165859      3.055142      3.909798
  C     -13.021966      3.731422      4.756851
  C     -12.525366      4.386575      5.906054
  C     -11.174503      4.360888      6.196924
  C     -10.271931      3.677495      5.345311
  H      -3.581499      0.780482      2.544434
  H      -4.928951      1.441296      3.463379
  H      -4.458094     -0.475929      5.199327
  H      -3.569436     -1.247369      3.872183
  H      -5.853626     -2.064252      3.734423
  H      -6.524864     -0.445055      4.022864
  H      -7.246192      1.544499      0.148220
  H      -4.919924     -1.528911     -2.366925
  H      -3.583854     -3.576432     -1.837939
  H      -3.308606     -4.312933      0.524711
  H      -4.344993     -3.028356      2.364946
  H      -4.346959      6.103914      5.900339
  H      -2.828384      6.520125      6.684929
  H      -2.206943      7.803472      4.515066
  H      -3.488497      8.479803      5.542339
  H      -4.019845      8.507338      3.044945
  H      -3.985052      6.749525      3.068257
  H      -7.476824      8.671492      6.610232
  H      -9.966549      6.106882      3.713036
  H      -9.481828      4.913691      1.572984
  H      -7.225119      5.085496      0.532289
  H      -5.446349      6.407438      1.610189
  H      -6.193084      2.829319      8.064236
  H      -6.379299      2.354176      6.366318
  H      -6.398617      5.217487      7.442241
  H      -6.384785      4.791435      5.721186
  H      -8.590311      3.861421      7.650504
  H      -8.650067      5.362511      6.738742
  H      -7.985733      1.801320      2.973066
  H     -12.525722      2.542143      3.016639
  H     -14.090974      3.763763      4.539015
  H     -13.213964      4.919008      6.564022
  H     -10.799776      4.877529      7.080566
  N      -5.065677      3.960569      3.805250
  H      -5.984236      3.517547      3.698192
  H      -5.082200      4.851034      3.308889
98
Coordinates from ORCA-job orca E -6204.338891581187
  N      -3.105087      1.666841      4.410384
  Mo     -3.655993      3.432586      5.111020
  N      -4.527409      3.237045      6.853885
  C      -3.684191      3.089285      8.038033
  C      -2.406629      2.344231      7.656973
  N      -1.840377      2.923968      6.413791
  C      -1.026515      1.948691      5.646289
  C      -1.924669      0.970042      4.897802
  C      -1.090363      4.187230      6.640499
  C      -1.226096      5.048940      5.379231
  N      -2.638727      5.181368      5.034228
  H      -1.345382      0.532754      4.059974
  H      -2.200927      0.119237      5.552512
  H      -0.436773      2.525006      4.920820
  H      -0.320135      1.420524      6.312407
  H      -0.755347      6.034059      5.546815
  H      -0.677244      4.581385      4.544992
  H      -1.559614      4.710276      7.485878
  H      -0.038886      3.976465      6.909562
  H      -4.203005      2.515135      8.825724
  H      -3.433739      4.074521      8.480464
  H      -2.662976      1.298570      7.435688
  H      -1.662684      2.356051      8.474532
  C      -3.986517      0.884365      3.550505
  C      -4.369030     -0.503785      4.088002
  C      -5.721306     -0.972603      3.502898
  C      -5.851022     -0.708401      2.027175
  N      -6.564874      0.362510      1.673756
  C      -6.643080      0.656404      0.351966
  N      -6.094684      0.003407     -0.656020
  C      -5.372820     -1.112531     -0.322673
  C      -4.764703     -1.873916     -1.348843
  C      -4.030745     -3.003862     -1.036419
  C      -3.880724     -3.414308      0.306433
  C      -4.464153     -2.689101      1.329096
  C      -5.218978     -1.524251      1.040198
  C      -3.276723      6.339210      5.675079
  C      -3.212999      7.635370      4.852304
  C      -4.187056      7.625628      3.671262
  C      -5.637678      7.626284      4.098121
  N      -5.940323      8.222955      5.249967
  C      -7.225034      8.157542      5.675394
  N      -8.234249      7.519300      5.109425
  C      -7.955602      6.901087      3.921009
  C      -8.976836      6.167981      3.268120
  C      -8.715376      5.519396      2.076048
  C      -7.440111      5.608112      1.477466
  C      -6.428973      6.330382      2.084953
  C      -6.650610      6.966863      3.333728
  C      -5.981718      3.148989      7.034929
  C      -6.715147      4.454562      6.712902
  C      -8.239022      4.343555      6.718522
  C      -8.861725      3.622796      5.547743
  N      -8.084359      2.968369      4.691979
  C      -8.676886      2.348125      3.634134
  N      -9.962437      2.326646      3.334813
  C     -10.789596      2.996124      4.195475
  C     -12.179781      3.030751      3.926983
  C     -13.035478      3.702963      4.777692
  C     -12.536542      4.361587      5.923936
  C     -11.184070      4.343695      6.207971
  C     -10.281699      3.665046      5.352227
  H      -3.550642      0.777594      2.535194
  H      -4.914865      1.454058      3.417943
  H      -4.474492     -0.453188      5.183923
  H      -3.580584     -1.240005      3.869715
  H      -5.869729     -2.041585      3.720370
  H      -6.531063     -0.415339      3.994700
  H      -7.232744      1.547203      0.106649
  H      -4.896749     -1.541936     -2.379589
  H      -3.565277     -3.587264     -1.832802
  H      -3.302729     -4.310930      0.536425
  H      -4.346997     -3.015305      2.363275
  H      -4.333954      6.107910      5.878395
  H      -2.817601      6.523567      6.666781
  H      -2.187172      7.786039      4.480920
  H      -3.456732      8.480833      5.511528
  H      -4.009620      8.501272      3.022277
  H      -3.979666      6.743017      3.047521
  H      -7.436817      8.680409      6.614147
  H      -9.959631      6.125982      3.738754
  H      -9.498060      4.932188      1.593403
  H      -7.247362      5.091276      0.536566
  H      -5.453203      6.400956      1.603013
  H      -6.195920      2.851766      8.077855
  H      -6.386294      2.354805      6.387703
  H      -6.410992      5.229036      7.435146
  H      -6.390929      4.791855      5.717210
  H      -8.596415      3.863564      7.648644
  H      -8.661036      5.361891      6.733048
  H      -7.997808      1.802686      2.966921
  H     -12.541363      2.514977      3.036139
  H     -14.105764      3.729284      4.565316
  H     -13.224823      4.890418      6.585121
  H     -10.808228      4.862871      7.089688
  N      -5.074283      3.957436      3.820431
  H      -5.999719      3.521123      3.746339
  H      -5.088764      4.829847      3.293033
98
Coordinates from ORCA-job orca E -6204.339566668031
  N      -3.111102      1.673425      4.403135
  Mo     -3.659592      3.432936      5.121175
  N      -4.530660      3.237857      6.863988
  C      -3.684360      3.087252      8.046587
  C      -2.406154      2.344115      7.663812
  N      -1.843297      2.921740      6.418087
  C      -1.037087      1.943106      5.646103
  C      -1.944894      0.965685      4.910206
  C      -1.089228      4.182880      6.641440
  C      -1.220832      5.042619      5.378760
  N      -2.632352      5.174574      5.027491
  H      -1.368373      0.503629      4.084114
  H      -2.239558      0.132648      5.579640
  H      -0.455716      2.517528      4.912234
  H      -0.324056      1.416501      6.306365
  H      -0.751664      6.028237      5.547194
  H      -0.668806      4.575001      4.546651
  H      -1.558798      4.709064      7.484858
  H      -0.039015      3.968779      6.912962
  H      -4.202068      2.511223      8.833541
  H      -3.434634      4.071977      8.490578
  H      -2.659976      1.296937      7.446980
  H      -1.661161      2.360857      8.480203
  C      -3.987172      0.894924      3.532584
  C      -4.390761     -0.485857      4.075425
  C      -5.742006     -0.945779      3.481173
  C      -5.856289     -0.692586      2.002256
  N      -6.562307      0.378462      1.633744
  C      -6.627357      0.661922      0.308876
  N      -6.072267     -0.000914     -0.689071
  C      -5.357669     -1.116518     -0.340274
  C      -4.742346     -1.887915     -1.354508
  C      -4.015657     -3.018020     -1.026440
  C      -3.880370     -3.418857      0.321064
  C      -4.470987     -2.683726      1.332331
  C      -5.218442     -1.518315      1.027413
  C      -3.271002      6.335868      5.663635
  C      -3.204260      7.627639      4.834839
  C      -4.184819      7.617145      3.659253
  C      -5.633237      7.622650      4.093839
  N      -5.928544      8.224254      5.245087
  C      -7.211462      8.165258      5.676159
  N      -8.226357      7.530924      5.115564
  C      -7.955551      6.908959      3.926996
  C      -8.983886      6.182370      3.278394
  C      -8.731250      5.532877      2.084813
  C      -7.457437      5.612433      1.482123
  C      -6.438691      6.326503      2.086899
  C      -6.652073      6.965875      3.335505
  C      -5.984446      3.157761      7.053596
  C      -6.713417      4.464592      6.726677
  C      -8.236829      4.353097      6.727596
  C      -8.852544      3.630759      5.554486
  N      -8.068291      2.985463      4.697956
  C      -8.653563      2.361951      3.638303
  N      -9.938887      2.327536      3.338755
  C     -10.773252      2.987256      4.200023
  C     -12.163757      3.007495      3.931347
  C     -13.026800      3.669629      4.782649
  C     -12.534967      4.331941      5.929773
  C     -11.182317      4.327837      6.214210
  C     -10.272561      3.659838      5.357904
  H      -3.531981      0.775140      2.527411
  H      -4.906611      1.473125      3.377918
  H      -4.506306     -0.426769      5.169834
  H      -3.607438     -1.231226      3.870117
  H      -5.902910     -2.011500      3.705992
  H      -6.550292     -0.375871      3.960767
  H      -7.211543      1.552720      0.051258
  H      -4.863074     -1.563288     -2.389014
  H      -3.544618     -3.608931     -1.813927
  H      -3.308040     -4.315711      0.563824
  H      -4.365020     -3.002415      2.370078
  H      -4.328879      6.106545      5.865897
  H      -2.812994      6.521598      6.655394
  H      -2.179428      7.769300      4.457280
  H      -3.439156      8.478222      5.490669
  H      -4.009691      8.491610      3.007956
  H      -3.983762      6.733030      3.035789
  H      -7.418007      8.692464      6.613760
  H      -9.965096      6.147152      3.752895
  H      -9.520071      4.952106      1.604352
  H      -7.271489      5.096233      0.539376
  H      -5.463934      6.390339      1.601880
  H      -6.194585      2.869021      8.099501
  H      -6.395908      2.360341      6.414426
  H      -6.411854      5.239986      7.448889
  H      -6.384506      4.799976      5.732138
  H      -8.596056      3.871777      7.656290
  H      -8.661318      5.370501      6.741165
  H      -7.969087      1.824803      2.970179
  H     -12.519726      2.488972      3.039853
  H     -14.097279      3.684931      4.570116
  H     -13.228993      4.852412      6.591647
  H     -10.812440      4.849337      7.097130
  N      -5.095719      3.951749      3.842973
  H      -6.028105      3.524205      3.806237
  H      -5.110336      4.804578      3.284355
98
Coordinates from ORCA-job orca E -6204.340195492155
  N      -3.110272      1.680168      4.396328
  Mo     -3.659675      3.434021      5.126686
  N      -4.534287      3.240815      6.868424
  C      -3.687111      3.089991      8.051009
  C      -2.407976      2.347256      7.670360
  N      -1.844276      2.920022      6.422771
  C      -1.043955      1.936564      5.650399
  C      -1.959172      0.961695      4.922485
  C      -1.086124      4.178867      6.642235
  C      -1.212047      5.035117      5.377150
  N      -2.622331      5.167681      5.020610
  H      -1.384232      0.478037      4.108016
  H      -2.272597      0.144915      5.603482
  H      -0.465851      2.507676      4.911286
  H      -0.328965      1.409828      6.308480
  H      -0.743674      6.021063      5.545394
  H      -0.657557      4.566142      4.547506
  H      -1.555761      4.709152      7.483131
  H      -0.037225      3.961530      6.916617
  H      -4.205029      2.513640      8.837561
  H      -3.438711      4.075063      8.494999
  H      -2.659723      1.298549      7.458943
  H      -1.663734      2.369207      8.487313
  C      -3.981541      0.906993      3.515626
  C      -4.413714     -0.462745      4.065628
  C      -5.764367     -0.909510      3.460751
  C      -5.860203     -0.669044      1.978437
  N      -6.554575      0.403499      1.592804
  C      -6.604109      0.674554      0.264613
  N      -6.043345     -0.001240     -0.721495
  C      -5.340014     -1.118257     -0.354999
  C      -4.719220     -1.903252     -1.355300
  C      -4.004321     -3.035319     -1.009067
  C      -3.886756     -3.424875      0.343602
  C      -4.482898     -2.676358      1.341525
  C      -5.218322     -1.508270      1.017987
  C      -3.260831      6.332260      5.652694
  C      -3.189802      7.620234      4.818930
  C      -4.176226      7.610736      3.648451
  C      -5.622334      7.622275      4.090486
  N      -5.909277      8.225561      5.243078
  C      -7.189828      8.171157      5.680929
  N      -8.210174      7.540454      5.125610
  C      -7.948056      6.917602      3.935565
  C      -8.982816      6.195779      3.291828
  C      -8.739513      5.547633      2.095624
  C      -7.468498      5.622518      1.486326
  C      -6.443156      6.330301      2.087319
  C      -6.647303      6.969378      3.337594
  C      -5.987976      3.165463      7.062267
  C      -6.716712      4.471268      6.728653
  C      -8.239833      4.356370      6.724639
  C      -8.852378      3.632859      5.550027
  N      -8.065447      3.000105      4.686020
  C      -8.649388      2.374094      3.627084
  N      -9.936055      2.325598      3.334897
  C     -10.772983      2.972273      4.203532
  C     -12.165374      2.976424      3.943682
  C     -13.031216      3.625360      4.802515
  C     -12.540359      4.290162      5.948434
  C     -11.185758      4.301506      6.224478
  C     -10.273420      3.647018      5.360614
  H      -3.505177      0.769444      2.522679
  H      -4.887552      1.499109      3.335924
  H      -4.541007     -0.391999      5.158055
  H      -3.638833     -1.221189      3.876645
  H      -5.942078     -1.970812      3.694056
  H      -6.569489     -0.323660      3.926260
  H      -7.179736      1.566457     -0.007589
  H      -4.826454     -1.587326     -2.393998
  H      -3.529039     -3.636721     -1.785990
  H      -3.323730     -4.323600      0.600765
  H      -4.390741     -2.986104      2.383284
  H      -4.319337      6.104870      5.853467
  H      -2.804153      6.518849      6.644756
  H      -2.165890      7.753180      4.435757
  H      -3.415701      8.475461      5.471917
  H      -4.002148      8.484163      2.995337
  H      -3.982239      6.725099      3.025035
  H      -7.390285      8.699312      6.619368
  H      -9.961361      6.163539      3.772089
  H      -9.533607      4.971268      1.618550
  H      -7.289709      5.108017      0.541248
  H      -5.470508      6.390391      1.597539
  H      -6.195814      2.884302      8.110513
  H      -6.402711      2.364306      6.429652
  H      -6.419812      5.248486      7.450836
  H      -6.383591      4.805486      5.735415
  H      -8.598801      3.873378      7.652550
  H      -8.668309      5.372171      6.738822
  H      -7.962742      1.851513      2.949723
  H     -12.520554      2.456383      3.052761
  H     -14.103133      3.628132      4.596745
  H     -13.236505      4.800058      6.616314
  H     -10.816650      4.824503      7.106866
  N      -5.111196      3.945858      3.859978
  H      -6.051089      3.531681      3.862313
  H      -5.125407      4.778191      3.271255
98
Coordinates from ORCA-job orca E -6204.340801147414
  N      -3.107977      1.691969      4.384953
  Mo     -3.662553      3.437316      5.130969
  N      -4.536462      3.240604      6.874392
  C      -3.686457      3.088544      8.054779
  C      -2.406750      2.347919      7.672213
  N      -1.843870      2.919159      6.423737
  C      -1.048384      1.933852      5.648993
  C      -1.969774      0.963289      4.924518
  C      -1.083572      4.176495      6.640941
  C      -1.207558      5.031023      5.374988
  N      -2.617712      5.163682      5.017467
  H      -1.396844      0.464441      4.118102
  H      -2.298429      0.158055      5.612299
  H      -0.471998      2.503637      4.907514
  H      -0.332688      1.404679      6.304385
  H      -0.740286      6.017465      5.543056
  H      -0.652620      4.562162      4.545705
  H      -1.551994      4.708589      7.481400
  H      -0.034908      3.957516      6.915372
  H      -4.202285      2.509729      8.840949
  H      -3.439357      4.073213      8.500416
  H      -2.656592      1.298237      7.463700
  H      -1.661934      2.372793      8.488606
  C      -3.975988      0.924581      3.495388
  C      -4.438114     -0.432289      4.053212
  C      -5.788720     -0.864452      3.438375
  C      -5.865440     -0.640921      1.952380
  N      -6.544435      0.433917      1.546532
  C      -6.577540      0.688387      0.214520
  N      -6.013611     -0.005275     -0.757316
  C      -5.325952     -1.125017     -0.369829
  C      -4.703554     -1.929324     -1.353632
  C      -4.005539     -3.064982     -0.985788
  C      -3.906996     -3.439168      0.372895
  C      -4.504760     -2.671558      1.354984
  C      -5.222996     -1.498971      1.009222
  C      -3.255760      6.330746      5.646790
  C      -3.181049      7.614675      4.807713
  C      -4.172464      7.604054      3.641846
  C      -5.616651      7.622032      4.089785
  N      -5.897445      8.230323      5.241490
  C      -7.176371      8.181532      5.683836
  N      -8.200442      7.551008      5.134469
  C      -7.944603      6.923718      3.945594
  C      -8.983705      6.202728      3.307568
  C      -8.747095      5.552319      2.111288
  C      -7.478157      5.622466      1.496836
  C      -6.448186      6.327341      2.093114
  C      -6.645883      6.970084      3.342615
  C      -5.989579      3.169177      7.073014
  C      -6.718709      4.477122      6.746310
  C      -8.241045      4.356471      6.731479
  C      -8.844329      3.636203      5.549685
  N      -8.050342      3.018372      4.680497
  C      -8.627362      2.393978      3.616989
  N      -9.913909      2.330370      3.326500
  C     -10.757735      2.961735      4.199843
  C     -12.150446      2.950281      3.941879
  C     -13.023203      3.584165      4.805309
  C     -12.539253      4.248969      5.953859
  C     -11.184259      4.275123      6.228424
  C     -10.265293      3.635960      5.360220
  H      -3.479938      0.767820      2.515007
  H      -4.865839      1.533123      3.292748
  H      -4.576456     -0.348429      5.143453
  H      -3.673366     -1.205030      3.881313
  H      -5.985756     -1.919935      3.682612
  H      -6.589076     -0.260024      3.888095
  H      -7.141001      1.582486     -0.075180
  H      -4.796339     -1.625241     -2.397263
  H      -3.529057     -3.681634     -1.749911
  H      -3.357392     -4.341289      0.646684
  H      -4.427796     -2.969000      2.401538
  H      -4.314643      6.104505      5.846406
  H      -2.800121      6.518465      6.638989
  H      -2.158130      7.739421      4.419121
  H      -3.398584      8.474941      5.456909
  H      -3.998911      8.474763      2.984865
  H      -3.985029      6.715286      3.020905
  H      -7.372770      8.713234      6.621145
  H      -9.960199      6.173487      3.792264
  H      -9.544840      4.977429      1.638559
  H      -7.304855      5.106737      0.551436
  H      -5.476964      6.383146      1.599923
  H      -6.194742      2.884932      8.120800
  H      -6.408483      2.371298      6.438521
  H      -6.429045      5.249031      7.477077
  H      -6.379505      4.821331      5.759090
  H      -8.602252      3.866135      7.654665
  H      -8.675308      5.369816      6.750246
  H      -7.935817      1.883113      2.935811
  H     -12.500347      2.430767      3.048573
  H     -14.095341      3.574696      4.600816
  H     -13.240668      4.746880      6.625264
  H     -10.820104      4.797746      7.113068
  N      -5.134047      3.942084      3.883586
  H      -6.079959      3.541269      3.927098
  H      -5.152871      4.756161      3.269883
98
Coordinates from ORCA-job orca E -6204.341386305793
  N      -3.093902      1.704790      4.371433
  Mo     -3.661345      3.439941      5.130569
  N      -4.536438      3.235845      6.874910
  C      -3.685840      3.084588      8.054464
  C      -2.403562      2.348317      7.671829
  N      -1.839538      2.920297      6.424278
  C      -1.043541      1.936361      5.649020
  C      -1.965876      0.969127      4.922072
  C      -1.081122      4.178285      6.641384
  C      -1.204437      5.031518      5.374722
  N      -2.614818      5.162077      5.016847
  H      -1.392076      0.461929      4.121720
  H      -2.305902      0.170079      5.611671
  H      -0.466320      2.506749      4.908783
  H      -0.329084      1.404863      6.303871
  H      -0.739766      6.019099      5.542847
  H      -0.648415      4.563865      4.545665
  H      -1.549996      4.710353      7.481556
  H      -0.032147      3.960853      6.916146
  H      -4.199526      2.502324      8.839604
  H      -3.442256      4.069174      8.502272
  H      -2.649861      1.297618      7.464157
  H      -1.659716      2.375612      8.489174
  C      -3.957716      0.940709      3.474298
  C      -4.449018     -0.401846      4.041667
  C      -5.801240     -0.819723      3.421048
  C      -5.864250     -0.614026      1.932065
  N      -6.526969      0.463771      1.507918
  C      -6.548221      0.700388      0.172364
  N      -5.986905     -0.013348     -0.786326
  C      -5.316141     -1.136642     -0.379639
  C      -4.698491     -1.962509     -1.348513
  C      -4.018760     -3.102541     -0.960747
  C      -3.934254     -3.459719      0.403526
  C      -4.527378     -2.670769      1.371238
  C      -5.226968     -1.492963      1.004886
  C      -3.253862      6.329412      5.645257
  C      -3.176779      7.611849      4.804491
  C      -4.171399      7.601231      3.641582
  C      -5.614084      7.622955      4.094369
  N      -5.889951      8.232804      5.246758
  C      -7.167200      8.186593      5.693327
  N      -8.194108      7.557094      5.147389
  C      -7.943428      6.928969      3.958267
  C      -8.985892      6.209356      3.323497
  C      -8.755008      5.560366      2.125398
  C      -7.488360      5.629609      1.505835
  C      -6.454686      6.331232      2.099488
  C      -6.646669      6.973163      3.350450
  C      -5.989448      3.163597      7.072186
  C      -6.720884      4.473932      6.756756
  C      -8.242665      4.348016      6.730830
  C      -8.841394      3.631143      5.544000
  N      -8.045785      3.020849      4.669967
  C      -8.621279      2.399398      3.604093
  N      -9.908130      2.330451      3.315613
  C     -10.753657      2.953309      4.193644
  C     -12.146733      2.935708      3.938566
  C     -13.021194      3.561907      4.806356
  C     -12.538724      4.225008      5.956150
  C     -11.183039      4.256930      6.228228
  C     -10.262625      3.625236      5.356024
  H      -3.443442      0.763808      2.506817
  H      -4.830990      1.565507      3.249861
  H      -4.595551     -0.303198      5.129723
  H      -3.695763     -1.189359      3.886539
  H      -6.016953     -1.868869      3.676855
  H      -6.595118     -0.197330      3.857540
  H      -7.098750      1.597075     -0.133666
  H      -4.780620     -1.671443     -2.396748
  H      -3.545955     -3.736436     -1.712978
  H      -3.399215     -4.365962      0.692221
  H      -4.462008     -2.954556      2.422340
  H      -4.312930      6.102539      5.842606
  H      -2.800111      6.516880      6.638278
  H      -2.154525      7.732092      4.412591
  H      -3.388901      8.474790      5.451915
  H      -3.998031      8.470158      2.982060
  H      -3.988416      6.710291      3.022262
  H      -7.360749      8.721193      6.629678
  H      -9.960523      6.180624      3.812103
  H      -9.555483      4.987125      1.655272
  H      -7.320537      5.115500      0.558558
  H      -5.485161      6.386088      1.602787
  H      -6.195416      2.869738      8.117127
  H      -6.408148      2.372304      6.429215
  H      -6.439087      5.238150      7.498672
  H      -6.375775      4.832619      5.776950
  H      -8.606597      3.852404      7.650207
  H      -8.680529      5.359781      6.753510
  H      -7.928341      1.901225      2.914927
  H     -12.495653      2.418146      3.043728
  H     -14.093658      3.547527      4.603702
  H     -13.241246      4.717162      6.630678
  H     -10.819421      4.778318      7.113762
  N      -5.151921      3.934050      3.904761
  H      -6.102218      3.547056      3.988553
  H      -5.176951      4.730204      3.267758
98
Coordinates from ORCA-job orca E -6204.341908386674
  N      -3.073176      1.720652      4.354793
  Mo     -3.658613      3.443311      5.127414
  N      -4.536112      3.228203      6.871951
  C      -3.687293      3.079599      8.052151
  C      -2.401358      2.348894      7.671701
  N      -1.835461      2.923004      6.426220
  C      -1.035074      1.941362      5.652841
  C      -1.954570      0.978677      4.916306
  C      -1.080625      4.182729      6.645641
  C      -1.202405      5.034700      5.378064
  N      -2.613020      5.162411      5.018161
  H      -1.376807      0.468569      4.120827
  H      -2.304906      0.180938      5.602212
  H      -0.452237      2.512864      4.918066
  H      -0.325726      1.406323      6.310228
  H      -0.740840      6.023567      5.546625
  H      -0.643928      4.568141      4.550216
  H      -1.552132      4.714384      7.484542
  H      -0.031643      3.968298      6.922677
  H      -4.199406      2.493553      8.835679
  H      -3.448530      4.064243      8.502521
  H      -2.643147      1.297275      7.463311
  H      -1.659597      2.378253      8.490926
  C      -3.932154      0.958255      3.450037
  C      -4.454037     -0.368075      4.027803
  C      -5.809314     -0.769928      3.403791
  C      -5.861169     -0.583776      1.912083
  N      -6.505618      0.497570      1.469120
  C      -6.517420      0.713797      0.129978
  N      -5.963089     -0.023129     -0.815128
  C      -5.311552     -1.150495     -0.388600
  C      -4.703802     -2.001175     -1.342319
  C      -4.044661     -3.146215     -0.934183
  C      -3.971417     -3.483624      0.435745
  C      -4.554963     -2.670107      1.388851
  C      -5.233599     -1.486627      1.001326
  C      -3.253714      6.330743      5.643116
  C      -3.173875      7.611060      4.799715
  C      -4.171100      7.599255      3.639221
  C      -5.612154      7.624472      4.096845
  N      -5.883087      8.237415      5.249039
  C      -7.158618      8.193956      5.700259
  N      -8.187878      7.563202      5.159827
  C      -7.942224      6.932383      3.971496
  C      -8.987891      6.212842      3.341394
  C      -8.762805      5.563028      2.142703
  C      -7.498412      5.629760      1.518097
  C      -6.461159      6.329754      2.107438
  C      -6.647798      6.973937      3.358200
  C      -5.989357      3.152036      7.064668
  C      -6.725561      4.466931      6.776611
  C      -8.246550      4.333803      6.738223
  C      -8.839050      3.627028      5.542203
  N      -8.040236      3.026960      4.663229
  C      -8.611109      2.414293      3.590273
  N      -9.897737      2.339258      3.301651
  C     -10.747047      2.950395      4.184686
  C     -12.139733      2.927109      3.929085
  C     -13.018147      3.542479      4.801099
  C     -12.540095      4.199792      5.955657
  C     -11.184456      4.237016      6.228661
  C     -10.260221      3.616446      5.352428
  H      -3.400386      0.759856      2.496394
  H      -4.787703      1.599049      3.203833
  H      -4.607179     -0.252960      5.113467
  H      -3.714219     -1.171424      3.889912
  H      -6.044974     -1.811660      3.672053
  H      -6.594851     -0.128669      3.827812
  H      -7.052822      1.613719     -0.192796
  H      -4.777246     -1.725070     -2.395230
  H      -3.579513     -3.799869     -1.674212
  H      -3.452728     -4.394420      0.739677
  H      -4.498932     -2.938202      2.444583
  H      -4.313183      6.103534      5.837584
  H      -2.802975      6.519878      6.637132
  H      -2.152114      7.726852      4.404992
  H      -3.381304      8.476740      5.444896
  H      -3.997548      8.465556      2.976304
  H      -3.991453      6.705530      3.022785
  H      -7.348195      8.731009      6.635964
  H      -9.960699      6.185606      3.833754
  H      -9.565805      4.990388      1.676247
  H      -7.336349      5.114898      0.570237
  H      -5.493340      6.382736      1.607203
  H      -6.196810      2.835922      8.102908
  H      -6.405884      2.374439      6.404147
  H      -6.453038      5.214916      7.538386
  H      -6.375887      4.852794      5.808841
  H      -8.613780      3.826804      7.650170
  H      -8.688215      5.343692      6.770591
  H      -7.914980      1.926089      2.896947
  H     -12.485457      2.414361      3.030238
  H     -14.090397      3.523460      4.597617
  H     -13.245424      4.683360      6.633423
  H     -10.823897      4.753847      7.118010
  N      -5.164666      3.925773      3.922773
  H      -6.117083      3.547924      4.036799
  H      -5.195024      4.701537      3.260621
98
Coordinates from ORCA-job orca E -6204.342345857367
  N      -3.047170      1.730528      4.339321
  Mo     -3.652609      3.442599      5.119644
  N      -4.535385      3.217734      6.862140
  C      -3.691249      3.077032      8.045728
  C      -2.401134      2.350107      7.672320
  N      -1.831422      2.924585      6.428987
  C      -1.023968      1.944493      5.661082
  C      -1.938060      0.984290      4.914918
  C      -1.080489      4.186459      6.650691
  C      -1.200173      5.036758      5.381781
  N      -2.610874      5.160996      5.019359
  H      -1.354147      0.471357      4.125877
  H      -2.298641      0.187617      5.596632
  H      -0.434469      2.516143      4.931834
  H      -0.320430      1.408165      6.323441
  H      -0.741290      6.026743      5.550137
  H      -0.639162      4.570145      4.555792
  H      -1.555851      4.718123      7.487389
  H      -0.031909      3.975432      6.931351
  H      -4.203861      2.491006      8.829036
  H      -3.457484      4.063523      8.494777
  H      -2.638826      1.297465      7.463856
  H      -1.663217      2.382167      8.494873
  C      -3.899656      0.965880      3.428196
  C      -4.452596     -0.342473      4.018116
  C      -5.811415     -0.728155      3.391500
  C      -5.854578     -0.558809      1.897794
  N      -6.481553      0.526448      1.438922
  C      -6.485730      0.725184      0.097028
  N      -5.939040     -0.032111     -0.836357
  C      -5.305325     -1.163153     -0.393132
  C      -4.706951     -2.034783     -1.333928
  C      -4.066024     -3.184129     -0.908790
  C      -4.002302     -3.504844      0.465459
  C      -4.576984     -2.670576      1.406171
  C      -5.236889     -1.482373      1.000977
  C      -3.253817      6.328821      5.642886
  C      -3.173857      7.609851      4.800872
  C      -4.173456      7.598686      3.642154
  C      -5.613094      7.622878      4.104755
  N      -5.879658      8.233121      5.259758
  C      -7.153603      8.190326      5.715020
  N      -8.186092      7.564391      5.174960
  C      -7.945461      6.937992      3.983328
  C      -8.995945      6.227236      3.351304
  C      -8.777204      5.584563      2.147426
  C      -7.513985      5.648223      1.520476
  C      -6.471048      6.337934      2.112656
  C      -6.652103      6.976648      3.367155
  C      -5.989063      3.137784      7.046839
  C      -6.725311      4.456878      6.776898
  C      -8.246415      4.324678      6.734946
  C      -8.840762      3.621741      5.538327
  N      -8.043735      3.026408      4.654516
  C      -8.614868      2.418393      3.579699
  N      -9.902278      2.340585      3.294768
  C     -10.750894      2.945371      4.183167
  C     -12.143996      2.918383      3.931645
  C     -13.022056      3.528473      4.808103
  C     -12.542835      4.183899      5.962968
  C     -11.186402      4.224745      6.232260
  C     -10.262573      3.609424      5.351876
  H      -3.350800      0.744688      2.489772
  H      -4.738318      1.619254      3.157359
  H      -4.611233     -0.209442      5.100987
  H      -3.727201     -1.161655      3.898012
  H      -6.065956     -1.762655      3.670311
  H      -6.588303     -0.069923      3.805055
  H      -7.007115      1.628156     -0.239700
  H      -4.772891     -1.771176     -2.390517
  H      -3.607938     -3.854253     -1.638455
  H      -3.498012     -4.419348      0.782305
  H      -4.528500     -2.925634      2.465482
  H      -4.313612      6.100725      5.834387
  H      -2.805571      6.517116      6.638073
  H      -2.152522      7.725472      4.404900
  H      -3.379953      8.474919      5.447119
  H      -4.000752      8.464706      2.978735
  H      -3.995029      6.704666      3.025670
  H      -7.338975      8.725096      6.652914
  H      -9.968078      6.202534      3.845146
  H      -9.584349      5.019908      1.678446
  H      -7.358786      5.140159      0.567601
  H      -5.504198      6.390163      1.610410
  H      -6.201030      2.804780      8.079077
  H      -6.401923      2.371078      6.372436
  H      -6.455255      5.193652      7.550432
  H      -6.373545      4.858705      5.815867
  H      -8.615896      3.816620      7.645517
  H      -8.685441      5.335697      6.769388
  H      -7.918199      1.940932      2.879145
  H     -12.490731      2.407458      3.032141
  H     -14.094767      3.506528      4.607362
  H     -13.247575      4.663345      6.644264
  H     -10.825162      4.740102      7.122178
  N      -5.166369      3.912965      3.928349
  H      -6.120347      3.543892      4.062429
  H      -5.197759      4.663529      3.237184
98
Coordinates from ORCA-job orca E -6204.342721860668
  N      -3.029353      1.744747      4.321965
  Mo     -3.649911      3.445238      5.116438
  N      -4.535566      3.209982      6.856523
  C      -3.694756      3.077526      8.042710
  C      -2.402233      2.352307      7.674763
  N      -1.831361      2.926488      6.432041
  C      -1.020082      1.946198      5.667779
  C      -1.930848      0.991882      4.911062
  C      -1.080336      4.188329      6.655744
  C      -1.197356      5.037577      5.386126
  N      -2.607960      5.160889      5.022342
  H      -1.341517      0.476268      4.127852
  H      -2.303432      0.196153      5.587400
  H      -0.422875      2.517665      4.944591
  H      -0.323563      1.406321      6.334516
  H      -0.739044      6.027795      5.554138
  H      -0.635243      4.569696      4.561617
  H      -1.558088      4.721035      7.490463
  H      -0.032665      3.977367      6.939514
  H      -4.208195      2.493405      8.826956
  H      -3.463870      4.066093      8.488728
  H      -2.637667      1.299043      7.466721
  H      -1.666377      2.386479      8.498861
  C      -3.874412      0.977952      3.403947
  C      -4.458057     -0.312518      4.004827
  C      -5.819444     -0.682784      3.374600
  C      -5.852487     -0.531858      1.878723
  N      -6.462703      0.555560      1.402082
  C      -6.458691      0.735178      0.057396
  N      -5.918051     -0.042221     -0.863061
  C      -5.300942     -1.174858     -0.401186
  C      -4.709844     -2.066975     -1.327290
  C      -4.085859     -3.218726     -0.883520
  C      -4.032671     -3.521443      0.495207
  C      -4.600693     -2.666870      1.421878
  C      -5.242916     -1.475798      0.997414
  C      -3.251711      6.329799      5.642859
  C      -3.173480      7.608906      4.797949
  C      -4.176812      7.594516      3.642218
  C      -5.614824      7.615709      4.109407
  N      -5.878186      8.224292      5.266209
  C      -7.150663      8.179959      5.725431
  N      -8.185310      7.556655      5.186529
  C      -7.948057      6.933104      3.992416
  C      -9.001729      6.228372      3.359543
  C      -8.786834      5.588701      2.153229
  C      -7.523601      5.647494      1.526042
  C      -6.477213      6.331204      2.119408
  C      -6.655522      6.969091      3.374693
  C      -5.989448      3.127610      7.037232
  C      -6.725082      4.451153      6.788959
  C      -8.246219      4.320498      6.742071
  C      -8.837775      3.626208      5.539802
  N      -8.037811      3.043119      4.650517
  C      -8.604566      2.442098      3.570023
  N      -9.891763      2.356469      3.285913
  C     -10.743851      2.947735      4.180171
  C     -12.136864      2.912045      3.929772
  C     -13.018955      3.509540      4.811088
  C     -12.543534      4.160259      5.969979
  C     -11.187090      4.209019      6.238612
  C     -10.259416      3.606782      5.353521
  H      -3.308506      0.734034      2.481865
  H      -4.695365      1.641073      3.106443
  H      -4.622271     -0.161878      5.084589
  H      -3.746934     -1.146441      3.902251
  H      -6.092508     -1.709593      3.664196
  H      -6.588288     -0.007906      3.775921
  H      -6.966863      1.639723     -0.294409
  H      -4.767623     -1.816998     -2.387678
  H      -3.633319     -3.904551     -1.601926
  H      -3.541906     -4.437959      0.827034
  H      -4.560161     -2.908510      2.484706
  H      -4.311467      6.101574      5.834605
  H      -2.803910      6.520401      6.637709
  H      -2.153342      7.723226      4.398611
  H      -3.377847      8.474832      5.443439
  H      -4.007219      8.459824      2.977250
  H      -3.997843      6.700094      3.026662
  H      -7.331850      8.710588      6.666370
  H      -9.973587      6.206329      3.853959
  H      -9.596669      5.029265      1.682738
  H      -7.371916      5.141560      0.571393
  H      -5.510286      6.380904      1.617021
  H      -6.203382      2.776572      8.063210
  H      -6.400436      2.371948      6.350189
  H      -6.456818      5.174053      7.575931
  H      -6.371874      4.869891      5.835786
  H      -8.619441      3.808176      7.648606
  H      -8.682873      5.332588      6.780666
  H      -7.904269      1.975623      2.865786
  H     -12.480686      2.405016      3.026987
  H     -14.091602      3.481088      4.610878
  H     -13.251113      4.629729      6.655249
  H     -10.829240      4.720726      7.132069
  N      -5.169715      3.908984      3.936660
  H      -6.125885      3.550066      4.086376
  H      -5.201065      4.632256      3.216865
98
Coordinates from ORCA-job orca E -6204.343060843844
  N      -3.005769      1.749494      4.308304
  Mo     -3.642010      3.442879      5.107467
  N      -4.534590      3.200618      6.842111
  C      -3.699602      3.079990      8.033535
  C      -2.404360      2.353811      7.675895
  N      -1.828286      2.925569      6.434483
  C      -1.012082      1.943691      5.677273
  C      -1.919222      0.991785      4.914435
  C      -1.077260      4.187324      6.660482
  C      -1.191930      5.035938      5.390432
  N      -2.602434      5.158313      5.025763
  H      -1.324471      0.469838      4.139605
  H      -2.305012      0.200284      5.588272
  H      -0.408222      2.513275      4.958101
  H      -0.321682      1.403602      6.349977
  H      -0.733661      6.026250      5.557187
  H      -0.629656      4.566057      4.567152
  H      -1.557417      4.720643      7.493463
  H      -0.030688      3.976037      6.947470
  H      -4.216644      2.502059      8.819836
  H      -3.471617      4.072332      8.472459
  H      -2.638641      1.299986      7.469012
  H      -1.672783      2.390436      8.503528
  C      -3.843160      0.978165      3.385521
  C      -4.463250     -0.289789      3.999362
  C      -5.826920     -0.640691      3.362569
  C      -5.847494     -0.506094      1.864962
  N      -6.437757      0.585470      1.371772
  C      -6.423018      0.748825      0.025171
  N      -5.888214     -0.047357     -0.882796
  C      -5.290639     -1.183320     -0.403774
  C      -4.705814     -2.094134     -1.315446
  C      -4.101326     -3.249765     -0.854390
  C      -4.062570     -3.537785      0.527725
  C      -4.625041     -2.664682      1.440767
  C      -5.246633     -1.469259      0.998575
  C      -3.248070      6.326503      5.645685
  C      -3.175240      7.604818      4.799388
  C      -4.183527      7.587375      3.647717
  C      -5.619660      7.606921      4.120386
  N      -5.878052      8.210514      5.281390
  C      -7.149290      8.167724      5.743663
  N      -8.189023      7.555351      5.201841
  C      -7.957399      6.938761      4.002459
  C      -9.017641      6.249552      3.364257
  C      -8.808942      5.618286      2.152035
  C      -7.545449      5.669912      1.525362
  C      -6.491954      6.337672      2.125179
  C      -6.664598      6.968288      3.384914
  C      -5.989170      3.118192      7.017235
  C      -6.720421      4.445924      6.779292
  C      -8.242353      4.321897      6.734702
  C      -8.836649      3.630417      5.532639
  N      -8.037267      3.059976      4.634761
  C      -8.604545      2.462645      3.552929
  N      -9.892721      2.366821      3.276246
  C     -10.744607      2.944186      4.179666
  C     -12.138757      2.896662      3.937974
  C     -13.020982      3.481266      4.828027
  C     -12.544056      4.130672      5.986927
  C     -11.186347      4.190512      6.247381
  C     -10.258849      3.601048      5.353936
  H      -3.258933      0.706857      2.483197
  H      -4.645361      1.649425      3.055270
  H      -4.633459     -0.118575      5.075013
  H      -3.769757     -1.140543      3.916782
  H      -6.121361     -1.659075      3.661064
  H      -6.586364      0.051834      3.751067
  H      -6.915987      1.656302     -0.340557
  H      -4.752449     -1.855283     -2.378906
  H      -3.653457     -3.949631     -1.562125
  H      -3.587592     -4.457340      0.873895
  H      -4.595370     -2.895831      2.506276
  H      -4.307129      6.096870      5.839121
  H      -2.798672      6.518240      6.639444
  H      -2.156836      7.721244      4.396464
  H      -3.379837      8.469866      5.445922
  H      -4.016911      8.451955      2.981112
  H      -4.005529      6.692429      3.032654
  H      -7.325021      8.691633      6.689462
  H      -9.989793      6.233013      3.858261
  H      -9.624292      5.071677      1.676042
  H      -7.399810      5.173163      0.564771
  H      -5.524708      6.383651      1.623046
  H      -6.207261      2.756445      8.038659
  H      -6.397999      2.369210      6.322179
  H      -6.448374      5.161518      7.571592
  H      -6.367340      4.869948      5.828398
  H      -8.616992      3.812759      7.642240
  H      -8.673635      5.336620      6.771873
  H      -7.903557      2.009961      2.840659
  H     -12.483736      2.391229      3.034736
  H     -14.094537      3.443799      4.634448
  H     -13.251463      4.590282      6.679017
  H     -10.827827      4.701365      7.141187
  N      -5.159939      3.900889      3.928467
  H      -6.119646      3.552956      4.084639
  H      -5.187093      4.599213      3.183842
98
Coordinates from ORCA-job orca E -6204.343362145431
  N      -2.985164      1.758693      4.296111
  Mo     -3.633372      3.443537      5.106642
  N      -4.533459      3.193361      6.834489
  C      -3.703956      3.084206      8.031243
  C      -2.406612      2.356545      7.683382
  N      -1.826018      2.924749      6.441892
  C      -1.007227      1.939289      5.690906
  C      -1.911709      0.993831      4.917799
  C      -1.072348      4.185226      6.669852
  C      -1.182636      5.033377      5.399178
  N      -2.592463      5.156834      5.032538
  H      -1.311632      0.467371      4.150152
  H      -2.312350      0.205533      5.586683
  H      -0.393228      2.506778      4.978649
  H      -0.326720      1.395396      6.370431
  H      -0.723631      6.023407      5.565212
  H      -0.620008      4.561260      4.577343
  H      -1.554432      4.720172      7.500715
  H      -0.027558      3.970928      6.960737
  H      -4.224994      2.513007      8.819678
  H      -3.478522      4.080385      8.462434
  H      -2.640219      1.302106      7.479075
  H      -1.678299      2.396557      8.513510
  C      -3.813952      0.985415      3.367049
  C      -4.473877     -0.258948      3.990148
  C      -5.838775     -0.586339      3.343665
  C      -5.843654     -0.469426      1.844398
  N      -6.410293      0.626577      1.333057
  C      -6.382542      0.772414     -0.015258
  N      -5.854778     -0.044205     -0.909374
  C      -5.280790     -1.184237     -0.411514
  C      -4.704397     -2.116115     -1.306921
  C      -4.124004     -3.276527     -0.826931
  C      -4.102195     -3.548393      0.558720
  C      -4.656983     -2.654423      1.456375
  C      -5.253381     -1.453706      0.994753
  C      -3.240097      6.326850      5.646799
  C      -3.176258      7.599004      4.790606
  C      -4.192008      7.571198      3.645579
  C      -5.625668      7.590191      4.124840
  N      -5.878189      8.190756      5.288931
  C      -7.147973      8.149739      5.755329
  N      -8.192570      7.545932      5.213282
  C      -7.967012      6.933164      4.010325
  C      -9.032991      6.254222      3.371202
  C      -8.829922      5.625084      2.156801
  C      -7.566402      5.668384      1.529647
  C      -6.507681      6.327005      2.130402
  C      -6.674852      6.956134      3.391519
  C      -5.988898      3.112822      7.005387
  C      -6.716185      4.444088      6.776227
  C      -8.238544      4.325015      6.730878
  C      -8.832304      3.636104      5.526889
  N      -8.031486      3.080100      4.620922
  C      -8.598279      2.485410      3.537515
  N      -9.886811      2.378047      3.266587
  C     -10.739738      2.940299      4.178362
  C     -12.134747      2.879667      3.944182
  C     -13.018212      3.450016      4.842407
  C     -12.541550      4.098169      6.002091
  C     -11.182990      4.170195      6.255535
  C     -10.254594      3.594695      5.354210
  H      -3.210481      0.685445      2.486958
  H      -4.594088      1.663498      3.002043
  H      -4.651008     -0.068134      5.061337
  H      -3.800330     -1.127222      3.927147
  H      -6.158367     -1.594641      3.650644
  H      -6.586959      0.126345      3.717007
  H      -6.856813      1.683564     -0.396146
  H      -4.738010     -1.889466     -2.373555
  H      -3.682682     -3.992159     -1.522880
  H      -3.646766     -4.471635      0.920898
  H      -4.640191     -2.874267      2.524600
  H      -4.297549      6.095106      5.846447
  H      -2.786988      6.526929      6.637139
  H      -2.160987      7.715251      4.380041
  H      -3.379432      8.467393      5.433156
  H      -4.031292      8.432673      2.973430
  H      -4.015016      6.673588      3.034104
  H      -7.317517      8.667068      6.705807
  H     -10.004627      6.242771      3.866358
  H      -9.649655      5.086076      1.679675
  H      -7.424777      5.173565      0.567496
  H      -5.540227      6.366942      1.628165
  H      -6.210578      2.741463      8.022526
  H      -6.395975      2.369760      6.303080
  H      -6.441688      5.152744      7.573798
  H      -6.362266      4.872671      5.827974
  H      -8.615566      3.818502      7.638510
  H      -8.666277      5.341566      6.765891
  H      -7.895987      2.047225      2.817856
  H     -12.479633      2.375963      3.039948
  H     -14.092376      3.402500      4.654613
  H     -13.249817      4.547052      6.700357
  H     -10.824775      4.680371      7.149916
  N      -5.148924      3.900517      3.926048
  H      -6.113238      3.565399      4.085282
  H      -5.170464      4.578412      3.162522
98
Coordinates from ORCA-job orca E -6204.343629363367
  N      -2.957311      1.763766      4.284153
  Mo     -3.620861      3.441858      5.099380
  N      -4.529041      3.181163      6.819047
  C      -3.705121      3.083501      8.021203
  C      -2.404252      2.357291      7.682918
  N      -1.817127      2.925094      6.444033
  C      -0.993777      1.939747      5.698172
  C      -1.895009      0.995404      4.920657
  C      -1.065112      4.185836      6.675829
  C      -1.175860      5.035694      5.406473
  N      -2.585739      5.158064      5.041058
  H      -1.290688      0.462697      4.160723
  H      -2.307527      0.212209      5.588418
  H      -0.375555      2.507165      4.989517
  H      -0.317633      1.395974      6.382080
  H      -0.717733      6.026159      5.572087
  H      -0.614064      4.563789      4.583913
  H      -1.548328      4.718616      7.507397
  H      -0.020651      3.971224      6.967409
  H      -4.229339      2.517443      8.811017
  H      -3.484724      4.083786      8.445101
  H      -2.635441      1.302297      7.478697
  H      -1.680744      2.400025      8.517023
  C      -3.778444      0.986769      3.351891
  C      -4.478736     -0.231376      3.985688
  C      -5.845760     -0.532225      3.330923
  C      -5.836955     -0.436287      1.830185
  N      -6.377221      0.664141      1.299373
  C      -6.337988      0.789458     -0.050546
  N      -5.821280     -0.050641     -0.929390
  C      -5.274159     -1.194997     -0.411442
  C      -4.710674     -2.151205     -1.288947
  C      -4.158046     -3.316626     -0.788322
  C      -4.152432     -3.569280      0.600918
  C      -4.695011     -2.651160      1.481635
  C      -5.262368     -1.444779      0.998871
  C      -3.236507      6.325713      5.656456
  C      -3.184984      7.595365      4.795837
  C      -4.206700      7.558242      3.656897
  C      -5.638379      7.576482      4.141401
  N      -5.886125      8.167861      5.311583
  C      -7.155495      8.129617      5.778758
  N      -8.204932      7.539186      5.231078
  C      -7.984232      6.935391      4.022478
  C      -9.055710      6.271393      3.377095
  C      -8.857164      5.651445      2.157072
  C      -7.593147      5.689805      1.530851
  C      -6.529200      6.334039      2.138046
  C      -6.691553      6.953906      3.404325
  C      -5.985182      3.101630      6.984997
  C      -6.708170      4.436740      6.765073
  C      -8.230845      4.322670      6.719255
  C      -8.824919      3.640434      5.511284
  N      -8.023773      3.104208      4.593327
  C      -8.592143      2.517751      3.506386
  N      -9.881284      2.398857      3.243105
  C     -10.734064      2.941038      4.166919
  C     -12.130011      2.868716      3.941739
  C     -13.012925      3.420700      4.852128
  C     -12.534880      4.061725      6.015116
  C     -11.175281      4.144288      6.260265
  C     -10.247626      3.587043      5.346810
  H      -3.157058      0.655806      2.495824
  H      -4.537336      1.669588      2.951128
  H      -4.659836     -0.019653      5.052206
  H      -3.828033     -1.117992      3.941502
  H      -6.193560     -1.527964      3.648441
  H      -6.578759      0.203676      3.688504
  H      -6.791780      1.704025     -0.447992
  H      -4.731798     -1.939182     -2.358895
  H      -3.726603     -4.050649     -1.471196
  H      -3.719576     -4.496513      0.980232
  H      -4.690867     -2.856940      2.552794
  H      -4.291362      6.089147      5.863564
  H      -2.777284      6.530064      6.642890
  H      -2.172800      7.716269      4.379278
  H      -3.389920      8.464506      5.436918
  H      -4.051513      8.416567      2.979274
  H      -4.030989      6.657965      3.048790
  H      -7.321338      8.638494      6.734570
  H     -10.027525      6.263271      3.871967
  H      -9.681206      5.123706      1.674804
  H      -7.455218      5.203970      0.563545
  H      -5.561422      6.371372      1.636184
  H      -6.211045      2.720001      7.997290
  H      -6.390099      2.365947      6.273625
  H      -6.430636      5.138738      7.567483
  H      -6.352970      4.869888      5.819558
  H      -8.609242      3.815289      7.625515
  H      -8.655714      5.340556      6.756068
  H      -7.890505      2.095204      2.777098
  H     -12.476181      2.371427      3.034436
  H     -14.087849      3.364327      4.671267
  H     -13.242783      4.496646      6.722528
  H     -10.815688      4.649349      7.156992
  N      -5.132310      3.896351      3.912649
  H      -6.100087      3.570033      4.069574
  H      -5.146637      4.561634      3.137621
98
Coordinates from ORCA-job orca E -6204.343884086421
  N      -2.925097      1.772687      4.275172
  Mo     -3.605064      3.440783      5.099809
  N      -4.525331      3.167744      6.809908
  C      -3.708608      3.082309      8.018690
  C      -2.402517      2.360575      7.692354
  N      -1.808599      2.926497      6.455117
  C      -0.979712      1.939477      5.716698
  C      -1.875199      0.999529      4.926726
  C      -1.058841      4.188505      6.689946
  C      -1.165452      5.038059      5.419940
  N      -2.574298      5.159131      5.049859
  H      -1.264051      0.464068      4.174311
  H      -2.300848      0.218909      5.589237
  H      -0.351001      2.506292      5.016943
  H      -0.314349      1.392233      6.408221
  H      -0.709507      6.029354      5.586576
  H      -0.600494      4.566650      4.599225
  H      -1.545892      4.720850      7.519543
  H      -0.015640      3.974055      6.986040
  H      -4.235698      2.519232      8.808680
  H      -3.496168      4.086752      8.436527
  H      -2.628157      1.303937      7.490754
  H      -1.684481      2.409836      8.530772
  C      -3.737305      0.995608      3.336687
  C      -4.481531     -0.195602      3.975252
  C      -5.850670     -0.462345      3.311085
  C      -5.827602     -0.387980      1.809349
  N      -6.336071      0.717942      1.258761
  C      -6.284866      0.821634     -0.092517
  N      -5.784322     -0.044447     -0.955413
  C      -5.270261     -1.194725     -0.416994
  C      -4.726632     -2.178553     -1.276177
  C      -4.208287     -3.350504     -0.754526
  C      -4.218225     -3.581985      0.638368
  C      -4.741690     -2.636529      1.501544
  C      -5.274031     -1.423106      0.997050
  C      -3.229533      6.327940      5.658220
  C      -3.190077      7.589909      4.785803
  C      -4.219327      7.538775      3.654856
  C      -5.648192      7.559775      4.147093
  N      -5.888302      8.145866      5.321375
  C      -7.156392      8.112720      5.792482
  N      -8.211144      7.531934      5.244839
  C      -7.997849      6.931776      4.033333
  C      -9.075118      6.275255      3.389531
  C      -8.883220      5.656535      2.168137
  C      -7.620365      5.688730      1.538788
  C      -6.551633      6.326545      2.143685
  C      -6.706915      6.945071      3.411330
  C      -5.982556      3.089750      6.968726
  C      -6.703422      4.427651      6.756863
  C      -8.225978      4.315272      6.710147
  C      -8.819907      3.636257      5.500053
  N      -8.018473      3.113196      4.574466
  C      -8.587997      2.531616      3.485552
  N      -9.877310      2.404897      3.226909
  C     -10.730027      2.933481      4.158693
  C     -12.126497      2.852479      3.939755
  C     -13.008927      3.391720      4.858278
  C     -12.530314      4.028636      6.023290
  C     -11.170120      4.119276      6.262653
  C     -10.242934      3.574277      5.341101
  H      -3.098354      0.633304      2.506532
  H      -4.470720      1.683969      2.901245
  H      -4.666260      0.033760      5.037592
  H      -3.857549     -1.101854      3.947187
  H      -6.231846     -1.442711      3.638357
  H      -6.563719      0.300317      3.652788
  H      -6.712128      1.741424     -0.506938
  H      -4.735482     -1.982317     -2.349333
  H      -3.792273     -4.105790     -1.423652
  H      -3.812731     -4.514448      1.034709
  H      -4.749828     -2.826132      2.575663
  H      -4.281661      6.086646      5.873996
  H      -2.765365      6.543770      6.639834
  H      -2.181499      7.711001      4.360541
  H      -3.393628      8.464446      5.420075
  H      -4.071210      8.390969      2.967664
  H      -4.046471      6.633389      3.053294
  H      -7.316112      8.615488      6.752479
  H     -10.045234      6.270392      3.887908
  H      -9.711373      5.133565      1.687679
  H      -7.486905      5.202831      0.571057
  H      -5.584798      6.358352      1.639611
  H      -6.213423      2.698648      7.976195
  H      -6.384355      2.361504      6.247780
  H      -6.424633      5.124642      7.563262
  H      -6.346902      4.865211      5.813840
  H      -8.604989      3.807331      7.615626
  H      -8.650383      5.333397      6.747793
  H      -7.886778      2.123371      2.747744
  H     -12.473421      2.359173      3.030547
  H     -14.084298      3.328552      4.682245
  H     -13.238128      4.453991      6.736623
  H     -10.809472      4.621278      7.160602
  N      -5.112289      3.893038      3.904428
  H      -6.083518      3.573714      4.055285
  H      -5.116708      4.549333      3.121730
98
Coordinates from ORCA-job orca E -6204.344146987112
  N      -2.886986      1.788243      4.261507
  Mo     -3.586125      3.444734      5.095263
  N      -4.516542      3.151708      6.795741
  C      -3.705860      3.075580      8.009467
  C      -2.393155      2.363216      7.691405
  N      -1.792771      2.933469      6.459282
  C      -0.957669      1.950695      5.723141
  C      -1.848204      1.011673      4.926514
  C      -1.049326      4.197699      6.700234
  C      -1.157228      5.050902      5.432841
  N      -2.565998      5.169195      5.062122
  H      -1.232073      0.471452      4.181728
  H      -2.284344      0.235128      5.587225
  H      -0.326707      2.520545      5.027877
  H      -0.294969      1.402452      6.416488
  H      -0.704516      6.043214      5.602463
  H      -0.590499      4.583414      4.611121
  H      -1.538718      4.724861      7.531741
  H      -0.005448      3.986347      6.996384
  H      -4.233128      2.510101      8.797670
  H      -3.504081      4.082982      8.425443
  H      -2.610801      1.305288      7.487704
  H      -1.681449      2.416326      8.535023
  C      -3.691871      1.010516      3.318630
  C      -4.477427     -0.151697      3.964571
  C      -5.851927     -0.380183      3.298059
  C      -5.821082     -0.336409      1.795356
  N      -6.291745      0.773716      1.220184
  C      -6.232848      0.847302     -0.132824
  N      -5.758025     -0.052258     -0.975585
  C      -5.283465     -1.207286     -0.411741
  C      -4.770143     -2.226297     -1.248196
  C      -4.292664     -3.403542     -0.700228
  C      -4.314379     -3.605194      0.697198
  C      -4.808441     -2.624980      1.538436
  C      -5.298933     -1.405436      1.006700
  C      -3.225847      6.334093      5.672984
  C      -3.200073      7.594756      4.798138
  C      -4.232342      7.532004      3.671405
  C      -5.660267      7.547569      4.166859
  N      -5.899547      8.119778      5.347992
  C      -7.167919      8.084359      5.817957
  N      -8.223317      7.511531      5.263126
  C      -8.010563      6.923433      4.046017
  C      -9.088381      6.273961      3.395489
  C      -8.896711      5.667682      2.168063
  C      -7.633594      5.705251      1.539299
  C      -6.564573      6.336030      2.150534
  C      -6.719449      6.942139      3.424111
  C      -5.973942      3.068513      6.946072
  C      -6.696615      4.407171      6.744608
  C      -8.218519      4.291891      6.695076
  C      -8.810832      3.622543      5.478861
  N      -8.008789      3.118545      4.543097
  C      -8.579011      2.550012      3.447962
  N      -9.868244      2.416763      3.192419
  C     -10.721480      2.925271      4.134849
  C     -12.118096      2.837670      3.920005
  C     -13.000444      3.358365      4.849287
  C     -12.522028      3.982478      6.021173
  C     -11.161547      4.078892      6.256929
  C     -10.234252      3.552659      5.324364
  H      -3.039569      0.616675      2.513708
  H      -4.400725      1.703616      2.850710
  H      -4.659190      0.095136      5.023599
  H      -3.883560     -1.078168      3.949170
  H      -6.270100     -1.339809      3.641579
  H      -6.537510      0.414575      3.623119
  H      -6.628518      1.771470     -0.568361
  H      -4.769362     -2.052539     -2.325269
  H      -3.899933     -4.186210     -1.351716
  H      -3.941297     -4.542203      1.114127
  H      -4.826264     -2.790771      2.616329
  H      -4.274753      6.085620      5.896311
  H      -2.755969      6.553883      6.650836
  H      -2.193896      7.722462      4.369024
  H      -3.407762      8.470042      5.430049
  H      -4.092232      8.380204      2.977482
  H      -4.057560      6.623941      3.074191
  H      -7.328362      8.577367      6.782957
  H     -10.058317      6.264201      3.894239
  H      -9.725157      5.149801      1.682643
  H      -7.500249      5.228551      0.567021
  H      -5.597796      6.372038      1.646631
  H      -6.209506      2.665227      7.947628
  H      -6.369656      2.349183      6.212887
  H      -6.419874      5.098806      7.556315
  H      -6.338377      4.852417      5.805724
  H      -8.597083      3.775914      7.596168
  H      -8.645725      5.308559      6.740645
  H      -7.878539      2.157471      2.701278
  H     -12.465105      2.354847      3.005224
  H     -14.076053      3.290345      4.676313
  H     -13.230109      4.393355      6.742678
  H     -10.800366      4.570947      7.160084
  N      -5.093621      3.893714      3.895539
  H      -6.065749      3.577316      4.043190
  H      -5.089696      4.550950      3.113795
98
Coordinates from ORCA-job orca E -6204.344415463835
  N      -2.835671      1.807187      4.249909
  Mo     -3.559568      3.448754      5.091286
  N      -4.505576      3.130661      6.779652
  C      -3.704655      3.064806      8.000508
  C      -2.381408      2.368156      7.694888
  N      -1.773486      2.944359      6.469221
  C      -0.927453      1.967279      5.738645
  C      -1.807032      1.029167      4.928395
  C      -1.040912      4.213315      6.717539
  C      -1.146673      5.069155      5.451830
  N      -2.554358      5.182259      5.073725
  H      -1.181498      0.489131      4.191516
  H      -2.252333      0.252786      5.583357
  H      -0.290227      2.541247      5.052576
  H      -0.271458      1.417087      6.436768
  H      -0.700075      6.063328      5.627133
  H      -0.572778      4.607285      4.631926
  H      -1.537413      4.734833      7.548399
  H       0.003164      4.008737      7.018070
  H      -4.231424      2.492384      8.784278
  H      -3.519345      4.074903      8.417767
  H      -2.584845      1.307715      7.489480
  H      -1.678966      2.428957      8.545841
  C      -3.632631      1.030015      3.301756
  C      -4.459079     -0.102220      3.952872
  C      -5.842082     -0.283964      3.290784
  C      -5.811444     -0.273112      1.787589
  N      -6.239072      0.841172      1.187893
  C      -6.179524      0.881459     -0.166747
  N      -5.743576     -0.055461     -0.989148
  C      -5.314950     -1.215701     -0.399872
  C      -4.847302     -2.274225     -1.213897
  C      -4.417494     -3.457118     -0.639747
  C      -4.442629     -3.625061      0.762311
  C      -4.892330     -2.606063      1.581619
  C      -5.334052     -1.379870      1.022613
  C      -3.221862      6.342964      5.683877
  C      -3.208962      7.601852      4.806385
  C      -4.243890      7.527686      3.683722
  C      -5.670694      7.538093      4.183091
  N      -5.908377      8.095846      5.370773
  C      -7.176693      8.057305      5.841143
  N      -8.232590      7.491796      5.280110
  C      -8.021029      6.916306      4.057438
  C      -9.099608      6.273295      3.400935
  C      -8.908939      5.679660      2.167709
  C      -7.645747      5.722943      1.538703
  C      -6.576482      6.347528      2.154948
  C      -6.730702      6.941471      3.434085
  C      -5.963168      3.038091      6.917055
  C      -6.693083      4.375769      6.732776
  C      -8.213715      4.251133      6.680397
  C      -8.803003      3.597381      5.454546
  N      -7.999216      3.114014      4.509497
  C      -8.568266      2.563609      3.404726
  N      -9.856877      2.426854      3.148391
  C     -10.711943      2.911863      4.101684
  C     -12.108217      2.818445      3.887699
  C     -12.992069      3.316126      4.827998
  C     -12.515970      3.922110      6.010258
  C     -11.155767      4.023858      6.245318
  C     -10.226646      3.520943      5.301478
  H      -2.969468      0.604933      2.522259
  H      -4.315842      1.727882      2.803496
  H      -4.632046      0.157605      5.010404
  H      -3.899654     -1.049872      3.943914
  H      -6.300488     -1.218018      3.653232
  H      -6.491291      0.546361      3.602321
  H      -6.538072      1.810529     -0.623421
  H      -4.843117     -2.125722     -2.294742
  H      -4.059988     -4.270871     -1.273183
  H      -4.107233     -4.567268      1.199078
  H      -4.913811     -2.744273      2.663225
  H      -4.267543      6.085791      5.912915
  H      -2.749191      6.569085      6.658920
  H      -2.204869      7.735393      4.373828
  H      -3.420114      8.478312      5.435518
  H      -4.112368      8.371385      2.982571
  H      -4.067104      6.616864      3.090882
  H      -7.336994      8.540583      6.810985
  H     -10.068885      6.258040      3.900966
  H      -9.737703      5.166261      1.678136
  H      -7.512945      5.254050      0.562666
  H      -5.609989      6.387199      1.650794
  H      -6.203926      2.617609      7.910385
  H      -6.349881      2.330698      6.167566
  H      -6.421483      5.059297      7.553126
  H      -6.334768      4.835096      5.800534
  H      -8.589121      3.718392      7.573182
  H      -8.648566      5.263683      6.742640
  H      -7.867084      2.190793      2.648780
  H     -12.453537      2.349916      2.964880
  H     -14.067539      3.243690      4.655712
  H     -13.225614      4.314741      6.740351
  H     -10.795758      4.501363      7.156658
  N      -5.063650      3.892243      3.880057
  H      -6.035444      3.571774      4.013021
  H      -5.044718      4.555936      3.104328
98
Coordinates from ORCA-job orca E -6204.344604685585
  N      -2.788352      1.826442      4.234918
  Mo     -3.535552      3.452948      5.085734
  N      -4.492318      3.109836      6.763840
  C      -3.699636      3.055063      7.990231
  C      -2.366282      2.373654      7.694659
  N      -1.754798      2.956225      6.473713
  C      -0.898782      1.986150      5.745974
  C      -1.767822      1.047977      4.925278
  C      -1.031899      4.229364      6.727494
  C      -1.138084      5.087738      5.463585
  N      -2.545392      5.195489      5.081830
  H      -1.133363      0.508386      4.195802
  H      -2.220315      0.270997      5.574853
  H      -0.259450      2.565216      5.066056
  H      -0.245154      1.435693      6.446142
  H      -0.696336      6.083325      5.643403
  H      -0.559309      4.630584      4.644471
  H      -1.534208      4.745664      7.558208
  H       0.012833      4.031709      7.030633
  H      -4.224679      2.476515      8.770883
  H      -3.528945      4.067583      8.408025
  H      -2.555811      1.310848      7.487936
  H      -1.671447      2.441871      8.551268
  C      -3.577778      1.045878      3.283578
  C      -4.433748     -0.062146      3.941057
  C      -5.826684     -0.205213      3.290675
  C      -5.805311     -0.227004      1.787536
  N      -6.199198      0.887128      1.165341
  C      -6.147174      0.895205     -0.190492
  N      -5.748901     -0.073935     -0.994030
  C      -5.355887     -1.234567     -0.381362
  C      -4.931086     -2.326377     -1.174802
  C      -4.538158     -3.510179     -0.577074
  C      -4.558960     -3.646098      0.828721
  C      -4.967188     -2.594446      1.627931
  C      -5.370400     -1.366285      1.044398
  C      -3.219464      6.348413      5.698870
  C      -3.222061      7.610369      4.825941
  C      -4.260420      7.528878      3.707284
  C      -5.685805      7.530422      4.211164
  N      -5.922025      8.074542      5.404901
  C      -7.190454      8.033174      5.875614
  N      -8.247703      7.477627      5.307780
  C      -8.037665      6.916117      4.078436
  C      -9.118908      6.287201      3.412667
  C      -8.929822      5.707532      2.172827
  C      -7.664882      5.749674      1.546806
  C      -6.593186      6.361039      2.171682
  C      -6.747047      6.942952      3.456186
  C      -5.949721      3.007779      6.889001
  C      -6.684819      4.344309      6.716373
  C      -8.204588      4.214037      6.660086
  C      -8.789125      3.576345      5.423965
  N      -7.981492      3.113358      4.472268
  C      -8.546044      2.580493      3.356651
  N      -9.833385      2.441596      3.095558
  C     -10.692420      2.903785      4.056620
  C     -12.087758      2.805409      3.838876
  C     -12.975897      3.280511      4.786713
  C     -12.505022      3.868052      5.980343
  C     -11.145837      3.974388      6.219036
  C     -10.212277      3.494505      5.267683
  H      -2.907379      0.595595      2.525226
  H      -4.240156      1.745026      2.759683
  H      -4.592844      0.204721      4.999011
  H      -3.903296     -1.026208      3.931698
  H      -6.316660     -1.114449      3.674411
  H      -6.441359      0.654543      3.590874
  H      -6.476465      1.825516     -0.666031
  H      -4.929799     -2.202135     -2.258717
  H      -4.213492     -4.349960     -1.193986
  H      -4.253079     -4.589765      1.283581
  H      -4.986236     -2.707140      2.712482
  H      -4.261612      6.081590      5.933405
  H      -2.743161      6.575727      6.671856
  H      -2.220661      7.753991      4.390277
  H      -3.438533      8.483048      5.458490
  H      -4.137581      8.371046      3.002812
  H      -4.080036      6.617984      3.115345
  H      -7.348737      8.504195      6.851748
  H     -10.088966      6.271734      3.911148
  H      -9.760727      5.205191      1.675551
  H      -7.533585      5.290218      0.565961
  H      -5.625450      6.399979      1.669897
  H      -6.196223      2.573442      7.875133
  H      -6.327146      2.309178      6.127030
  H      -6.417425      5.021252      7.543493
  H      -6.325911      4.813434      5.789060
  H      -8.579484      3.666670      7.544295
  H      -8.644303      5.223571      6.736848
  H      -7.841505      2.226787      2.594689
  H     -12.428836      2.351225      2.907367
  H     -14.050670      3.204496      4.611600
  H     -13.218069      4.242831      6.716505
  H     -10.790038      4.437287      7.139548
  N      -5.039580      3.889205      3.868862
  H      -6.011761      3.571190      3.997057
  H      -5.009301      4.555004      3.095512
98
Coordinates from ORCA-job orca E -6204.344751371581
  N      -2.747529      1.842005      4.216618
  Mo     -3.517333      3.455495      5.074652
  N      -4.486044      3.092998      6.743316
  C      -3.703702      3.050284      7.976167
  C      -2.361554      2.379980      7.693844
  N      -1.745529      2.965109      6.476576
  C      -0.880331      1.998837      5.754728
  C      -1.738908      1.061626      4.923178
  C      -1.028951      4.240652      6.735071
  C      -1.130703      5.099126      5.471141
  N      -2.536488      5.203616      5.082503
  H      -1.094574      0.519905      4.204031
  H      -2.202648      0.285749      5.566290
  H      -0.236112      2.580381      5.081440
  H      -0.231636      1.448352      6.459369
  H      -0.691770      6.095374      5.654239
  H      -0.546660      4.643361      4.655009
  H      -1.538858      4.755019      7.562491
  H       0.014665      4.047686      7.044914
  H      -4.229803      2.469014      8.754246
  H      -3.545100      4.065243      8.392905
  H      -2.539512      1.314889      7.488249
  H      -1.674904      2.456279      8.556209
  C      -3.528373      1.054880      3.262046
  C      -4.406075     -0.034598      3.924830
  C      -5.808174     -0.149882      3.288553
  C      -5.799664     -0.200700      1.786244
  N      -6.175350      0.908762      1.145061
  C      -6.132865      0.889697     -0.211248
  N      -5.760428     -0.102606     -0.998506
  C      -5.387378     -1.259003     -0.365995
  C      -4.991345     -2.374264     -1.141717
  C      -4.619570     -3.554684     -0.524512
  C      -4.634009     -3.664071      0.883771
  C      -5.014096     -2.589202      1.665754
  C      -5.394452     -1.363526      1.061977
  C      -3.216428      6.349465      5.706354
  C      -3.227997      7.616184      4.840432
  C      -4.270527      7.534349      3.725938
  C      -5.693752      7.529840      4.235368
  N      -5.925508      8.061576      5.435291
  C      -7.192683      8.016299      5.909900
  N      -8.253454      7.472518      5.337846
  C      -8.047875      6.924341      4.101299
  C      -9.133417      6.309881      3.429710
  C      -8.948407      5.741206      2.184200
  C      -7.682518      5.777869      1.559791
  C      -6.606829      6.376729      2.189907
  C      -6.758062      6.950380      3.478232
  C      -5.943607      2.985903      6.858369
  C      -6.682367      4.322989      6.704760
  C      -8.201887      4.188547      6.646718
  C      -8.783656      3.570871      5.399472
  N      -7.973253      3.130968      4.439459
  C      -8.533558      2.613257      3.314479
  N      -9.819863      2.468434      3.051616
  C     -10.681800      2.906440      4.021347
  C     -12.076368      2.799218      3.802671
  C     -12.968322      3.248669      4.759437
  C     -12.501594      3.818398      5.963347
  C     -11.143279      3.933036      6.202966
  C     -10.206007      3.479805      5.242495
  H      -2.849472      0.583073      2.525129
  H      -4.170876      1.753913      2.713003
  H      -4.550452      0.233506      4.984521
  H      -3.897462     -1.010223      3.910245
  H      -6.319631     -1.038010      3.693128
  H      -6.395734      0.731305      3.578256
  H      -6.446224      1.817200     -0.702455
  H      -4.995102     -2.270299     -2.227752
  H      -4.317162     -4.412762     -1.127406
  H      -4.345513     -4.605682      1.353978
  H      -5.028690     -2.681608      2.752284
  H      -4.256801      6.076122      5.942011
  H      -2.739893      6.574541      6.679688
  H      -2.228797      7.766195      4.401937
  H      -3.446129      8.483945      5.479066
  H      -4.153756      8.377436      3.021660
  H      -4.088868      6.624961      3.132010
  H      -7.345929      8.475460      6.892369
  H     -10.103419      6.296151      3.928305
  H      -9.782644      5.250143      1.681348
  H      -7.554029      5.324025      0.576002
  H      -5.638142      6.411475      1.689773
  H      -6.194569      2.534637      7.835928
  H      -6.315211      2.298096      6.084148
  H      -6.417446      4.988285      7.541994
  H      -6.324582      4.806270      5.784443
  H      -8.574611      3.623494      7.520658
  H      -8.645780      5.194719      6.742675
  H      -7.825694      2.276427      2.547660
  H     -12.413937      2.358522      2.863452
  H     -14.042470      3.165942      4.583696
  H     -13.217356      4.172687      6.706979
  H     -10.791462      4.381955      7.131972
  N      -5.017932      3.884723      3.850495
  H      -5.992520      3.573319      3.975879
  H      -4.976393      4.540868      3.069534
98
Coordinates from ORCA-job orca E -6204.343770742202
  N      -2.716036      1.856609      4.198049
  Mo     -3.498939      3.464540      5.072719
  N      -4.483298      3.086571      6.728603
  C      -3.714129      3.059854      7.973112
  C      -2.366197      2.391078      7.705751
  N      -1.741087      2.974606      6.491007
  C      -0.868602      2.007034      5.773701
  C      -1.721077      1.077080      4.937717
  C      -1.023791      4.249261      6.758249
  C      -1.120609      5.107590      5.495170
  N      -2.525014      5.210722      5.093008
  H      -1.069587      0.526614      4.237725
  H      -2.200556      0.316332      5.579869
  H      -0.222482      2.589296      5.105275
  H      -0.222607      1.455713      6.479499
  H      -0.682951      6.102497      5.678937
  H      -0.532040      4.649897      4.684227
  H      -1.541719      4.762559      7.581554
  H       0.016655      4.054951      7.077786
  H      -4.248894      2.484181      8.751785
  H      -3.565515      4.080570      8.382331
  H      -2.540360      1.325813      7.501140
  H      -1.688208      2.471270      8.574306
  C      -3.478278      1.065750      3.232483
  C      -4.392324      0.003960      3.899389
  C      -5.798894     -0.084146      3.258412
  C      -5.787714     -0.167412      1.753969
  N      -6.130357      0.945129      1.086836
  C      -6.087515      0.902899     -0.270285
  N      -5.744833     -0.116144     -1.038203
  C      -5.407860     -1.276248     -0.379890
  C      -5.046646     -2.420276     -1.133679
  C      -4.712758     -3.605818     -0.491892
  C      -4.731706     -3.693112      0.920233
  C      -5.078077     -2.589638      1.681263
  C      -5.418529     -1.358305      1.052427
  C      -3.212038      6.356628      5.715599
  C      -3.227385      7.614669      4.838575
  C      -4.277037      7.512183      3.736248
  C      -5.699695      7.519426      4.256741
  N      -5.920748      8.055522      5.462081
  C      -7.188710      8.023866      5.942775
  N      -8.262201      7.493617      5.374651
  C      -8.067928      6.938524      4.133368
  C      -9.166684      6.337425      3.466449
  C      -8.992661      5.759633      2.219120
  C      -7.726604      5.771830      1.591055
  C      -6.636431      6.357228      2.217699
  C      -6.776708      6.944217      3.505657
  C      -5.941712      2.986803      6.843061
  C      -6.670881      4.326614      6.688245
  C      -8.191005      4.194188      6.625822
  C      -8.764026      3.572423      5.375655
  N      -7.947290      3.150140      4.411196
  C      -8.501392      2.625039      3.286313
  N      -9.787105      2.460387      3.026001
  C     -10.655185      2.882688      3.997589
  C     -12.049779      2.754240      3.781363
  C     -12.947044      3.186821      4.741279
  C     -12.485562      3.760507      5.946350
  C     -11.128353      3.895441      6.183593
  C     -10.185284      3.459866      5.219831
  H      -2.774455      0.563642      2.527075
  H      -4.099327      1.762713      2.643098
  H      -4.537150      0.285790      4.952979
  H      -3.905688     -0.982715      3.896447
  H      -6.342496     -0.954678      3.685305
  H      -6.365800      0.828876      3.523441
  H      -6.370820      1.835029     -0.779428
  H      -5.046805     -2.333373     -2.223444
  H      -4.437893     -4.484481     -1.079541
  H      -4.474270     -4.638512      1.412306
  H      -5.095791     -2.666488      2.771118
  H      -4.252835      6.085074      5.954742
  H      -2.734549      6.582079      6.687129
  H      -2.229470      7.757052      4.390945
  H      -3.441350      8.490567      5.466325
  H      -4.162707      8.341027      3.014433
  H      -4.104508      6.590746      3.156362
  H      -7.335592      8.485777      6.927117
  H     -10.137177      6.341490      3.969556
  H      -9.838337      5.281719      1.717940
  H      -7.605511      5.313362      0.606463
  H      -5.667425      6.373025      1.715722
  H      -6.196512      2.533359      7.817559
  H      -6.313232      2.302593      6.068189
  H      -6.408164      4.992061      7.527264
  H      -6.305270      4.806289      5.768318
  H      -8.567935      3.630414      7.500603
  H      -8.636131      5.201622      6.715452
  H      -7.789685      2.297495      2.517641
  H     -12.383255      2.310520      2.841653
  H     -14.020762      3.088043      4.567920
  H     -13.205507      4.101045      6.692494
  H     -10.781914      4.347461      7.113809
  N      -4.979561      3.888261      3.860203
  H      -5.954768      3.580968      3.975345
  H      -4.918827      4.530712      3.080026
98
Coordinates from ORCA-job orca E -6204.343103095097
  N      -2.656505      1.865375      4.195555
  Mo     -3.480405      3.451761      5.067807
  N      -4.476651      3.053478      6.711495
  C      -3.724235      3.057765      7.967183
  C      -2.358863      2.412836      7.725991
  N      -1.731346      2.993297      6.511535
  C      -0.843130      2.029147      5.812391
  C      -1.674537      1.096649      4.963083
  C      -1.030716      4.276868      6.775485
  C      -1.122466      5.122379      5.500429
  N      -2.523684      5.209875      5.081173
  H      -1.012174      0.544211      4.279575
  H      -2.163173      0.343979      5.600068
  H      -0.188676      2.608679      5.155875
  H      -0.210863      1.482477      6.528699
  H      -0.694852      6.120394      5.678963
  H      -0.521891      4.660259      4.700341
  H      -1.565754      4.793615      7.587485
  H       0.007859      4.098591      7.110527
  H      -4.257170      2.481660      8.745732
  H      -3.600854      4.085600      8.366278
  H      -2.511296      1.342654      7.533422
  H      -1.695223      2.517277      8.603220
  C      -3.400064      1.056009      3.220314
  C      -4.346948      0.018026      3.881693
  C      -5.763703     -0.020843      3.254588
  C      -5.761490     -0.118420      1.754811
  N      -6.055588      1.005872      1.085597
  C      -6.011668      0.953694     -0.265713
  N      -5.711045     -0.085071     -1.025674
  C      -5.426661     -1.256521     -0.364685
  C      -5.112560     -2.421041     -1.110316
  C      -4.833465     -3.618477     -0.467797
  C      -4.862198     -3.696895      0.938277
  C      -5.161930     -2.572971      1.692340
  C      -5.444568     -1.329319      1.061993
  C      -3.228708      6.347052      5.700007
  C      -3.254875      7.608265      4.824963
  C      -4.305755      7.498860      3.733236
  C      -5.718099      7.492742      4.254595
  N      -5.940687      8.015302      5.457493
  C      -7.200953      7.973364      5.936621
  N      -8.266936      7.446456      5.368446
  C      -8.072014      6.909653      4.127777
  C      -9.164612      6.323629      3.456682
  C      -8.991247      5.770974      2.207190
  C      -7.731425      5.788274      1.583859
  C      -6.645473      6.354931      2.216566
  C      -6.786985      6.924897      3.503534
  C      -5.935173      2.951028      6.811103
  C      -6.657160      4.290134      6.680062
  C      -8.177979      4.164147      6.622862
  C      -8.755258      3.561113      5.368838
  N      -7.939467      3.151396      4.397436
  C      -8.495233      2.635421      3.270929
  N      -9.782809      2.471671      3.011865
  C     -10.650181      2.884042      3.990433
  C     -12.047375      2.755775      3.778649
  C     -12.945213      3.179378      4.745168
  C     -12.481147      3.741895      5.953295
  C     -11.120995      3.875443      6.187042
  C     -10.177613      3.449732      5.216296
  H      -2.675029      0.531617      2.547846
  H      -4.002653      1.740481      2.594575
  H      -4.477544      0.295069      4.932907
  H      -3.892995     -0.980654      3.867807
  H      -6.344911     -0.864972      3.691866
  H      -6.292106      0.921491      3.512403
  H      -6.252201      1.895333     -0.776570
  H      -5.104631     -2.340234     -2.195913
  H      -4.594738     -4.513351     -1.049649
  H      -4.649314     -4.651489      1.431595
  H      -5.186910     -2.643777      2.777872
  H      -4.266197      6.064938      5.932073
  H      -2.762449      6.573811      6.673880
  H      -2.264853      7.759264      4.371710
  H      -3.468862      8.479237      5.452951
  H      -4.202895      8.327764      3.009402
  H      -4.128029      6.580287      3.159205
  H      -7.351581      8.426253      6.916186
  H     -10.130319      6.321520      3.957860
  H      -9.831479      5.307353      1.699719
  H      -7.610588      5.348492      0.598460
  H      -5.681045      6.373643      1.716757
  H      -6.199475      2.477155      7.769473
  H      -6.301563      2.287679      6.021293
  H      -6.384323      4.941230      7.523674
  H      -6.292142      4.778006      5.768373
  H      -8.555298      3.591797      7.488515
  H      -8.614811      5.170046      6.726799
  H      -7.784517      2.323690      2.493638
  H     -12.383219      2.320096      2.836685
  H     -14.021018      3.081767      4.574902
  H     -13.201346      4.075497      6.704502
  H     -10.773177      4.319377      7.120247
  N      -4.977266      3.847814      3.858805
  H      -5.955762      3.546779      3.977624
  H      -4.906355      4.478310      3.051307
98
Coordinates from ORCA-job orca E -6204.343242371503
  N      -2.606531      1.868557      4.203853
  Mo     -3.460267      3.439690      5.065161
  N      -4.461234      3.022192      6.700481
  C      -3.718780      3.042813      7.959113
  C      -2.341372      2.424327      7.733592
  N      -1.714515      3.005441      6.521457
  C      -0.810214      2.050951      5.836673
  C      -1.620102      1.107834      4.969239
  C      -1.032455      4.298937      6.775596
  C      -1.123218      5.131456      5.490953
  N      -2.523765      5.212230      5.071570
  H      -0.940529      0.567015      4.282218
  H      -2.102268      0.339004      5.600299
  H      -0.147211      2.637318      5.192139
  H      -0.187899      1.507821      6.564557
  H      -0.703114      6.132569      5.665844
  H      -0.518310      4.669328      4.694044
  H      -1.576275      4.817969      7.581675
  H       0.008241      4.135865      7.116518
  H      -4.245264      2.459612      8.733488
  H      -3.614861      4.071077      8.356322
  H      -2.467243      1.348855      7.549460
  H      -1.686207      2.551294      8.613788
  C      -3.345660      1.049834      3.231461
  C      -4.284780      0.007039      3.877322
  C      -5.710224     -0.005867      3.282621
  C      -5.745368     -0.102183      1.788709
  N      -6.028182      1.015617      1.127515
  C      -6.014416      0.956358     -0.220190
  N      -5.753768     -0.083643     -0.980670
  C      -5.481157     -1.248971     -0.327083
  C      -5.210716     -2.412435     -1.075581
  C      -4.946132     -3.601802     -0.439289
  C      -4.948183     -3.671431      0.961993
  C      -5.205637     -2.548703      1.718247
  C      -5.470980     -1.313301      1.094028
  C      -3.232253      6.340489      5.698327
  C      -3.259429      7.609527      4.832003
  C      -4.313081      7.510111      3.736613
  C      -5.727923      7.506788      4.259800
  N      -5.946844      8.036283      5.462273
  C      -7.209635      7.993784      5.949802
  N      -8.278612      7.463238      5.385022
  C      -8.087999      6.923110      4.143909
  C      -9.188454      6.338500      3.475114
  C      -9.022695      5.787821      2.222723
  C      -7.760381      5.805505      1.591088
  C      -6.666566      6.366869      2.221348
  C      -6.802443      6.936357      3.511357
  C      -5.920462      2.905278      6.779801
  C      -6.653886      4.241337      6.671857
  C      -8.174824      4.114350      6.607267
  C      -8.750205      3.532458      5.344113
  N      -7.932191      3.120476      4.380390
  C      -8.481317      2.617831      3.243668
  N      -9.765804      2.466965      2.971349
  C     -10.637039      2.879886      3.944810
  C     -12.031188      2.759808      3.719596
  C     -12.933532      3.183018      4.678934
  C     -12.476812      3.737114      5.892473
  C     -11.119044      3.863440      6.139122
  C     -10.171583      3.436423      5.176742
  H      -2.628508      0.535488      2.559226
  H      -3.952723      1.729337      2.618284
  H      -4.388531      0.248239      4.935398
  H      -3.843473     -0.988161      3.822668
  H      -6.283399     -0.840149      3.722283
  H      -6.218368      0.927966      3.562716
  H      -6.244789      1.891964     -0.729171
  H      -5.223946     -2.336999     -2.157022
  H      -4.740797     -4.497859     -1.020753
  H      -4.748170     -4.620301      1.447453
  H      -5.211515     -2.612005      2.799959
  H      -4.266623      6.049837      5.927657
  H      -2.771229      6.568318      6.674734
  H      -2.267622      7.766855      4.377879
  H      -3.473727      8.477029      5.470220
  H      -4.205894      8.341843      3.017182
  H      -4.133522      6.592486      3.156492
  H      -7.351130      8.449643      6.933102
  H     -10.154981      6.335736      3.980721
  H      -9.868517      5.323851      1.718380
  H      -7.651233      5.368217      0.599943
  H      -5.700094      6.387310      1.715679
  H      -6.191225      2.408002      7.725304
  H      -6.272872      2.257540      5.971585
  H      -6.387988      4.876485      7.528126
  H      -6.290463      4.749866      5.772346
  H      -8.555380      3.526128      7.460713
  H      -8.613296      5.116569      6.733409
  H      -7.762286      2.312037      2.471450
  H     -12.360801      2.330486      2.773197
  H     -14.007323      3.090516      4.498277
  H     -13.200010      4.070570      6.637969
  H     -10.776594      4.300635      7.076869
  N      -4.994919      3.834015      3.854552
  H      -5.987649      3.545644      3.982238
  H      -4.911072      4.443187      3.025771
98
Coordinates from ORCA-job orca E -6204.342261352202
  N      -2.603659      1.870386      4.206747
  Mo     -3.460503      3.439599      5.048102
  N      -4.451103      3.023054      6.689268
  C      -3.700087      3.026986      7.937280
  C      -2.326078      2.410678      7.700303
  N      -1.698955      2.999828      6.493696
  C      -0.797684      2.050482      5.805878
  C      -1.608871      1.097538      4.934313
  C      -1.020595      4.294035      6.742542
  C      -1.118239      5.132264      5.458140
  N      -2.519924      5.217854      5.069616
  H      -0.929898      0.561910      4.221669
  H      -2.081550      0.304091      5.565745
  H      -0.131887      2.639700      5.158692
  H      -0.174709      1.505685      6.536170
  H      -0.694273      6.136906      5.631641
  H      -0.525780      4.672365      4.648167
  H      -1.551973      4.811677      7.558679
  H       0.025466      4.131194      7.067448
  H      -4.218741      2.433969      8.707193
  H      -3.590277      4.049287      8.345524
  H      -2.450982      1.335204      7.508553
  H      -1.667131      2.530419      8.579190
  C      -3.365094      1.058315      3.243182
  C      -4.305374      0.005015      3.892240
  C      -5.733752      0.001089      3.310812
  C      -5.764692     -0.102685      1.812374
  N      -6.050667      1.010997      1.137609
  C      -6.029881      0.928732     -0.219804
  N      -5.754123     -0.127391     -0.973139
  C      -5.472802     -1.288406     -0.303510
  C      -5.182343     -2.466888     -1.043018
  C      -4.906428     -3.652020     -0.386182
  C      -4.918295     -3.699901      1.025485
  C      -5.196886     -2.562262      1.772683
  C      -5.473044     -1.330104      1.127792
  C      -3.218828      6.330696      5.721724
  C      -3.262554      7.621527      4.886322
  C      -4.322080      7.557280      3.776148
  C      -5.738433      7.531784      4.290858
  N      -5.967528      8.037530      5.498913
  C      -7.230496      7.973943      5.979851
  N      -8.287538      7.440199      5.398320
  C      -8.085877      6.929229      4.150315
  C      -9.174685      6.345097      3.460996
  C      -8.997651      5.827180      2.197090
  C      -7.732103      5.880945      1.571510
  C      -6.652513      6.443394      2.221091
  C      -6.800249      6.972661      3.524061
  C      -5.908965      2.887567      6.753645
  C      -6.665633      4.222343      6.666535
  C      -8.184742      4.082144      6.601649
  C      -8.765328      3.521961      5.330777
  N      -7.950321      3.122505      4.358642
  C      -8.501833      2.645993      3.210827
  N      -9.784984      2.503482      2.938547
  C     -10.653843      2.900450      3.924219
  C     -12.046058      2.789731      3.699109
  C     -12.946403      3.198632      4.669556
  C     -12.489894      3.729588      5.892967
  C     -11.132214      3.846893      6.139653
  C     -10.187948      3.433193      5.166539
  H      -2.666782      0.556546      2.552249
  H      -3.974635      1.749720      2.657468
  H      -4.400921      0.238688      4.957306
  H      -3.870195     -1.000212      3.826675
  H      -6.304912     -0.832648      3.753498
  H      -6.237957      0.931188      3.601440
  H      -6.270048      1.858492     -0.748162
  H      -5.188818     -2.408255     -2.132526
  H      -4.683139     -4.562063     -0.958175
  H      -4.708330     -4.646478      1.523718
  H      -5.211710     -2.607675      2.862063
  H      -4.248737      6.025967      5.953230
  H      -2.747584      6.551131      6.698922
  H      -2.271807      7.799057      4.440715
  H      -3.485835      8.469977      5.554016
  H      -4.221166      8.412714      3.085644
  H      -4.128734      6.658132      3.167688
  H      -7.372394      8.404348      6.975784
  H     -10.142147      6.314663      3.959073
  H      -9.832745      5.358736      1.679244
  H      -7.616869      5.465379      0.568890
  H      -5.683676      6.494162      1.719468
  H      -6.179724      2.371012      7.696020
  H      -6.248607      2.243541      5.926349
  H      -6.404549      4.846499      7.534810
  H      -6.315685      4.755885      5.772745
  H      -8.555112      3.474340      7.443265
  H      -8.630610      5.076378      6.754150
  H      -7.784034      2.358531      2.431907
  H     -12.375478      2.379596      2.743741
  H     -14.019165      3.112581      4.488086
  H     -13.211060      4.052975      6.646964
  H     -10.787444      4.266663      7.084436
  N      -5.020824      3.856698      3.809879
  H      -6.015738      3.587553      3.947903
  H      -4.966782      4.480392      2.982034
98
Coordinates from ORCA-job orca E -6204.341872257040
  N      -2.667258      1.867506      4.207529
  Mo     -3.481258      3.450293      5.058226
  N      -4.457461      3.044274      6.714896
  C      -3.688751      3.028141      7.952548
  C      -2.324909      2.393730      7.688750
  N      -1.706881      2.986820      6.476493
  C      -0.825002      2.031979      5.763581
  C      -1.667281      1.078907      4.915279
  C      -1.010560      4.273851      6.730233
  C      -1.119814      5.131881      5.460456
  N      -2.525757      5.225584      5.086758
  H      -1.004387      0.532034      4.191256
  H      -2.142372      0.283551      5.555788
  H      -0.173316      2.621671      5.093725
  H      -0.177358      1.484952      6.478968
  H      -0.685915      6.135254      5.640723
  H      -0.537545      4.677923      4.639541
  H      -1.524478      4.785136      7.558692
  H       0.036511      4.096251      7.037412
  H      -4.203865      2.433852      8.726438
  H      -3.560006      4.046673      8.368950
  H      -2.469650      1.321892      7.489435
  H      -1.650287      2.494473      8.557847
  C      -3.439844      1.068377      3.249637
  C      -4.364089      0.012848      3.902788
  C      -5.777964     -0.013768      3.302411
  C      -5.792667     -0.119676      1.803046
  N      -6.092060      0.982204      1.125211
  C      -6.054032      0.898794     -0.233942
  N      -5.748900     -0.148623     -0.986945
  C      -5.454325     -1.297247     -0.313970
  C      -5.131673     -2.466980     -1.052171
  C      -4.838688     -3.641137     -0.391711
  C      -4.863518     -3.687823      1.022252
  C      -5.174326     -2.558935      1.767332
  C      -5.469638     -1.337527      1.119140
  C      -3.216802      6.346033      5.739527
  C      -3.267390      7.630668      4.896134
  C      -4.323692      7.550370      3.782451
  C      -5.738817      7.515643      4.294756
  N      -5.974261      8.019336      5.499205
  C      -7.236984      7.960640      5.968155
  N      -8.289900      7.435074      5.379548
  C      -8.079989      6.923255      4.135728
  C      -9.161993      6.347070      3.438759
  C      -8.974267      5.827078      2.180544
  C      -7.705059      5.870503      1.570042
  C      -6.633632      6.426710      2.227311
  C      -6.792198      6.957640      3.523881
  C      -5.916499      2.924641      6.798183
  C      -6.667501      4.266080      6.671894
  C      -8.184193      4.125089      6.610313
  C      -8.760769      3.546613      5.342047
  N      -7.951181      3.162305      4.371424
  C      -8.501376      2.682818      3.224651
  N      -9.776322      2.525128      2.950338
  C     -10.638568      2.904060      3.934093
  C     -12.022720      2.778840      3.706088
  C     -12.915553      3.166820      4.676150
  C     -12.460022      3.693420      5.901713
  C     -11.111117      3.826991      6.150211
  C     -10.174441      3.434894      5.177223
  H      -2.754004      0.573587      2.546276
  H      -4.051397      1.759655      2.671496
  H      -4.470446      0.260822      4.969644
  H      -3.915380     -0.987073      3.852352
  H      -6.342084     -0.845178      3.740408
  H      -6.290080      0.909019      3.582743
  H      -6.306063      1.819272     -0.763035
  H      -5.127638     -2.410276     -2.142797
  H      -4.590078     -4.543243     -0.963105
  H      -4.638399     -4.626063      1.524569
  H      -5.199255     -2.603770      2.857670
  H      -4.248970      6.046691      5.981283
  H      -2.734124      6.571595      6.713434
  H      -2.277003      7.810190      4.452363
  H      -3.497309      8.481836      5.557947
  H      -4.227566      8.401440      3.082358
  H      -4.125697      6.647158      3.182439
  H      -7.385752      8.389132      6.960233
  H     -10.132406      6.326833      3.925446
  H      -9.804824      5.367114      1.656038
  H      -7.577848      5.455126      0.573339
  H      -5.662910      6.469062      1.738077
  H      -6.184576      2.441313      7.762648
  H      -6.266118      2.251329      5.992274
  H      -6.403947      4.915177      7.524407
  H      -6.318673      4.773109      5.758779
  H      -8.549662      3.527321      7.461130
  H      -8.634011      5.120774      6.747992
  H      -7.791736      2.400562      2.449146
  H     -12.351556      2.372484      2.749661
  H     -13.981539      3.068583      4.493009
  H     -13.175416      3.999371      6.655973
  H     -10.767080      4.243020      7.095996
  N      -4.991828      3.863665      3.813039
  H      -5.970052      3.593618      3.922517
  H      -4.933471      4.511656      3.018744
98
Coordinates from ORCA-job orca E -6204.340967588958
  N      -2.705145      1.857808      4.200509
  Mo     -3.501311      3.450192      5.076216
  N      -4.461223      3.048913      6.748020
  C      -3.678860      3.009547      7.976095
  C      -2.324802      2.365121      7.683313
  N      -1.722270      2.971842      6.468543
  C      -0.844129      2.023102      5.733653
  C      -1.694879      1.078370      4.884953
  C      -1.022357      4.256070      6.734428
  C      -1.135862      5.124280      5.476893
  N      -2.542799      5.215186      5.099678
  H      -1.050144      0.553555      4.152681
  H      -2.151520      0.278278      5.511010
  H      -0.201350      2.623229      5.061276
  H      -0.183768      1.467803      6.436393
  H      -0.702629      6.127148      5.666770
  H      -0.551798      4.679348      4.653152
  H      -1.533428      4.758737      7.567475
  H       0.023695      4.075981      7.036994
  H      -4.189852      2.407977      8.749881
  H      -3.535053      4.023184      8.406170
  H      -2.482482      1.296322      7.470098
  H      -1.635760      2.446716      8.542982
  C      -3.491441      1.067892      3.250904
  C      -4.374550     -0.015514      3.909733
  C      -5.783552     -0.099400      3.296698
  C      -5.802078     -0.187824      1.794851
  N      -6.161514      0.903861      1.128835
  C      -6.141866      0.841003     -0.233000
  N      -5.803849     -0.177342     -1.002012
  C      -5.446859     -1.314505     -0.342352
  C      -5.085333     -2.453188     -1.098117
  C      -4.726658     -3.615496     -0.451553
  C      -4.722738     -3.682514      0.965300
  C      -5.070649     -2.584786      1.727254
  C      -5.434437     -1.375472      1.093628
  C      -3.233644      6.341795      5.748547
  C      -3.278583      7.626539      4.906534
  C      -4.322220      7.559066      3.781521
  C      -5.744098      7.532039      4.280170
  N      -5.990587      8.055399      5.475376
  C      -7.259384      8.006577      5.932013
  N      -8.309078      7.469655      5.342773
  C      -8.088127      6.934136      4.108544
  C      -9.164804      6.339615      3.412630
  C      -8.964676      5.788046      2.167221
  C      -7.690435      5.821536      1.566983
  C      -6.624894      6.401504      2.221572
  C      -6.793551      6.958803      3.508768
  C      -5.919859      2.941650      6.851893
  C      -6.662264      4.293886      6.701494
  C      -8.181838      4.167443      6.633825
  C      -8.756124      3.568342      5.365897
  N      -7.942824      3.145960      4.398013
  C      -8.494159      2.651962      3.252236
  N      -9.775122      2.507791      2.980009
  C     -10.641045      2.924194      3.959744
  C     -12.031982      2.818978      3.731176
  C     -12.929680      3.248641      4.697464
  C     -12.471916      3.798657      5.919469
  C     -11.116843      3.911928      6.168436
  C     -10.174835      3.477233      5.199489
  H      -2.822110      0.595163      2.523460
  H      -4.117540      1.762561      2.703653
  H      -4.493623      0.242384      4.978140
  H      -3.886553     -1.000728      3.874139
  H      -6.312415     -0.953356      3.722611
  H      -6.328216      0.794490      3.580986
  H      -6.445645      1.753328     -0.748468
  H      -5.104324     -2.382213     -2.190764
  H      -4.448892     -4.491875     -1.037349
  H      -4.444686     -4.611014      1.457502
  H      -5.072041     -2.645118      2.819576
  H      -4.268276      6.047736      5.986234
  H      -2.752591      6.565994      6.725737
  H      -2.286430      7.801817      4.474255
  H      -3.514980      8.472597      5.567676
  H      -4.214029      8.412371      3.089999
  H      -4.123421      6.659436      3.179267
  H      -7.417596      8.451459      6.916805
  H     -10.140834      6.329195      3.890035
  H      -9.791945      5.313463      1.644409
  H      -7.552192      5.379844      0.581057
  H      -5.649580      6.434853      1.741342
  H      -6.181929      2.481171      7.833752
  H      -6.281527      2.249581      6.063589
  H      -6.399774      4.956543      7.550029
  H      -6.302657      4.786551      5.777200
  H      -8.560738      3.585240      7.499796
  H      -8.622463      5.178594      6.747848
  H      -7.782780      2.334439      2.480450
  H     -12.361973      2.395145      2.777389
  H     -14.001280      3.166739      4.514362
  H     -13.191465      4.138524      6.670909
  H     -10.772361      4.345311      7.111827
  N      -4.985777      3.882515      3.835201
  H      -5.929864      3.590714      3.932244
  H      -4.925136      4.559511      3.037412
98
Coordinates from ORCA-job orca E -6204.341574661800
  N      -2.754263      1.856693      4.194641
  Mo     -3.525143      3.455197      5.082920
  N      -4.471792      3.070015      6.766394
  C      -3.672909      3.014544      7.985917
  C      -2.332283      2.351632      7.674005
  N      -1.737130      2.957509      6.453335
  C      -0.876845      2.004209      5.700546
  C      -1.746426      1.077321      4.861704
  C      -1.021827      4.234633      6.720491
  C      -1.139758      5.111030      5.473200
  N      -2.548768      5.211286      5.101798
  H      -1.121193      0.565197      4.135223
  H      -2.201654      0.285418      5.474474
  H      -0.242043      2.598716      5.025387
  H      -0.212756      1.443502      6.388648
  H      -0.700156      6.110656      5.665837
  H      -0.563242      4.666408      4.645201
  H      -1.522196      4.735494      7.558861
  H       0.023982      4.042651      7.013241
  H      -4.183981      2.418305      8.763827
  H      -3.509523      4.024572      8.417251
  H      -2.511282      1.287839      7.456329
  H      -1.632031      2.417436      8.526178
  C      -3.549719      1.068473      3.255770
  C      -4.406269     -0.023947      3.923881
  C      -5.802978     -0.145691      3.294971
  C      -5.805210     -0.216138      1.794948
  N      -6.200434      0.874547      1.145106
  C      -6.174631      0.834286     -0.212975
  N      -5.801345     -0.162543     -0.994475
  C      -5.406995     -1.298521     -0.351154
  C      -5.004941     -2.416183     -1.119083
  C      -4.606272     -3.576278     -0.491729
  C      -4.598552     -3.663752      0.919837
  C      -4.984675     -2.587330      1.693133
  C      -5.393141     -1.381021      1.078599
  C      -3.231136      6.347157      5.744863
  C      -3.270369      7.624918      4.893588
  C      -4.302066      7.547157      3.768311
  C      -5.722728      7.519559      4.264453
  N      -5.969935      8.048411      5.457520
  C      -7.239316      8.001368      5.911990
  N      -8.290613      7.462258      5.322644
  C      -8.068180      6.922807      4.088078
  C      -9.145782      6.325221      3.390340
  C      -8.945730      5.762026      2.145820
  C      -7.668669      5.787635      1.549760
  C      -6.602613      6.377639      2.202903
  C      -6.772030      6.943441      3.490516
  C      -5.929973      2.969434      6.887344
  C      -6.673603      4.315024      6.713088
  C      -8.192109      4.185459      6.655829
  C      -8.769634      3.566560      5.400594
  N      -7.952977      3.117983      4.440576
  C      -8.506547      2.614703      3.303866
  N      -9.792536      2.484444      3.029914
  C     -10.660398      2.928470      4.001316
  C     -12.057540      2.845716      3.770002
  C     -12.960176      3.308581      4.724936
  C     -12.501968      3.868076      5.940994
  C     -11.141015      3.958144      6.193084
  C     -10.193118      3.491745      5.233569
  H      -2.888071      0.596995      2.519132
  H      -4.182125      1.765329      2.712547
  H      -4.540517      0.249400      4.993837
  H      -3.891471     -1.000164      3.905025
  H      -6.310423     -1.015369      3.707620
  H      -6.376176      0.735020      3.576867
  H      -6.511813      1.746506     -0.710906
  H      -5.026327     -2.329577     -2.207019
  H      -4.299323     -4.435450     -1.087577
  H      -4.286373     -4.590105      1.398228
  H      -4.981694     -2.662840      2.781300
  H      -4.267727      6.061251      5.990008
  H      -2.744963      6.571053      6.717780
  H      -2.278236      7.802316      4.465827
  H      -3.512405      8.472204      5.545147
  H      -4.194083      8.400611      3.073476
  H      -4.103848      6.647567      3.170045
  H      -7.402202      8.451997      6.896007
  H     -10.124757      6.321274      3.867232
  H      -9.776130      5.284609      1.622164
  H      -7.524478      5.332617      0.570425
  H      -5.625483      6.404759      1.724808
  H      -6.183362      2.530373      7.878960
  H      -6.300439      2.262146      6.118940
  H      -6.408103      4.994830      7.544697
  H      -6.319823      4.788286      5.779302
  H      -8.568037      3.621051      7.534745
  H      -8.634000      5.199422      6.748151
  H      -7.792860      2.267928      2.541369
  H     -12.388358      2.414610      2.821927
  H     -14.036770      3.246282      4.538426
  H     -13.226460      4.234600      6.684280
  H     -10.796970      4.398527      7.131140
  N      -5.001984      3.886719      3.849743
  H      -5.949474      3.550265      3.953200
  H      -4.969059      4.544619      3.096476
98
Coordinates from ORCA-job orca E -6204.341558172794
  N      -2.806987      1.843269      4.201711
  Mo     -3.534746      3.464272      5.084496
  N      -4.492344      3.110532      6.767839
  C      -3.695302      3.055789      7.992053
  C      -2.365825      2.362204      7.688961
  N      -1.764872      2.948061      6.458930
  C      -0.919183      1.974581      5.709093
  C      -1.805516      1.045333      4.894759
  C      -1.023544      4.213482      6.720873
  C      -1.128699      5.090430      5.477414
  N      -2.538011      5.202297      5.088561
  H      -1.178684      0.506060      4.175400
  H      -2.280732      0.268655      5.532076
  H      -0.287132      2.559628      5.019257
  H      -0.250019      1.422460      6.400784
  H      -0.681755      6.084345      5.672428
  H      -0.546642      4.642503      4.656509
  H      -1.521206      4.721930      7.553359
  H       0.018001      4.003646      7.018549
  H      -4.221240      2.480779      8.778655
  H      -3.512111      4.068134      8.409080
  H      -2.566004      1.300336      7.481914
  H      -1.665055      2.423657      8.541093
  C      -3.603840      1.062191      3.263550
  C      -4.454235     -0.035298      3.942857
  C      -5.834802     -0.197298      3.275771
  C      -5.805210     -0.245217      1.772552
  N      -6.241225      0.844495      1.127987
  C      -6.214490      0.834014     -0.227868
  N      -5.809290     -0.135242     -1.016927
  C      -5.372633     -1.271519     -0.381558
  C      -4.939941     -2.363395     -1.159031
  C      -4.498164     -3.523650     -0.544751
  C      -4.475859     -3.638726      0.865715
  C      -4.892474     -2.588168      1.648312
  C      -5.348309     -1.382835      1.046323
  C      -3.211353      6.353943      5.710009
  C      -3.230459      7.616079      4.842330
  C      -4.262449      7.529264      3.724134
  C      -5.685459      7.517985      4.233943
  N      -5.914618      8.053158      5.432646
  C      -7.183356      8.015887      5.904348
  N      -8.251875      7.484762      5.328471
  C      -8.046834      6.933803      4.088995
  C      -9.139142      6.334781      3.407793
  C      -8.954799      5.746384      2.166926
  C      -7.679152      5.746789      1.561021
  C      -6.600050      6.345577      2.194237
  C      -6.753080      6.936489      3.477295
  C      -5.947906      3.014838      6.902399
  C      -6.687374      4.349381      6.718965
  C      -8.206037      4.218545      6.672498
  C      -8.788057      3.580617      5.432502
  N      -7.969764      3.131950      4.476457
  C      -8.523908      2.618299      3.348246
  N      -9.812788      2.482321      3.075648
  C     -10.679212      2.925674      4.041096
  C     -12.076121      2.834198      3.810299
  C     -12.977864      3.291904      4.758612
  C     -12.518322      3.856753      5.969215
  C     -11.158771      3.956905      6.220242
  C     -10.210909      3.495219      5.266648
  H      -2.932611      0.580644      2.522860
  H      -4.237707      1.772047      2.707668
  H      -4.624945      0.256556      5.012762
  H      -3.907888     -1.005450      3.959257
  H      -6.321198     -1.085933      3.675792
  H      -6.448692      0.667281      3.541338
  H      -6.585859      1.748730     -0.712161
  H      -4.972946     -2.254586     -2.245138
  H      -4.170621     -4.362025     -1.149407
  H      -4.128296     -4.564584      1.336063
  H      -4.876282     -2.686197      2.735218
  H      -4.252255      6.084892      5.956969
  H      -2.727026      6.580919      6.680190
  H      -2.234370      7.776580      4.410944
  H      -3.464033      8.472932      5.482298
  H      -4.151005      8.377338      3.024835
  H      -4.075250      6.626593      3.127885
  H      -7.333597      8.468768      6.895071
  H     -10.116668      6.346416      3.897298
  H      -9.797640      5.267178      1.655943
  H      -7.539845      5.268666      0.590415
  H      -5.624072      6.353023      1.708845
  H      -6.189630      2.590866      7.893618
  H      -6.331013      2.302320      6.155121
  H      -6.415141      5.034230      7.537424
  H      -6.340792      4.807030      5.782772
  H      -8.578097      3.673519      7.562371
  H      -8.647874      5.232740      6.740907
  H      -7.809588      2.261440      2.595320
  H     -12.407763      2.399089      2.866995
  H     -14.053642      3.222493      4.572524
  H     -13.242508      4.218991      6.708173
  H     -10.815796      4.402283      7.153897
  N      -4.981644      3.889232      3.854339
  H      -5.952601      3.531316      3.993894
  H      -4.906837      4.541186      3.067466
98
Coordinates from ORCA-job orca E -6204.342461161183
  N      -2.724234      1.846922      4.207151
  Mo     -3.499224      3.465856      5.072265
  N      -4.486587      3.100445      6.727934
  C      -3.718362      3.066447      7.973281
  C      -2.372581      2.392209      7.706016
  N      -1.749486      2.976104      6.488219
  C      -0.875128      2.005541      5.772833
  C      -1.721881      1.072268      4.936102
  C      -1.029448      4.250060      6.758382
  C      -1.116659      5.103004      5.497308
  N      -2.519890      5.204821      5.076031
  H      -1.075876      0.535499      4.231821
  H      -2.188207      0.304255      5.570827
  H      -0.230329      2.588869      5.108496
  H      -0.230843      1.456104      6.477735
  H      -0.675514      6.096309      5.680748
  H      -0.521703      4.643271      4.696124
  H      -1.552208      4.764011      7.572757
  H       0.007079      4.058992      7.086335
  H      -4.255783      2.490403      8.751684
  H      -3.563693      4.086131      8.385360
  H      -2.551247      1.326590      7.502373
  H      -1.694222      2.469959      8.575229
  C      -3.496544      1.055716      3.254368
  C      -4.375025     -0.034309      3.926001
  C      -5.776815     -0.157039      3.268348
  C      -5.765119     -0.220349      1.762328
  N      -6.146389      0.887446      1.104956
  C      -6.130031      0.865472     -0.252737
  N      -5.784534     -0.128571     -1.032312
  C      -5.407444     -1.283250     -0.385298
  C      -5.042837     -2.400935     -1.152682
  C      -4.665477     -3.580960     -0.523045
  C      -4.642604     -3.689075      0.890192
  C      -4.992540     -2.612109      1.664684
  C      -5.379890     -1.386215      1.048154
  C      -3.210003      6.349852      5.692967
  C      -3.223585      7.611330      4.825757
  C      -4.274689      7.530527      3.724902
  C      -5.697048      7.534192      4.251227
  N      -5.911600      8.059079      5.460488
  C      -7.175686      8.020422      5.949159
  N      -8.251290      7.492472      5.385887
  C      -8.064414      6.946944      4.140156
  C      -9.163363      6.344529      3.477156
  C      -8.994622      5.766990      2.227177
  C      -7.733759      5.779814      1.595111
  C      -6.645283      6.372751      2.216030
  C      -6.778178      6.958058      3.506376
  C      -5.942679      2.992544      6.841912
  C      -6.678220      4.321899      6.686880
  C      -8.199242      4.188282      6.629270
  C      -8.780870      3.568407      5.382596
  N      -7.969222      3.129140      4.422627
  C      -8.531373      2.612982      3.299665
  N      -9.821762      2.473551      3.035669
  C     -10.683271      2.910739      4.001087
  C     -12.079665      2.806940      3.779494
  C     -12.970981      3.251863      4.734618
  C     -12.500532      3.816690      5.939407
  C     -11.141429      3.928950      6.181056
  C     -10.204061      3.479018      5.222610
  H      -2.807095      0.574217      2.530836
  H      -4.133419      1.751942      2.690859
  H      -4.531470      0.247310      4.992514
  H      -3.853612     -1.014393      3.928775
  H      -6.291806     -1.038374      3.684609
  H      -6.369047      0.731858      3.532570
  H      -6.445347      1.793486     -0.750613
  H      -5.075203     -2.298185     -2.242768
  H      -4.389471     -4.438769     -1.121483
  H      -4.348809     -4.630149      1.373556
  H      -4.976661     -2.705721      2.755144
  H      -4.251513      6.076966      5.925139
  H      -2.738176      6.575050      6.666947
  H      -2.227936      7.754062      4.379354
  H      -3.435020      8.476281      5.463050
  H      -4.159815      8.371762      3.022685
  H      -4.104134      6.622734      3.128938
  H      -7.317134      8.475458      6.938142
  H     -10.130562      6.346616      3.984469
  H      -9.840609      5.287633      1.728060
  H      -7.613953      5.316267      0.610991
  H      -5.680809      6.389122      1.710462
  H      -6.192171      2.543628      7.812523
  H      -6.314051      2.305457      6.074546
  H      -6.410963      4.985784      7.519719
  H      -6.321208      4.797829      5.767704
  H      -8.570599      3.626017      7.505423
  H      -8.643229      5.195346      6.716759
  H      -7.823263      2.270815      2.535907
  H     -12.419440      2.369928      2.839821
  H     -14.046343      3.171195      4.558000
  H     -13.215962      4.167784      6.682208
  H     -10.789149      4.373485      7.111507
  N      -4.985140      3.886948      3.852654
  H      -5.954080      3.547609      3.974989
  H      -4.938170      4.544912      3.080218
98
Coordinates from ORCA-job orca E -6204.338420699124
  N      -2.727902      1.856394      4.219604
  Mo     -3.506015      3.445365      5.072105
  N      -4.498123      3.091556      6.722537
  C      -3.736238      3.056066      7.968702
  C      -2.385653      2.385132      7.706267
  N      -1.753240      2.968838      6.489941
  C      -0.864547      2.001666      5.801005
  C      -1.713978      1.055570      4.962610
  C      -1.024500      4.245012      6.764395
  C      -1.100796      5.098641      5.481310
  N      -2.505201      5.201605      5.063583
  H      -1.049571      0.500252      4.235546
  H      -2.191952      0.274363      5.608113
  H      -0.206942      2.589026      5.130662
  H      -0.212932      1.460120      6.526446
  H      -0.651899      6.094759      5.647606
  H      -0.508267      4.625299      4.675594
  H      -1.552205      4.771048      7.577160
  H       0.008708      4.040940      7.106654
  H      -4.276254      2.480700      8.747093
  H      -3.586130      4.075401      8.382098
  H      -2.570017      1.325262      7.506203
  H      -1.708931      2.463387      8.572610
  C      -3.499316      1.071766      3.258864
  C      -4.391913      0.009241      3.917187
  C      -5.772848     -0.110110      3.271317
  C      -5.760671     -0.179976      1.773898
  N      -6.121480      0.934565      1.134563
  C      -6.090513      0.910409     -0.217544
  N      -5.740720     -0.100040     -1.002811
  C      -5.389131     -1.262467     -0.371514
  C      -5.024531     -2.399050     -1.143458
  C      -4.680487     -3.585785     -0.526921
  C      -4.682880     -3.683509      0.868779
  C      -5.033171     -2.584891      1.649242
  C      -5.386832     -1.354334      1.050719
  C      -3.188991      6.349722      5.678654
  C      -3.206128      7.620865      4.823795
  C      -4.279253      7.536973      3.727114
  C      -5.708634      7.522608      4.252680
  N      -5.944274      8.037597      5.468989
  C      -7.209650      7.970864      5.929236
  N      -8.275742      7.426852      5.342530
  C      -8.074247      6.896636      4.095976
  C      -9.162519      6.289964      3.411179
  C      -8.970936      5.737501      2.146191
  C      -7.703722      5.775303      1.531978
  C      -6.623622      6.369313      2.184353
  C      -6.773392      6.936672      3.485094
  C      -5.958262      2.991879      6.833396
  C      -6.688629      4.336016      6.680138
  C      -8.207422      4.184948      6.630964
  C      -8.778755      3.570632      5.383691
  N      -7.964770      3.153522      4.404351
  C      -8.518916      2.639989      3.287308
  N      -9.804331      2.498031      3.048427
  C     -10.676739      2.916919      4.031383
  C     -12.071304      2.815152      3.832532
  C     -12.964054      3.246542      4.810863
  C     -12.498492      3.791550      6.010327
  C     -11.142517      3.902157      6.229897
  C     -10.201904      3.471110      5.249394
  H      -2.802958      0.581853      2.546382
  H      -4.109031      1.778595      2.685151
  H      -4.545674      0.290642      4.955905
  H      -3.888878     -0.947770      3.918732
  H      -6.302832     -0.998212      3.694874
  H      -6.367091      0.795579      3.538401
  H      -6.382638      1.833566     -0.706346
  H      -5.035833     -2.307447     -2.223274
  H      -4.405048     -4.458469     -1.130913
  H      -4.415836     -4.626946      1.343762
  H      -5.038195     -2.673980      2.729848
  H      -4.234039      6.080239      5.905684
  H      -2.715106      6.563793      6.642953
  H      -2.206516      7.766153      4.371143
  H      -3.409866      8.490391      5.472440
  H      -4.162946      8.381965      3.030301
  H      -4.110637      6.624289      3.127605
  H      -7.368123      8.415182      6.909766
  H     -10.134855      6.273368      3.902230
  H      -9.804130      5.259052      1.624287
  H      -7.570776      5.338262      0.537617
  H      -5.652275      6.410040      1.688883
  H      -6.217344      2.537592      7.815765
  H      -6.323426      2.294780      6.056033
  H      -6.419573      5.002367      7.522980
  H      -6.334112      4.823400      5.755372
  H      -8.559681      3.612004      7.500328
  H      -8.663360      5.180564      6.734981
  H      -7.810331      2.317237      2.501153
  H     -12.410055      2.391554      2.895582
  H     -14.035362      3.170101      4.653030
  H     -13.215088      4.129970      6.768417
  H     -10.791904      4.336116      7.156771
  N      -5.012440      3.849829      3.875081
  H      -5.982454      3.533205      3.967664
  H      -4.990775      4.509366      3.092273
98
Coordinates from ORCA-job orca E -6204.341366471526
  N      -2.662112      1.872716      4.192657
  Mo     -3.491431      3.441854      5.061054
  N      -4.486720      3.050760      6.703917
  C      -3.733026      3.033397      7.955476
  C      -2.367387      2.389941      7.697572
  N      -1.741799      2.987668      6.485480
  C      -0.831738      2.036648      5.799456
  C      -1.658462      1.085561      4.944050
  C      -1.038007      4.273007      6.766903
  C      -1.120017      5.117657      5.484703
  N      -2.522504      5.209317      5.064931
  H      -0.989694      0.540551      4.223761
  H      -2.133618      0.300617      5.576746
  H      -0.174773      2.635198      5.140094
  H      -0.183010      1.498180      6.527607
  H      -0.680071      6.115531      5.650317
  H      -0.525623      4.645867      4.683884
  H      -1.579148      4.790605      7.574330
  H      -0.004794      4.089034      7.115845
  H      -4.264742      2.444285      8.729789
  H      -3.607801      4.056627      8.372056
  H      -2.527197      1.324985      7.492482
  H      -1.695481      2.479806      8.567339
  C      -3.423383      1.073577      3.235518
  C      -4.344100      0.027890      3.901181
  C      -5.744081     -0.058515      3.270945
  C      -5.750950     -0.154376      1.773047
  N      -6.076460      0.961724      1.114465
  C      -6.047680      0.913561     -0.237781
  N      -5.733371     -0.120965     -1.007283
  C      -5.420847     -1.284634     -0.356614
  C      -5.097780     -2.443809     -1.112295
  C      -4.798013     -3.631875     -0.476932
  C      -4.807218     -3.707846      0.923510
  C      -5.115411     -2.587948      1.688030
  C      -5.421326     -1.354882      1.069068
  C      -3.214796      6.344198      5.695542
  C      -3.229591      7.622004      4.851148
  C      -4.296054      7.540183      3.755178
  C      -5.722028      7.530065      4.280464
  N      -5.956580      8.049401      5.494603
  C      -7.221181      7.982028      5.963966
  N      -8.285414      7.436140      5.383670
  C      -8.083394      6.904424      4.137147
  C      -9.171688      6.303587      3.455188
  C      -8.982100      5.757157      2.192995
  C      -7.716553      5.795612      1.574525
  C      -6.634290      6.378172      2.223970
  C      -6.785219      6.941648      3.520981
  C      -5.949984      2.955892      6.804883
  C      -6.673640      4.309146      6.665288
  C      -8.196443      4.174786      6.611482
  C      -8.769221      3.564867      5.357868
  N      -7.956831      3.145256      4.383139
  C      -8.507825      2.625753      3.258927
  N      -9.789005      2.472151      3.011201
  C     -10.659353      2.894204      3.989816
  C     -12.049376      2.783150      3.780505
  C     -12.942823      3.222098      4.750960
  C     -12.481930      3.785882      5.953973
  C     -11.129341      3.902964      6.184248
  C     -10.189039      3.463871      5.211688
  H      -2.719982      0.561232      2.548878
  H      -4.018097      1.774397      2.638657
  H      -4.479143      0.312886      4.942914
  H      -3.866193     -0.947317      3.897483
  H      -6.296170     -0.924196      3.712017
  H      -6.306010      0.864412      3.531684
  H      -6.312022      1.842313     -0.743409
  H      -5.105153     -2.367884     -2.195479
  H      -4.554463     -4.521339     -1.068083
  H      -4.578275     -4.652774      1.413182
  H      -5.127421     -2.660654      2.771353
  H      -4.258022      6.068862      5.913888
  H      -2.747284      6.549831      6.667653
  H      -2.231268      7.769647      4.404015
  H      -3.437420      8.486883      5.501383
  H      -4.176126      8.379463      3.052917
  H      -4.127874      6.621022      3.163976
  H      -7.378142      8.430176      6.946123
  H     -10.143868      6.289538      3.946912
  H      -9.817032      5.285385      1.674187
  H      -7.588744      5.369939      0.577218
  H      -5.665337      6.422263      1.725449
  H      -6.220049      2.487180      7.779920
  H      -6.310102      2.271682      6.015306
  H      -6.404356      4.965914      7.516036
  H      -6.311385      4.803513      5.743893
  H      -8.562376      3.600137      7.482017
  H      -8.641805      5.180737      6.715428
  H      -7.797389      2.308331      2.475037
  H     -12.383573      2.346430      2.840696
  H     -14.011799      3.139704      4.584441
  H     -13.198731      4.132231      6.705981
  H     -10.783330      4.351140      7.113674
  N      -5.010929      3.836295      3.871621
  H      -5.995808      3.529891      3.971192
  H      -4.964314      4.476140      3.074644
98
Coordinates from ORCA-job orca E -6204.343172041445
  N      -2.669021      1.873689      4.198517
  Mo     -3.496503      3.446983      5.069110
  N      -4.487963      3.051437      6.716919
  C      -3.730271      3.025522      7.968220
  C      -2.363161      2.392812      7.704901
  N      -1.744858      2.991889      6.492431
  C      -0.845821      2.037028      5.796461
  C      -1.680234      1.092556      4.949604
  C      -1.046057      4.276736      6.766060
  C      -1.125173      5.118450      5.481969
  N      -2.525278      5.211912      5.064123
  H      -1.021057      0.541123      4.246094
  H      -2.161769      0.322566      5.582801
  H      -0.192868      2.627504      5.134040
  H      -0.199815      1.495341      6.517117
  H      -0.687998      6.118564      5.651403
  H      -0.529513      4.646999      4.679993
  H      -1.591358      4.794741      7.572175
  H      -0.011640      4.094132      7.117301
  H      -4.256549      2.423622      8.733905
  H      -3.611456      4.043884      8.398368
  H      -2.513546      1.324454      7.498886
  H      -1.688069      2.486761      8.573372
  C      -3.419387      1.070347      3.230302
  C      -4.346957      0.024030      3.889121
  C      -5.749306     -0.039929      3.260593
  C      -5.758268     -0.131991      1.764366
  N      -6.076458      0.983476      1.100379
  C      -6.043681      0.931667     -0.252529
  N      -5.731664     -0.102243     -1.017383
  C      -5.420821     -1.266050     -0.361025
  C      -5.090643     -2.426073     -1.110767
  C      -4.788096     -3.615317     -0.468209
  C      -4.805435     -3.689412      0.936488
  C      -5.121848     -2.569545      1.693228
  C      -5.426938     -1.335448      1.065882
  C      -3.222155      6.350120      5.687936
  C      -3.221547      7.622416      4.833328
  C      -4.276454      7.534228      3.733869
  C      -5.694701      7.524903      4.261131
  N      -5.918091      8.052543      5.471424
  C      -7.183527      7.991113      5.958458
  N      -8.251573      7.439016      5.392381
  C      -8.056296      6.899215      4.144814
  C      -9.151170      6.290170      3.476585
  C      -8.975273      5.741232      2.216169
  C      -7.711423      5.785229      1.581715
  C      -6.622761      6.370506      2.215922
  C      -6.764793      6.934469      3.512126
  C      -5.950958      2.956204      6.816865
  C      -6.678534      4.293678      6.671390
  C      -8.199705      4.160158      6.614733
  C      -8.778363      3.550396      5.369100
  N      -7.965035      3.122772      4.409611
  C      -8.519471      2.594914      3.293365
  N      -9.805005      2.441207      3.038535
  C     -10.674824      2.875026      4.003259
  C     -12.071438      2.766233      3.787250
  C     -12.968550      3.213780      4.740884
  C     -12.505086      3.784060      5.936729
  C     -11.145093      3.898209      6.173343
  C     -10.202278      3.450840      5.216183
  H      -2.707538      0.560980      2.549330
  H      -4.022562      1.762748      2.623733
  H      -4.474443      0.297989      4.942570
  H      -3.879366     -0.964242      3.871953
  H      -6.301942     -0.896336      3.694210
  H      -6.297896      0.878279      3.528481
  H      -6.306855      1.864024     -0.763298
  H      -5.092034     -2.350515     -2.195757
  H      -4.535302     -4.507051     -1.052378
  H      -4.573974     -4.636207      1.429752
  H      -5.140883     -2.638823      2.778215
  H      -4.266692      6.076475      5.894736
  H      -2.767648      6.562021      6.669794
  H      -2.223231      7.759846      4.388706
  H      -3.424695      8.497814      5.471090
  H      -4.163598      8.369419      3.019445
  H      -4.103726      6.612896      3.152380
  H      -7.329830      8.447187      6.946600
  H     -10.120322      6.274618      3.981732
  H      -9.818416      5.261548      1.710681
  H      -7.594059      5.358598      0.584560
  H      -5.654187      6.414816      1.708665
  H      -6.216715      2.494147      7.782452
  H      -6.312536      2.277133      6.036260
  H      -6.411939      4.949997      7.510743
  H      -6.318462      4.778809      5.757695
  H      -8.565366      3.587707      7.480000
  H      -8.646703      5.160612      6.721028
  H      -7.807080      2.264373      2.529322
  H     -12.406128      2.323727      2.854335
  H     -14.044244      3.133885      4.568284
  H     -13.225014      4.137163      6.677310
  H     -10.797865      4.350970      7.096085
  N      -4.995900      3.853850      3.855961
  H      -5.981873      3.603722      3.948458
  H      -4.920860      4.482731      3.047011
98
Coordinates from ORCA-job orca E -6204.342706413416
  N      -2.689226      1.867036      4.222433
  Mo     -3.487835      3.462544      5.064731
  N      -4.482005      3.090967      6.716876
  C      -3.717951      3.057004      7.964376
  C      -2.361449      2.411359      7.708005
  N      -1.737198      2.995416      6.493743
  C      -0.854552      2.020369      5.803099
  C      -1.697425      1.074499      4.970484
  C      -1.028432      4.274856      6.758054
  C      -1.103530      5.113216      5.475159
  N      -2.504951      5.213849      5.057962
  H      -1.039920      0.512368      4.266086
  H      -2.185084      0.306977      5.622994
  H      -0.201507      2.590982      5.135430
  H      -0.219788      1.482243      6.522790
  H      -0.658188      6.109658      5.642644
  H      -0.512089      4.636307      4.675242
  H      -1.566828      4.799160      7.562590
  H       0.005510      4.089273      7.104866
  H      -4.246104      2.464496      8.730414
  H      -3.584915      4.070547      8.389697
  H      -2.522808      1.343788      7.508214
  H      -1.689294      2.503111      8.579676
  C      -3.446711      1.066005      3.252214
  C      -4.363817     -0.001269      3.909702
  C      -5.764586     -0.075567      3.263018
  C      -5.760234     -0.158829      1.759327
  N      -6.086048      0.947089      1.090309
  C      -6.060371      0.897360     -0.270698
  N      -5.755620     -0.119434     -1.039248
  C      -5.437999     -1.272092     -0.378528
  C      -5.114452     -2.413480     -1.131983
  C      -4.793661     -3.593921     -0.484213
  C      -4.786534     -3.676450      0.931324
  C      -5.099886     -2.574905      1.692143
  C      -5.425084     -1.348241      1.058079
  C      -3.200215      6.347095      5.695802
  C      -3.231389      7.627887      4.846923
  C      -4.294636      7.566747      3.745791
  C      -5.704596      7.530795      4.268668
  N      -5.935109      8.049657      5.469761
  C      -7.195063      7.982674      5.953571
  N      -8.247441      7.424780      5.391321
  C      -8.046121      6.893993      4.149344
  C      -9.129160      6.280938      3.480429
  C      -8.952209      5.738669      2.220132
  C      -7.696740      5.794399      1.585466
  C      -6.619890      6.384139      2.220724
  C      -6.763734      6.941332      3.518685
  C      -5.940001      2.984355      6.819443
  C      -6.678333      4.312149      6.664822
  C      -8.195347      4.164458      6.614452
  C      -8.772479      3.543862      5.365766
  N      -7.956932      3.112260      4.401611
  C      -8.511733      2.584466      3.280373
  N      -9.802334      2.437603      3.020725
  C     -10.671419      2.871651      3.990686
  C     -12.070954      2.765031      3.773054
  C     -12.969997      3.207450      4.731712
  C     -12.504569      3.772998      5.934993
  C     -11.141610      3.888152      6.173380
  C     -10.197408      3.443452      5.211405
  H      -2.729939      0.567831      2.552188
  H      -4.066660      1.764843      2.654659
  H      -4.512081      0.271929      4.974940
  H      -3.874117     -0.996446      3.898011
  H      -6.306085     -0.934841      3.685840
  H      -6.325317      0.830012      3.531213
  H      -6.330772      1.820292     -0.785640
  H      -5.131829     -2.331318     -2.224789
  H      -4.544073     -4.472048     -1.070388
  H      -4.536289     -4.618152      1.427014
  H      -5.099651     -2.648357      2.785176
  H      -4.239602      6.061443      5.918517
  H      -2.731926      6.560532      6.676455
  H      -2.242485      7.780484      4.393881
  H      -3.438914      8.483261      5.501822
  H      -4.202631      8.423300      3.053791
  H      -4.110421      6.673468      3.139171
  H      -7.348849      8.437407      6.935081
  H     -10.095313      6.259297      3.985188
  H      -9.788403      5.255334      1.713181
  H      -7.580331      5.371002      0.583529
  H      -5.657477      6.434230      1.712697
  H      -6.198349      2.530850      7.787710
  H      -6.301094      2.297824      6.044725
  H      -6.410812      4.981153      7.496830
  H      -6.328855      4.789219      5.743953
  H      -8.552720      3.589970      7.485117
  H      -8.647479      5.163595      6.719404
  H      -7.796673      2.262690      2.508322
  H     -12.406210      2.325550      2.834461
  H     -14.048720      3.127455      4.557915
  H     -13.225410      4.120968      6.680026
  H     -10.793305      4.335857      7.102351
  N      -4.988237      3.881245      3.834994
  H      -5.968038      3.585589      3.959571
  H      -4.954411      4.517010      3.048500
98
Coordinates from ORCA-job orca E -6204.342906253389
  N      -2.686805      1.871757      4.219637
  Mo     -3.492352      3.459626      5.080888
  N      -4.480937      3.076375      6.732077
  C      -3.716516      3.033550      7.977300
  C      -2.358143      2.389788      7.705986
  N      -1.739883      2.991252      6.492972
  C      -0.848647      2.031803      5.789035
  C      -1.682121      1.097522      4.934174
  C      -1.039228      4.274423      6.766435
  C      -1.114351      5.119928      5.488671
  N      -2.516181      5.217483      5.064546
  H      -1.034234      0.586407      4.221910
  H      -2.143715      0.310877      5.552832
  H      -0.195383      2.618312      5.134002
  H      -0.212619      1.485938      6.504402
  H      -0.671377      6.119299      5.658228
  H      -0.515319      4.645194      4.692142
  H      -1.584290      4.789370      7.570345
  H      -0.004181      4.095050      7.113353
  H      -4.242243      2.429497      8.739995
  H      -3.584281      4.044308      8.412248
  H      -2.522512      1.323607      7.493417
  H      -1.681324      2.469752      8.576604
  C      -3.457243      1.073507      3.259778
  C      -4.338813     -0.011036      3.912576
  C      -5.744789     -0.100792      3.283220
  C      -5.749337     -0.172679      1.780736
  N      -6.093349      0.940868      1.121814
  C      -6.084152      0.904866     -0.235744
  N      -5.781368     -0.108049     -1.011476
  C      -5.444143     -1.269674     -0.360541
  C      -5.127950     -2.408466     -1.122110
  C      -4.786101     -3.597071     -0.488334
  C      -4.747409     -3.691910      0.924173
  C      -5.055611     -2.594103      1.692216
  C      -5.407574     -1.358610      1.071015
  C      -3.212850      6.351338      5.694154
  C      -3.228951      7.631558      4.845069
  C      -4.291700      7.564515      3.735688
  C      -5.709340      7.523771      4.254146
  N      -5.946588      8.030766      5.459882
  C      -7.204621      7.948802      5.937881
  N      -8.252545      7.391887      5.364947
  C      -8.044292      6.880700      4.115344
  C      -9.118678      6.267360      3.431909
  C      -8.931481      5.729445      2.168199
  C      -7.672986      5.794584      1.543589
  C      -6.607022      6.392111      2.189773
  C      -6.762576      6.938482      3.492419
  C      -5.938809      2.970110      6.828000
  C      -6.684421      4.305547      6.667587
  C      -8.199923      4.157438      6.631156
  C      -8.789464      3.546181      5.379883
  N      -7.984650      3.126585      4.406430
  C      -8.548509      2.628543      3.276895
  N      -9.836794      2.497233      3.013245
  C     -10.691498      2.917563      3.994093
  C     -12.086255      2.832098      3.772668
  C     -12.973455      3.257825      4.738908
  C     -12.501161      3.785966      5.956788
  C     -11.143068      3.883446      6.198817
  C     -10.210157      3.455754      5.226734
  H      -2.767345      0.596888      2.548039
  H      -4.081047      1.761813      2.695774
  H      -4.472486      0.247556      4.981647
  H      -3.836561     -0.991328      3.883377
  H      -6.274960     -0.963296      3.705847
  H      -6.310712      0.798514      3.556703
  H      -6.365324      1.836162     -0.738051
  H      -5.169233     -2.315934     -2.211315
  H      -4.543813     -4.472402     -1.080595
  H      -4.477699     -4.640646      1.409784
  H      -5.031000     -2.677542      2.781818
  H      -4.256910      6.067877      5.907930
  H      -2.753417      6.564390      6.679375
  H      -2.230305      7.780861      4.394149
  H      -3.436536      8.492654      5.504109
  H      -4.198762      8.423986      3.047787
  H      -4.102652      6.669740      3.122511
  H      -7.364230      8.387173      6.924694
  H     -10.085371      6.234531      3.931068
  H      -9.760376      5.240701      1.652077
  H      -7.540735      5.369383      0.542742
  H      -5.643467      6.448873      1.689584
  H      -6.199596      2.513978      7.801354
  H      -6.294256      2.279789      6.044923
  H      -6.409745      4.985288      7.496808
  H      -6.348138      4.778847      5.732152
  H      -8.551339      3.577699      7.504647
  H      -8.648255      5.160448      6.742338
  H      -7.844512      2.306818      2.504036
  H     -12.426950      2.421320      2.823527
  H     -14.047468      3.193214      4.560690
  H     -13.212748      4.119554      6.709101
  H     -10.789628      4.303305      7.138083
  N      -5.014142      3.859242      3.863973
  H      -5.995961      3.542025      3.995675
  H      -4.981511      4.520706      3.082376
98
Coordinates from ORCA-job orca E -6204.344104376176
  N      -2.654103      1.880576      4.187415
  Mo     -3.494060      3.456187      5.061439
  N      -4.483134      3.049383      6.706610
  C      -3.724218      3.021604      7.955856
  C      -2.357733      2.391135      7.688230
  N      -1.741678      3.000144      6.478508
  C      -0.837068      2.050558      5.777870
  C      -1.661422      1.106170      4.923477
  C      -1.052460      4.287388      6.758569
  C      -1.139298      5.131246      5.488388
  N      -2.539309      5.219676      5.067460
  H      -1.002974      0.577194      4.217019
  H      -2.134297      0.325735      5.550007
  H      -0.188613      2.644101      5.120853
  H      -0.194669      1.513197      6.496815
  H      -0.703826      6.130036      5.658018
  H      -0.544975      4.662466      4.692251
  H      -1.598067      4.793648      7.562907
  H      -0.018496      4.117701      7.102595
  H      -4.247035      2.414713      8.718819
  H      -3.607409      4.037274      8.387473
  H      -2.509588      1.323315      7.472521
  H      -1.684217      2.476973      8.560231
  C      -3.415865      1.074232      3.232118
  C      -4.326353      0.011699      3.898966
  C      -5.742083     -0.061146      3.278862
  C      -5.750840     -0.152958      1.778480
  N      -6.068154      0.964445      1.111000
  C      -6.039243      0.914262     -0.241564
  N      -5.730013     -0.118646     -1.006209
  C      -5.421811     -1.283627     -0.346982
  C      -5.104748     -2.439451     -1.097395
  C      -4.810772     -3.628900     -0.457133
  C      -4.818870     -3.708801      0.952446
  C      -5.120008     -2.595087      1.710530
  C      -5.424092     -1.357635      1.081822
  C      -3.237763      6.347146      5.697794
  C      -3.231192      7.622747      4.849866
  C      -4.278788      7.546537      3.748117
  C      -5.698933      7.538891      4.271483
  N      -5.923947      8.059112      5.480688
  C      -7.182547      7.986499      5.970200
  N      -8.243941      7.431943      5.405736
  C      -8.047223      6.907954      4.153371
  C      -9.131207      6.292328      3.480123
  C      -8.951989      5.742652      2.220485
  C      -7.694211      5.798360      1.587297
  C      -6.618341      6.395844      2.222173
  C      -6.764514      6.952458      3.521066
  C      -5.942899      2.949113      6.805484
  C      -6.679482      4.289526      6.662523
  C      -8.200347      4.154986      6.619305
  C      -8.788414      3.550416      5.366899
  N      -7.979500      3.128629      4.396929
  C      -8.541542      2.621452      3.268221
  N      -9.829225      2.476558      3.004557
  C     -10.688113      2.900947      3.980791
  C     -12.081222      2.798203      3.757642
  C     -12.971292      3.228313      4.718528
  C     -12.503443      3.777638      5.932809
  C     -11.146480      3.888867      6.177273
  C     -10.210583      3.455488      5.210719
  H      -2.717162      0.568974      2.546215
  H      -4.019633      1.760466      2.642272
  H      -4.447794      0.282028      4.962887
  H      -3.846836     -0.979943      3.873902
  H      -6.288528     -0.914851      3.715065
  H      -6.292539      0.853789      3.543510
  H      -6.296829      1.850538     -0.750838
  H      -5.113563     -2.357472     -2.184339
  H      -4.572720     -4.515384     -1.042442
  H      -4.592994     -4.657134      1.444623
  H      -5.131549     -2.668603      2.797667
  H      -4.281461      6.067488      5.899157
  H      -2.788532      6.554505      6.683510
  H      -2.232927      7.765387      4.408017
  H      -3.438433      8.485896      5.493248
  H      -4.160844      8.387357      3.045420
  H      -4.106854      6.630543      3.158508
  H      -7.330249      8.428262      6.962174
  H     -10.095722      6.263878      3.984679
  H      -9.786642      5.251896      1.713600
  H      -7.569093      5.367030      0.589116
  H      -5.656211      6.448395      1.715554
  H      -6.205160      2.482794      7.772654
  H      -6.302251      2.269057      6.018749
  H      -6.405628      4.952444      7.500166
  H      -6.332759      4.773802      5.737498
  H      -8.563866      3.575634      7.488700
  H      -8.641372      5.162095      6.729812
  H      -7.832692      2.293140      2.498529
  H     -12.418286      2.371365      2.811096
  H     -14.043805      3.150007      4.538892
  H     -13.217558      4.116124      6.680324
  H     -10.796303      4.324138      7.113510
  N      -5.007667      3.854125      3.850703
  H      -5.988618      3.558065      3.966081
  H      -4.941743      4.492512      3.054894
98
Coordinates from ORCA-job orca E -6204.343095253643
  N      -2.657840      1.881436      4.187328
  Mo     -3.491335      3.452453      5.068519
  N      -4.482188      3.054408      6.723516
  C      -3.721925      3.026619      7.971464
  C      -2.357284      2.394773      7.704509
  N      -1.739423      2.993546      6.493133
  C      -0.840735      2.034312      5.797959
  C      -1.672399      1.103503      4.936930
  C      -1.041767      4.277782      6.768334
  C      -1.118752      5.116545      5.487130
  N      -2.519094      5.212453      5.072327
  H      -1.010071      0.567745      4.239346
  H      -2.153128      0.333456      5.553621
  H      -0.176224      2.619767      5.149781
  H      -0.211540      1.485288      6.521209
  H      -0.678747      6.115651      5.654422
  H      -0.526872      4.642942      4.684795
  H      -1.592811      4.795477      7.570212
  H      -0.008885      4.094161      7.125827
  H      -4.246352      2.420360      8.733676
  H      -3.604308      4.041134      8.407483
  H      -2.510727      1.327427      7.495208
  H      -1.678445      2.484631      8.570233
  C      -3.401539      1.077461      3.217556
  C      -4.343887      0.040865      3.879789
  C      -5.743888     -0.015048      3.252582
  C      -5.762093     -0.120825      1.752698
  N      -6.065486      0.986099      1.073058
  C      -6.041006      0.921359     -0.284161
  N      -5.744384     -0.118958     -1.039636
  C      -5.447818     -1.276132     -0.367615
  C      -5.128869     -2.445000     -1.107233
  C      -4.841856     -3.628474     -0.448672
  C      -4.865903     -3.686157      0.962516
  C      -5.170102     -2.557910      1.709290
  C      -5.454282     -1.330605      1.065228
  C      -3.220100      6.343896      5.708155
  C      -3.225372      7.622406      4.855265
  C      -4.289327      7.547754      3.745637
  C      -5.714667      7.536315      4.268365
  N      -5.948994      8.069831      5.472254
  C      -7.218479      8.000492      5.953060
  N      -8.278501      7.434556      5.388439
  C      -8.070911      6.888461      4.147088
  C      -9.154588      6.267078      3.479722
  C      -8.966654      5.724047      2.228020
  C      -7.701527      5.781534      1.598376
  C      -6.624530      6.372975      2.230404
  C      -6.778309      6.934073      3.519535
  C      -5.942984      2.958091      6.826939
  C      -6.670030      4.296918      6.682187
  C      -8.192787      4.167414      6.613205
  C      -8.766482      3.558649      5.362685
  N      -7.951802      3.137815      4.400454
  C      -8.499716      2.601315      3.278705
  N      -9.776136      2.424641      3.020864
  C     -10.646743      2.851294      3.986932
  C     -12.035164      2.723456      3.766022
  C     -12.937736      3.179587      4.718322
  C     -12.484986      3.771561      5.918135
  C     -11.131197      3.899061      6.159900
  C     -10.184770      3.445714      5.204359
  H      -2.676587      0.558231      2.548358
  H      -3.999383      1.776238      2.588967
  H      -4.473915      0.314766      4.935151
  H      -3.883655     -0.950736      3.864380
  H      -6.298029     -0.863225      3.698668
  H      -6.283428      0.905748      3.514962
  H      -6.297448      1.850103     -0.807672
  H      -5.126769     -2.381152     -2.196749
  H      -4.596334     -4.528030     -1.024369
  H      -4.648373     -4.628519      1.466908
  H      -5.192254     -2.615037      2.799344
  H      -4.266259      6.062781      5.914577
  H      -2.766633      6.551901      6.697237
  H      -2.223174      7.758288      4.404060
  H      -3.426835      8.495697      5.505538
  H      -4.179627      8.389553      3.038490
  H      -4.113886      6.631331      3.148084
  H      -7.376504      8.466506      6.934087
  H     -10.125587      6.241692      3.979878
  H      -9.801098      5.241554      1.724001
  H      -7.577854      5.367346      0.606882
  H      -5.656058      6.431232      1.727564
  H      -6.207875      2.492818      7.794001
  H      -6.306765      2.278277      6.043867
  H      -6.410772      4.948704      7.526334
  H      -6.302686      4.784698      5.771626
  H      -8.563545      3.593080      7.477145
  H      -8.641961      5.168201      6.717395
  H      -7.784847      2.280972      2.509759
  H     -12.361203      2.265362      2.829573
  H     -14.008167      3.088216      4.541796
  H     -13.209851      4.133389      6.657454
  H     -10.792106      4.369587      7.085069
  N      -4.985340      3.873791      3.855343
  H      -5.983485      3.616275      3.968990
  H      -4.910715      4.488646      3.039373
98
Coordinates from ORCA-job orca E -6204.343855782691
  N      -2.630598      1.877592      4.185036
  Mo     -3.485731      3.441495      5.058537
  N      -4.478746      3.025365      6.705868
  C      -3.724342      3.006452      7.957895
  C      -2.351142      2.389667      7.699436
  N      -1.735971      2.995939      6.488457
  C      -0.823041      2.046256      5.798187
  C      -1.643673      1.096614      4.938569
  C      -1.054656      4.288905      6.767062
  C      -1.136970      5.128628      5.487083
  N      -2.537989      5.212782      5.067175
  H      -0.971130      0.552030      4.233619
  H      -2.127959      0.318511      5.569859
  H      -0.162755      2.639650      5.142710
  H      -0.186054      1.508324      6.530225
  H      -0.705592      6.129855      5.655729
  H      -0.538838      4.658750      4.687524
  H      -1.611815      4.799664      7.569101
  H      -0.020913      4.120906      7.123213
  H      -4.244401      2.396850      8.720240
  H      -3.618929      4.023362      8.390039
  H      -2.489281      1.319544      7.491940
  H      -1.680744      2.490149      8.571153
  C      -3.384435      1.069729      3.220896
  C      -4.317809      0.023422      3.876670
  C      -5.728895     -0.022494      3.255962
  C      -5.745404     -0.122620      1.757074
  N      -6.043417      0.989274      1.079847
  C      -6.015457      0.925785     -0.275245
  N      -5.730287     -0.112370     -1.030475
  C      -5.442385     -1.272294     -0.360691
  C      -5.139396     -2.436910     -1.099911
  C      -4.845972     -3.625621     -0.443463
  C      -4.851715     -3.692037      0.967371
  C      -5.145839     -2.567485      1.714053
  C      -5.439033     -1.333506      1.070714
  C      -3.246743      6.336945      5.707788
  C      -3.259575      7.621452      4.864144
  C      -4.300400      7.554975      3.752696
  C      -5.715186      7.540670      4.264878
  N      -5.948296      8.084353      5.458543
  C      -7.212192      8.025638      5.939927
  N      -8.270183      7.462546      5.381339
  C      -8.065910      6.909376      4.147683
  C      -9.154182      6.291671      3.485087
  C      -8.972216      5.724805      2.237893
  C      -7.707995      5.760893      1.606020
  C      -6.625845      6.356471      2.233601
  C      -6.775287      6.938764      3.520311
  C      -5.940316      2.931335      6.804494
  C      -6.665557      4.277868      6.663103
  C      -8.186751      4.153670      6.613457
  C      -8.766964      3.537176      5.363981
  N      -7.957406      3.103855      4.402832
  C      -8.516064      2.582837      3.280826
  N      -9.804349      2.441152      3.020505
  C     -10.667642      2.879640      3.987950
  C     -12.067417      2.790576      3.767552
  C     -12.961988      3.245836      4.722334
  C     -12.490870      3.802023      5.925208
  C     -11.127950      3.900563      6.166279
  C     -10.189351      3.446503      5.207563
  H      -2.671115      0.554424      2.549321
  H      -3.978075      1.763047      2.611072
  H      -4.438066      0.281379      4.936942
  H      -3.855927     -0.969483      3.844095
  H      -6.286550     -0.866102      3.696714
  H      -6.263635      0.898821      3.520643
  H      -6.266008      1.857686     -0.797568
  H      -5.147406     -2.366024     -2.189233
  H      -4.610241     -4.522569     -1.018510
  H      -4.625206     -4.639867      1.470343
  H      -5.154442     -2.629763      2.803480
  H      -4.289556      6.050611      5.911917
  H      -2.796252      6.540697      6.697404
  H      -2.268237      7.774064      4.430694
  H      -3.477719      8.477210      5.509512
  H      -4.191646      8.401477      3.050540
  H      -4.115845      6.647129      3.163282
  H      -7.366598      8.494417      6.915673
  H     -10.126122      6.282630      3.986724
  H      -9.810669      5.239703      1.736824
  H      -7.588459      5.322524      0.613513
  H      -5.657413      6.395261      1.727560
  H      -6.208738      2.463377      7.772515
  H      -6.303799      2.255351      6.016020
  H      -6.392279      4.938014      7.503622
  H      -6.308418      4.761247      5.741195
  H      -8.556949      3.583555      7.490004
  H      -8.626075      5.164737      6.715266
  H      -7.807327      2.256072      2.515856
  H     -12.407325      2.359400      2.829451
  H     -14.041014      3.181270      4.545925
  H     -13.208302      4.160236      6.667166
  H     -10.775522      4.344806      7.093977
  N      -5.002495      3.847032      3.849131
  H      -5.989689      3.571706      3.956756
  H      -4.922395      4.453931      3.036182
98
Coordinates from ORCA-job orca E -6204.343900923069
  N      -2.678005      1.875076      4.214625
  Mo     -3.496163      3.463435      5.067148
  N      -4.489297      3.076941      6.714433
  C      -3.731563      3.040827      7.965258
  C      -2.368816      2.402224      7.704098
  N      -1.745380      3.002015      6.494878
  C      -0.851767      2.041105      5.796063
  C      -1.688053      1.094579      4.954367
  C      -1.049945      4.286523      6.769195
  C      -1.126178      5.128545      5.489611
  N      -2.526045      5.222278      5.066028
  H      -1.033660      0.549529      4.249796
  H      -2.166399      0.323486      5.592655
  H      -0.202689      2.624019      5.130447
  H      -0.210072      1.503833      6.515982
  H      -0.686409      6.127288      5.655730
  H      -0.529363      4.653230      4.693934
  H      -1.597658      4.801078      7.571620
  H      -0.016588      4.110344      7.118898
  H      -4.260573      2.437924      8.726141
  H      -3.608321      4.054588      8.397513
  H      -2.526192      1.334832      7.493726
  H      -1.697949      2.488491      8.578047
  C      -3.434967      1.073155      3.245446
  C      -4.355194      0.008153      3.902400
  C      -5.764947     -0.059055      3.265238
  C      -5.754170     -0.145945      1.763449
  N      -6.052707      0.974898      1.098979
  C      -6.001493      0.926339     -0.256269
  N      -5.693537     -0.103832     -1.024329
  C      -5.408855     -1.270492     -0.368929
  C      -5.100861     -2.420890     -1.124395
  C      -4.829410     -3.613053     -0.486673
  C      -4.850452     -3.699664      0.924234
  C      -5.143589     -2.590776      1.687046
  C      -5.426903     -1.350063      1.061777
  C      -3.226369      6.354407      5.692503
  C      -3.220458      7.632566      4.844494
  C      -4.269337      7.563348      3.739311
  C      -5.685286      7.536726      4.257509
  N      -5.916715      8.053224      5.464334
  C      -7.175364      7.976642      5.949431
  N      -8.227819      7.416941      5.382102
  C      -8.024891      6.893922      4.131802
  C      -9.105234      6.273617      3.455001
  C      -8.924329      5.729278      2.188363
  C      -7.668273      5.797250      1.553709
  C      -6.595425      6.397569      2.196221
  C      -6.743305      6.948371      3.501438
  C      -5.949006      2.980435      6.811859
  C      -6.681798      4.317199      6.665465
  C      -8.200886      4.177038      6.623959
  C      -8.785213      3.555849      5.376891
  N      -7.973892      3.135471      4.404561
  C      -8.534394      2.607420      3.285509
  N      -9.824124      2.447305      3.032078
  C     -10.686421      2.872250      4.010144
  C     -12.082297      2.750413      3.799665
  C     -12.971764      3.168992      4.766180
  C     -12.502055      3.728668      5.972629
  C     -11.143566      3.863053      6.204041
  C     -10.207943      3.440248      5.232138
  H      -2.724104      0.575585      2.557011
  H      -4.042687      1.762025      2.651762
  H      -4.491369      0.278645      4.968222
  H      -3.872653     -0.992054      3.881990
  H      -6.315359     -0.915867      3.691900
  H      -6.320867      0.858035      3.529184
  H      -6.246523      1.863360     -0.764482
  H      -5.098150     -2.334261     -2.212761
  H      -4.599733     -4.495681     -1.075115
  H      -4.641237     -4.650753      1.413067
  H      -5.168493     -2.668193      2.775012
  H      -4.272379      6.076009      5.888390
  H      -2.780827      6.562455      6.682111
  H      -2.221853      7.770289      4.400583
  H      -3.422782      8.498747      5.490478
  H      -4.162237      8.413199      3.045213
  H      -4.086512      6.661777      3.143052
  H      -7.329447      8.421286      6.938313
  H     -10.069560      6.237943      3.960832
  H      -9.755939      5.234129      1.676192
  H      -7.544003      5.369284      0.546081
  H      -5.633614      6.456262      1.689370
  H      -6.213517      2.516139      7.775446
  H      -6.310857      2.305944      6.026691
  H      -6.406044      4.983076      7.498424
  H      -6.336028      4.796150      5.740504
  H      -8.559298      3.602327      7.498288
  H      -8.647377      5.182351      6.729611
  H      -7.824348      2.282261      2.511711
  H     -12.420809      2.314847      2.859490
  H     -14.045924      3.072980      4.596895
  H     -13.215167      4.055659      6.725033
  H     -10.791189      4.304711      7.134357
  N      -4.998993      3.863029      3.841226
  H      -5.982220      3.577037      3.960638
  H      -4.941034      4.491862      3.037245
98
Coordinates from ORCA-job orca E -6204.343793563512
  N      -2.667924      1.877376      4.181594
  Mo     -3.498012      3.454280      5.048745
  N      -4.487332      3.057360      6.697485
  C      -3.724810      3.024399      7.942922
  C      -2.363921      2.387896      7.675737
  N      -1.744339      2.992064      6.468234
  C      -0.847744      2.038583      5.767575
  C      -1.676997      1.094579      4.920554
  C      -1.049461      4.276183      6.745838
  C      -1.136344      5.119417      5.478392
  N      -2.536111      5.212715      5.063442
  H      -1.014574      0.555405      4.217067
  H      -2.159316      0.317218      5.554282
  H      -0.201531      2.626055      5.108473
  H      -0.206655      1.503245      6.483850
  H      -0.696805      6.116163      5.646490
  H      -0.547982      4.649314      4.681192
  H      -1.589529      4.784023      7.550553
  H      -0.016212      4.101978      7.086714
  H      -4.248200      2.420194      8.705385
  H      -3.602366      4.037641      8.375586
  H      -2.521232      1.321977      7.460243
  H      -1.690355      2.470765      8.547084
  C      -3.428079      1.071307      3.227219
  C      -4.330550      0.009587      3.893880
  C      -5.738951     -0.068886      3.273502
  C      -5.752252     -0.163900      1.774315
  N      -6.086924      0.946546      1.103314
  C      -6.072205      0.894957     -0.250184
  N      -5.756323     -0.131033     -1.011213
  C      -5.424006     -1.289812     -0.347636
  C      -5.086629     -2.440641     -1.093024
  C      -4.764152     -3.624403     -0.447450
  C      -4.767350     -3.701999      0.962009
  C      -5.089346     -2.592721      1.715103
  C      -5.416613     -1.362310      1.081426
  C      -3.229162      6.336969      5.700709
  C      -3.218759      7.615239      4.859088
  C      -4.276066      7.550724      3.756371
  C      -5.699780      7.554856      4.284359
  N      -5.924421      8.089305      5.487991
  C      -7.187138      8.028492      5.974735
  N      -8.250108      7.469949      5.415137
  C      -8.051686      6.929422      4.169929
  C      -9.133066      6.309502      3.502886
  C      -8.950242      5.752175      2.254188
  C      -7.691443      5.802509      1.623681
  C      -6.619267      6.402976      2.249527
  C      -6.767507      6.966786      3.539090
  C      -5.946598      2.958183      6.802183
  C      -6.685589      4.293867      6.651775
  C      -8.205612      4.156265      6.609684
  C      -8.793151      3.551134      5.362684
  N      -7.981535      3.120146      4.397531
  C      -8.542074      2.601894      3.273790
  N      -9.828062      2.450735      3.010787
  C     -10.690214      2.885235      3.981938
  C     -12.081956      2.775809      3.758750
  C     -12.976632      3.226749      4.714031
  C     -12.514813      3.801999      5.922384
  C     -11.157631      3.913591      6.167447
  C     -10.216689      3.458223      5.206746
  H      -2.726556      0.564506      2.539830
  H      -4.033625      1.756923      2.630006
  H      -4.452173      0.277381      4.961015
  H      -3.848176     -0.978556      3.865916
  H      -6.276566     -0.920103      3.710500
  H      -6.290072      0.840765      3.538595
  H      -6.346609      1.825091     -0.762723
  H      -5.100123     -2.360683     -2.180231
  H      -4.507132     -4.508258     -1.028466
  H      -4.519065     -4.645775      1.457420
  H      -5.094669     -2.663817      2.802531
  H      -4.273220      6.057358      5.904023
  H      -2.776880      6.539989      6.685610
  H      -2.216809      7.751676      4.410605
  H      -3.415917      8.478051      5.512902
  H      -4.149109      8.392576      3.054436
  H      -4.115714      6.631997      3.157431
  H      -7.335960      8.484091      6.962402
  H     -10.098150      6.284919      4.004500
  H      -9.782374      5.259646      1.753598
  H      -7.562763      5.364585      0.638003
  H      -5.656762      6.451879      1.745582
  H      -6.204680      2.502428      7.773667
  H      -6.310916      2.270992      6.025546
  H      -6.413125      4.960138      7.482532
  H      -6.341016      4.772477      5.726999
  H      -8.563760      3.577212      7.475357
  H      -8.651410      5.156348      6.721610
  H      -7.832022      2.264991      2.507937
  H     -12.415109      2.330209      2.816285
  H     -14.048560      3.145695      4.534156
  H     -13.233556      4.159345      6.665133
  H     -10.811002      4.367524      7.099118
  N      -5.010687      3.859913      3.838648
  H      -5.992644      3.573576      3.951588
  H      -4.956228      4.506421      3.053283
98
Coordinates from ORCA-job orca E -6204.343432331943
  N      -2.640147      1.879668      4.174515
  Mo     -3.494498      3.443854      5.062805
  N      -4.474997      3.036025      6.721416
  C      -3.712129      3.011409      7.965827
  C      -2.343659      2.386852      7.690662
  N      -1.738298      2.995510      6.474541
  C      -0.825926      2.045956      5.778163
  C      -1.646315      1.107829      4.909258
  C      -1.050596      4.286253      6.754888
  C      -1.137930      5.126956      5.481211
  N      -2.539158      5.208058      5.067399
  H      -0.986541      0.587567      4.199454
  H      -2.114030      0.324127      5.518769
  H      -0.162970      2.641584      5.132162
  H      -0.192878      1.500126      6.504216
  H      -0.705230      6.127775      5.650110
  H      -0.544723      4.661520      4.678120
  H      -1.603277      4.796448      7.557083
  H      -0.018276      4.114193      7.108180
  H      -4.228526      2.400905      8.731632
  H      -3.598498      4.027196      8.401441
  H      -2.492718      1.318400      7.480036
  H      -1.661081      2.477216      8.553017
  C      -3.394999      1.072683      3.217313
  C      -4.325083      0.022419      3.885464
  C      -5.733379     -0.044431      3.264293
  C      -5.751744     -0.143950      1.762106
  N      -6.058559      0.963239      1.084564
  C      -6.032463      0.901698     -0.273942
  N      -5.725795     -0.134767     -1.032979
  C      -5.425568     -1.290658     -0.363622
  C      -5.092416     -2.454310     -1.107238
  C      -4.800105     -3.636270     -0.450887
  C      -4.831599     -3.697563      0.962227
  C      -5.149582     -2.574360      1.713976
  C      -5.439252     -1.348128      1.071653
  C      -3.249382      6.327075      5.707965
  C      -3.260690      7.618014      4.875916
  C      -4.305024      7.565722      3.759637
  C      -5.731016      7.546236      4.269966
  N      -5.972949      8.079524      5.469932
  C      -7.239602      8.000557      5.946462
  N      -8.292115      7.427062      5.380045
  C      -8.080034      6.883553      4.141791
  C      -9.157435      6.253799      3.470920
  C      -8.963339      5.702275      2.221105
  C      -7.699100      5.762212      1.597673
  C      -6.628015      6.366673      2.232734
  C      -6.786869      6.935438      3.520411
  C      -5.932179      2.930020      6.827907
  C      -6.663064      4.274312      6.681534
  C      -8.186260      4.148328      6.621917
  C      -8.771781      3.542266      5.372747
  N      -7.967417      3.109817      4.411092
  C      -8.530961      2.599875      3.287817
  N      -9.818110      2.470750      3.026461
  C     -10.677422      2.910600      3.991598
  C     -12.074020      2.837391      3.766287
  C     -12.963344      3.300407      4.719800
  C     -12.488053      3.845106      5.924315
  C     -11.127216      3.925032      6.169738
  C     -10.194316      3.465217      5.213474
  H      -2.682386      0.559655      2.540573
  H      -3.994182      1.773807      2.608205
  H      -4.450930      0.290661      4.943348
  H      -3.855606     -0.965461      3.864483
  H      -6.279864     -0.897207      3.709579
  H      -6.279747      0.867386      3.529621
  H      -6.286147      1.827352     -0.794705
  H      -5.084520     -2.388334     -2.198707
  H      -4.543116     -4.531714     -1.030529
  H      -4.609063     -4.638769      1.465683
  H      -5.174636     -2.634934      2.805879
  H      -4.292445      6.035212      5.902048
  H      -2.805078      6.528047      6.700144
  H      -2.266713      7.773823      4.444448
  H      -3.480297      8.464928      5.530863
  H      -4.188743      8.421971      3.077469
  H      -4.119827      6.664791      3.152568
  H      -7.400384      8.462943      6.925380
  H     -10.129552      6.225265      3.965409
  H      -9.792835      5.211378      1.712840
  H      -7.571171      5.339730      0.606255
  H      -5.659862      6.427626      1.731777
  H      -6.191338      2.466092      7.802830
  H      -6.295757      2.240041      6.043490
  H      -6.393368      4.933798      7.526854
  H      -6.304987      4.759773      5.759531
  H      -8.555886      3.578686      7.490062
  H      -8.622859      5.153997      6.723629
  H      -7.822685      2.267618      2.518374
  H     -12.417114      2.414424      2.825942
  H     -14.039942      3.249905      4.540544
  H     -13.201604      4.210440      6.664361
  H     -10.771203      4.362421      7.098769
  N      -5.004447      3.862417      3.857817
  H      -5.990399      3.565333      3.983813
  H      -4.932115      4.468374      3.035745
98
Coordinates from ORCA-job orca E -6204.343665138295
  N      -2.674160      1.874566      4.211554
  Mo     -3.497482      3.456016      5.078606
  N      -4.493821      3.066931      6.729245
  C      -3.737661      3.031234      7.982323
  C      -2.374589      2.395118      7.722214
  N      -1.749838      2.992571      6.513087
  C      -0.853476      2.028974      5.820858
  C      -1.688819      1.093396      4.965592
  C      -1.055791      4.278553      6.788873
  C      -1.123168      5.119847      5.502107
  N      -2.523302      5.216392      5.075167
  H      -1.022280      0.549250      4.269034
  H      -2.176205      0.326978      5.596244
  H      -0.187713      2.609942      5.167458
  H      -0.226768      1.483444      6.550550
  H      -0.685069      6.120354      5.669183
  H      -0.522762      4.642551      4.704167
  H      -1.615747      4.796696      7.588266
  H      -0.022728      4.096243      7.153414
  H      -4.269195      2.426087      8.739912
  H      -3.617722      4.044154      8.419100
  H      -2.530196      1.327495      7.512521
  H      -1.701239      2.484460      8.594167
  C      -3.420344      1.076199      3.230602
  C      -4.359573      0.025027      3.873992
  C      -5.765050     -0.022889      3.243359
  C      -5.763321     -0.107208      1.744151
  N      -6.042037      1.014019      1.077853
  C      -5.988090      0.965487     -0.276930
  N      -5.693111     -0.068134     -1.041527
  C      -5.426790     -1.238389     -0.383122
  C      -5.121833     -2.399329     -1.132996
  C      -4.858545     -3.597707     -0.488998
  C      -4.890167     -3.678710      0.920685
  C      -5.183989     -2.558216      1.676680
  C      -5.452031     -1.314426      1.046097
  C      -3.233402      6.354768      5.694988
  C      -3.227759      7.632314      4.835419
  C      -4.265254      7.559763      3.718303
  C      -5.680987      7.533597      4.226477
  N      -5.917154      8.068929      5.424975
  C      -7.180474      7.995639      5.909243
  N      -8.233659      7.422501      5.349704
  C      -8.025534      6.880094      4.109359
  C      -9.110176      6.250477      3.445533
  C      -8.928590      5.696547      2.186598
  C      -7.666892      5.759099      1.545036
  C      -6.587418      6.362343      2.176554
  C      -6.737605      6.929106      3.475154
  C      -5.956531      2.984610      6.827662
  C      -6.674195      4.328623      6.678726
  C      -8.194813      4.203199      6.626693
  C      -8.771550      3.561310      5.385410
  N      -7.961686      3.137414      4.417876
  C      -8.515495      2.581451      3.307387
  N      -9.794631      2.392025      3.060562
  C     -10.656832      2.821460      4.033079
  C     -12.048669      2.683314      3.827756
  C     -12.943366      3.128899      4.787784
  C     -12.480919      3.722976      5.982670
  C     -11.125436      3.868340      6.208745
  C     -10.187562      3.427359      5.243118
  H      -2.694476      0.572257      2.558039
  H      -4.018405      1.769572      2.618130
  H      -4.492425      0.278267      4.931683
  H      -3.893847     -0.967354      3.841979
  H      -6.323476     -0.877801      3.674653
  H      -6.309727      0.897668      3.511269
  H      -6.225378      1.906403     -0.789027
  H      -5.109433     -2.316690     -2.220452
  H      -4.624557     -4.491260     -1.071931
  H      -4.687443     -4.634098      1.413515
  H      -5.214945     -2.631226      2.764421
  H      -4.282240      6.076175      5.885420
  H      -2.797169      6.563795      6.692204
  H      -2.230437      7.769838      4.400178
  H      -3.437784      8.503716      5.470359
  H      -4.163843      8.410947      3.018128
  H      -4.074591      6.657229      3.125491
  H      -7.341740      8.463211      6.886327
  H     -10.079236      6.222050      3.956415
  H      -9.765406      5.201928      1.684645
  H      -7.545933      5.333557      0.542091
  H      -5.620926      6.419297      1.664524
  H      -6.228275      2.520170      7.791740
  H      -6.324555      2.315243      6.040609
  H      -6.402147      4.990117      7.513516
  H      -6.313561      4.804859      5.758283
  H      -8.563777      3.644917      7.514373
  H      -8.641665      5.216464      6.711956
  H      -7.809742      2.261886      2.538044
  H     -12.382535      2.223223      2.896555
  H     -14.016437      3.026944      4.622043
  H     -13.198865      4.072598      6.729783
  H     -10.778693      4.340510      7.129194
  N      -4.996530      3.864851      3.857817
  H      -5.986751      3.597178      3.974039
  H      -4.925318      4.470189      3.037153
98
Coordinates from ORCA-job orca E -6204.343374548515
  N      -2.658774      1.873335      4.198591
  Mo     -3.494394      3.453452      5.050690
  N      -4.485461      3.050939      6.698409
  C      -3.731527      3.022608      7.949851
  C      -2.361721      2.397694      7.689327
  N      -1.741578      3.003092      6.482311
  C      -0.839694      2.052331      5.781526
  C      -1.669906      1.095697      4.944105
  C      -1.057587      4.292140      6.759146
  C      -1.142021      5.133042      5.484059
  N      -2.541378      5.219000      5.064994
  H      -1.010164      0.541063      4.238911
  H      -2.149055      0.324864      5.588872
  H      -0.197191      2.642571      5.109489
  H      -0.186792      1.520264      6.501051
  H      -0.707955      6.132646      5.652050
  H      -0.545202      4.662844      4.687145
  H      -1.606407      4.801352      7.563119
  H      -0.024110      4.125210      7.105510
  H      -4.254683      2.413685      8.710211
  H      -3.621342      4.037907      8.383428
  H      -2.505681      1.328749      7.478740
  H      -1.693935      2.491203      8.563510
  C      -3.411278      1.066120      3.231578
  C      -4.328760      0.006577      3.889335
  C      -5.739475     -0.057257      3.255605
  C      -5.739178     -0.159095      1.755419
  N      -6.047746      0.957940      1.082990
  C      -6.005087      0.898416     -0.271150
  N      -5.696780     -0.137197     -1.029754
  C      -5.401118     -1.299877     -0.366124
  C      -5.095591     -2.452791     -1.112355
  C      -4.816785     -3.640809     -0.466621
  C      -4.830265     -3.719703      0.943028
  C      -5.119314     -2.608288      1.697593
  C      -5.410584     -1.370685      1.063925
  C      -3.241324      6.343838      5.710043
  C      -3.224709      7.625900      4.870251
  C      -4.283113      7.562747      3.759732
  C      -5.705866      7.552413      4.277727
  N      -5.941274      8.080289      5.478792
  C      -7.205765      8.016195      5.954081
  N      -8.259527      7.459431      5.384760
  C      -8.050884      6.919249      4.144544
  C      -9.128368      6.300367      3.468895
  C      -8.938107      5.747670      2.217331
  C      -7.676193      5.801551      1.593256
  C      -6.604952      6.395346      2.233907
  C      -6.762745      6.959197      3.524614
  C      -5.945968      2.957080      6.800736
  C      -6.675687      4.297657      6.658115
  C      -8.198257      4.167944      6.618517
  C      -8.785778      3.558203      5.370417
  N      -7.973000      3.126613      4.399256
  C      -8.538802      2.605349      3.280451
  N      -9.835130      2.464013      3.027380
  C     -10.698760      2.900401      4.004109
  C     -12.099882      2.794226      3.793217
  C     -12.987587      3.217675      4.759547
  C     -12.511722      3.768327      5.965512
  C     -11.148817      3.889920      6.197234
  C     -10.213822      3.459354      5.225882
  H      -2.702876      0.563934      2.548934
  H      -4.016528      1.748665      2.632383
  H      -4.454475      0.275591      4.958084
  H      -3.852652     -0.994605      3.863300
  H      -6.288895     -0.905593      3.688216
  H      -6.286951      0.861882      3.515837
  H      -6.267171      1.835084     -0.788464
  H      -5.099781     -2.372277     -2.200305
  H      -4.590718     -4.525046     -1.048099
  H      -4.617821     -4.667631      1.437475
  H      -5.140012     -2.679360      2.784805
  H      -4.291023      6.069160      5.906332
  H      -2.791540      6.541592      6.703422
  H      -2.215408      7.750431      4.419636
  H      -3.415896      8.498720      5.529533
  H      -4.163359      8.406848      3.058253
  H      -4.108244      6.650991      3.159869
  H      -7.362734      8.466739      6.938078
  H     -10.098211      6.276175      3.963635
  H      -9.767053      5.259536      1.705574
  H      -7.547684      5.371643      0.596428
  H      -5.638951      6.443859      1.735943
  H      -6.210082      2.493556      7.765773
  H      -6.311347      2.283946      6.018272
  H      -6.397955      4.961088      7.490703
  H      -6.325387      4.776331      5.733362
  H      -8.563095      3.588815      7.489983
  H      -8.638715      5.175818      6.731259
  H      -7.827514      2.268269      2.506854
  H     -12.442775      2.364557      2.853112
  H     -14.065207      3.131332      4.590556
  H     -13.223005      4.097768      6.717433
  H     -10.791452      4.323794      7.127472
  N      -4.996159      3.849833      3.827276
  H      -5.984906      3.577907      3.932074
  H      -4.923329      4.480418      3.031646
98
Coordinates from ORCA-job orca E -6204.343397234678
  N      -2.667903      1.880200      4.184344
  Mo     -3.495673      3.456747      5.049664
  N      -4.484165      3.068789      6.699530
  C      -3.718846      3.030510      7.942312
  C      -2.360689      2.388428      7.674455
  N      -1.741850      2.993038      6.465828
  C      -0.845308      2.038534      5.764795
  C      -1.674640      1.096211      4.911227
  C      -1.044041      4.276754      6.744369
  C      -1.129842      5.123175      5.477794
  N      -2.529821      5.214231      5.061388
  H      -1.017431      0.568783      4.203474
  H      -2.151843      0.311710      5.533900
  H      -0.196371      2.626649      5.109756
  H      -0.207221      1.500973      6.481291
  H      -0.690806      6.120590      5.647557
  H      -0.539693      4.656618      4.679729
  H      -1.582981      4.784551      7.548996
  H      -0.010952      4.100869      7.085346
  H      -4.243059      2.428692      8.706272
  H      -3.588580      4.042719      8.374622
  H      -2.524070      1.323422      7.459429
  H      -1.685079      2.467301      8.545169
  C      -3.432798      1.074240      3.235213
  C      -4.338874      0.011684      3.906755
  C      -5.747266     -0.065824      3.284275
  C      -5.755411     -0.162160      1.782820
  N      -6.080754      0.947286      1.111369
  C      -6.062889      0.893067     -0.244501
  N      -5.753474     -0.133211     -1.007510
  C      -5.433311     -1.289486     -0.344015
  C      -5.098187     -2.440996     -1.091772
  C      -4.778587     -3.623173     -0.444812
  C      -4.784589     -3.697639      0.966727
  C      -5.107514     -2.587060      1.721949
  C      -5.427239     -1.359467      1.087752
  C      -3.229142      6.331429      5.694000
  C      -3.232148      7.620562      4.869611
  C      -4.275887      7.572979      3.766999
  C      -5.696545      7.555917      4.289736
  N      -5.924547      8.080470      5.497219
  C      -7.184420      8.008937      5.983409
  N      -8.241841      7.447990      5.418210
  C      -8.042378      6.920119      4.166655
  C      -9.121282      6.299766      3.490458
  C      -8.937622      5.748638      2.231206
  C      -7.681491      5.810361      1.602518
  C      -6.614364      6.419358      2.236617
  C      -6.760675      6.972011      3.536462
  C      -5.941012      2.960420      6.798294
  C      -6.685775      4.293484      6.642680
  C      -8.201952      4.144928      6.603269
  C      -8.792783      3.536889      5.360302
  N      -7.986712      3.109345      4.396185
  C      -8.548414      2.592689      3.274006
  N      -9.832455      2.443840      3.011586
  C     -10.691206      2.876488      3.981887
  C     -12.081723      2.772267      3.759380
  C     -12.973619      3.226625      4.715067
  C     -12.509527      3.799511      5.922065
  C     -11.152851      3.904313      6.166246
  C     -10.214695      3.445283      5.205860
  H      -2.730554      0.563143      2.546182
  H      -4.033999      1.768233      2.637510
  H      -4.466435      0.284378      4.975401
  H      -3.854258     -0.980796      3.884330
  H      -6.288570     -0.915864      3.724556
  H      -6.298316      0.848232      3.547360
  H      -6.320322      1.817208     -0.755411
  H      -5.108816     -2.364016     -2.180724
  H      -4.519924     -4.508802     -1.027176
  H      -4.536367     -4.640375      1.463005
  H      -5.112797     -2.655634      2.811187
  H      -4.268291      6.039053      5.888399
  H      -2.785028      6.533810      6.678127
  H      -2.239979      7.778341      4.435333
  H      -3.443302      8.461723      5.526640
  H      -4.151999      8.431925      3.091449
  H      -4.104982      6.676135      3.157205
  H      -7.333527      8.457233      6.975668
  H     -10.083975      6.264744      3.992298
  H      -9.765948      5.249767      1.723186
  H      -7.550351      5.370394      0.610620
  H      -5.654041      6.477465      1.732589
  H      -6.198962      2.506076      7.772702
  H      -6.301624      2.266101      6.019566
  H      -6.410879      4.965092      7.472200
  H      -6.350501      4.770417      5.713857
  H      -8.548716      3.568033      7.465122
  H      -8.650160      5.137222      6.715773
  H      -7.841897      2.258821      2.507757
  H     -12.417381      2.329591      2.817675
  H     -14.044860      3.150938      4.535794
  H     -13.226775      4.161847      6.665082
  H     -10.804338      4.357733      7.097020
  N      -5.016439      3.861013      3.837649
  H      -5.992745      3.558809      3.961243
  H      -4.979588      4.510402      3.046870
98
Coordinates from ORCA-job orca E -6204.344335485684
  N      -2.664887      1.876653      4.195233
  Mo     -3.497870      3.453416      5.070241
  N      -4.486682      3.059005      6.723883
  C      -3.726820      3.026941      7.972402
  C      -2.363671      2.393047      7.705680
  N      -1.746624      2.994061      6.494145
  C      -0.846777      2.035865      5.798824
  C      -1.675297      1.099323      4.941434
  C      -1.054100      4.280923      6.771072
  C      -1.131547      5.122170      5.493530
  N      -2.531250      5.211782      5.071263
  H      -1.010921      0.563797      4.241195
  H      -2.156236      0.326820      5.567597
  H      -0.186559      2.621190      5.147945
  H      -0.217514      1.492486      6.523387
  H      -0.696196      6.121956      5.662208
  H      -0.535100      4.651028      4.695124
  H      -1.607837      4.794367      7.571562
  H      -0.021706      4.103841      7.127270
  H      -4.252326      2.420844      8.733224
  H      -3.607689      4.040421      8.407653
  H      -2.518462      1.325454      7.495049
  H      -1.687025      2.481349      8.574080
  C      -3.414043      1.075342      3.223625
  C      -4.342612      0.018922      3.874952
  C      -5.751050     -0.036515      3.252821
  C      -5.758426     -0.124777      1.752854
  N      -6.051609      0.991201      1.082275
  C      -6.015403      0.940365     -0.273669
  N      -5.712973     -0.092317     -1.036249
  C      -5.425214     -1.257987     -0.373211
  C      -5.099895     -2.419438     -1.120098
  C      -4.821229     -3.611181     -0.472260
  C      -4.856593     -3.685905      0.938827
  C      -5.166982     -2.565562      1.692852
  C      -5.446904     -1.328599      1.057930
  C      -3.240713      6.341047      5.697157
  C      -3.233252      7.621879      4.848678
  C      -4.276258      7.559446      3.732988
  C      -5.698917      7.541463      4.244966
  N      -5.935969      8.076922      5.444440
  C      -7.200221      8.000429      5.927902
  N      -8.253390      7.425174      5.367809
  C      -8.044285      6.882825      4.127422
  C      -9.122896      6.249394      3.462188
  C      -8.935742      5.695982      2.209091
  C      -7.674866      5.761179      1.574491
  C      -6.601851      6.368247      2.204353
  C      -6.756154      6.934647      3.496740
  C      -5.946428      2.966368      6.828246
  C      -6.672877      4.309156      6.677141
  C      -8.194577      4.181632      6.626308
  C      -8.776377      3.551842      5.382895
  N      -7.967340      3.122672      4.417670
  C      -8.527096      2.587433      3.301685
  N      -9.811403      2.425005      3.046328
  C     -10.672038      2.860009      4.015840
  C     -12.066053      2.749130      3.799859
  C     -12.958672      3.200853      4.756288
  C     -12.491270      3.773806      5.957740
  C     -11.133044      3.891282      6.194458
  C     -10.196651      3.442822      5.232837
  H      -2.695642      0.571719      2.546948
  H      -4.015125      1.767602      2.616677
  H      -4.468936      0.272159      4.935399
  H      -3.874081     -0.969887      3.839622
  H      -6.303071     -0.889039      3.688757
  H      -6.294664      0.878408      3.521434
  H      -6.259789      1.875500     -0.787805
  H      -5.087548     -2.341906     -2.209052
  H      -4.571456     -4.504447     -1.053902
  H      -4.643300     -4.635627      1.435551
  H      -5.196109     -2.634935      2.782152
  H      -4.287390      6.057674      5.885272
  H      -2.805077      6.546909      6.692794
  H      -2.234708      7.761864      4.411798
  H      -3.441383      8.484622      5.493333
  H      -4.162791      8.413030      3.041555
  H      -4.093987      6.654956      3.129808
  H      -7.360930      8.466125      6.907114
  H     -10.091344      6.216891      3.966798
  H      -9.767590      5.198876      1.706572
  H      -7.548715      5.335540      0.579618
  H      -5.636328      6.428493      1.696699
  H      -6.209873      2.505953      7.798405
  H      -6.313379      2.285471      6.045527
  H      -6.400256      4.974547      7.512664
  H      -6.317197      4.785924      5.752370
  H      -8.563126      3.619454      7.508554
  H      -8.637314      5.192963      6.715995
  H      -7.819327      2.256964      2.533853
  H     -12.403490      2.304510      2.863087
  H     -14.033134      3.119979      4.582611
  H     -13.207516      4.128458      6.701453
  H     -10.782436      4.347411      7.120294
  N      -5.001161      3.865527      3.856180
  H      -5.985774      3.576787      3.979978
  H      -4.935154      4.480354      3.043178
98
Coordinates from ORCA-job orca E -6204.344381783113
  N      -2.653974      1.876290      4.191160
  Mo     -3.495338      3.448211      5.059543
  N      -4.484967      3.046424      6.711010
  C      -3.727055      3.014456      7.960380
  C      -2.359046      2.387619      7.694595
  N      -1.742649      2.995223      6.485086
  C      -0.836212      2.044534      5.786866
  C      -1.664297      1.097898      4.931489
  C      -1.056794      4.285274      6.764798
  C      -1.138116      5.129408      5.488203
  N      -2.538863      5.215526      5.069482
  H      -1.001333      0.560124      4.224984
  H      -2.142841      0.319422      5.558021
  H      -0.180117      2.637481      5.128351
  H      -0.194992      1.504361      6.513056
  H      -0.704865      6.130895      5.658447
  H      -0.540286      4.661544      4.687671
  H      -1.610684      4.794964      7.568123
  H      -0.023193      4.112824      7.118161
  H      -4.250117      2.404338      8.720596
  H      -3.612440      4.028556      8.397861
  H      -2.506835      1.319249      7.482217
  H      -1.684727      2.478143      8.564889
  C      -3.407335      1.071105      3.226475
  C      -4.334922      0.017916      3.884321
  C      -5.743388     -0.043638      3.255279
  C      -5.748214     -0.142784      1.755454
  N      -6.054256      0.972402      1.081694
  C      -6.011852      0.912393     -0.273605
  N      -5.703402     -0.125071     -1.031719
  C      -5.411955     -1.286501     -0.365981
  C      -5.103819     -2.443736     -1.110603
  C      -4.824562     -3.631187     -0.460822
  C      -4.841076     -3.704957      0.949358
  C      -5.134921     -2.588394      1.701682
  C      -5.423878     -1.353293      1.064756
  C      -3.246879      6.339568      5.708756
  C      -3.243444      7.628662      4.873810
  C      -4.286863      7.573628      3.755561
  C      -5.707632      7.550109      4.265273
  N      -5.947069      8.081246      5.464497
  C      -7.211534      8.009488      5.939462
  N      -8.263870      7.444503      5.370588
  C      -8.052528      6.904310      4.131412
  C      -9.131994      6.282328      3.456881
  C      -8.940180      5.727331      2.204502
  C      -7.674945      5.782161      1.579442
  C      -6.602784      6.382514      2.218456
  C      -6.761495      6.949092      3.510619
  C      -5.945859      2.953152      6.809756
  C      -6.670836      4.294403      6.666742
  C      -8.191865      4.168206      6.618583
  C      -8.779962      3.558551      5.373636
  N      -7.973054      3.127828      4.405719
  C      -8.535670      2.598772      3.288483
  N      -9.822264      2.444255      3.036268
  C     -10.682063      2.880644      4.009622
  C     -12.077214      2.770830      3.798533
  C     -12.966491      3.218103      4.760422
  C     -12.495336      3.788376      5.961395
  C     -11.136304      3.905825      6.193184
  C     -10.202039      3.457318      5.227033
  H      -2.694428      0.560712      2.551332
  H      -4.002443      1.764073      2.617607
  H      -4.460954      0.282494      4.947974
  H      -3.863965     -0.977860      3.858115
  H      -6.293371     -0.893673      3.692997
  H      -6.289174      0.874377      3.516933
  H      -6.271219      1.846480     -0.792625
  H      -5.105403     -2.366986     -2.198914
  H      -4.593696     -4.520224     -1.040509
  H      -4.627895     -4.651834      1.446688
  H      -5.156677     -2.656067      2.789792
  H      -4.294337      6.055924      5.899754
  H      -2.804360      6.537838      6.704609
  H      -2.242323      7.772326      4.439216
  H      -3.453504      8.487769      5.529578
  H      -4.173019      8.430127      3.067564
  H      -4.100962      6.673874      3.149741
  H      -7.371141      8.465447      6.920258
  H     -10.104247      6.257943      3.953232
  H      -9.770875      5.237127      1.694313
  H      -7.545372      5.352241      0.583590
  H      -5.634299      6.435609      1.718068
  H      -6.212956      2.488565      7.775691
  H      -6.312257      2.277697      6.024231
  H      -6.394174      4.950961      7.502984
  H      -6.318052      4.775315      5.747397
  H      -8.555140      3.596566      7.486901
  H      -8.631933      5.170912      6.726102
  H      -7.828750      2.269314      2.515924
  H     -12.417510      2.328315      2.861816
  H     -14.041199      3.135579      4.591062
  H     -13.209008      4.140695      6.709338
  H     -10.782570      4.358288      7.119170
  N      -5.002470      3.851189      3.840738
  H      -5.989884      3.576060      3.952967
  H      -4.930404      4.464367      3.027918
98
Coordinates from ORCA-job orca E -6204.344327771527
  N      -2.665520      1.876431      4.199332
  Mo     -3.494619      3.456967      5.056179
  N      -4.486357      3.064375      6.705921
  C      -3.729529      3.032894      7.954830
  C      -2.365668      2.398864      7.695531
  N      -1.742731      2.999313      6.489116
  C      -0.847133      2.043258      5.789766
  C      -1.678395      1.096793      4.945035
  C      -1.052058      4.285173      6.764767
  C      -1.133067      5.127114      5.490959
  N      -2.531291      5.215471      5.068316
  H      -1.017231      0.549659      4.245290
  H      -2.160644      0.326642      5.580538
  H      -0.198673      2.628234      5.127558
  H      -0.205992      1.506178      6.507933
  H      -0.698804      6.125947      5.660917
  H      -0.535881      4.658697      4.694932
  H      -1.599030      4.796168      7.567331
  H      -0.018955      4.112768      7.112851
  H      -4.256143      2.429254      8.715892
  H      -3.610597      4.046926      8.386572
  H      -2.518456      1.331402      7.485759
  H      -1.695966      2.488228      8.569133
  C      -3.414383      1.070876      3.230101
  C      -4.340036      0.016766      3.885891
  C      -5.748084     -0.034319      3.254774
  C      -5.749092     -0.136051      1.754206
  N      -6.038215      0.979327      1.081546
  C      -5.998742      0.920142     -0.272606
  N      -5.706412     -0.114583     -1.031644
  C      -5.425494     -1.277498     -0.367590
  C      -5.115501     -2.437159     -1.112387
  C      -4.833315     -3.628074     -0.463644
  C      -4.854951     -3.702086      0.946339
  C      -5.153983     -2.582980      1.698610
  C      -5.437399     -1.345909      1.062658
  C      -3.235864      6.339792      5.700142
  C      -3.222155      7.621744      4.859002
  C      -4.271138      7.563742      3.749911
  C      -5.693447      7.551613      4.267067
  N      -5.925586      8.084485      5.469132
  C      -7.189796      8.020214      5.950929
  N      -8.245443      7.456736      5.387980
  C      -8.040708      6.913141      4.145433
  C      -9.119589      6.285205      3.476810
  C      -8.934205      5.727945      2.223460
  C      -7.676093      5.787158      1.591431
  C      -6.604972      6.393034      2.222636
  C      -6.755293      6.958156      3.516371
  C      -5.945337      2.967599      6.808162
  C      -6.679053      4.309645      6.657019
  C      -8.199876      4.174060      6.613313
  C      -8.781144      3.545063      5.369269
  N      -7.969355      3.117436      4.402055
  C      -8.530115      2.586297      3.285464
  N      -9.819598      2.429483      3.030946
  C     -10.683108      2.861489      4.003570
  C     -12.080069      2.747076      3.790174
  C     -12.971433      3.180995      4.751448
  C     -12.502312      3.745857      5.954913
  C     -11.142286      3.871410      6.189197
  C     -10.204685      3.434166      5.222804
  H      -2.697125      0.563018      2.551427
  H      -4.015755      1.758353      2.621704
  H      -4.468739      0.282015      4.954127
  H      -3.870375     -0.984462      3.857473
  H      -6.306336     -0.877578      3.692708
  H      -6.287122      0.892087      3.514870
  H      -6.238368      1.853545     -0.787534
  H      -5.111826     -2.360618     -2.200392
  H      -4.593809     -4.520516     -1.043286
  H      -4.637244     -4.652235      1.443162
  H      -5.174762     -2.650313      2.786618
  H      -4.282744      6.057558      5.890463
  H      -2.795589      6.543134      6.692838
  H      -2.219371      7.755274      4.415080
  H      -3.418836      8.486128      5.511078
  H      -4.149747      8.414645      3.059009
  H      -4.096117      6.660100      3.146862
  H      -7.344762      8.477920      6.935480
  H     -10.085027      6.254910      3.979705
  H      -9.763270      5.229931      1.718854
  H      -7.549227      5.349449      0.597819
  H      -5.642061      6.445229      1.717899
  H      -6.208564      2.507294      7.778986
  H      -6.309885      2.286976      6.025671
  H      -6.406618      4.980730      7.489633
  H      -6.328297      4.786300      5.727963
  H      -8.563974      3.604625      7.493338
  H      -8.645924      5.184136      6.711056
  H      -7.822131      2.254030      2.517763
  H     -12.418836      2.308213      2.852001
  H     -14.046934      3.092506      4.579874
  H     -13.217560      4.085687      6.702968
  H     -10.789990      4.318638      7.117156
  N      -5.001349      3.857607      3.837622
  H      -5.989182      3.581452      3.952045
  H      -4.945006      4.495243      3.040075
98
Coordinates from ORCA-job orca E -6204.344481013810
  N      -2.663366      1.879985      4.195404
  Mo     -3.493812      3.459432      5.064725
  N      -4.483670      3.062747      6.714743
  C      -3.725776      3.027335      7.964188
  C      -2.361437      2.395551      7.697676
  N      -1.743399      3.000756      6.488468
  C      -0.842827      2.046803      5.788351
  C      -1.671315      1.103388      4.938598
  C      -1.053785      4.288378      6.767538
  C      -1.134489      5.133519      5.493385
  N      -2.533780      5.220115      5.070991
  H      -1.008327      0.564385      4.236746
  H      -2.150030      0.330382      5.571594
  H      -0.191943      2.635671      5.129830
  H      -0.203289      1.508156      6.508741
  H      -0.701568      6.133979      5.665042
  H      -0.536333      4.666338      4.694681
  H      -1.605612      4.797756      7.570418
  H      -0.020803      4.114537      7.119293
  H      -4.251365      2.418631      8.723225
  H      -3.608074      4.039971      8.401359
  H      -2.513690      1.328145      7.484539
  H      -1.687812      2.482616      8.568422
  C      -3.413781      1.078558      3.225073
  C      -4.332233      0.015578      3.875748
  C      -5.744272     -0.040959      3.260022
  C      -5.756134     -0.135323      1.759483
  N      -6.052308      0.979798      1.085156
  C      -6.023443      0.924069     -0.271949
  N      -5.726683     -0.111445     -1.032503
  C      -5.436626     -1.275494     -0.365712
  C      -5.119718     -2.438074     -1.111052
  C      -4.842743     -3.627314     -0.460806
  C      -4.870477     -3.699032      0.952074
  C      -5.170800     -2.578267      1.704561
  C      -5.450050     -1.342676      1.066850
  C      -3.244448      6.342930      5.702664
  C      -3.234636      7.628769      4.866568
  C      -4.275581      7.571778      3.750729
  C      -5.698954      7.548883      4.261829
  N      -5.938718      8.076434      5.463865
  C      -7.202014      7.995987      5.944130
  N      -8.251760      7.423528      5.377738
  C      -8.039291      6.889028      4.134040
  C      -9.113121      6.258088      3.460059
  C      -8.921541      5.710037      2.204107
  C      -7.660909      5.780277      1.575640
  C      -6.593279      6.387641      2.213384
  C      -6.752313      6.946314      3.508084
  C      -5.942854      2.965364      6.815427
  C      -6.674026      4.302563      6.667112
  C      -8.194183      4.166862      6.620595
  C      -8.778069      3.546411      5.375209
  N      -7.967523      3.123340      4.407153
  C      -8.528063      2.596014      3.288252
  N      -9.814037      2.436917      3.030635
  C     -10.675863      2.866373      4.003548
  C     -12.070258      2.755021      3.786552
  C     -12.963152      3.196179      4.746765
  C     -12.496764      3.761896      5.953468
  C     -11.138239      3.880014      6.191233
  C     -10.200228      3.438835      5.225493
  H      -2.701879      0.580203      2.544432
  H      -4.017096      1.765798      2.626442
  H      -4.452092      0.265081      4.940231
  H      -3.861254     -0.973828      3.832881
  H      -6.294937     -0.889655      3.699497
  H      -6.283998      0.876079      3.527958
  H      -6.266858      1.857605     -0.788031
  H      -5.114221     -2.362744     -2.201324
  H      -4.601925     -4.520513     -1.041236
  H      -4.658913     -4.647250      1.450762
  H      -5.194388     -2.644991      2.794835
  H      -4.290519      6.057359      5.885650
  H      -2.811315      6.542394      6.699159
  H      -2.234747      7.771271      4.432722
  H      -3.443451      8.486465      5.517067
  H      -4.159670      8.429049      3.066079
  H      -4.092620      6.671055      3.142137
  H      -7.364602      8.454456      6.926817
  H     -10.081316      6.220928      3.960057
  H      -9.749363      5.212511      1.694747
  H      -7.529410      5.354959      0.579158
  H      -5.628493      6.451422      1.710815
  H      -6.205338      2.504260      7.781754
  H      -6.307247      2.286797      6.032828
  H      -6.399868      4.967373      7.500607
  H      -6.324688      4.780513      5.743341
  H      -8.556178      3.596000      7.495098
  H      -8.640005      5.171608      6.721164
  H      -7.818100      2.266108      2.517827
  H     -12.406987      2.316018      2.845877
  H     -14.037241      3.113376      4.572192
  H     -13.213284      4.108362      6.700415
  H     -10.788085      4.328477      7.121366
  N      -4.993601      3.868359      3.843854
  H      -5.978041      3.577873      3.964488
  H      -4.926148      4.493509      3.040618
98
Coordinates from ORCA-job orca E -6204.344135318615
  N      -2.666513      1.865953      4.194703
  Mo     -3.506381      3.436281      5.066263
  N      -4.493614      3.051121      6.724172
  C      -3.729342      3.023099      7.969980
  C      -2.368796      2.383115      7.705717
  N      -1.752887      2.979099      6.490731
  C      -0.851357      2.018692      5.802428
  C      -1.678059      1.084236      4.933774
  C      -1.058236      4.266365      6.764475
  C      -1.133688      5.103830      5.485060
  N      -2.534939      5.194179      5.065228
  H      -1.013436      0.557631      4.228390
  H      -2.161069      0.302593      5.549890
  H      -0.180787      2.602611      5.159362
  H      -0.232442      1.472870      6.534862
  H      -0.697217      6.103840      5.650666
  H      -0.538678      4.629784      4.687717
  H      -1.610836      4.783390      7.562953
  H      -0.026211      4.087666      7.121173
  H      -4.254318      2.424684      8.735571
  H      -3.603319      4.038171      8.398955
  H      -2.527682      1.315153      7.499152
  H      -1.689724      2.473508      8.572878
  C      -3.420975      1.062296      3.229770
  C      -4.356257      0.006523      3.884766
  C      -5.760214     -0.058430      3.244609
  C      -5.748763     -0.135687      1.746494
  N      -6.063836      0.984123      1.082546
  C      -6.013356      0.942825     -0.270148
  N      -5.678991     -0.081474     -1.034784
  C      -5.372900     -1.248128     -0.378500
  C      -5.030407     -2.394852     -1.128648
  C      -4.743132     -3.585989     -0.489381
  C      -4.783653     -3.674283      0.917019
  C      -5.108522     -2.568254      1.675366
  C      -5.404804     -1.330927      1.048558
  C      -3.240324      6.327591      5.687704
  C      -3.234884      7.608386      4.836551
  C      -4.282769      7.555913      3.720066
  C      -5.703419      7.539156      4.234821
  N      -5.936753      8.087377      5.428866
  C      -7.200262      8.020330      5.912872
  N      -8.257229      7.445939      5.357859
  C      -8.052788      6.893858      4.122740
  C      -9.137255      6.265732      3.462516
  C      -8.953769      5.699975      2.215223
  C      -7.690872      5.748860      1.580241
  C      -6.613629      6.353987      2.204011
  C      -6.763331      6.931907      3.492232
  C      -5.954696      2.967481      6.830549
  C      -6.675140      4.316651      6.671306
  C      -8.196197      4.201418      6.627805
  C      -8.788219      3.566712      5.395387
  N      -7.986371      3.114345      4.435358
  C      -8.553007      2.569576      3.328127
  N      -9.839537      2.415248      3.079494
  C     -10.692952      2.873182      4.044517
  C     -12.087346      2.767545      3.836101
  C     -12.972318      3.239701      4.788179
  C     -12.496473      3.829044      5.977361
  C     -11.137339      3.941750      6.206910
  C     -10.208767      3.470463      5.250322
  H      -2.699212      0.547759      2.555999
  H      -4.012597      1.763818      2.612876
  H      -4.494931      0.268720      4.945350
  H      -3.880553     -0.986751      3.863693
  H      -6.307801     -0.917505      3.668041
  H      -6.318289      0.849399      3.509600
  H      -6.281372      1.879341     -0.781043
  H      -5.015407     -2.306023     -2.214015
  H      -4.486102     -4.466954     -1.074211
  H      -4.564926     -4.623142      1.406621
  H      -5.145462     -2.647959      2.760819
  H      -4.287174      6.045666      5.881034
  H      -2.799954      6.537071      6.681509
  H      -2.236318      7.749856      4.396857
  H      -3.441313      8.468818      5.487989
  H      -4.167039      8.416340      3.035226
  H      -4.103725      6.657095      3.108764
  H      -7.355396      8.489501      6.890209
  H     -10.107463      6.245576      3.966736
  H      -9.789036      5.204769      1.717384
  H      -7.566539      5.311580      0.589453
  H      -5.646828      6.402632      1.694571
  H      -6.220145      2.515236      7.808774
  H      -6.327122      2.278527      6.052036
  H      -6.393462      4.985045      7.501689
  H      -6.323253      4.785547      5.741382
  H      -8.563188      3.654484      7.513522
  H      -8.627975      5.213478      6.708441
  H      -7.850412      2.223741      2.564072
  H     -12.431586      2.309809      2.908432
  H     -14.047009      3.160995      4.620277
  H     -13.206405      4.199957      6.717539
  H     -10.779779      4.409817      7.123314
  N      -5.024208      3.842152      3.858106
  H      -5.996229      3.539465      3.985967
  H      -4.974274      4.444164      3.035566
98
Coordinates from ORCA-job orca E -6204.344508926229
  N      -2.659152      1.878142      4.191413
  Mo     -3.496932      3.453030      5.058861
  N      -4.485057      3.053065      6.711364
  C      -3.727231      3.019185      7.959587
  C      -2.360574      2.390939      7.693095
  N      -1.743139      2.998110      6.485592
  C      -0.840515      2.047286      5.784187
  C      -1.670151      1.100593      4.933910
  C      -1.056195      4.286711      6.765281
  C      -1.139130      5.131765      5.491786
  N      -2.538440      5.216954      5.071794
  H      -1.008238      0.558993      4.230787
  H      -2.148844      0.325896      5.562670
  H      -0.189368      2.638833      5.123503
  H      -0.196249      1.507784      6.504841
  H      -0.707215      6.132683      5.664409
  H      -0.541182      4.667104      4.691747
  H      -1.606975      4.795303      7.569330
  H      -0.022654      4.114448      7.116080
  H      -4.250907      2.408966      8.719252
  H      -3.611756      4.032775      8.397702
  H      -2.509702      1.323134      7.480202
  H      -1.686516      2.479744      8.563439
  C      -3.407761      1.073336      3.223957
  C      -4.336640      0.022343      3.880495
  C      -5.744486     -0.030669      3.252901
  C      -5.752291     -0.135390      1.752610
  N      -6.043258      0.978008      1.077643
  C      -6.001158      0.914397     -0.277490
  N      -5.705384     -0.124578     -1.034444
  C      -5.426466     -1.285193     -0.367737
  C      -5.121445     -2.446826     -1.110602
  C      -4.841096     -3.635860     -0.457818
  C      -4.857948     -3.706052      0.952676
  C      -5.153476     -2.584270      1.702973
  C      -5.438757     -1.348551      1.063403
  C      -3.247952      6.339071      5.708725
  C      -3.236849      7.628338      4.875585
  C      -4.277319      7.576684      3.756895
  C      -5.700524      7.556951      4.264706
  N      -5.940415      8.088763      5.464423
  C      -7.205763      8.017369      5.939579
  N      -8.257671      7.450152      5.371983
  C      -8.046050      6.906893      4.133384
  C      -9.123334      6.276735      3.462446
  C      -8.930554      5.717810      2.211458
  C      -7.667344      5.777136      1.584457
  C      -6.597357      6.385350      2.219260
  C      -6.755519      6.954532      3.510728
  C      -5.944731      2.956563      6.812572
  C      -6.672781      4.298144      6.669013
  C      -8.194883      4.169423      6.617088
  C      -8.778238      3.552407      5.371408
  N      -7.969324      3.124735      4.403544
  C      -8.530188      2.593554      3.286280
  N      -9.816305      2.435515      3.033465
  C     -10.678242      2.867602      4.006278
  C     -12.073222      2.754461      3.793755
  C     -12.964249      3.197964      4.755611
  C     -12.495094      3.767011      5.957685
  C     -11.136258      3.888036      6.190785
  C     -10.200227      3.444568      5.224565
  H      -2.691783      0.564086      2.549155
  H      -4.004738      1.764270      2.613620
  H      -4.461425      0.285725      4.946142
  H      -3.870302     -0.975458      3.851184
  H      -6.300210     -0.875159      3.694926
  H      -6.282712      0.893514      3.513414
  H      -6.246027      1.846881     -0.796544
  H      -5.120359     -2.373752     -2.199205
  H      -4.606608     -4.529666     -1.035852
  H      -4.641528     -4.654667      1.452392
  H      -5.173374     -2.648775      2.791593
  H      -4.296297      6.055142      5.893527
  H      -2.810895      6.536152      6.706305
  H      -2.234016      7.768261      4.442391
  H      -3.443397      8.488030      5.530022
  H      -4.157151      8.433589      3.072171
  H      -4.093513      6.677550      3.149988
  H      -7.366192      8.475036      6.919942
  H     -10.093714      6.248109      3.960760
  H      -9.758904      5.220714      1.704353
  H      -7.537130      5.342820      0.591374
  H      -5.630207      6.440320      1.717125
  H      -6.209764      2.491998      7.779875
  H      -6.310762      2.279931      6.027564
  H      -6.400935      4.956713      7.506969
  H      -6.316573      4.780723      5.749062
  H      -8.561601      3.598670      7.489425
  H      -8.637817      5.175580      6.719600
  H      -7.823579      2.266133      2.514538
  H     -12.412116      2.312985      2.856165
  H     -14.039007      3.113491      4.585134
  H     -13.210451      4.116408      6.705656
  H     -10.784058      4.340366      7.117627
  N      -5.002101      3.856663      3.840592
  H      -5.994555      3.589065      3.952577
  H      -4.932983      4.480410      3.032817
98
Coordinates from ORCA-job orca E -6204.344489131551
  N      -2.665731      1.878850      4.200556
  Mo     -3.493335      3.459184      5.063624
  N      -4.485200      3.067556      6.713393
  C      -3.728257      3.032672      7.963428
  C      -2.365047      2.398103      7.701266
  N      -1.744049      3.000121      6.492637
  C      -0.845294      2.044218      5.794351
  C      -1.674172      1.100803      4.944617
  C      -1.054098      4.287329      6.770099
  C      -1.132519      5.131586      5.494568
  N      -2.531536      5.218520      5.069904
  H      -1.010008      0.560609      4.243334
  H      -2.154655      0.328028      5.578890
  H      -0.192843      2.630642      5.135957
  H      -0.208180      1.505661      6.515983
  H      -0.700380      6.132169      5.666196
  H      -0.532090      4.663697      4.697507
  H      -1.606018      4.798094      7.572211
  H      -0.021105      4.113351      7.122262
  H      -4.255705      2.427358      8.723094
  H      -3.608440      4.045376      8.397951
  H      -2.518547      1.330722      7.490027
  H      -1.693770      2.486118      8.573897
  C      -3.415236      1.076790      3.228300
  C      -4.333103      0.012053      3.876193
  C      -5.744204     -0.044226      3.254441
  C      -5.750080     -0.137692      1.753838
  N      -6.049206      0.979861      1.080367
  C      -6.018112      0.925914     -0.276128
  N      -5.719108     -0.108275     -1.036949
  C      -5.427569     -1.274044     -0.371456
  C      -5.112153     -2.434253     -1.117879
  C      -4.840051     -3.624226     -0.470268
  C      -4.871022     -3.698774      0.941801
  C      -5.166939     -2.580881      1.695534
  C      -5.441595     -1.344465      1.060296
  C      -3.241613      6.342392      5.699955
  C      -3.229733      7.627404      4.862838
  C      -4.272879      7.572916      3.748088
  C      -5.695861      7.549848      4.261108
  N      -5.934612      8.083009      5.461815
  C      -7.198330      8.008156      5.942395
  N      -8.248412      7.434689      5.377930
  C      -8.036391      6.894133      4.135002
  C      -9.109668      6.262409      3.461855
  C      -8.918805      5.711102      2.207034
  C      -7.659357      5.779281      1.578449
  C      -6.592752      6.387705      2.214732
  C      -6.750420      6.948378      3.508506
  C      -5.944462      2.972389      6.813434
  C      -6.676474      4.311012      6.659132
  C      -8.195409      4.173416      6.617285
  C      -8.779548      3.541682      5.376656
  N      -7.969519      3.112112      4.410953
  C      -8.531470      2.579155      3.296312
  N      -9.819624      2.421063      3.040724
  C     -10.680817      2.857322      4.011804
  C     -12.077159      2.746529      3.797693
  C     -12.968642      3.190242      4.756485
  C     -12.499887      3.760170      5.959211
  C     -11.139974      3.880020      6.194129
  C     -10.202588      3.433980      5.229619
  H      -2.700959      0.577964      2.547286
  H      -4.017931      1.764399      2.628175
  H      -4.457139      0.262445      4.942623
  H      -3.859204     -0.980193      3.834920
  H      -6.296265     -0.892767      3.690965
  H      -6.285643      0.874923      3.520365
  H      -6.265935      1.861384     -0.791184
  H      -5.105658     -2.356065     -2.207426
  H      -4.602413     -4.515618     -1.051446
  H      -4.665237     -4.647337      1.437856
  H      -5.193753     -2.649348      2.784967
  H      -4.288259      6.057555      5.883546
  H      -2.808287      6.542657      6.696314
  H      -2.228464      7.767712      4.425991
  H      -3.434792      8.485919      5.515399
  H      -4.156241      8.431983      3.065506
  H      -4.091507      6.675433      3.136633
  H      -7.360215      8.470063      6.925133
  H     -10.076647      6.226507      3.961867
  H      -9.745530      5.211935      1.698619
  H      -7.527461      5.348983      0.583217
  H      -5.629472      6.448979      1.712789
  H      -6.207627      2.514964      7.782596
  H      -6.309190      2.291469      6.032357
  H      -6.401056      4.982884      7.488971
  H      -6.329538      4.784288      5.730303
  H      -8.555722      3.608489      7.497792
  H      -8.641580      5.180118      6.711310
  H      -7.822976      2.243233      2.529524
  H     -12.415933      2.304268      2.860363
  H     -14.043850      3.106071      4.583956
  H     -13.215138      4.107837      6.705430
  H     -10.787896      4.330959      7.121202
  N      -4.996764      3.864559      3.843123
  H      -5.978464      3.570662      3.963083
  H      -4.936958      4.493393      3.042355
98
Coordinates from ORCA-job orca E -6204.344583133515
  N      -2.664469      1.872439      4.196114
  Mo     -3.500942      3.448983      5.062588
  N      -4.488869      3.056528      6.715511
  C      -3.729206      3.024069      7.963884
  C      -2.365289      2.390701      7.698381
  N      -1.748260      2.993494      6.487702
  C      -0.846448      2.039076      5.791120
  C      -1.674027      1.095212      4.937161
  C      -1.058870      4.281655      6.764827
  C      -1.139034      5.123706      5.489539
  N      -2.538689      5.209546      5.068350
  H      -1.011519      0.558344      4.233211
  H      -2.153135      0.319049      5.565759
  H      -0.191219      2.627678      5.135353
  H      -0.210625      1.499527      6.515186
  H      -0.706531      6.124378      5.659540
  H      -0.541595      4.655436      4.691580
  H      -1.610340      4.792890      7.566446
  H      -0.026158      4.108084      7.117024
  H      -4.254298      2.418533      8.725055
  H      -3.609705      4.037951      8.398128
  H      -2.518069      1.322785      7.487495
  H      -1.690217      2.479944      8.568108
  C      -3.414300      1.069103      3.227367
  C      -4.341784      0.009918      3.879392
  C      -5.751291     -0.045453      3.253274
  C      -5.753220     -0.135039      1.753700
  N      -6.048456      0.981867      1.084422
  C      -6.007445      0.930412     -0.270388
  N      -5.701894     -0.100571     -1.032692
  C      -5.413528     -1.265398     -0.371100
  C      -5.088775     -2.421844     -1.118287
  C      -4.804614     -3.613484     -0.472153
  C      -4.835705     -3.692620      0.937802
  C      -5.147357     -2.576996      1.692320
  C      -5.434336     -1.339194      1.058969
  C      -3.247887      6.334996      5.697998
  C      -3.233688      7.620498      4.859712
  C      -4.275822      7.569118      3.741864
  C      -5.699074      7.548197      4.251974
  N      -5.938429      8.083453      5.450664
  C      -7.202061      8.007342      5.930380
  N      -8.253042      7.434206      5.366333
  C      -8.041776      6.892827      4.126507
  C      -9.118472      6.262484      3.456036
  C      -8.928176      5.707762      2.203433
  C      -7.666161      5.770813      1.574078
  C      -6.595636      6.377209      2.208826
  C      -6.753058      6.943032      3.501096
  C      -5.949167      2.965626      6.818799
  C      -6.674625      4.308111      6.668831
  C      -8.195973      4.183075      6.624604
  C      -8.784614      3.558594      5.384684
  N      -7.977280      3.122374      4.418264
  C      -8.541344      2.586830      3.304693
  N      -9.828842      2.430382      3.052503
  C     -10.687543      2.872675      4.023826
  C     -12.082273      2.760854      3.812554
  C     -12.970415      3.209385      4.771851
  C     -12.498948      3.784256      5.971366
  C     -11.140224      3.904669      6.203475
  C     -10.207060      3.454803      5.239169
  H      -2.697869      0.563951      2.550684
  H      -4.012038      1.760719      2.620493
  H      -4.468109      0.265146      4.943880
  H      -3.871459     -0.984519      3.844294
  H      -6.303649     -0.895932      3.686427
  H      -6.295311      0.870367      3.519703
  H      -6.251878      1.864391     -0.783639
  H      -5.078886     -2.341051     -2.206371
  H      -4.555721     -4.502368     -1.054103
  H      -4.616943     -4.642951      1.433351
  H      -5.174548     -2.649438      2.780318
  H      -4.295361      6.051919      5.880197
  H      -2.814889      6.535478      6.695440
  H      -2.231785      7.759921      4.425097
  H      -3.439656      8.479977      5.512838
  H      -4.156172      8.429305      3.060334
  H      -4.094145      6.670520      3.130028
  H      -7.362784      8.468142      6.911255
  H     -10.088067      6.231332      3.955818
  H      -9.757704      5.210672      1.696832
  H      -7.536638      5.341103      0.578451
  H      -5.629677      6.435704      1.704765
  H      -6.213291      2.507005      7.788632
  H      -6.317385      2.285220      6.037674
  H      -6.396025      4.972186      7.501460
  H      -6.323889      4.783391      5.743526
  H      -8.561176      3.621673      7.502998
  H      -8.634093      5.191451      6.718297
  H      -7.833408      2.248406      2.534552
  H     -12.422830      2.313944      2.877191
  H     -14.044490      3.124194      4.601878
  H     -13.211312      4.135740      6.717497
  H     -10.785899      4.359828      7.128102
  N      -5.005696      3.853087      3.843573
  H      -5.986472      3.560345      3.964942
  H      -4.942399      4.466627      3.030840
98
Coordinates from ORCA-job orca E -6204.344426982229
  N      -2.661746      1.879207      4.190834
  Mo     -3.497007      3.452785      5.061311
  N      -4.483767      3.056097      6.716516
  C      -3.723792      3.021749      7.962420
  C      -2.359520      2.390577      7.694634
  N      -1.742460      2.995938      6.486639
  C      -0.842114      2.043290      5.785468
  C      -1.671777      1.100862      4.932787
  C      -1.053107      4.283590      6.765653
  C      -1.136598      5.129404      5.493355
  N      -2.535566      5.214616      5.073407
  H      -1.008719      0.562407      4.230820
  H      -2.151220      0.325583      5.558581
  H      -0.188716      2.632428      5.128549
  H      -0.202161      1.501733      6.505039
  H      -0.704972      6.130195      5.667219
  H      -0.538936      4.666227      4.692851
  H      -1.602317      4.792751      7.570027
  H      -0.019531      4.109418      7.115812
  H      -4.247129      2.413339      8.723311
  H      -3.605110      4.034865      8.399796
  H      -2.512127      1.323423      7.482253
  H      -1.683833      2.477751      8.563848
  C      -3.409498      1.075160      3.222769
  C      -4.337117      0.023890      3.876902
  C      -5.742852     -0.028657      3.248302
  C      -5.749989     -0.133895      1.748062
  N      -6.048773      0.979817      1.071655
  C      -6.008558      0.915946     -0.284026
  N      -5.703466     -0.125110     -1.039742
  C      -5.417630     -1.286010     -0.371321
  C      -5.111931     -2.447948     -1.113151
  C      -4.839089     -3.634672     -0.459649
  C      -4.858923     -3.703240      0.950864
  C      -5.151353     -2.581332      1.700647
  C      -5.433581     -1.347200      1.059987
  C      -3.246846      6.335540      5.708385
  C      -3.239349      7.626532      4.876265
  C      -4.279076      7.580885      3.755792
  C      -5.702783      7.559155      4.262658
  N      -5.942863      8.090778      5.461716
  C      -7.208286      8.018466      5.937110
  N      -8.260292      7.449369      5.371412
  C      -8.049088      6.905998      4.134305
  C      -9.126624      6.272301      3.467106
  C      -8.933772      5.709639      2.217957
  C      -7.670239      5.768255      1.589439
  C      -6.600708      6.381559      2.219408
  C      -6.758207      6.954840      3.509875
  C      -5.942599      2.958788      6.819262
  C      -6.671529      4.301267      6.668382
  C      -8.193485      4.173144      6.614295
  C      -8.774867      3.546419      5.372035
  N      -7.967290      3.113515      4.408662
  C      -8.528460      2.578269      3.294179
  N      -9.813284      2.420398      3.040226
  C     -10.673936      2.856821      4.008469
  C     -12.068761      2.748161      3.794002
  C     -12.960694      3.205405      4.750842
  C     -12.491569      3.780264      5.949754
  C     -11.132161      3.894381      6.184826
  C     -10.196036      3.440134      5.223544
  H      -2.691547      0.566349      2.547908
  H      -4.006817      1.766996      2.610258
  H      -4.463325      0.284386      4.942225
  H      -3.870588     -0.970972      3.846047
  H      -6.299298     -0.872238      3.690662
  H      -6.280467      0.896162      3.507794
  H      -6.263768      1.849234     -0.804959
  H      -5.110428     -2.375774     -2.201813
  H      -4.609037     -4.527960     -1.037069
  H      -4.650231     -4.649577      1.450695
  H      -5.175207     -2.644110      2.789502
  H      -4.294474      6.048397      5.893060
  H      -2.811048      6.533210      6.706177
  H      -2.238273      7.770497      4.444835
  H      -3.448051      8.481840      5.532189
  H      -4.159905      8.443066      3.077180
  H      -4.094591      6.686243      3.142435
  H      -7.369302      8.477201      6.915855
  H     -10.097089      6.243571      3.967692
  H      -9.762213      5.209503      1.714260
  H      -7.539138      5.330193      0.600040
  H      -5.633034      6.435440      1.714759
  H      -6.206975      2.499109      7.791043
  H      -6.309059      2.276317      6.036688
  H      -6.401486      4.964696      7.504475
  H      -6.313750      4.780090      5.745507
  H      -8.562188      3.609790      7.492121
  H      -8.636545      5.181680      6.706883
  H      -7.825234      2.248512      2.527328
  H     -12.408049      2.302947      2.858776
  H     -14.036241      3.127425      4.578599
  H     -13.208177      4.141927      6.693679
  H     -10.780090      4.352994      7.109005
  N      -5.005918      3.858631      3.848014
  H      -5.996882      3.586031      3.961471
  H      -4.947254      4.492690      3.045809
98
Coordinates from ORCA-job orca E -6204.344624376301
  N      -2.661503      1.876206      4.195984
  Mo     -3.497396      3.452213      5.062598
  N      -4.486864      3.057710      6.714944
  C      -3.729045      3.024023      7.964102
  C      -2.364094      2.392255      7.699796
  N      -1.745751      2.996424      6.490776
  C      -0.843301      2.042969      5.793023
  C      -1.671028      1.098901      4.938973
  C      -1.058026      4.285068      6.769189
  C      -1.137513      5.129019      5.493736
  N      -2.536978      5.214007      5.070359
  H      -1.006852      0.561236      4.236236
  H      -2.150595      0.323080      5.567541
  H      -0.187972      2.632288      5.136527
  H      -0.205953      1.502772      6.516819
  H      -0.706615      6.130479      5.665964
  H      -0.537029      4.662822      4.695529
  H      -1.611121      4.795273      7.571346
  H      -0.024854      4.111955      7.122587
  H      -4.254621      2.416817      8.724114
  H      -3.610924      4.037436      8.400132
  H      -2.515453      1.324305      7.488267
  H      -1.690475      2.481375      8.570740
  C      -3.409612      1.072370      3.225763
  C      -4.335973      0.014344      3.877310
  C      -5.745489     -0.039653      3.251156
  C      -5.750614     -0.134651      1.751150
  N      -6.045781      0.981884      1.078998
  C      -6.005965      0.925893     -0.276232
  N      -5.704883     -0.108863     -1.036228
  C      -5.419864     -1.273009     -0.372187
  C      -5.105733     -2.432202     -1.117951
  C      -4.828829     -3.622898     -0.469580
  C      -4.856288     -3.698068      0.940916
  C      -5.156026     -2.579801      1.694024
  C      -5.436668     -1.342734      1.058465
  C      -3.248309      6.338514      5.701051
  C      -3.233979      7.625641      4.864891
  C      -4.274009      7.574927      3.745876
  C      -5.697598      7.553187      4.254922
  N      -5.937784      8.090376      5.453155
  C      -7.202504      8.017558      5.931096
  N      -8.253320      7.444040      5.366650
  C      -8.040697      6.898178      4.127726
  C      -9.115867      6.265176      3.457402
  C      -8.923537      5.707180      2.206244
  C      -7.661780      5.770137      1.578247
  C      -6.593375      6.379752      2.212309
  C      -6.751716      6.947766      3.503277
  C      -5.946653      2.963605      6.815815
  C      -6.674881      4.305176      6.666323
  C      -8.195451      4.174966      6.619916
  C      -8.781922      3.549502      5.378768
  N      -7.974992      3.118093      4.411292
  C      -8.538647      2.584970      3.296755
  N      -9.825838      2.427494      3.045082
  C     -10.684746      2.864288      4.017819
  C     -12.080429      2.753598      3.807183
  C     -12.969447      3.201053      4.768174
  C     -12.497777      3.772320      5.968606
  C     -11.138166      3.891231      6.199972
  C     -10.204124      3.443332      5.233988
  H      -2.692304      0.566680      2.549853
  H      -4.007031      1.763688      2.617840
  H      -4.461566      0.270222      4.943049
  H      -3.866196     -0.981131      3.842367
  H      -6.299413     -0.887667      3.688200
  H      -6.286416      0.880287      3.515416
  H      -6.253446      1.860649     -0.792093
  H      -5.099012     -2.354277     -2.206372
  H      -4.589280     -4.514378     -1.050057
  H      -4.644755     -4.647520      1.437355
  H      -5.181985     -2.648571      2.782449
  H      -4.296668      6.054775      5.882355
  H      -2.815952      6.537547      6.699782
  H      -2.231053      7.765309      4.431493
  H      -3.440309      8.485046      5.518387
  H      -4.154060      8.435457      3.064933
  H      -4.090965      6.678358      3.134243
  H      -7.364117      8.480759      6.911296
  H     -10.085018      6.234039      3.956379
  H      -9.751125      5.207889      1.699875
  H      -7.530702      5.337131      0.584891
  H      -5.627926      6.437679      1.709909
  H      -6.211076      2.503350      7.785093
  H      -6.313182      2.283944      6.032840
  H      -6.399793      4.969928      7.500528
  H      -6.323209      4.782681      5.741654
  H      -8.559380      3.610772      7.497595
  H      -8.637364      5.182080      6.715686
  H      -7.832961      2.252462      2.526488
  H     -12.421400      2.310396      2.871134
  H     -14.044646      3.118046      4.598687
  H     -13.211264      4.124005      6.716221
  H     -10.783943      4.344674      7.125332
  N      -5.003737      3.855675      3.844094
  H      -5.988598      3.571370      3.962259
  H      -4.940382      4.475104      3.034881
98
Coordinates from ORCA-job orca E -6204.344596272485
  N      -2.664440      1.876067      4.195177
  Mo     -3.498021      3.452254      5.061334
  N      -4.486059      3.059210      6.713959
  C      -3.726160      3.024899      7.961227
  C      -2.362927      2.391767      7.695224
  N      -1.744858      2.995706      6.486414
  C      -0.845085      2.042615      5.786679
  C      -1.673745      1.098555      4.935842
  C      -1.055293      4.283150      6.764394
  C      -1.137856      5.127704      5.491592
  N      -2.536793      5.212859      5.071280
  H      -1.011408      0.560128      4.233123
  H      -2.152977      0.323695      5.565644
  H      -0.193807      2.631433      5.128840
  H      -0.205852      1.503822      6.506959
  H      -0.706556      6.128308      5.664015
  H      -0.540493      4.662539      4.692637
  H      -1.604247      4.792606      7.567995
  H      -0.022102      4.109494      7.113658
  H      -4.251007      2.418765      8.721949
  H      -3.606180      4.037964      8.396298
  H      -2.516047      1.324640      7.483125
  H      -1.688700      2.479561      8.565468
  C      -3.412752      1.073329      3.225509
  C      -4.338187      0.015108      3.875182
  C      -5.746759     -0.036255      3.250788
  C      -5.751386     -0.134488      1.750739
  N      -6.047159      0.980797      1.076169
  C      -6.011324      0.922921     -0.279574
  N      -5.709415     -0.113216     -1.037899
  C      -5.420972     -1.276459     -0.370811
  C      -5.104273     -2.437140     -1.113976
  C      -4.826758     -3.626020     -0.463020
  C      -4.854860     -3.698589      0.947914
  C      -5.156902     -2.578980      1.698673
  C      -5.438293     -1.343433      1.060357
  C      -3.247088      6.333605      5.705351
  C      -3.236658      7.623113      4.873433
  C      -4.277470      7.577668      3.753962
  C      -5.701133      7.553049      4.261827
  N      -5.942591      8.083966      5.461567
  C      -7.206968      8.006882      5.938288
  N      -8.256761      7.435719      5.371016
  C      -8.043569      6.897518      4.130908
  C      -9.119158      6.267399      3.458187
  C      -8.926303      5.712886      2.205608
  C      -7.662839      5.775921      1.578749
  C      -6.594182      6.384384      2.214686
  C      -6.753863      6.949654      3.507549
  C      -5.946076      2.967443      6.817117
  C      -6.672765      4.309138      6.663389
  C      -8.194208      4.183013      6.617940
  C      -8.779319      3.553764      5.378995
  N      -7.969511      3.115090      4.415621
  C      -8.531472      2.576785      3.302968
  N      -9.818714      2.420286      3.048601
  C     -10.680000      2.864067      4.017044
  C     -12.074453      2.750711      3.803544
  C     -12.964466      3.199398      4.760444
  C     -12.495655      3.776450      5.959556
  C     -11.137470      3.899036      6.193677
  C     -10.201933      3.448376      5.231789
  H      -2.696201      0.568803      2.549128
  H      -4.010516      1.763136      2.617485
  H      -4.462441      0.268092      4.940779
  H      -3.869830     -0.978782      3.836470
  H      -6.302506     -0.881526      3.688931
  H      -6.285208      0.885404      3.513923
  H      -6.257284      1.855764     -0.796992
  H      -5.097844     -2.361379     -2.202883
  H      -4.586449     -4.517810     -1.041824
  H      -4.642435     -4.646698      1.446867
  H      -5.182818     -2.645899      2.787466
  H      -4.293647      6.046831      5.887405
  H      -2.813960      6.530818      6.702832
  H      -2.235666      7.767124      4.441259
  H      -3.445105      8.477188      5.530247
  H      -4.158685      8.441908      3.077821
  H      -4.093801      6.683671      3.137063
  H      -7.369510      8.463975      6.919477
  H     -10.089611      6.235422      3.956899
  H      -9.754571      5.215124      1.697681
  H      -7.530271      5.343827      0.584895
  H      -5.627131      6.442386      1.711885
  H      -6.210673      2.511448      7.788157
  H      -6.313657      2.285304      6.037753
  H      -6.396172      4.975726      7.493983
  H      -6.320802      4.782310      5.737186
  H      -8.560877      3.623613      7.498548
  H      -8.634385      5.192392      6.707513
  H      -7.822706      2.235078      2.536119
  H     -12.413043      2.301728      2.868631
  H     -14.038030      3.112362      4.588844
  H     -13.209487      4.127411      6.703903
  H     -10.785018      4.355415      7.118061
  N      -5.001689      3.857243      3.842386
  H      -5.984787      3.567219      3.960476
  H      -4.942375      4.484502      3.038386
98
Coordinates from ORCA-job orca E -6204.344629979268
  N      -2.662943      1.874966      4.196526
  Mo     -3.498769      3.451454      5.062363
  N      -4.486536      3.058301      6.715738
  C      -3.727635      3.025265      7.963830
  C      -2.363331      2.392982      7.698498
  N      -1.745913      2.996474      6.488903
  C      -0.844346      2.042889      5.790782
  C      -1.671863      1.098242      4.938579
  C      -1.057563      4.284919      6.766489
  C      -1.138800      5.128431      5.492114
  N      -2.538003      5.212532      5.069973
  H      -1.008575      0.559941      4.235584
  H      -2.150505      0.322804      5.568171
  H      -0.190998      2.631616      5.133702
  H      -0.206318      1.503678      6.512969
  H      -0.708105      6.129584      5.664184
  H      -0.539752      4.662665      4.693823
  H      -1.608803      4.795204      7.568940
  H      -0.024517      4.112174      7.117998
  H      -4.252464      2.418708      8.724567
  H      -3.608969      4.038801      8.398990
  H      -2.515341      1.325196      7.487451
  H      -1.689022      2.482111      8.568668
  C      -3.410543      1.071479      3.226084
  C      -4.337434      0.012780      3.876218
  C      -5.747175     -0.038504      3.250682
  C      -5.751162     -0.133222      1.750808
  N      -6.044667      0.983573      1.078772
  C      -6.004288      0.927886     -0.276464
  N      -5.701606     -0.107102     -1.036420
  C      -5.417187     -1.271584     -0.372258
  C      -5.101431     -2.430845     -1.117651
  C      -4.826048     -3.621580     -0.469136
  C      -4.855700     -3.697164      0.941266
  C      -5.157306     -2.578753      1.694194
  C      -5.437220     -1.341327      1.058365
  C      -3.249562      6.335663      5.700847
  C      -3.234710      7.623702      4.866551
  C      -4.275687      7.576271      3.747148
  C      -5.699757      7.552939      4.255862
  N      -5.940645      8.087052      5.454641
  C      -7.204701      8.010466      5.932900
  N      -8.254502      7.436453      5.368232
  C      -8.041862      6.894521      4.128987
  C      -9.116992      6.261265      3.458753
  C      -8.924849      5.705074      2.206596
  C      -7.662983      5.769524      1.577879
  C      -6.594290      6.379421      2.212127
  C      -6.752885      6.946713      3.504105
  C      -5.946045      2.964833      6.818504
  C      -6.673446      4.306589      6.667037
  C      -8.194494      4.178428      6.620568
  C      -8.780575      3.550212      5.380790
  N      -7.973313      3.116047      4.415781
  C      -8.536949      2.580071      3.302707
  N      -9.823956      2.422419      3.049689
  C     -10.683078      2.862435      4.019664
  C     -12.078554      2.752294      3.807347
  C     -12.968351      3.204962      4.765432
  C     -12.497463      3.780532      5.964576
  C     -11.137697      3.897802      6.197708
  C     -10.203002      3.445034      5.234605
  H      -2.693068      0.567304      2.549947
  H      -4.008595      1.761899      2.618597
  H      -4.462328      0.266200      4.942054
  H      -3.868860     -0.982372      3.838540
  H      -6.302662     -0.885457      3.686894
  H      -6.286812      0.881726      3.515230
  H      -6.249039      1.862229     -0.792270
  H      -5.093031     -2.352807     -2.206135
  H      -4.586013     -4.512564     -1.049567
  H      -4.644746     -4.646798      1.438152
  H      -5.184848     -2.647880      2.782614
  H      -4.297543      6.051186      5.880273
  H      -2.818677      6.533780      6.699845
  H      -2.231854      7.763845      4.433451
  H      -3.440715      8.481569      5.521914
  H      -4.155570      8.439359      3.069716
  H      -4.092766      6.681116      3.131631
  H      -7.366909      8.471016      6.913033
  H     -10.086421      6.228673      3.958486
  H      -9.752654      5.205562      1.700070
  H      -7.531962      5.337537      0.583411
  H      -5.628486      6.438254      1.708306
  H      -6.209912      2.506723      7.788933
  H      -6.313326      2.283521      6.037307
  H      -6.397467      4.972362      7.499977
  H      -6.321574      4.782055      5.741424
  H      -8.559942      3.617389      7.499934
  H      -8.634929      5.186692      6.712387
  H      -7.831042      2.244921      2.534256
  H     -12.419013      2.305959      2.872224
  H     -14.043588      3.123162      4.594540
  H     -13.211673      4.136897      6.709746
  H     -10.784019      4.354741      7.122026
  N      -5.003559      3.854818      3.843666
  H      -5.986579      3.565149      3.962401
  H      -4.942097      4.476701      3.036113
98
Coordinates from ORCA-job orca E -6204.344598520085
  N      -2.661377      1.877423      4.194880
  Mo     -3.497642      3.452120      5.063231
  N      -4.487584      3.057384      6.715532
  C      -3.729861      3.021772      7.964714
  C      -2.364927      2.390368      7.700003
  N      -1.746247      2.995979      6.492032
  C      -0.843186      2.043710      5.793700
  C      -1.670632      1.100389      4.938061
  C      -1.059466      4.284794      6.771577
  C      -1.138472      5.129968      5.496282
  N      -2.537834      5.214313      5.071825
  H      -1.005317      0.564511      4.235923
  H      -2.150314      0.323711      5.564844
  H      -0.187240      2.634112      5.138123
  H      -0.205842      1.502763      6.517562
  H      -0.708932      6.132180      5.669966
  H      -0.536177      4.665397      4.697805
  H      -1.613583      4.794016      7.574095
  H      -0.025943      4.111470      7.125877
  H      -4.255766      2.413513      8.723795
  H      -3.611537      4.034568      8.402431
  H      -2.516091      1.322546      7.487144
  H      -1.691239      2.478518      8.571191
  C      -3.407352      1.073215      3.223831
  C      -4.333741      0.015943      3.874536
  C      -5.742149     -0.036749      3.248926
  C      -5.749540     -0.133750      1.749065
  N      -6.046002      0.981787      1.075832
  C      -6.008076      0.923817     -0.279621
  N      -5.707988     -0.112236     -1.038622
  C      -5.422269     -1.275541     -0.373407
  C      -5.110863     -2.435938     -1.118231
  C      -4.834088     -3.625785     -0.468444
  C      -4.858807     -3.698822      0.942299
  C      -5.155952     -2.579205      1.694321
  C      -5.436747     -1.343063      1.057402
  C      -3.250994      6.337938      5.702484
  C      -3.235012      7.626962      4.868719
  C      -4.270395      7.579595      3.746739
  C      -5.694619      7.557518      4.252443
  N      -5.936635      8.097186      5.449389
  C      -7.202320      8.025568      5.925419
  N      -8.252602      7.450820      5.360199
  C      -8.037692      6.901496      4.122890
  C      -9.111460      6.265940      3.452749
  C      -8.916579      5.704470      2.203943
  C      -7.653821      5.767049      1.577835
  C      -6.587236      6.379808      2.211088
  C      -6.747641      6.950320      3.500153
  C      -5.947686      2.963126      6.815437
  C      -6.676027      4.305037      6.665842
  C      -8.196571      4.174807      6.618899
  C      -8.783677      3.549745      5.377950
  N      -7.977357      3.117990      4.408376
  C      -8.541584      2.585804      3.293342
  N      -9.828738      2.429099      3.043619
  C     -10.687018      2.864830      4.018833
  C     -12.082399      2.753220      3.810380
  C     -12.969683      3.196412      4.774137
  C     -12.496662      3.764254      5.975094
  C     -11.137692      3.885443      6.204078
  C     -10.205466      3.442253      5.235344
  H      -2.688391      0.566304      2.549443
  H      -4.003377      1.765078      2.613291
  H      -4.459001      0.271234      4.940791
  H      -3.864870     -0.979513      3.838933
  H      -6.296486     -0.883302      3.687758
  H      -6.280916      0.884251      3.512804
  H      -6.259343      1.858523     -0.796799
  H      -5.106256     -2.359586     -2.206757
  H      -4.596575     -4.518541     -1.047950
  H      -4.647602     -4.647585      1.439571
  H      -5.180403     -2.646130      2.782941
  H      -4.299834      6.053266      5.880988
  H      -2.821192      6.535455      6.702889
  H      -2.231763      7.768255      4.439288
  H      -3.443645      8.484569      5.522271
  H      -4.148220      8.442416      3.068948
  H      -4.085933      6.685361      3.133565
  H      -7.365387      8.491530      6.904871
  H     -10.081174      6.235314      3.950397
  H      -9.742986      5.203039      1.698290
  H      -7.520531      5.331698      0.587293
  H      -5.621153      6.437614      1.710104
  H      -6.212628      2.502923      7.784982
  H      -6.314087      2.283266      6.032279
  H      -6.402032      4.969320      7.500675
  H      -6.323441      4.783566      5.741728
  H      -8.560745      3.610771      7.496703
  H      -8.638834      5.182069      6.714833
  H      -7.836454      2.252935      2.521332
  H     -12.424256      2.311915      2.873960
  H     -14.044443      3.111827      4.606471
  H     -13.208581      4.111516      6.725058
  H     -10.782380      4.336148      7.129844
  N      -5.006185      3.855607      3.845781
  H      -5.992916      3.575760      3.963819
  H      -4.945105      4.477004      3.037208
98
Coordinates from ORCA-job orca E -6204.344642928100
  N      -2.660900      1.876181      4.195648
  Mo     -3.497434      3.451659      5.062212
  N      -4.485922      3.057439      6.715066
  C      -3.727474      3.023792      7.963465
  C      -2.362793      2.392235      7.698503
  N      -1.744888      2.996718      6.489650
  C      -0.842675      2.044095      5.791114
  C      -1.669999      1.099528      4.937830
  C      -1.057515      4.285448      6.768052
  C      -1.138737      5.130083      5.493972
  N      -2.537922      5.213602      5.071336
  H      -1.005934      0.562134      4.235167
  H      -2.149059      0.323466      5.566472
  H      -0.188970      2.633786      5.134299
  H      -0.204326      1.504526      6.513612
  H      -0.709085      6.131722      5.667224
  H      -0.538504      4.665607      4.695366
  H      -1.609349      4.794824      7.570964
  H      -0.024169      4.112888      7.119773
  H      -4.252496      2.416644      8.723656
  H      -3.609177      4.037108      8.399309
  H      -2.514127      1.324458      7.486783
  H      -1.688972      2.481253      8.569181
  C      -3.407613      1.072452      3.224842
  C      -4.335042      0.014526      3.874439
  C      -5.744800     -0.035330      3.249443
  C      -5.750349     -0.132501      1.749534
  N      -6.043148      0.983708      1.075960
  C      -6.004143      0.925831     -0.279336
  N      -5.704320     -0.110684     -1.037973
  C      -5.421168     -1.274593     -0.372253
  C      -5.108533     -2.435497     -1.116334
  C      -4.834457     -3.625727     -0.466308
  C      -4.862986     -3.699016      0.944251
  C      -5.161248     -2.579030      1.695817
  C      -5.439123     -1.342237      1.058503
  C      -3.250579      6.335688      5.703580
  C      -3.236589      7.625185      4.871040
  C      -4.275689      7.579388      3.750168
  C      -5.699890      7.554554      4.257406
  N      -5.941994      8.089472      5.455928
  C      -7.206746      8.013762      5.932580
  N      -8.256172      7.439748      5.366535
  C      -8.042028      6.896667      4.127544
  C      -9.116356      6.263521      3.455889
  C      -8.922561      5.706855      2.204412
  C      -7.659899      5.771037      1.577575
  C      -6.592296      6.381243      2.212820
  C      -6.752307      6.948417      3.504291
  C      -5.945704      2.964203      6.816699
  C      -6.673044      4.305998      6.664904
  C      -8.194015      4.178032      6.618329
  C      -8.780111      3.549513      5.378887
  N      -7.972674      3.114514      4.413356
  C      -8.536240      2.578547      3.300242
  N      -9.823376      2.421380      3.047916
  C     -10.682633      2.861493      4.018694
  C     -12.077975      2.750342      3.807364
  C     -12.967177      3.200642      4.766470
  C     -12.496097      3.775401      5.965628
  C     -11.136761      3.894745      6.197649
  C     -10.202458      3.443789      5.233563
  H      -2.689447      0.566945      2.550187
  H      -4.003978      1.763085      2.615558
  H      -4.459127      0.267596      4.940654
  H      -3.867457     -0.981133      3.836166
  H      -6.301445     -0.880774      3.687565
  H      -6.282344      0.886804      3.512954
  H      -6.249273      1.859985     -0.796454
  H      -5.101159     -2.359066     -2.204871
  H      -4.596444     -4.518320     -1.045566
  H      -4.653658     -4.648172      1.442098
  H      -5.187974     -2.646341      2.784319
  H      -4.298675      6.050121      5.882647
  H      -2.819965      6.532726      6.703284
  H      -2.233654      7.767247      4.439527
  H      -3.444398      8.481465      5.527336
  H      -4.155501      8.443990      3.074445
  H      -4.091357      6.686278      3.133440
  H      -7.369819      8.474562      6.912855
  H     -10.086271      6.231235      3.954203
  H      -9.749604      5.207394      1.697054
  H      -7.527412      5.338759      0.584092
  H      -5.626122      6.440088      1.710573
  H      -6.210377      2.506092      7.786977
  H      -6.312759      2.283181      6.035242
  H      -6.397399      4.971593      7.497666
  H      -6.320829      4.781490      5.739594
  H      -8.559611      3.617509      7.497990
  H      -8.634702      5.186440      6.709772
  H      -7.830346      2.242819      2.531480
  H     -12.418524      2.304219      2.872295
  H     -14.042024      3.117050      4.596434
  H     -13.209658      4.129108      6.711715
  H     -10.782849      4.350659      7.122005
  N      -5.002639      3.854804      3.842853
  H      -5.986497      3.567028      3.960584
  H      -4.941444      4.478060      3.036083
98
Coordinates from ORCA-job orca E -6204.344643746883
  N      -2.662494      1.875360      4.196845
  Mo     -3.498780      3.451444      5.062507
  N      -4.487066      3.058503      6.715644
  C      -3.728591      3.024646      7.964037
  C      -2.364185      2.392750      7.699103
  N      -1.746295      2.996930      6.490276
  C      -0.844181      2.044284      5.791881
  C      -1.670940      1.099454      4.939203
  C      -1.059004      4.285658      6.768338
  C      -1.140024      5.129699      5.493891
  N      -2.539017      5.212802      5.070723
  H      -1.006658      0.561890      4.236659
  H      -2.149180      0.323689      5.568471
  H      -0.191077      2.633724      5.134996
  H      -0.205821      1.505194      6.514025
  H      -0.710810      6.131472      5.666909
  H      -0.539427      4.665052      4.695708
  H      -1.611020      4.795323      7.570943
  H      -0.025707      4.113268      7.120348
  H      -4.253795      2.417577      8.724126
  H      -3.610090      4.037850      8.399971
  H      -2.515644      1.324991      7.487430
  H      -1.690341      2.481685      8.569743
  C      -3.407882      1.071429      3.225100
  C      -4.334689      0.012357      3.873692
  C      -5.744261     -0.036717      3.249247
  C      -5.749821     -0.132474      1.749436
  N      -6.043369      0.984068      1.076742
  C      -6.004559      0.927345     -0.278661
  N      -5.703485     -0.108444     -1.038100
  C      -5.419346     -1.272783     -0.373229
  C      -5.106032     -2.432898     -1.118155
  C      -4.831657     -3.623462     -0.468954
  C      -4.859975     -3.698042      0.941679
  C      -5.159002     -2.578791      1.694025
  C      -5.437839     -1.341536      1.057512
  C      -3.252234      6.334983      5.701244
  C      -3.234669      7.624384      4.869206
  C      -4.272654      7.579963      3.747706
  C      -5.697301      7.556293      4.254111
  N      -5.939503      8.092058      5.451917
  C      -7.203997      8.015781      5.929223
  N      -8.253178      7.440697      5.364265
  C      -8.038975      6.896780      4.126071
  C      -9.113181      6.261762      3.456030
  C      -8.919591      5.703313      2.205225
  C      -7.657080      5.767504      1.577505
  C      -6.589427      6.379462      2.211319
  C      -6.749460      6.948614      3.502125
  C      -5.946749      2.964893      6.817744
  C      -6.674464      4.306692      6.666070
  C      -8.195283      4.177849      6.619831
  C      -8.781976      3.549767      5.380337
  N      -7.975190      3.116137      4.413815
  C      -8.539522      2.581023      3.300534
  N      -9.826676      2.423463      3.048741
  C     -10.685267      2.862398      4.020562
  C     -12.080772      2.751321      3.809883
  C     -12.969439      3.200748      4.769933
  C     -12.497552      3.774255      5.969504
  C     -11.137948      3.893182      6.200918
  C     -10.204333      3.443551      5.235796
  H      -2.688819      0.567289      2.549987
  H      -4.005414      1.761659      2.616018
  H      -4.458841      0.263845      4.940281
  H      -3.866926     -0.982992      3.833858
  H      -6.300562     -0.882320      3.686490
  H      -6.281762      0.884570      3.513895
  H      -6.250059      1.861744     -0.795069
  H      -5.098825     -2.355516     -2.206755
  H      -4.593670     -4.515212     -1.048870
  H      -4.650039     -4.647580      1.438977
  H      -5.185727     -2.647065      2.782573
  H      -4.300592      6.050046      5.877197
  H      -2.824492      6.531553      6.701805
  H      -2.231071      7.764829      4.438904
  H      -3.441550      8.481296      5.525048
  H      -4.150580      8.445151      3.073194
  H      -4.089075      6.686639      3.130152
  H      -7.367258      8.477880      6.908772
  H     -10.082917      6.229312      3.955105
  H      -9.746681      5.202172      1.699163
  H      -7.524591      5.333460      0.584408
  H      -5.623208      6.437999      1.708257
  H      -6.210796      2.506988      7.788384
  H      -6.313848      2.283402      6.036569
  H      -6.399019      4.972755      7.499282
  H      -6.322552      4.782647      5.740366
  H      -8.560531      3.616844      7.499188
  H      -8.635930      5.185921      6.711906
  H      -7.833658      2.245245      2.530774
  H     -12.421944      2.306236      2.874464
  H     -14.044542      3.117624      4.600329
  H     -13.210732      4.127492      6.716357
  H     -10.783453      4.348258      7.125587
  N      -5.004085      3.854479      3.843897
  H      -5.987556      3.565760      3.962437
  H      -4.943673      4.477181      3.036810
98
Coordinates from ORCA-job orca E -6204.344650842036
  N      -2.660735      1.875525      4.196650
  Mo     -3.497873      3.451195      5.062544
  N      -4.486033      3.057773      6.715616
  C      -3.727682      3.024348      7.964020
  C      -2.363016      2.392866      7.699274
  N      -1.745194      2.997249      6.490476
  C      -0.842698      2.045043      5.792007
  C      -1.669094      1.099875      4.939008
  C      -1.058424      4.286304      6.768651
  C      -1.140061      5.130968      5.494759
  N      -2.539105      5.213142      5.071624
  H      -1.004430      0.562795      4.236579
  H      -2.147344      0.323613      5.567936
  H      -0.189724      2.634923      5.135242
  H      -0.204115      1.506036      6.514135
  H      -0.711648      6.133019      5.668533
  H      -0.539067      4.667364      4.696339
  H      -1.610258      4.795430      7.571623
  H      -0.024954      4.114340      7.120114
  H      -4.252752      2.417333      8.724192
  H      -3.609453      4.037686      8.399691
  H      -2.514022      1.325009      7.487719
  H      -1.689337      2.482199      8.569989
  C      -3.405394      1.071621      3.224550
  C      -4.333570      0.012971      3.872205
  C      -5.743593     -0.033301      3.248206
  C      -5.749538     -0.130357      1.748504
  N      -6.040619      0.986080      1.074885
  C      -6.001968      0.927883     -0.280468
  N      -5.703124     -0.109234     -1.038948
  C      -5.421509     -1.273460     -0.373087
  C      -5.110539     -2.434947     -1.116964
  C      -4.838581     -3.625443     -0.466712
  C      -4.867177     -3.698623      0.943938
  C      -5.163963     -2.577986      1.695280
  C      -5.440201     -1.340747      1.057670
  C      -3.253403      6.334330      5.703048
  C      -3.236876      7.624828      4.872457
  C      -4.274310      7.581923      3.750093
  C      -5.699308      7.556005      4.255820
  N      -5.942671      8.090874      5.453970
  C      -7.207394      8.013450      5.930356
  N      -8.255871      7.438056      5.364115
  C      -8.040553      6.895195      4.125537
  C      -9.113969      6.260518      3.453916
  C      -8.919357      5.703739      2.202597
  C      -7.656550      5.769225      1.576024
  C      -6.589635      6.380729      2.211349
  C      -6.750616      6.948300      3.502617
  C      -5.945727      2.964498      6.817449
  C      -6.672909      4.306343      6.664868
  C      -8.193861      4.178624      6.618434
  C      -8.780405      3.548734      5.379831
  N      -7.973443      3.113328      4.414169
  C      -8.537667      2.576768      3.301563
  N      -9.824837      2.419484      3.049636
  C     -10.683546      2.859967      4.020626
  C     -12.079010      2.748987      3.809828
  C     -12.967770      3.200012      4.769096
  C     -12.496015      3.774972      5.967947
  C     -11.136468      3.893914      6.199444
  C     -10.202758      3.442693      5.235140
  H      -2.685848      0.567012      2.550684
  H      -4.001524      1.761768      2.614543
  H      -4.456797      0.263203      4.939104
  H      -3.867372     -0.983055      3.830869
  H      -6.301851     -0.877328      3.686132
  H      -6.278862      0.889540      3.512246
  H      -6.245920      1.862229     -0.797792
  H      -5.103034     -2.358621     -2.205594
  H      -4.602311     -4.518302     -1.045798
  H      -4.659145     -4.648160      1.442066
  H      -5.190841     -2.645158      2.783861
  H      -4.301752      6.048298      5.878500
  H      -2.826008      6.530273      6.704127
  H      -2.233225      7.767124      4.442802
  H      -3.445032      8.480173      5.529663
  H      -4.152463      8.449048      3.077994
  H      -4.089636      6.690637      3.130241
  H      -7.371576      8.474707      6.910294
  H     -10.083975      6.227136      3.952128
  H      -9.745820      5.203047      1.695267
  H      -7.523302      5.336781      0.582567
  H      -5.623328      6.440366      1.709026
  H      -6.210216      2.507176      7.788139
  H      -6.312899      2.282841      6.036500
  H      -6.397050      4.972590      7.497394
  H      -6.320757      4.781340      5.739055
  H      -8.559811      3.619690      7.498915
  H      -8.633946      5.187334      6.708199
  H      -7.832026      2.240199      2.532565
  H     -12.420099      2.302769      2.874968
  H     -14.042826      3.116895      4.599406
  H     -13.209265      4.129466      6.714172
  H     -10.782055      4.350180      7.123532
  N      -5.002622      3.853634      3.842644
  H      -5.985569      3.563084      3.960730
  H      -4.942984      4.477859      3.036604
98
Coordinates from ORCA-job orca E -6204.344661249439
  N      -2.654697      1.877350      4.195741
  Mo     -3.495645      3.450900      5.061891
  N      -4.483857      3.055451      6.714797
  C      -3.726343      3.022241      7.963474
  C      -2.360536      2.393207      7.699370
  N      -1.742758      2.999519      6.491701
  C      -0.838200      2.050082      5.792439
  C      -1.662412      1.103509      4.938185
  C      -1.059173      4.289806      6.771009
  C      -1.142375      5.136425      5.498297
  N      -2.541069      5.214953      5.074035
  H      -0.995895      0.568168      4.236174
  H      -2.140040      0.325610      5.566236
  H      -0.186242      2.642156      5.135829
  H      -0.198121      1.511677      6.514473
  H      -0.717941      6.139760      5.675069
  H      -0.538714      4.676692      4.699493
  H      -1.611720      4.796699      7.575069
  H      -0.025035      4.119851      7.121749
  H      -4.250958      2.413922      8.722930
  H      -3.609776      4.035455      8.399939
  H      -2.509178      1.325178      7.487075
  H      -1.687940      2.483382      8.570919
  C      -3.395733      1.072569      3.221526
  C      -4.326049      0.013523      3.865773
  C      -5.738149     -0.025095      3.244856
  C      -5.747698     -0.126531      1.745246
  N      -6.032858      0.989728      1.068658
  C      -5.996295      0.927356     -0.286530
  N      -5.704915     -0.113583     -1.042195
  C      -5.430244     -1.277673     -0.373276
  C      -5.126755     -2.443447     -1.114232
  C      -4.862030     -3.633943     -0.461098
  C      -4.892033     -3.702804      0.949612
  C      -5.180700     -2.578112      1.698085
  C      -5.447800     -1.340961      1.057523
  C      -3.259273      6.332408      5.708162
  C      -3.241409      7.627409      4.884282
  C      -4.275469      7.592154      3.757581
  C      -5.701550      7.560725      4.259364
  N      -5.948906      8.095466      5.456912
  C      -7.214290      8.015682      5.930265
  N      -8.260190      7.438098      5.361455
  C      -8.040949      6.895628      4.123460
  C      -9.111822      6.259371      3.449195
  C      -8.913470      5.702680      2.198311
  C      -7.649291      5.770387      1.574808
  C      -6.584899      6.383817      2.212575
  C      -6.749566      6.950988      3.503572
  C      -5.943704      2.962713      6.815520
  C      -6.670504      4.304509      6.660957
  C      -8.191497      4.178101      6.613890
  C      -8.777921      3.544495      5.377419
  N      -7.970992      3.105862      4.413040
  C      -8.535743      2.567392      3.301894
  N      -9.823108      2.410472      3.050223
  C     -10.681619      2.853210      4.020396
  C     -12.077040      2.741077      3.810457
  C     -12.965501      3.194030      4.769007
  C     -12.493708      3.772625      5.966267
  C     -11.134247      3.892950      6.196839
  C     -10.200539      3.438792      5.233316
  H      -2.673382      0.567256      2.551503
  H      -3.988397      1.762163      2.607809
  H      -4.445490      0.258561      4.934444
  H      -3.863545     -0.984242      3.818367
  H      -6.301486     -0.864363      3.686517
  H      -6.266177      0.902885      3.507309
  H      -6.234602      1.861338     -0.806152
  H      -5.118555     -2.370131     -2.202865
  H      -4.630865     -4.530577     -1.037758
  H      -4.691067     -4.652236      1.449736
  H      -5.208244     -2.641988      2.786660
  H      -4.308166      6.044014      5.878380
  H      -2.835931      6.524041      6.712370
  H      -2.236150      7.773172      4.458830
  H      -3.452558      8.478698      5.546461
  H      -4.152506      8.465945      3.093956
  H      -4.087800      6.707492      3.130022
  H      -7.381447      8.475294      6.910016
  H     -10.082944      6.224476      3.945275
  H      -9.737920      5.200718      1.689059
  H      -7.512794      5.338187      0.581785
  H      -5.617795      6.444937      1.712172
  H      -6.209194      2.506869      7.786655
  H      -6.310887      2.280424      6.035226
  H      -6.394764      4.971386      7.492523
  H      -6.317667      4.778267      5.735006
  H      -8.558986      3.623469      7.496456
  H      -8.630638      5.187835      6.698986
  H      -7.830880      2.229037      2.534047
  H     -12.418269      2.292078      2.876825
  H     -14.040327      3.109301      4.599973
  H     -13.206564      4.128323      6.711986
  H     -10.779635      4.351452      7.119750
  N      -4.999087      3.852221      3.839400
  H      -5.981400      3.559033      3.955491
  H      -4.940258      4.480370      3.036231
98
Coordinates from ORCA-job orca E -6204.344665911538
  N      -2.655158      1.876312      4.197655
  Mo     -3.496494      3.450341      5.062646
  N      -4.483942      3.056462      6.715922
  C      -3.726290      3.022706      7.964517
  C      -2.360489      2.393788      7.700254
  N      -1.742866      3.000279      6.492702
  C      -0.837905      2.051630      5.793267
  C      -1.661238      1.103919      4.939336
  C      -1.060095      4.291085      6.771803
  C      -1.144144      5.138256      5.499608
  N      -2.542761      5.214701      5.074758
  H      -0.994113      0.569766      4.237014
  H      -2.137254      0.324883      5.567385
  H      -0.187024      2.644415      5.136537
  H      -0.197013      1.513940      6.514800
  H      -0.721668      6.142275      5.677517
  H      -0.539325      4.680348      4.700844
  H      -1.612307      4.797337      7.576281
  H      -0.025665      4.121893      7.121745
  H      -4.250962      2.414340      8.723734
  H      -3.609608      4.035763      8.401142
  H      -2.508735      1.325713      7.487998
  H      -1.687917      2.484230      8.571737
  C      -3.392981      1.071765      3.221378
  C      -4.324143      0.011024      3.862080
  C      -5.736569     -0.022802      3.242396
  C      -5.746581     -0.124332      1.743018
  N      -6.028875      0.992144      1.066327
  C      -5.991962      0.928711     -0.288944
  N      -5.702455     -0.113335     -1.044241
  C      -5.430885     -1.277651     -0.375067
  C      -5.130919     -2.444289     -1.115617
  C      -4.869633     -3.635123     -0.462012
  C      -4.898943     -3.703713      0.948765
  C      -5.184508     -2.577979      1.696817
  C      -5.449140     -1.340140      1.055722
  C      -3.263298      6.330769      5.708683
  C      -3.242715      7.627833      4.888209
  C      -4.273843      7.597624      3.758491
  C      -5.701141      7.562877      4.257748
  N      -5.951314      8.098801      5.454626
  C      -7.217189      8.016879      5.926691
  N      -8.261317      7.436359      5.357000
  C      -8.039197      6.892674      4.119717
  C      -9.107841      6.253974      3.444570
  C      -8.906998      5.697528      2.194326
  C      -7.642252      5.767456      1.572347
  C      -6.579843      6.382804      2.211017
  C      -6.746982      6.950150      3.501314
  C      -5.943835      2.964026      6.816828
  C      -6.670360      4.305737      6.661197
  C      -8.191348      4.179711      6.614009
  C      -8.778175      3.543567      5.378793
  N      -7.971866      3.104380      4.414049
  C      -8.537469      2.564904      3.303661
  N      -9.824920      2.408050      3.052881
  C     -10.682756      2.851212      4.023583
  C     -12.078427      2.739536      3.814762
  C     -12.966092      3.193029      4.773871
  C     -12.493225      3.771516      5.970530
  C     -11.133534      3.891566      6.199945
  C     -10.200758      3.437225      5.235871
  H      -2.668572      0.568552      2.552378
  H      -3.985025      1.760910      2.607205
  H      -4.442197      0.251199      4.931814
  H      -3.863285     -0.987117      3.809575
  H      -6.301955     -0.860436      3.683818
  H      -6.261847      0.906358      3.505470
  H      -6.229189      1.862971     -0.809232
  H      -5.122902     -2.371252     -2.204326
  H      -4.641898     -4.532163     -1.038334
  H      -4.700045     -4.653700      1.449432
  H      -5.211951     -2.641602      2.785440
  H      -4.312770      6.041486      5.873959
  H      -2.844087      6.520279      6.715133
  H      -2.236541      7.775484      4.466069
  H      -3.455773      8.476331      5.552176
  H      -4.149160      8.476049      3.101177
  H      -4.084416      6.717455      3.125570
  H      -7.386699      8.477966      6.905938
  H     -10.079348      6.217427      3.939290
  H      -9.729715      5.193956      1.684479
  H      -7.503731      5.335557      0.579658
  H      -5.612630      6.445858      1.711542
  H      -6.209211      2.509320      7.788356
  H      -6.311206      2.281047      6.037283
  H      -6.394376      4.972995      7.492465
  H      -6.317597      4.779030      5.735015
  H      -8.559422      3.627958      7.498139
  H      -8.629827      5.189993      6.696019
  H      -7.833220      2.226303      2.535072
  H     -12.420527      2.290799      2.881515
  H     -14.041172      3.108853      4.605666
  H     -13.205491      4.127957      6.716660
  H     -10.778107      4.350398      7.122322
  N      -4.999137      3.850394      3.838703
  H      -5.980477      3.553885      3.954717
  H      -4.942703      4.480415      3.036756
98
Coordinates from ORCA-job orca E -6204.344669317790
  N      -2.654551      1.876959      4.197603
  Mo     -3.497210      3.450356      5.063222
  N      -4.484423      3.056162      6.716629
  C      -3.727014      3.021706      7.965310
  C      -2.360960      2.393616      7.700845
  N      -1.743631      3.001140      6.493794
  C      -0.837670      2.053721      5.793909
  C      -1.659715      1.105577      4.939408
  C      -1.062077      4.292426      6.773511
  C      -1.146394      5.140193      5.501656
  N      -2.544815      5.215081      5.075701
  H      -0.991454      0.572725      4.237198
  H      -2.134875      0.325560      5.566919
  H      -0.187340      2.647426      5.137455
  H      -0.196213      1.516433      6.515252
  H      -0.725667      6.144829      5.680705
  H      -0.540052      4.683708      4.703046
  H      -1.614869      4.797856      7.578222
  H      -0.027453      4.123978      7.123510
  H      -4.251567      2.412518      8.723939
  H      -3.610787      4.034413      8.402870
  H      -2.508440      1.325531      7.487934
  H      -1.688598      2.483963      8.572525
  C      -3.389920      1.072022      3.219809
  C      -4.320781      0.009759      3.858551
  C      -5.733814     -0.021270      3.240718
  C      -5.745605     -0.123114      1.741476
  N      -6.026578      0.993379      1.064494
  C      -5.991296      0.929426     -0.290821
  N      -5.704171     -0.113312     -1.045838
  C      -5.433904     -1.277844     -0.376338
  C      -5.136433     -2.445458     -1.116645
  C      -4.877100     -3.636483     -0.462729
  C      -4.905972     -3.704367      0.948162
  C      -5.189024     -2.577642      1.695916
  C      -5.451410     -1.339627      1.054474
  C      -3.267099      6.330349      5.708757
  C      -3.242542      7.628907      4.891061
  C      -4.270896      7.602448      3.758971
  C      -5.699257      7.567828      4.255544
  N      -5.951440      8.106078      5.450705
  C      -7.217386      8.023610      5.921539
  N      -8.260163      7.440682      5.352098
  C      -8.036099      6.894541      4.116592
  C      -9.103258      6.252370      3.442231
  C      -8.900578      5.692129      2.193759
  C      -7.635450      5.762138      1.572901
  C      -6.574482      6.381300      2.210737
  C      -6.743429      6.952169      3.499446
  C      -5.944235      2.963389      6.817463
  C      -6.670795      4.305149      6.662038
  C      -8.191799      4.179247      6.614204
  C      -8.778767      3.542531      5.379494
  N      -7.972670      3.102957      4.414547
  C      -8.538659      2.563325      3.304290
  N      -9.826128      2.406152      3.053948
  C     -10.683685      2.848995      4.025135
  C     -12.079383      2.736461      3.817027
  C     -12.966769      3.189477      4.776632
  C     -12.493460      3.768129      5.973065
  C     -11.133704      3.888987      6.201740
  C     -10.201342      3.435493      5.237185
  H      -2.663580      0.569796      2.551773
  H      -3.981429      1.761062      2.604717
  H      -4.437500      0.246627      4.929210
  H      -3.860587     -0.988476      3.802516
  H      -6.300270     -0.857530      3.682852
  H      -6.256691      0.908721      3.504338
  H      -6.228344      1.864023     -0.811435
  H      -5.128846     -2.372869     -2.205420
  H      -4.651250     -4.534362     -1.038803
  H      -4.708672     -4.654566      1.449094
  H      -5.215987     -2.640748      2.784641
  H      -4.317133      6.041192      5.869484
  H      -2.851797      6.517906      6.717046
  H      -2.234866      7.776359      4.471878
  H      -3.456270      8.476696      5.556255
  H      -4.143325      8.483289      3.105699
  H      -4.081216      6.724071      3.123192
  H      -7.388508      8.486848      6.899411
  H     -10.075059      6.215700      3.936311
  H      -9.722211      5.185375      1.684699
  H      -7.495133      5.326834      0.581847
  H      -5.606879      6.444097      1.711833
  H      -6.209392      2.508801      7.789162
  H      -6.311739      2.280170      6.038072
  H      -6.395413      4.971925      7.493925
  H      -6.317485      4.779213      5.736306
  H      -8.560620      3.628607      7.498603
  H      -8.629841      5.189728      6.695062
  H      -7.834834      2.225100      2.535262
  H     -12.421778      2.287495      2.883915
  H     -14.041934      3.104675      4.609000
  H     -13.205457      4.124154      6.719608
  H     -10.778008      4.347943      7.123993
  N      -5.000324      3.850565      3.839806
  H      -5.981654      3.553974      3.955728
  H      -4.944179      4.481186      3.038380
98
Coordinates from ORCA-job orca E -6204.344669919167
  N      -2.654724      1.876852      4.198570
  Mo     -3.497252      3.450588      5.062873
  N      -4.484655      3.056924      6.716232
  C      -3.727510      3.022465      7.965137
  C      -2.361358      2.394386      7.700933
  N      -1.743645      3.001832      6.494054
  C      -0.837560      2.054443      5.794405
  C      -1.659303      1.106053      4.940165
  C      -1.062370      4.293173      6.773624
  C      -1.146471      5.140519      5.501274
  N      -2.544849      5.215517      5.075458
  H      -0.990834      0.573340      4.237719
  H      -2.133650      0.325954      5.567886
  H      -0.187283      2.648051      5.137831
  H      -0.196049      1.517353      6.515830
  H      -0.725646      6.145202      5.679850
  H      -0.540110      4.683474      4.702785
  H      -1.615538      4.798825      7.578186
  H      -0.027698      4.124823      7.123941
  H      -4.252284      2.413191      8.723596
  H      -3.611505      4.035132      8.402806
  H      -2.508798      1.326327      7.487904
  H      -1.689244      2.484651      8.572816
  C      -3.389362      1.071492      3.220331
  C      -4.319238      0.008547      3.858822
  C      -5.732390     -0.023282      3.241263
  C      -5.744991     -0.124842      1.741954
  N      -6.026811      0.991972      1.065432
  C      -5.992530      0.928578     -0.289899
  N      -5.705721     -0.113984     -1.045436
  C      -5.434938     -1.278858     -0.376449
  C      -5.138317     -2.446266     -1.117353
  C      -4.878625     -3.637654     -0.464027
  C      -4.906544     -3.706014      0.946826
  C      -5.188458     -2.579594      1.695119
  C      -5.451072     -1.341269      1.054341
  C      -3.266951      6.330656      5.709200
  C      -3.242097      7.629598      4.892032
  C      -4.269995      7.603565      3.759598
  C      -5.698285      7.568587      4.255891
  N      -5.950604      8.106648      5.451132
  C      -7.216688      8.024027      5.922011
  N      -8.259401      7.441096      5.352513
  C      -8.035188      6.895210      4.116928
  C      -9.102458      6.253432      3.442458
  C      -8.899819      5.693835      2.193723
  C      -7.634502      5.763875      1.572671
  C      -6.573332      6.382397      2.210761
  C      -6.742390      6.952861      3.499677
  C      -5.944510      2.963892      6.816869
  C      -6.671471      4.305617      6.660956
  C      -8.192257      4.178941      6.613476
  C      -8.779349      3.542469      5.378761
  N      -7.973462      3.103722      4.413525
  C      -8.539668      2.564412      3.303329
  N      -9.827104      2.406551      3.053310
  C     -10.684522      2.848838      4.024867
  C     -12.080249      2.735651      3.817227
  C     -12.967483      3.188025      4.777224
  C     -12.494064      3.766886      5.973599
  C     -11.134253      3.888283      6.201822
  C     -10.201957      3.435074      5.236866
  H      -2.662742      0.570200      2.551879
  H      -3.981847      1.760137      2.605481
  H      -4.435853      0.245411      4.929738
  H      -3.858348     -0.989553      3.802520
  H      -6.298133     -0.860067      3.683451
  H      -6.255748      0.906411      3.505394
  H      -6.228646      1.863101     -0.809789
  H      -5.131652     -2.373280     -2.206094
  H      -4.653408     -4.535435     -1.040537
  H      -4.709458     -4.656356      1.447213
  H      -5.214801     -2.643135      2.783779
  H      -4.317166      6.041701      5.869698
  H      -2.851686      6.517499      6.717741
  H      -2.234330      7.777304      4.473393
  H      -3.456200      8.477089      5.557460
  H      -4.142604      8.484519      3.106358
  H      -4.079993      6.725406      3.123920
  H      -7.387996      8.487131      6.899815
  H     -10.074403      6.216858      3.936619
  H      -9.721660      5.187719      1.684537
  H      -7.494296      5.329421      0.581230
  H      -5.605661      6.445421      1.711726
  H      -6.209645      2.509400      7.788803
  H      -6.311595      2.280372      6.037441
  H      -6.396350      4.973132      7.492818
  H      -6.318441      4.779568      5.734783
  H      -8.560481      3.627738      7.497557
  H      -8.630700      5.189047      6.695037
  H      -7.835534      2.225729      2.533908
  H     -12.422749      2.286659      2.884153
  H     -14.042661      3.102689      4.609937
  H     -13.205942      4.122483      6.720467
  H     -10.778449      4.347223      7.124039
  N      -5.000018      3.850760      3.839372
  H      -5.981389      3.553914      3.954359
  H      -4.943495      4.481497      3.038037
98
Coordinates from ORCA-job orca E -6204.344670741187
  N      -2.654954      1.876806      4.198331
  Mo     -3.497180      3.450703      5.062512
  N      -4.484689      3.057081      6.715769
  C      -3.727327      3.022281      7.964608
  C      -2.361300      2.394025      7.700279
  N      -1.743531      3.001672      6.493501
  C      -0.837564      2.054327      5.793753
  C      -1.659521      1.105923      4.939549
  C      -1.062122      4.292861      6.773382
  C      -1.146234      5.140308      5.501138
  N      -2.544640      5.215638      5.075346
  H      -0.991411      0.573333      4.236846
  H      -2.133838      0.325739      5.567288
  H      -0.187432      2.648026      5.137077
  H      -0.195931      1.517259      6.515131
  H      -0.725063      6.144767      5.679608
  H      -0.540175      4.683146      4.702650
  H      -1.615212      4.798328      7.577984
  H      -0.027492      4.124445      7.123685
  H      -4.252096      2.412997      8.723032
  H      -3.611071      4.034875      8.402369
  H      -2.509014      1.326061      7.486995
  H      -1.689161      2.483966      8.572216
  C      -3.390146      1.071498      3.220459
  C      -4.319471      0.008239      3.859458
  C      -5.732722     -0.024615      3.242155
  C      -5.745311     -0.125746      1.742815
  N      -6.027543      0.991036      1.066501
  C      -5.992891      0.927805     -0.288856
  N      -5.705659     -0.114473     -1.044593
  C      -5.434524     -1.279225     -0.375797
  C      -5.137230     -2.446346     -1.116859
  C      -4.876963     -3.637668     -0.463726
  C      -4.904806     -3.706248      0.947143
  C      -5.187468     -2.580075      1.695598
  C      -5.450754     -1.341821      1.054996
  C      -3.266271      6.330841      5.709153
  C      -3.242064      7.629562      4.891741
  C      -4.270590      7.602898      3.759836
  C      -5.698708      7.568282      4.256687
  N      -5.950620      8.105963      5.452194
  C      -7.216621      8.023432      5.923311
  N      -8.259513      7.440764      5.353898
  C      -8.035702      6.895371      4.118007
  C      -9.103144      6.253981      3.443477
  C      -8.900814      5.694821      2.194480
  C      -7.635668      5.764983      1.573167
  C      -6.574354      6.383184      2.211291
  C      -6.743078      6.953098      3.500487
  C      -5.944608      2.964095      6.816444
  C      -6.671512      4.305718      6.660493
  C      -8.192294      4.179113      6.613222
  C      -8.779328      3.542689      5.378371
  N      -7.973328      3.103842      4.413166
  C      -8.539419      2.564733      3.302820
  N      -9.826935      2.407205      3.052638
  C     -10.684401      2.849527      4.024151
  C     -12.080125      2.736636      3.816311
  C     -12.967427      3.189001      4.776208
  C     -12.494113      3.767710      5.972684
  C     -11.134348      3.888964      6.201121
  C     -10.201944      3.435587      5.236274
  H      -2.663788      0.570342      2.551526
  H      -3.982967      1.760223      2.605937
  H      -4.436087      0.245360      4.930174
  H      -3.858100     -0.989496      3.803399
  H      -6.297865     -0.861990      3.684197
  H      -6.256778      0.904596      3.506584
  H      -6.230125      1.862474     -0.808709
  H      -5.130513     -2.373206     -2.205590
  H      -4.651270     -4.535184     -1.040388
  H      -4.707072     -4.656558      1.447458
  H      -5.213707     -2.643803      2.784274
  H      -4.316184      6.041870      5.870394
  H      -2.850363      6.517975      6.717150
  H      -2.234516      7.777421      4.472672
  H      -3.456106      8.477147      5.557188
  H      -4.143444      8.483294      3.105729
  H      -4.081039      6.724040      3.124767
  H      -7.387581      8.485993      6.901371
  H     -10.074965      6.217323      3.937798
  H      -9.722764      5.188944      1.685261
  H      -7.495690      5.330761      0.581470
  H      -5.606758      6.446247      1.712107
  H      -6.209790      2.509656      7.788296
  H      -6.311706      2.280613      6.037101
  H      -6.396150      4.973298      7.492110
  H      -6.318657      4.779441      5.734232
  H      -8.560422      3.627817      7.497378
  H      -8.630727      5.189261      6.694862
  H      -7.835405      2.226564      2.533485
  H     -12.422537      2.287749      2.883157
  H     -14.042558      3.103766      4.608770
  H     -13.206017      4.123209      6.719459
  H     -10.778625      4.347778      7.123419
  N      -4.999652      3.851275      3.838831
  H      -5.980964      3.554308      3.953857
  H      -4.943202      4.482325      3.037765
98
Coordinates from ORCA-job orca E -6204.344671835373
  N      -2.654421      1.877277      4.198348
  Mo     -3.496898      3.450988      5.063198
  N      -4.484368      3.056878      6.716332
  C      -3.727005      3.022238      7.965157
  C      -2.360830      2.394268      7.700770
  N      -1.743233      3.002009      6.493924
  C      -0.837140      2.054666      5.794197
  C      -1.658916      1.106386      4.939623
  C      -1.061891      4.293291      6.773837
  C      -1.146100      5.140795      5.501766
  N      -2.544525      5.216120      5.075969
  H      -0.990542      0.574242      4.236953
  H      -2.133300      0.325813      5.567044
  H      -0.186820      2.648426      5.137808
  H      -0.195714      1.517474      6.515625
  H      -0.724819      6.145235      5.680254
  H      -0.540129      4.683649      4.703286
  H      -1.614970      4.798641      7.578426
  H      -0.027283      4.124982      7.124046
  H      -4.251618      2.412814      8.723541
  H      -3.610999      4.034865      8.402913
  H      -2.508322      1.326234      7.487531
  H      -1.688656      2.484396      8.572645
  C      -3.389274      1.072036      3.220240
  C      -4.318840      0.008699      3.859028
  C      -5.732305     -0.023283      3.242168
  C      -5.745292     -0.124584      1.742862
  N      -6.026850      0.992237      1.066448
  C      -5.993006      0.928682     -0.288902
  N      -5.707213     -0.114028     -1.044566
  C      -5.436604     -1.278880     -0.375646
  C      -5.140881     -2.446494     -1.116612
  C      -4.881356     -3.637858     -0.463374
  C      -4.908116     -3.706033      0.947551
  C      -5.189299     -2.579365      1.695920
  C      -5.452038     -1.341039      1.055171
  C      -3.266159      6.331473      5.709622
  C      -3.242366      7.630025      4.891870
  C      -4.270805      7.602693      3.759970
  C      -5.698977      7.568222      4.256727
  N      -5.951044      8.105996      5.452108
  C      -7.217057      8.023377      5.923066
  N      -8.259854      7.440574      5.353605
  C      -8.035898      6.895135      4.117785
  C      -9.103165      6.253420      3.443203
  C      -8.900700      5.694153      2.194313
  C      -7.635644      5.764662      1.573141
  C      -6.574502      6.383215      2.211283
  C      -6.743292      6.953068      3.500432
  C      -5.944229      2.963648      6.817018
  C      -6.671148      4.305206      6.660862
  C      -8.191991      4.178817      6.613071
  C      -8.778585      3.542218      5.378083
  N      -7.972163      3.103036      4.413362
  C      -8.537698      2.563438      3.302882
  N      -9.825075      2.405632      3.052245
  C     -10.682973      2.848175      4.023278
  C     -12.078609      2.734904      3.814938
  C     -12.966400      3.187441      4.774342
  C     -12.493597      3.766602      5.970771
  C     -11.133908      3.888215      6.199690
  C     -10.201097      3.434846      5.235384
  H      -2.662599      0.571050      2.551534
  H      -3.981861      1.760798      2.605676
  H      -4.435122      0.245286      4.929788
  H      -3.857859     -0.989121      3.802357
  H      -6.297814     -0.860304      3.684302
  H      -6.255816      0.906211      3.506751
  H      -6.229707      1.863449     -0.808822
  H      -5.134922     -2.373656     -2.205369
  H      -4.657067     -4.535688     -1.039976
  H      -4.710796     -4.656403      1.448012
  H      -5.214713     -2.642791      2.784649
  H      -4.316012      6.042419      5.871338
  H      -2.849895      6.519066      6.717458
  H      -2.234791      7.778326      4.472819
  H      -3.456845      8.477660      5.557220
  H      -4.143609      8.482778      3.105485
  H      -4.081243      6.723497      3.125354
  H      -7.388174      8.486160      6.901053
  H     -10.074910      6.216486      3.937463
  H      -9.722492      5.187887      1.685095
  H      -7.495572      5.330275      0.581565
  H      -5.606898      6.446386      1.712236
  H      -6.209381      2.509197      7.788842
  H      -6.311210      2.280067      6.037641
  H      -6.395935      4.972731      7.492433
  H      -6.318015      4.778761      5.734684
  H      -8.560482      3.627734      7.497238
  H      -8.630399      5.189017      6.694344
  H      -7.833367      2.225087      2.533967
  H     -12.420585      2.285626      2.881815
  H     -14.041498      3.101944      4.606553
  H     -13.205906      4.122283      6.717136
  H     -10.778630      4.347475      7.121949
  N      -4.999339      3.851811      3.839361
  H      -5.980672      3.554771      3.954155
  H      -4.942822      4.483519      3.038824
98
Coordinates from ORCA-job orca E -6204.344672985005
  N      -2.653746      1.878081      4.199113
  Mo     -3.496636      3.451582      5.064172
  N      -4.484035      3.057193      6.717159
  C      -3.726657      3.022284      7.965990
  C      -2.360153      2.394996      7.701381
  N      -1.742812      3.003237      6.494587
  C      -0.836231      2.056340      5.794840
  C      -1.657258      1.107831      4.939810
  C      -1.062028      4.294827      6.774602
  C      -1.146340      5.142233      5.502511
  N      -2.544754      5.217329      5.076676
  H      -0.988309      0.576948      4.236655
  H      -2.130569      0.326183      5.566726
  H      -0.185957      2.650495      5.138807
  H      -0.194795      1.519235      6.516271
  H      -0.725057      6.146747      5.680839
  H      -0.540301      4.684959      4.704141
  H      -1.615440      4.799937      7.579104
  H      -0.027393      4.126935      7.124881
  H      -4.251026      2.412240      8.724064
  H      -3.611184      4.034801      8.404159
  H      -2.507128      1.326900      7.487943
  H      -1.688009      2.485265      8.573240
  C      -3.387292      1.072691      3.220164
  C      -4.315957      0.007916      3.858106
  C      -5.730063     -0.023083      3.242752
  C      -5.744714     -0.124155      1.743472
  N      -6.025492      0.992955      1.067409
  C      -5.993930      0.929247     -0.287982
  N      -5.711297     -0.114041     -1.044009
  C      -5.441446     -1.279256     -0.375412
  C      -5.149252     -2.447573     -1.116757
  C      -4.890711     -3.639315     -0.463856
  C      -4.914861     -3.707107      0.947134
  C      -5.192620     -2.579745      1.695845
  C      -5.454421     -1.341083      1.055425
  C      -3.266393      6.332575      5.710569
  C      -3.242746      7.631439      4.893339
  C      -4.270514      7.604135      3.760821
  C      -5.698927      7.569549      4.257032
  N      -5.951606      8.107526      5.452158
  C      -7.217664      8.024213      5.922803
  N      -8.260011      7.440623      5.353286
  C      -8.035457      6.895091      4.117651
  C      -9.102131      6.252413      3.443028
  C      -8.899033      5.692872      2.194368
  C      -7.633929      5.764262      1.573434
  C      -6.573413      6.383825      2.211601
  C      -6.742778      6.953776      3.500596
  C      -5.943894      2.963367      6.817886
  C      -6.671136      4.304621      6.661147
  C      -8.192015      4.178128      6.612524
  C      -8.777733      3.541139      5.377272
  N      -7.970548      3.101530      4.413379
  C      -8.535160      2.561468      3.302589
  N      -9.822329      2.403288      3.051128
  C     -10.680985      2.845979      4.021420
  C     -12.076419      2.731914      3.812271
  C     -12.965027      3.184522      4.770914
  C     -12.493204      3.764617      5.967282
  C     -11.133698      3.886977      6.196977
  C     -10.200123      3.433496      5.233540
  H      -2.659781      0.573287      2.551295
  H      -3.980408      1.761279      2.606003
  H      -4.431229      0.242799      4.929397
  H      -3.854884     -0.989809      3.799337
  H      -6.295484     -0.859932      3.685143
  H      -6.252892      0.906528      3.508314
  H      -6.229974      1.864404     -0.807613
  H      -5.145224     -2.374989     -2.205529
  H      -4.669139     -4.537740     -1.040762
  H      -4.718235     -4.657746      1.447425
  H      -5.215965     -2.642974      2.784624
  H      -4.316254      6.043452      5.872388
  H      -2.849948      6.520094      6.718418
  H      -2.234938      7.781017      4.475291
  H      -3.458592      8.478396      5.559071
  H      -4.143098      8.484322      3.106581
  H      -4.080675      6.724978      3.126216
  H      -7.389298      8.487234      6.900648
  H     -10.073917      6.214879      3.937173
  H      -9.720344      5.185754      1.685209
  H      -7.493359      5.329753      0.582068
  H      -5.605781      6.447631      1.712753
  H      -6.208878      2.509153      7.789811
  H      -6.310532      2.279372      6.038725
  H      -6.396365      4.972266      7.492608
  H      -6.317651      4.777958      5.735072
  H      -8.561037      3.627289      7.496708
  H      -8.630594      5.188369      6.693211
  H      -7.830311      2.223088      2.534343
  H     -12.417599      2.281966      2.879174
  H     -14.039989      3.098355      4.602565
  H     -13.206183      4.120471      6.713004
  H     -10.779212      4.346945      7.119195
  N      -4.998773      3.852955      3.839895
  H      -5.979851      3.554762      3.953667
  H      -4.942326      4.486818      3.041057
98
Coordinates from ORCA-job orca E -6204.344673732567
  N      -2.653643      1.878853      4.199693
  Mo     -3.496483      3.452427      5.064995
  N      -4.483790      3.057801      6.717855
  C      -3.726241      3.022421      7.966743
  C      -2.359660      2.395401      7.701827
  N      -1.742441      3.004169      6.495201
  C      -0.835584      2.057727      5.795159
  C      -1.656315      1.109092      4.939790
  C      -1.061972      4.295863      6.775569
  C      -1.146441      5.143348      5.503518
  N      -2.544934      5.218638      5.077755
  H      -0.987072      0.579306      4.236088
  H      -2.128751      0.326533      5.566286
  H      -0.185507      2.652309      5.139215
  H      -0.193870      1.520709      6.516533
  H      -0.724869      6.147690      5.681643
  H      -0.540638      4.685884      4.705164
  H      -1.615588      4.800616      7.580096
  H      -0.027335      4.128174      7.125902
  H      -4.250491      2.412020      8.724547
  H      -3.610884      4.034765      8.405276
  H      -2.506502      1.327397      7.487936
  H      -1.687489      2.485438      8.573689
  C      -3.386221      1.073283      3.220049
  C      -4.313658      0.007099      3.857581
  C      -5.728297     -0.024377      3.243651
  C      -5.744502     -0.124819      1.744329
  N      -6.025112      0.992672      1.068819
  C      -5.995451      0.929185     -0.286632
  N      -5.715201     -0.114346     -1.043241
  C      -5.445553     -1.279944     -0.375177
  C      -5.156196     -2.448551     -1.117127
  C      -4.897945     -3.640717     -0.464820
  C      -4.919349     -3.708597      0.946217
  C      -5.194244     -2.580993      1.695497
  C      -5.456044     -1.341931      1.055667
  C      -3.266138      6.334074      5.711860
  C      -3.242933      7.632737      4.894342
  C      -4.270423      7.604263      3.761612
  C      -5.698833      7.570172      4.257673
  N      -5.951658      8.108672      5.452533
  C      -7.217821      8.025530      5.923030
  N      -8.260087      7.441700      5.353646
  C      -8.035363      6.895771      4.118155
  C      -9.101913      6.252799      3.443588
  C      -8.898708      5.692956      2.195095
  C      -7.633576      5.764422      1.574154
  C      -6.573120      6.384112      2.212337
  C      -6.742655      6.954293      3.501237
  C      -5.943753      2.963634      6.818625
  C      -6.671173      4.304721      6.661069
  C      -8.191972      4.178108      6.611641
  C      -8.776800      3.540814      5.376110
  N      -7.968894      3.101255      4.412872
  C      -8.532527      2.560678      3.301838
  N      -9.819454      2.401649      3.049705
  C     -10.678858      2.844223      4.019393
  C     -12.074165      2.729106      3.809650
  C     -12.963616      3.181559      4.767612
  C     -12.492766      3.762677      5.963834
  C     -11.133402      3.886065      6.194125
  C     -10.199012      3.432586      5.231470
  H      -2.657924      0.575484      2.550694
  H      -3.980165      1.761766      2.606433
  H      -4.428257      0.240905      4.929109
  H      -3.851900     -0.990240      3.797438
  H      -6.292753     -0.861935      3.686184
  H      -6.251535      0.904721      3.510353
  H      -6.230770      1.864648     -0.805686
  H      -5.154195     -2.375860     -2.205901
  H      -4.678811     -4.539331     -1.042223
  H      -4.723021     -4.659468      1.446101
  H      -5.215564     -2.644394      2.784313
  H      -4.315875      6.045139      5.874460
  H      -2.849040      6.521851      6.719328
  H      -2.234969      7.783239      4.476746
  H      -3.459927      8.479576      5.559954
  H      -4.143001      8.483581      3.106130
  H      -4.080497      6.724277      3.128250
  H      -7.389610      8.489000      6.900623
  H     -10.073701      6.215271      3.937680
  H      -9.719959      5.185604      1.686035
  H      -7.493002      5.329920      0.582798
  H      -5.605438      6.447987      1.713620
  H      -6.208672      2.509648      7.790730
  H      -6.310037      2.279195      6.039643
  H      -6.396807      4.972732      7.492432
  H      -6.317383      4.777653      5.734912
  H      -8.561419      3.627473      7.495675
  H      -8.630676      5.188265      6.691888
  H      -7.826918      2.222347      2.534097
  H     -12.414564      2.278422      2.876650
  H     -14.038480      3.094479      4.598850
  H     -13.206385      4.118416      6.708971
  H     -10.779707      4.346797      7.116227
  N      -4.998216      3.854486      3.840684
  H      -5.979476      3.556465      3.953743
  H      -4.940920      4.488524      3.042023
98
Coordinates from ORCA-job orca E -6204.344674292018
  N      -2.653927      1.878345      4.199837
  Mo     -3.496760      3.451907      5.064872
  N      -4.483931      3.057668      6.717931
  C      -3.726332      3.022523      7.966750
  C      -2.359781      2.395296      7.701787
  N      -1.742647      3.003822      6.494937
  C      -0.835875      2.057227      5.795017
  C      -1.656668      1.108484      4.939981
  C      -1.062049      4.295527      6.774987
  C      -1.146472      5.142733      5.502726
  N      -2.544986      5.217995      5.077154
  H      -0.987639      0.578252      4.236263
  H      -2.129099      0.326235      5.566764
  H      -0.185868      2.651616      5.138932
  H      -0.194138      1.520291      6.516333
  H      -0.724821      6.147127      5.680606
  H      -0.540739      4.685026      4.704373
  H      -1.615603      4.800614      7.579413
  H      -0.027426      4.127764      7.125346
  H      -4.250581      2.412337      8.724816
  H      -3.610855      4.035004      8.405019
  H      -2.506775      1.327246      7.488135
  H      -1.687466      2.485395      8.573540
  C      -3.386909      1.072633      3.220574
  C      -4.314290      0.006677      3.858523
  C      -5.728684     -0.025515      3.243880
  C      -5.744340     -0.125573      1.744541
  N      -6.025636      0.992033      1.069383
  C      -5.995492      0.929089     -0.286046
  N      -5.714180     -0.113916     -1.042935
  C      -5.443774     -1.279566     -0.375267
  C      -5.152955     -2.447614     -1.117538
  C      -4.893874     -3.639821     -0.465590
  C      -4.916085     -3.708232      0.945353
  C      -5.192455     -2.581168      1.694962
  C      -5.454828     -1.342144      1.055539
  C      -3.266120      6.333541      5.711100
  C      -3.242906      7.632089      4.893402
  C      -4.270664      7.603725      3.760871
  C      -5.698960      7.569502      4.257209
  N      -5.951471      8.107486      5.452349
  C      -7.217564      8.024325      5.923061
  N      -8.260037      7.440908      5.353600
  C      -8.035656      6.895437      4.117881
  C      -9.102492      6.253016      3.443255
  C      -8.899547      5.693647      2.194533
  C      -7.634376      5.764880      1.573485
  C      -6.573690      6.384107      2.211718
  C      -6.742980      6.953937      3.500790
  C      -5.943897      2.963609      6.818849
  C      -6.671261      4.304764      6.661425
  C      -8.192111      4.178282      6.612313
  C      -8.777298      3.541295      5.376796
  N      -7.969664      3.101952      4.413247
  C      -8.533631      2.561907      3.302164
  N      -9.820635      2.403348      3.050190
  C     -10.679805      2.845844      4.020119
  C     -12.075142      2.731336      3.810471
  C     -12.964274      3.183741      4.768708
  C     -12.493112      3.764283      5.965101
  C     -11.133711      3.887049      6.195309
  C     -10.199588      3.433535      5.232372
  H      -2.659074      0.574606      2.551018
  H      -3.981067      1.761028      2.607074
  H      -4.429337      0.241317      4.929986
  H      -3.852260     -0.990704      3.799303
  H      -6.292848     -0.863377      3.686047
  H      -6.252506      0.903249      3.510486
  H      -6.231649      1.864645     -0.804868
  H      -5.150406     -2.374537     -2.206259
  H      -4.673416     -4.538050     -1.043252
  H      -4.719051     -4.659138      1.444956
  H      -5.214313     -2.644982      2.783707
  H      -4.315905      6.044679      5.873740
  H      -2.848938      6.521429      6.718552
  H      -2.235073      7.782142      4.475559
  H      -3.459453      8.479129      5.558884
  H      -4.143552      8.483074      3.105474
  H      -4.080645      6.723881      3.127392
  H      -7.389020      8.487336      6.900927
  H     -10.074278      6.215567      3.937426
  H      -9.720953      5.186721      1.685385
  H      -7.493955      5.330555      0.581961
  H      -5.606000      6.447904      1.712864
  H      -6.208719      2.509723      7.791005
  H      -6.310336      2.279147      6.039978
  H      -6.396620      4.972709      7.492743
  H      -6.317632      4.777718      5.735225
  H      -8.561449      3.627485      7.496316
  H      -8.630630      5.188551      6.692786
  H      -7.828213      2.223680      2.534171
  H     -12.415812      2.281148      2.877330
  H     -14.039160      3.097166      4.600010
  H     -13.206524      4.120094      6.710451
  H     -10.779738      4.347333      7.117540
  N      -4.998709      3.853402      3.840652
  H      -5.979839      3.555157      3.953991
  H      -4.941853      4.487116      3.041686
98
Coordinates from ORCA-job orca E -6204.344673506112
  N      -2.653979      1.878060      4.199595
  Mo     -3.496829      3.451545      5.064629
  N      -4.484030      3.057488      6.717797
  C      -3.726392      3.022365      7.966588
  C      -2.359963      2.394940      7.701676
  N      -1.742776      3.003358      6.494816
  C      -0.836052      2.056730      5.794918
  C      -1.656948      1.108048      4.939937
  C      -1.062133      4.295033      6.774841
  C      -1.146469      5.142231      5.502503
  N      -2.544991      5.217432      5.076860
  H      -0.988057      0.577523      4.236391
  H      -2.129644      0.326122      5.566869
  H      -0.186069      2.651080      5.138779
  H      -0.194311      1.519761      6.516197
  H      -0.724950      6.146673      5.680456
  H      -0.540609      4.684594      4.704135
  H      -1.615714      4.800224      7.579243
  H      -0.027502      4.127201      7.125306
  H      -4.250691      2.412379      8.724786
  H      -3.610705      4.034871      8.404714
  H      -2.507098      1.326911      7.488064
  H      -1.687639      2.484975      8.573443
  C      -3.387396      1.072309      3.220676
  C      -4.314849      0.006708      3.858908
  C      -5.729076     -0.025967      3.243824
  C      -5.744320     -0.125887      1.744456
  N      -6.025966      0.991715      1.069357
  C      -5.995153      0.928977     -0.286085
  N      -5.712709     -0.113782     -1.043015
  C      -5.442011     -1.279370     -0.375418
  C      -5.150100     -2.447090     -1.117721
  C      -4.890587     -3.639239     -0.465784
  C      -4.913450     -3.707931      0.945154
  C      -5.190922     -2.581188      1.694806
  C      -5.453804     -1.342207      1.055398
  C      -3.266231      6.333001      5.710531
  C      -3.242920      7.631355      4.892575
  C      -4.270947      7.603028      3.760298
  C      -5.699200      7.568935      4.256920
  N      -5.951395      8.106767      5.452210
  C      -7.217423      8.023835      5.923140
  N      -8.260096      7.440733      5.353737
  C      -8.036042      6.895389      4.117890
  C      -9.103150      6.253442      3.443293
  C      -8.900496      5.694174      2.194421
  C      -7.635353      5.765049      1.573263
  C      -6.574437      6.383851      2.211442
  C      -6.743438      6.953603      3.500598
  C      -5.944031      2.963714      6.818770
  C      -6.671241      4.304962      6.661410
  C      -8.192105      4.178556      6.612644
  C      -8.777636      3.541664      5.377272
  N      -7.970264      3.102315      4.413443
  C      -8.534576      2.562577      3.302409
  N      -9.821701      2.404499      3.050622
  C     -10.680588      2.847014      4.020790
  C     -12.075979      2.733053      3.811305
  C     -12.964804      3.185577      4.769779
  C     -12.493283      3.765593      5.966293
  C     -11.133824      3.887780      6.196355
  C     -10.199996      3.434243      5.233135
  H      -2.659881      0.573774      2.551108
  H      -3.981484      1.760739      2.607074
  H      -4.430212      0.241851      4.930239
  H      -3.852713     -0.990625      3.800334
  H      -6.293074     -0.864000      3.685871
  H      -6.253221      0.902653      3.510261
  H      -6.231315      1.864406     -0.804839
  H      -5.147020     -2.373828     -2.206456
  H      -4.669224     -4.537235     -1.043461
  H      -4.716078     -4.658789      1.444679
  H      -5.213322     -2.645139      2.783557
  H      -4.315991      6.044073      5.873045
  H      -2.849225      6.521017      6.717979
  H      -2.235175      7.780838      4.474371
  H      -3.458890      8.478664      5.557812
  H      -4.143881      8.482391      3.104920
  H      -4.081083      6.723164      3.126641
  H      -7.388574      8.486661      6.901139
  H     -10.074977      6.216330      3.937577
  H      -9.722139      5.187683      1.685257
  H      -7.495144      5.330926      0.581712
  H      -5.606826      6.447489      1.712482
  H      -6.208881      2.509986      7.790976
  H      -6.310685      2.279282      6.040024
  H      -6.396390      4.972944      7.492647
  H      -6.317698      4.777904      5.735138
  H      -8.561378      3.627767      7.496695
  H      -8.630462      5.188912      6.693178
  H      -7.829429      2.224552      2.534234
  H     -12.416936      2.283207      2.878087
  H     -14.039726      3.099457      4.601185
  H     -13.206432      4.121388      6.711848
  H     -10.779537      4.347628      7.118677
  N      -4.998999      3.852596      3.840523
  H      -5.980032      3.554274      3.954369
  H      -4.942385      4.485527      3.040943
98
Coordinates from ORCA-job orca E -6204.344761454008
  N      -2.651936      1.874557      4.197033
  Mo     -3.492271      3.447641      5.066867
  N      -4.474458      3.045980      6.720652
  C      -3.713894      3.013283      7.967518
  C      -2.346145      2.390420      7.700300
  N      -1.732766      3.000161      6.492734
  C      -0.827760      2.057147      5.785920
  C      -1.648631      1.108415      4.930179
  C      -1.053691      4.292832      6.770215
  C      -1.145593      5.143564      5.500962
  N      -2.545193      5.216439      5.081202
  H      -0.978773      0.582275      4.223552
  H      -2.117102      0.321906      5.556602
  H      -0.180784      2.654988      5.129577
  H      -0.183049      1.519046      6.503662
  H      -0.727782      6.148948      5.681950
  H      -0.540748      4.691580      4.698818
  H      -1.602802      4.794734      7.579809
  H      -0.016377      4.126580      7.113098
  H      -4.234357      2.401936      8.725996
  H      -3.600243      4.025754      8.404928
  H      -2.488516      1.321510      7.487441
  H      -1.673074      2.484309      8.571032
  C      -3.388787      1.065631      3.222910
  C      -4.298081     -0.013407      3.865099
  C      -5.723437     -0.046415      3.278028
  C      -5.764495     -0.146211      1.779507
  N      -6.069203      0.967578      1.110346
  C      -6.065144      0.902944     -0.245373
  N      -5.789823     -0.138675     -1.007604
  C      -5.493396     -1.300651     -0.345334
  C      -5.205894     -2.467034     -1.093183
  C      -4.917215     -3.654453     -0.446593
  C      -4.908181     -3.720540      0.964654
  C      -5.180813     -2.595108      1.719387
  C      -5.473998     -1.360638      1.085114
  C      -3.265866      6.330889      5.718255
  C      -3.247945      7.628956      4.898537
  C      -4.279163      7.601812      3.768751
  C      -5.705887      7.591050      4.268523
  N      -5.946344      8.139814      5.460831
  C      -7.213753      8.087959      5.931817
  N      -8.269640      7.529754      5.362999
  C      -8.057556      6.975841      4.129162
  C      -9.140186      6.361470      3.454025
  C      -8.950595      5.791813      2.208660
  C      -7.682865      5.825987      1.590379
  C      -6.607808      6.421371      2.226691
  C      -6.763727      6.999378      3.513217
  C      -5.933757      2.944998      6.821779
  C      -6.666394      4.285453      6.676282
  C      -8.185604      4.153335      6.607507
  C      -8.751883      3.533489      5.354348
  N      -7.929606      3.119271      4.392300
  C      -8.476020      2.598394      3.262882
  N      -9.758140      2.429333      2.993939
  C     -10.631842      2.843331      3.963675
  C     -12.023519      2.712652      3.738923
  C     -12.927761      3.136745      4.696106
  C     -12.475646      3.703883      5.906561
  C     -11.120168      3.841540      6.152045
  C     -10.171159      3.414884      5.191504
  H      -2.664108      0.579466      2.541405
  H      -3.998050      1.749948      2.620781
  H      -4.394450      0.207268      4.940154
  H      -3.832672     -1.007209      3.785326
  H      -6.277395     -0.886037      3.728120
  H      -6.243561      0.880298      3.556242
  H      -6.321082      1.835468     -0.759697
  H      -5.227550     -2.395232     -2.181569
  H      -4.699718     -4.551523     -1.028374
  H      -4.688290     -4.667600      1.460224
  H      -5.177261     -2.657202      2.808293
  H      -4.313672      6.040299      5.888629
  H      -2.842960      6.521644      6.723254
  H      -2.241497      7.780861      4.477191
  H      -3.463311      8.476439      5.564806
  H      -4.143931      8.475618      3.106474
  H      -4.101588      6.715622      3.140775
  H      -7.373890      8.555512      6.909456
  H     -10.112478      6.350425      3.947152
  H      -9.783946      5.303438      1.701132
  H      -7.551435      5.377979      0.604056
  H      -5.637534      6.455320      1.730198
  H      -6.196865      2.480837      7.790231
  H      -6.297795      2.266200      6.036084
  H      -6.403946      4.943056      7.520239
  H      -6.305320      4.773987      5.760564
  H      -8.563412      3.587657      7.478486
  H      -8.629984      5.159967      6.698351
  H      -7.758693      2.282529      2.496051
  H     -12.349420      2.274215      2.794567
  H     -13.999816      3.036970      4.515856
  H     -13.200663      4.037526      6.650729
  H     -10.780994      4.289690      7.086159
  N      -4.996131      3.852723      3.844801
  H      -5.975947      3.550767      3.956463
  H      -4.936856      4.482411      3.042158
98
Coordinates from ORCA-job orca E -6204.344814635362
  N      -2.645364      1.883485      4.202197
  Mo     -3.484599      3.455152      5.075950
  N      -4.476900      3.044394      6.721879
  C      -3.722206      3.008916      7.971925
  C      -2.353799      2.385326      7.711959
  N      -1.732387      2.997483      6.510442
  C      -0.827575      2.057550      5.799860
  C      -1.643911      1.114909      4.932691
  C      -1.053309      4.288567      6.794426
  C      -1.139233      5.148642      5.530586
  N      -2.535710      5.222559      5.103966
  H      -0.968684      0.593369      4.226469
  H      -2.115113      0.323148      5.551953
  H      -0.176443      2.659170      5.151293
  H      -0.187811      1.512374      6.516010
  H      -0.726213      6.154069      5.723449
  H      -0.527467      4.705019      4.728152
  H      -1.602686      4.786694      7.607120
  H      -0.016092      4.119141      7.137307
  H      -4.246837      2.397637      8.726700
  H      -3.608940      4.020465      8.410182
  H      -2.493113      1.316357      7.496304
  H      -1.686718      2.478693      8.587442
  C      -3.378101      1.079925      3.219475
  C      -4.282981     -0.011797      3.845374
  C      -5.708920     -0.036213      3.259796
  C      -5.749054     -0.131061      1.761149
  N      -6.056467      0.983548      1.096138
  C      -6.055815      0.920181     -0.259598
  N      -5.782015     -0.121125     -1.025113
  C      -5.479973     -1.283204     -0.366874
  C      -5.192884     -2.448670     -1.118284
  C      -4.894281     -3.635020     -0.475442
  C      -4.878676     -3.701406      0.935556
  C      -5.151749     -2.576981      1.693684
  C      -5.454981     -1.343646      1.063107
  C      -3.262831      6.338345      5.730179
  C      -3.259095      7.625203      4.892645
  C      -4.277698      7.564428      3.752354
  C      -5.709268      7.543224      4.235731
  N      -5.968721      8.102011      5.418555
  C      -7.241369      8.046328      5.874305
  N      -8.285886      7.477172      5.296877
  C      -8.053425      6.909993      4.073407
  C      -9.123201      6.282105      3.390894
  C      -8.913886      5.699166      2.155635
  C      -7.637017      5.731455      1.555700
  C      -6.574998      6.341552      2.198165
  C      -6.752371      6.934906      3.474001
  C      -5.937284      2.940451      6.817293
  C      -6.672461      4.283346      6.694681
  C      -8.193471      4.157170      6.637759
  C      -8.780269      3.559839      5.382455
  N      -7.974146      3.147252      4.406397
  C      -8.538943      2.647346      3.275711
  N      -9.825499      2.491214      3.020714
  C     -10.682971      2.901830      4.006336
  C     -12.078009      2.779018      3.799836
  C     -12.966567      3.199225      4.773361
  C     -12.494871      3.753846      5.982728
  C     -11.135589      3.882340      6.211181
  C     -10.202410      3.457260      5.234540
  H      -2.651898      0.607077      2.530855
  H      -3.992680      1.766567      2.626170
  H      -4.378294      0.190647      4.923905
  H      -3.817272     -1.003836      3.748494
  H      -6.265128     -0.875389      3.705042
  H      -6.224569      0.890457      3.543142
  H      -6.313257      1.853038     -0.771103
  H      -5.219583     -2.375983     -2.206304
  H      -4.676222     -4.532052     -1.059851
  H      -4.651098     -4.647291      1.428003
  H      -5.142190     -2.639226      2.782308
  H      -4.307142      6.039983      5.907080
  H      -2.840003      6.546601      6.732260
  H      -2.251583      7.790002      4.479114
  H      -3.496809      8.477721      5.545010
  H      -4.148509      8.429614      3.077107
  H      -4.080556      6.671045      3.139921
  H      -7.415942      8.519855      6.846716
  H     -10.101698      6.269861      3.872009
  H      -9.736923      5.198922      1.643902
  H      -7.487824      5.265822      0.581191
  H      -5.597363      6.371862      1.716475
  H      -6.199640      2.462576      7.779769
  H      -6.301417      2.272019      6.022375
  H      -6.403140      4.928364      7.546423
  H      -6.317201      4.786576      5.783888
  H      -8.566519      3.581797      7.504857
  H      -8.631846      5.164338      6.748854
  H      -7.833622      2.329278      2.499664
  H     -12.419334      2.350869      2.855635
  H     -14.041340      3.104291      4.607301
  H     -13.207549      4.084771      6.739731
  H     -10.780879      4.318172      7.145820
  N      -4.977971      3.875703      3.844071
  H      -5.958782      3.577733      3.952263
  H      -4.908422      4.504306      3.040693
98
Coordinates from ORCA-job orca E -6204.344867519531
  N      -2.639277      1.873498      4.207649
  Mo     -3.473821      3.455803      5.063578
  N      -4.475239      3.061406      6.708354
  C      -3.727554      3.041399      7.962450
  C      -2.360553      2.407417      7.716864
  N      -1.730053      3.000570      6.510277
  C      -0.830377      2.046174      5.813027
  C      -1.650512      1.101809      4.952517
  C      -1.041240      4.289045      6.781489
  C      -1.119682      5.137868      5.509343
  N      -2.515665      5.216932      5.082607
  H      -0.977268      0.563873      4.256640
  H      -2.132994      0.323549      5.578653
  H      -0.172251      2.635751      5.161092
  H      -0.197646      1.502640      6.536372
  H      -0.701417      6.142615      5.695418
  H      -0.509412      4.684550      4.710760
  H      -1.587001      4.800330      7.588568
  H      -0.005557      4.114709      7.127116
  H      -4.258700      2.442973      8.724182
  H      -3.611375      4.059063      8.386798
  H      -2.504562      1.336452      7.514607
  H      -1.697027      2.508248      8.594398
  C      -3.377408      1.067767      3.231407
  C      -4.297032     -0.006177      3.865219
  C      -5.718879     -0.021587      3.267383
  C      -5.749044     -0.119106      1.768286
  N      -6.040031      0.998836      1.099083
  C      -6.026068      0.934981     -0.256437
  N      -5.753743     -0.108927     -1.018145
  C      -5.469865     -1.273640     -0.356191
  C      -5.184031     -2.441358     -1.103835
  C      -4.905643     -3.631116     -0.457124
  C      -4.910010     -3.698067      0.953607
  C      -5.182828     -2.571573      1.708342
  C      -5.461871     -1.334787      1.074140
  C      -3.235407      6.337924      5.707410
  C      -3.236457      7.620717      4.864465
  C      -4.279301      7.564353      3.746667
  C      -5.700217      7.551503      4.261488
  N      -5.926831      8.097093      5.457121
  C      -7.188966      8.046618      5.942740
  N      -8.251937      7.494176      5.382946
  C      -8.053112      6.937145      4.149096
  C      -9.144665      6.326290      3.485532
  C      -8.968823      5.754168      2.240084
  C      -7.704505      5.777316      1.612255
  C      -6.622205      6.371220      2.235622
  C      -6.765515      6.956075      3.519815
  C      -5.935182      2.953250      6.793932
  C      -6.675478      4.290627      6.647663
  C      -8.195547      4.154620      6.587260
  C      -8.775919      3.532729      5.340986
  N      -7.965245      3.105204      4.375260
  C      -8.525183      2.578816      3.254520
  N      -9.810644      2.414246      2.999133
  C     -10.672743      2.841195      3.973561
  C     -12.066686      2.712914      3.764086
  C     -12.959115      3.150395      4.725984
  C     -12.493094      3.728999      5.926180
  C     -11.135186      3.863927      6.157061
  C     -10.197548      3.422605      5.191490
  H      -2.655883      0.578156      2.549913
  H      -3.983062      1.754995      2.628976
  H      -4.397894      0.210854      4.941830
  H      -3.840741     -1.004452      3.784235
  H      -6.286821     -0.853735      3.711940
  H      -6.227445      0.911508      3.543078
  H      -6.270181      1.870599     -0.771574
  H      -5.195822     -2.368379     -2.192148
  H      -4.687585     -4.529726     -1.038464
  H      -4.698233     -4.647010      1.448771
  H      -5.190312     -2.634079      2.796872
  H      -4.279335      6.043481      5.895632
  H      -2.802572      6.549562      6.704249
  H      -2.236540      7.772498      4.429718
  H      -3.452179      8.478690      5.516666
  H      -4.160878      8.427809      3.068137
  H      -4.098863      6.669958      3.130866
  H      -7.336223      8.511445      6.923685
  H     -10.112854      6.319577      3.988268
  H      -9.808343      5.268547      1.741479
  H      -7.581533      5.317525      0.630486
  H      -5.655425      6.397144      1.731318
  H      -6.203130      2.487067      7.760260
  H      -6.290662      2.273340      6.005369
  H      -6.413261      4.949657      7.490787
  H      -6.318662      4.782141      5.731015
  H      -8.568300      3.591227      7.462241
  H      -8.640109      5.160855      6.680920
  H      -7.816849      2.255156      2.483334
  H     -12.403837      2.266088      2.827383
  H     -14.032824      3.051140      4.557444
  H     -13.209009      4.073992      6.674025
  H     -10.784667      4.318823      7.083914
  N      -4.963372      3.869039      3.824678
  H      -5.947636      3.587839      3.944517
  H      -4.891278      4.482388      3.010794
98
Coordinates from ORCA-job orca E -6204.344414360900
  N      -2.642011      1.878356      4.206539
  Mo     -3.476531      3.459245      5.066734
  N      -4.455606      3.059717      6.722579
  C      -3.694219      3.045453      7.969531
  C      -2.325621      2.421269      7.709293
  N      -1.712847      3.018958      6.495892
  C      -0.814120      2.069540      5.790753
  C      -1.639534      1.116220      4.943752
  C      -1.030782      4.312642      6.758643
  C      -1.131419      5.157921      5.485750
  N      -2.533569      5.229007      5.073386
  H      -0.970472      0.583146      4.242386
  H      -2.108233      0.335836      5.576997
  H      -0.168652      2.662554      5.128037
  H      -0.167053      1.533483      6.509092
  H      -0.715638      6.164173      5.664184
  H      -0.528558      4.706385      4.682412
  H      -1.570841      4.819886      7.570314
  H       0.009815      4.147347      7.092726
  H      -4.213712      2.444524      8.737638
  H      -3.579353      4.064467      8.391724
  H      -2.464253      1.349790      7.508326
  H      -1.653752      2.527093      8.579862
  C      -3.381145      1.068409      3.235652
  C      -4.297851     -0.002065      3.880646
  C      -5.726293     -0.013068      3.298622
  C      -5.774310     -0.117624      1.799681
  N      -6.049275      1.001870      1.124522
  C      -6.048142      0.930921     -0.231052
  N      -5.804978     -0.122072     -0.988226
  C      -5.541376     -1.288926     -0.320263
  C      -5.291241     -2.466505     -1.062953
  C      -5.039520     -3.660315     -0.411260
  C      -5.030100     -3.720909      1.000153
  C      -5.267086     -2.585089      1.750052
  C      -5.519877     -1.343602      1.110617
  C      -3.249677      6.346361      5.710164
  C      -3.265595      7.632913      4.873855
  C      -4.321195      7.574452      3.769451
  C      -5.736359      7.547605      4.300317
  N      -5.952809      8.068108      5.509528
  C      -7.208800      7.996475      6.009824
  N      -8.273653      7.443754      5.453505
  C      -8.085184      6.911131      4.206456
  C      -9.177962      6.296160      3.547160
  C      -9.012201      5.747159      2.289586
  C      -7.757865      5.798716      1.643992
  C      -6.673627      6.394375      2.264058
  C      -6.806198      6.954909      3.561150
  C      -5.912993      2.948817      6.818001
  C      -6.650960      4.287568      6.686889
  C      -8.166478      4.145189      6.590103
  C      -8.701379      3.551131      5.311542
  N      -7.853118      3.165888      4.360875
  C      -8.367709      2.657464      3.211047
  N      -9.641761      2.477446      2.911752
  C     -10.541553      2.863000      3.869548
  C     -11.926670      2.720312      3.611987
  C     -12.856879      3.118434      4.555194
  C     -12.438621      3.671997      5.783638
  C     -11.090613      3.821617      6.061183
  C     -10.115293      3.421872      5.114955
  H      -2.658356      0.577484      2.554159
  H      -3.989104      1.753990      2.631922
  H      -4.387205      0.216048      4.957162
  H      -3.845039     -1.000920      3.796089
  H      -6.295589     -0.841257      3.754817
  H      -6.227193      0.925617      3.575588
  H      -6.273784      1.868291     -0.749685
  H      -5.313020     -2.398436     -2.151868
  H      -4.852444     -4.565120     -0.988542
  H      -4.840110     -4.673158      1.499499
  H      -5.267757     -2.643232      2.839308
  H      -4.290295      6.049788      5.913458
  H      -2.803025      6.554970      6.700177
  H      -2.270326      7.793810      4.429151
  H      -3.480344      8.485575      5.533511
  H      -4.216612      8.439832      3.090577
  H      -4.142456      6.682992      3.149825
  H      -7.349365      8.445213      6.998967
  H     -10.138851      6.269195      4.062246
  H      -9.853472      5.260996      1.792558
  H      -7.644917      5.361213      0.649987
  H      -5.714944      6.443649      1.746663
  H      -6.177941      2.469828      7.778858
  H      -6.269536      2.279438      6.021121
  H      -6.406967      4.930102      7.548153
  H      -6.278619      4.797065      5.786996
  H      -8.554822      3.555244      7.439251
  H      -8.622770      5.143567      6.699732
  H      -7.629228      2.373905      2.450402
  H     -12.226409      2.293202      2.654474
  H     -13.923359      3.008041      4.349515
  H     -13.183688      3.986300      6.516170
  H     -10.777666      4.259417      7.008594
  N      -4.985423      3.854596      3.847257
  H      -5.963420      3.550411      3.967907
  H      -4.926111      4.461217      3.028964
98
Coordinates from ORCA-job orca E -6204.344892799004
  N      -2.644200      1.879800      4.210995
  Mo     -3.481331      3.458517      5.073056
  N      -4.473951      3.054219      6.720294
  C      -3.720397      3.033187      7.971765
  C      -2.352766      2.404373      7.719536
  N      -1.729309      3.005528      6.513691
  C      -0.828543      2.056913      5.810394
  C      -1.649503      1.110831      4.951381
  C      -1.045632      4.295951      6.788015
  C      -1.133472      5.148149      5.518959
  N      -2.531742      5.224958      5.095150
  H      -0.975595      0.580320      4.252040
  H      -2.125002      0.327465      5.576203
  H      -0.175943      2.651528      5.156432
  H      -0.189247      1.514420      6.530318
  H      -0.716692      6.152670      5.706152
  H      -0.524722      4.698957      4.718269
  H      -1.590261      4.800939      7.598536
  H      -0.007901      4.125704      7.128749
  H      -4.247334      2.432471      8.734688
  H      -3.604104      4.050514      8.397127
  H      -2.493318      1.333967      7.513397
  H      -1.687132      2.504695      8.595478
  C      -3.370802      1.079158      3.222508
  C      -4.301201      0.006099      3.843480
  C      -5.716670     -0.001436      3.230788
  C      -5.731646     -0.113333      1.731939
  N      -5.987734      1.003182      1.045409
  C      -5.959510      0.924024     -0.309308
  N      -5.705466     -0.134682     -1.055567
  C      -5.459701     -1.298497     -0.376071
  C      -5.199580     -2.481819     -1.106767
  C      -4.964071     -3.672252     -0.443265
  C      -4.982255     -3.723481      0.968360
  C      -5.229559     -2.581774      1.706787
  C      -5.467214     -1.343989      1.055171
  C      -3.252268      6.343453      5.724772
  C      -3.254061      7.631027      4.889658
  C      -4.284786      7.573499      3.761578
  C      -5.712763      7.547171      4.256650
  N      -5.962121      8.069295      5.458582
  C      -7.232461      8.002779      5.921770
  N      -8.283263      7.455838      5.333598
  C      -8.061024      6.925080      4.091506
  C      -9.137392      6.319816      3.397529
  C      -8.935768      5.767006      2.146883
  C      -7.660423      5.805288      1.543076
  C      -6.592948      6.395880      2.195409
  C      -6.762854      6.960203      3.486073
  C      -5.932851      2.948060      6.812913
  C      -6.667899      4.289857      6.689975
  C      -8.187316      4.157717      6.631231
  C      -8.766288      3.555112      5.375796
  N      -7.953535      3.158806      4.398938
  C      -8.510368      2.646356      3.270397
  N      -9.794525      2.464849      3.019094
  C     -10.658466      2.859463      4.005665
  C     -12.051876      2.715219      3.799989
  C     -12.946891      3.122897      4.772854
  C     -12.483809      3.687266      5.980282
  C     -11.126489      3.837706      6.207464
  C     -10.186685      3.427987      5.230266
  H      -2.638945      0.591810      2.548842
  H      -3.966927      1.770563      2.614260
  H      -4.413075      0.219899      4.918884
  H      -3.847860     -0.993302      3.764245
  H      -6.298159     -0.825429      3.676953
  H      -6.219977      0.939643      3.493222
  H      -6.171324      1.859030     -0.837606
  H      -5.199820     -2.420781     -2.196199
  H      -4.768424     -4.582129     -1.011566
  H      -4.804501     -4.672870      1.476904
  H      -5.250470     -2.632590      2.796146
  H      -4.295892      6.048698      5.914502
  H      -2.817663      6.550492      6.720807
  H      -2.250095      7.794163      4.466218
  H      -3.483729      8.482269      5.545992
  H      -4.164060      8.439150      3.085766
  H      -4.091997      6.682303      3.145167
  H      -7.399131      8.449150      6.908114
  H     -10.114401      6.301229      3.881894
  H      -9.764147      5.285844      1.624522
  H      -7.517753      5.360410      0.556959
  H      -5.617326      6.435267      1.710091
  H      -6.197114      2.467703      7.773260
  H      -6.293608      2.281476      6.015576
  H      -6.401702      4.934596      7.542647
  H      -6.311797      4.793495      5.780469
  H      -8.557605      3.579535      7.496938
  H      -8.632239      5.161901      6.742898
  H      -7.800413      2.351797      2.488174
  H     -12.386537      2.279905      2.857556
  H     -14.020169      3.011365      4.607124
  H     -13.201481      4.008961      6.736699
  H     -10.778770      4.283076      7.139365
  N      -4.977707      3.867278      3.841768
  H      -5.956933      3.562612      3.951991
  H      -4.909087      4.478340      3.026845
98
Coordinates from ORCA-job orca E -6204.344678860814
  N      -2.632319      1.877053      4.205365
  Mo     -3.462872      3.460895      5.060826
  N      -4.470161      3.061358      6.700787
  C      -3.727242      3.047403      7.956935
  C      -2.360505      2.409502      7.719023
  N      -1.723983      2.998216      6.513569
  C      -0.828221      2.040553      5.816135
  C      -1.650286      1.100702      4.953086
  C      -1.030039      4.283834      6.784658
  C      -1.104912      5.135348      5.514116
  N      -2.500061      5.218326      5.087613
  H      -0.977130      0.557483      4.260320
  H      -2.139757      0.325815      5.578762
  H      -0.166578      2.627972      5.166335
  H      -0.199544      1.492652      6.538842
  H      -0.685592      6.139440      5.704223
  H      -0.494227      4.683205      4.714491
  H      -1.572325      4.797061      7.593615
  H       0.005596      4.104874      7.128273
  H      -4.262188      2.454834      8.720184
  H      -3.609665      4.067146      8.375225
  H      -2.504967      1.337806      7.520082
  H      -1.700748      2.512514      8.599146
  C      -3.372890      1.074062      3.228923
  C      -4.292434     -0.000927      3.860875
  C      -5.717053     -0.009496      3.269479
  C      -5.753212     -0.110917      1.771540
  N      -6.050363      1.004498      1.101995
  C      -6.042783      0.936845     -0.253196
  N      -5.770566     -0.108139     -1.014063
  C      -5.479411     -1.270251     -0.351304
  C      -5.190655     -2.438617     -1.097789
  C      -4.901025     -3.624501     -0.449850
  C      -4.898789     -3.687089      0.960971
  C      -5.174199     -2.559649      1.714610
  C      -5.465342     -1.327221      1.078963
  C      -3.219767      6.340631      5.710118
  C      -3.238152      7.614045      4.853024
  C      -4.291671      7.537773      3.746188
  C      -5.708293      7.536141      4.272130
  N      -5.926128      8.106699      5.457281
  C      -7.187246      8.078765      5.946953
  N      -8.256794      7.525562      5.401088
  C      -8.066762      6.942301      4.178407
  C      -9.166123      6.329463      3.530152
  C      -8.998554      5.728125      2.297742
  C      -7.735331      5.724791      1.667299
  C      -6.646302      6.322588      2.274405
  C      -6.781194      6.936732      3.545250
  C      -5.929861      2.949195      6.778683
  C      -6.672504      4.285838      6.634098
  C      -8.192809      4.149620      6.568243
  C      -8.772384      3.529626      5.320313
  N      -7.961947      3.104179      4.353177
  C      -8.522683      2.587862      3.228055
  N      -9.807875      2.426470      2.970774
  C     -10.669827      2.852524      3.945714
  C     -12.063534      2.727328      3.734506
  C     -12.955634      3.164726      4.696691
  C     -12.489461      3.739101      5.899205
  C     -11.131638      3.869184      6.132573
  C     -10.194311      3.425985      5.167623
  H      -2.653949      0.584626      2.545841
  H      -3.979035      1.761501      2.628567
  H      -4.387328      0.209946      4.939184
  H      -3.839843     -1.000415      3.772349
  H      -6.286986     -0.836515      3.717471
  H      -6.218671      0.926462      3.544959
  H      -6.295301      1.870362     -0.769490
  H      -5.207265     -2.368565     -2.186001
  H      -4.679050     -4.524222     -1.030412
  H      -4.677465     -4.632862      1.456974
  H      -5.173740     -2.618113      2.803260
  H      -4.259799      6.042192      5.912951
  H      -2.776902      6.564768      6.700483
  H      -2.244315      7.765209      4.405693
  H      -3.451119      8.478867      5.497253
  H      -4.179645      8.388129      3.050100
  H      -4.117067      6.631873      3.144908
  H      -7.325610      8.559202      6.921681
  H     -10.132882      6.342685      4.035299
  H      -9.843464      5.239668      1.811801
  H      -7.618519      5.239334      0.697493
  H      -5.679744      6.325356      1.768878
  H      -6.201642      2.478242      7.741826
  H      -6.280453      2.272041      5.985451
  H      -6.414202      4.942688      7.480225
  H      -6.311892      4.781086      5.720679
  H      -8.568996      3.585750      7.442145
  H      -8.636848      5.156761      6.661622
  H      -7.814874      2.258889      2.459657
  H     -12.400991      2.284671      2.795415
  H     -14.029187      3.068934      4.526190
  H     -13.205084      4.084566      6.647131
  H     -10.780680      4.320043      7.061825
  N      -4.949001      3.883023      3.819480
  H      -5.934715      3.611503      3.944865
  H      -4.873973      4.494237      3.003258
98
Coordinates from ORCA-job orca E -6204.344981264897
  N      -2.638878      1.883254      4.209457
  Mo     -3.472076      3.464158      5.069758
  N      -4.468902      3.058418      6.714219
  C      -3.718954      3.041884      7.967229
  C      -2.351374      2.410121      7.720278
  N      -1.723672      3.006722      6.514268
  C      -0.825817      2.054909      5.811658
  C      -1.648516      1.111446      4.952092
  C      -1.035587      4.295013      6.787118
  C      -1.119936      5.147406      5.517968
  N      -2.517401      5.227179      5.094369
  H      -0.975676      0.575554      4.255011
  H      -2.128974      0.331764      5.578078
  H      -0.170720      2.647052      5.158481
  H      -0.189441      1.509966      6.531508
  H      -0.701796      6.151563      5.706395
  H      -0.511251      4.697381      4.717010
  H      -1.577869      4.802911      7.598068
  H       0.001862      4.121109      7.127198
  H      -4.248467      2.445029      8.731269
  H      -3.602109      4.060727      8.388519
  H      -2.492780      1.339086      7.517318
  H      -1.687932      2.512197      8.597705
  C      -3.372697      1.081041      3.227751
  C      -4.295439      0.006287      3.856633
  C      -5.718585      0.000889      3.261955
  C      -5.752476     -0.105592      1.763544
  N      -6.027293      1.011721      1.086237
  C      -6.016825      0.938199     -0.268899
  N      -5.762948     -0.115039     -1.023434
  C      -5.497134     -1.279456     -0.353052
  C      -5.233522     -2.456966     -1.092667
  C      -4.974911     -3.647042     -0.437886
  C      -4.975249     -3.704034      0.973483
  C      -5.225889     -2.567939      1.720491
  C      -5.486264     -1.330800      1.077820
  C      -3.236422      6.347948      5.721365
  C      -3.245434      7.629769      4.877108
  C      -4.283430      7.563086      3.756136
  C      -5.707650      7.543399      4.261153
  N      -5.946569      8.076515      5.460008
  C      -7.213846      8.019866      5.932301
  N      -8.270567      7.471842      5.356380
  C      -8.058628      6.927156      4.118899
  C      -9.141896      6.318417      3.439271
  C      -8.951228      5.753657      2.192550
  C      -7.680568      5.783753      1.578261
  C      -6.606635      6.377381      2.216590
  C      -6.765052      6.953404      3.503197
  C      -5.927483      2.944076      6.800125
  C      -6.670540      4.281670      6.676181
  C      -8.189308      4.141325      6.609277
  C      -8.760300      3.538322      5.349974
  N      -7.941904      3.143254      4.377063
  C      -8.492561      2.633983      3.244005
  N      -9.775037      2.454864      2.983678
  C     -10.644774      2.849109      3.965242
  C     -12.036658      2.705535      3.750659
  C     -12.937136      3.112299      4.718724
  C     -12.481264      3.674369      5.930276
  C     -11.125497      3.823115      6.166582
  C     -10.180018      3.413146      5.194957
  H      -2.647228      0.593732      2.548192
  H      -3.975512      1.770158      2.624339
  H      -4.393380      0.216340      4.934371
  H      -3.843542     -0.993185      3.768453
  H      -6.294014     -0.823670      3.712382
  H      -6.217714      0.940751      3.533713
  H      -6.246038      1.873702     -0.790295
  H      -5.247694     -2.391345     -2.181561
  H      -4.775011     -4.552891     -1.013035
  H      -4.779010     -4.653143      1.475083
  H      -5.230867     -2.622822      2.809662
  H      -4.278497      6.052550      5.918839
  H      -2.796364      6.562137      6.714027
  H      -2.244988      7.789647      4.445511
  H      -3.470630      8.485988      5.528578
  H      -4.166981      8.422447      3.071727
  H      -4.095352      6.666144      3.146299
  H      -7.371253      8.474060      6.916607
  H     -10.115099      6.306253      3.931664
  H      -9.784435      5.269524      1.681340
  H      -7.546516      5.328937      0.595565
  H      -5.634528      6.408802      1.723467
  H      -6.193690      2.460217      7.758270
  H      -6.280976      2.277009      5.999846
  H      -6.412373      4.926462      7.531386
  H      -6.312408      4.789559      5.769479
  H      -8.561863      3.560517      7.472698
  H      -8.639365      5.143435      6.719820
  H      -7.778469      2.338302      2.466696
  H     -12.365877      2.272410      2.804948
  H     -14.009219      3.001843      4.545854
  H     -13.203263      3.995640      6.682781
  H     -10.783107      4.265959      7.102056
  N      -4.966525      3.878066      3.836950
  H      -5.949291      3.591442      3.958480
  H      -4.896489      4.487409      3.020362
98
Coordinates from ORCA-job orca E -6204.344984943137
  N      -2.632663      1.879152      4.209557
  Mo     -3.469373      3.460854      5.065500
  N      -4.468233      3.054935      6.708491
  C      -3.720035      3.042977      7.962756
  C      -2.351092      2.412615      7.719894
  N      -1.722153      3.008045      6.513971
  C      -0.822184      2.056195      5.814298
  C      -1.642398      1.110186      4.955151
  C      -1.035896      4.297636      6.785122
  C      -1.120669      5.147835      5.514440
  N      -2.518175      5.225962      5.090490
  H      -0.967355      0.574618      4.260092
  H      -2.122545      0.330498      5.581435
  H      -0.166929      2.648169      5.160960
  H      -0.185961      1.513290      6.536022
  H      -0.703302      6.152485      5.701479
  H      -0.511421      4.697106      4.714491
  H      -1.579107      4.806036      7.594969
  H       0.001646      4.125732      7.125820
  H      -4.250221      2.448224      8.727869
  H      -3.604622      4.063290      8.380750
  H      -2.490287      1.340959      7.518912
  H      -1.689644      2.517766      8.598451
  C      -3.360149      1.075201      3.224508
  C      -4.283068     -0.002103      3.849298
  C      -5.705025     -0.007623      3.252132
  C      -5.735963     -0.117925      1.753889
  N      -6.004477      0.998414      1.072422
  C      -5.991751      0.920698     -0.282465
  N      -5.741517     -0.136021     -1.033262
  C      -5.482026     -1.299512     -0.358637
  C      -5.222971     -2.480557     -1.094093
  C      -4.970998     -3.669831     -0.435183
  C      -4.973057     -3.722350      0.976393
  C      -5.219259     -2.582759      1.719392
  C      -5.473365     -1.346372      1.072426
  C      -3.237459      6.345704      5.719241
  C      -3.254597      7.626602      4.873928
  C      -4.300148      7.556580      3.760425
  C      -5.720787      7.539581      4.275632
  N      -5.949875      8.069763      5.477665
  C      -7.214333      8.016316      5.958073
  N      -8.276758      7.473870      5.387554
  C      -8.074860      6.931931      4.147105
  C      -9.164935      6.329633      3.472417
  C      -8.985120      5.770542      2.221543
  C      -7.718961      5.800301      1.597962
  C      -6.638232      6.386180      2.232054
  C      -6.785594      6.956413      3.522565
  C      -5.926944      2.942444      6.792648
  C      -6.666638      4.282435      6.673074
  C      -8.185879      4.147392      6.605456
  C      -8.758042      3.547708      5.345145
  N      -7.939670      3.145339      4.375360
  C      -8.490179      2.635393      3.242476
  N      -9.773034      2.461950      2.980015
  C     -10.642878      2.864738      3.958034
  C     -12.035095      2.727993      3.740723
  C     -12.935703      3.142716      4.705358
  C     -12.479580      3.706152      5.916111
  C     -11.123491      3.848340      6.155104
  C     -10.177978      3.430299      5.186988
  H      -2.629820      0.590116      2.548368
  H      -3.961803      1.762830      2.618183
  H      -4.383246      0.205175      4.927159
  H      -3.830052     -1.000844      3.759558
  H      -6.282056     -0.830882      3.703299
  H      -6.203962      0.933211      3.521176
  H      -6.215627      1.855509     -0.807135
  H      -5.235568     -2.418263     -2.183226
  H      -4.775005     -4.578321     -1.007149
  H      -4.782042     -4.670760      1.481323
  H      -5.225742     -2.634305      2.808759
  H      -4.277628      6.048212      5.923392
  H      -2.792107      6.562411      6.708922
  H      -2.257115      7.789012      4.436069
  H      -3.478053      8.482446      5.526609
  H      -4.188142      8.413221      3.071738
  H      -4.117165      6.657136      3.152615
  H      -7.363717      8.468522      6.944541
  H     -10.134638      6.318622      3.971536
  H      -9.823685      5.292103      1.713577
  H      -7.594130      5.351925      0.611091
  H      -5.669633      6.417254      1.732095
  H      -6.194925      2.455174      7.748650
  H      -6.280706      2.279165      5.989304
  H      -6.406614      4.923746      7.530331
  H      -6.306729      4.792162      5.768051
  H      -8.560878      3.567073      7.468039
  H      -8.632684      5.150624      6.717171
  H      -7.775471      2.329184      2.469600
  H     -12.364455      2.293366      2.795797
  H     -14.008018      3.037291      4.530435
  H     -13.201596      4.033611      6.665902
  H     -10.780947      4.292206      7.090002
  N      -4.962204      3.870638      3.829600
  H      -5.942919      3.573067      3.944143
  H      -4.891375      4.477981      3.011542
98
Coordinates from ORCA-job orca E -6204.344999036732
  N      -2.631608      1.884214      4.211601
  Mo     -3.466580      3.465719      5.068884
  N      -4.464007      3.056820      6.711967
  C      -3.715452      3.046611      7.965855
  C      -2.346545      2.416067      7.722592
  N      -1.718259      3.011458      6.516260
  C      -0.819606      2.059632      5.814880
  C      -1.641243      1.114416      4.956353
  C      -1.031153      4.300547      6.787517
  C      -1.116900      5.151670      5.517530
  N      -2.514738      5.230279      5.094946
  H      -0.967413      0.577859      4.260749
  H      -2.121485      0.335473      5.583331
  H      -0.165055      2.651671      5.161043
  H      -0.182651      1.515930      6.535211
  H      -0.699231      6.156213      5.704934
  H      -0.508342      4.701367      4.716649
  H      -1.573100      4.808819      7.598428
  H       0.006775      4.127890      7.126810
  H      -4.245296      2.452803      8.732042
  H      -3.599659      4.067491      8.382428
  H      -2.485764      1.344324      7.522018
  H      -1.684754      2.521476      8.600875
  C      -3.361962      1.080200      3.228743
  C      -4.282556      0.002538      3.856355
  C      -5.708285      0.000413      3.267923
  C      -5.749065     -0.105975      1.769715
  N      -6.020750      1.012644      1.093095
  C      -6.017023      0.938557     -0.262010
  N      -5.772958     -0.116442     -1.017277
  C      -5.510438     -1.282077     -0.347574
  C      -5.257287     -2.461361     -1.087884
  C      -5.002199     -3.652673     -0.433818
  C      -4.995405     -3.708967      0.977548
  C      -5.235808     -2.571148      1.725234
  C      -5.492632     -1.332837      1.083281
  C      -3.233951      6.350283      5.723210
  C      -3.253134      7.629908      4.876093
  C      -4.295588      7.554921      3.760088
  C      -5.717968      7.532787      4.270291
  N      -5.953397      8.058267      5.473107
  C      -7.219906      8.000472      5.947754
  N      -8.278580      7.457540      5.370754
  C      -8.070050      6.919931      4.129529
  C      -9.155774      6.317372      3.448087
  C      -8.968967      5.762757      2.196221
  C      -7.699913      5.797054      1.578585
  C      -6.623289      6.382815      2.219634
  C      -6.778051      6.949131      3.510941
  C      -5.922132      2.939231      6.795134
  C      -6.666464      4.276860      6.678734
  C      -8.185050      4.136195      6.607888
  C      -8.752180      3.538262      5.344469
  N      -7.930074      3.142704      4.374931
  C      -8.476076      2.634303      3.239249
  N      -9.757689      2.457299      2.973165
  C     -10.631318      2.853613      3.950463
  C     -12.022463      2.713347      3.729051
  C     -12.926765      3.121678      4.692932
  C     -12.475554      3.682004      5.906989
  C     -11.120589      3.827521      6.150010
  C     -10.171326      3.416140      5.182688
  H      -2.633950      0.595151      2.550247
  H      -3.965784      1.767640      2.624387
  H      -4.375828      0.207089      4.935542
  H      -3.831383     -0.996644      3.761326
  H      -6.283634     -0.822899      3.720819
  H      -6.204027      0.941321      3.542400
  H      -6.243425      1.875106     -0.782727
  H      -5.276681     -2.396123     -2.176729
  H      -4.810470     -4.559878     -1.009505
  H      -4.801933     -4.658936      1.478635
  H      -5.235257     -2.625521      2.814459
  H      -4.273707      6.052372      5.929067
  H      -2.787468      6.568580      6.712035
  H      -2.255255      7.794073      4.440181
  H      -3.480144      8.486085      5.527011
  H      -4.184941      8.410689      3.070209
  H      -4.107404      6.655284      3.153953
  H      -7.374515      8.449084      6.935048
  H     -10.127859      6.302990      3.942630
  H      -9.804115      5.284397      1.682710
  H      -7.569711      5.352622      0.590618
  H      -5.652258      6.417125      1.724496
  H      -6.189271      2.447807      7.749253
  H      -6.272831      2.277479      5.989352
  H      -6.410158      4.916481      7.538377
  H      -6.306765      4.790694      5.775876
  H      -8.559588      3.551598      7.467867
  H      -8.635934      5.137451      6.721929
  H      -7.758476      2.333921      2.466851
  H     -12.348064      2.281242      2.781643
  H     -13.998233      3.013655      4.514790
  H     -13.200473      4.004511      6.656144
  H     -10.781808      4.269102      7.087392
  N      -4.961755      3.876660      3.836100
  H      -5.942661      3.581865      3.955262
  H      -4.893016      4.483675      3.017588
98
Coordinates from ORCA-job orca E -6204.345004381300
  N      -2.630273      1.884629      4.214733
  Mo     -3.463995      3.468660      5.068292
  N      -4.463113      3.060576      6.710454
  C      -3.716448      3.054954      7.965383
  C      -2.347615      2.422666      7.725931
  N      -1.717382      3.014289      6.518732
  C      -0.820037      2.059252      5.820098
  C      -1.642872      1.114031      4.962843
  C      -1.027841      4.302484      6.787875
  C      -1.111935      5.151249      5.516256
  N      -2.509727      5.231914      5.093944
  H      -0.969524      0.574224      4.269385
  H      -2.125821      0.337851      5.591031
  H      -0.163880      2.648723      5.165534
  H      -0.184556      1.515699      6.541894
  H      -0.691987      6.155259      5.701469
  H      -0.504576      4.697982      4.716216
  H      -1.568856      4.813348      7.597685
  H       0.009702      4.128507      7.127567
  H      -4.247850      2.464561      8.733211
  H      -3.600278      4.077422      8.378068
  H      -2.487478      1.350478      7.528306
  H      -1.686974      2.530040      8.604820
  C      -3.358974      1.080833      3.230519
  C      -4.284219      0.005889      3.856362
  C      -5.709470      0.009368      3.266650
  C      -5.749338     -0.099334      1.768582
  N      -6.013746      1.019713      1.089609
  C      -6.009285      0.943350     -0.265335
  N      -5.770786     -0.114297     -1.018518
  C      -5.515892     -1.280349     -0.346475
  C      -5.269151     -2.462354     -1.084459
  C      -5.022280     -3.654172     -0.428033
  C      -5.017285     -3.708182      0.983420
  C      -5.251556     -2.567674      1.728900
  C      -5.499843     -1.328829      1.084537
  C      -3.226547      6.354147      5.721270
  C      -3.247038      7.631491      4.870684
  C      -4.292292      7.553601      3.757832
  C      -5.713709      7.538236      4.270953
  N      -5.945718      8.068582      5.472266
  C      -7.211870      8.016604      5.948758
  N      -8.273041      7.474851      5.375203
  C      -8.067867      6.931855      4.135693
  C      -9.155879      6.328253      3.458788
  C      -8.971553      5.765364      2.210214
  C      -7.703050      5.792723      1.591189
  C      -6.624501      6.380303      2.227377
  C      -6.776554      6.954383      3.515559
  C      -5.920718      2.937889      6.790574
  C      -6.669726      4.273082      6.677820
  C      -8.187723      4.127055      6.604867
  C      -8.751401      3.532600      5.338297
  N      -7.927098      3.148957      4.365769
  C      -8.470100      2.644183      3.227060
  N      -9.750746      2.461645      2.959927
  C     -10.626586      2.845807      3.940071
  C     -12.016925      2.699859      3.717409
  C     -12.923523      3.096433      4.684062
  C     -12.475448      3.650368      5.902161
  C     -11.121309      3.801562      6.146321
  C     -10.169776      3.402653      5.176050
  H      -2.629284      0.593045      2.555767
  H      -3.958794      1.768592      2.622564
  H      -4.377591      0.209332      4.935761
  H      -3.836592     -0.994813      3.760504
  H      -6.288936     -0.810659      3.720441
  H      -6.201315      0.952994      3.539351
  H      -6.229699      1.880380     -0.787926
  H      -5.287025     -2.398840     -2.173449
  H      -4.835492     -4.563425     -1.001926
  H      -4.830281     -4.658563      1.486376
  H      -5.252505     -2.620279      2.818227
  H      -4.266014      6.058029      5.931541
  H      -2.776378      6.574671      6.707858
  H      -2.250084      7.793236      4.431716
  H      -3.471411      8.489714      5.519791
  H      -4.180943      8.404559      3.062205
  H      -4.108256      6.649708      3.156721
  H      -7.363834      8.469942      6.934314
  H     -10.127394      6.318987      3.954474
  H      -9.808210      5.285461      1.700525
  H      -7.574930      5.341806      0.605857
  H      -5.653634      6.408501      1.731542
  H      -6.188005      2.441376      7.742018
  H      -6.267297      2.278363      5.981365
  H      -6.416680      4.910685      7.539851
  H      -6.310669      4.791058      5.777164
  H      -8.560611      3.537018      7.461888
  H      -8.642631      5.126131      6.722984
  H      -7.750833      2.356450      2.451302
  H     -12.340106      2.272853      2.766910
  H     -13.994395      2.984164      4.504927
  H     -13.202172      3.963628      6.653534
  H     -10.785047      4.238542      7.086721
  N      -4.959147      3.879398      3.835468
  H      -5.940812      3.588517      3.958140
  H      -4.890619      4.483957      3.015296
98
Coordinates from ORCA-job orca E -6204.345012859890
  N      -2.625325      1.885975      4.216705
  Mo     -3.459876      3.470791      5.067738
  N      -4.460467      3.060723      6.708414
  C      -3.715650      3.059999      7.964342
  C      -2.346102      2.427774      7.728672
  N      -1.714457      3.017511      6.521278
  C      -0.817015      2.061498      5.824202
  C      -1.639405      1.115800      4.967146
  C      -1.024602      4.305732      6.789317
  C      -1.108482      5.153634      5.517040
  N      -2.506231      5.234319      5.094910
  H      -0.965538      0.574492      4.275319
  H      -2.123825      0.340902      5.595894
  H      -0.160221      2.650208      5.169586
  H      -0.182213      1.518265      6.546797
  H      -0.688340      6.157734      5.701510
  H      -0.501235      4.699663      4.717269
  H      -1.565310      4.817443      7.598857
  H       0.012979      4.131756      7.128938
  H      -4.248015      2.472458      8.733604
  H      -3.600028      4.083997      8.373214
  H      -2.484933      1.355042      7.533273
  H      -1.687005      2.537605      8.608403
  C      -3.351496      1.081479      3.231189
  C      -4.277306      0.005817      3.855178
  C      -5.703990      0.013899      3.269059
  C      -5.747656     -0.095574      1.771249
  N      -6.009021      1.024023      1.092069
  C      -6.008507      0.946410     -0.262773
  N      -5.776551     -0.112950     -1.015758
  C      -5.524611     -1.279465     -0.343467
  C      -5.284756     -2.463146     -1.081115
  C      -5.040522     -3.655293     -0.424354
  C      -5.031575     -3.707955      0.987113
  C      -5.259140     -2.565777      1.732281
  C      -5.504831     -1.326624      1.087548
  C      -3.223207      6.356420      5.722434
  C      -3.249709      7.632123      4.869437
  C      -4.296531      7.548514      3.758689
  C      -5.717118      7.530308      4.273744
  N      -5.947898      8.054080      5.478033
  C      -7.213582      7.999201      5.955582
  N      -8.275132      7.460165      5.380362
  C      -8.071098      6.923470      4.137935
  C      -9.159646      6.323074      3.459066
  C      -8.976601      5.767518      2.207068
  C      -7.708849      5.798957      1.586717
  C      -6.629850      6.383483      2.224839
  C      -6.780640      6.950037      3.516421
  C      -5.917743      2.934718      6.785704
  C      -6.668958      4.269248      6.679023
  C      -8.186819      4.121899      6.604479
  C      -8.749275      3.530839      5.335722
  N      -7.923915      3.148539      4.363550
  C      -8.465556      2.646045      3.223151
  N      -9.745904      2.464354      2.954073
  C     -10.622861      2.847762      3.933472
  C     -12.012925      2.702758      3.708665
  C     -12.920666      3.098146      4.674760
  C     -12.474000      3.649554      5.894546
  C     -11.120124      3.799589      6.140920
  C     -10.167468      3.401987      5.171234
  H      -2.619904      0.593988      2.558346
  H      -3.950349      1.768452      2.621496
  H      -4.367618      0.204983      4.935558
  H      -3.831827     -0.995329      3.754289
  H      -6.284821     -0.804067      3.724528
  H      -6.192110      0.959063      3.542838
  H      -6.226364      1.883875     -0.785561
  H      -5.305484     -2.400569     -2.170096
  H      -4.858935     -4.565896     -0.997991
  H      -4.846666     -4.658519      1.490340
  H      -5.256774     -2.617314      2.821653
  H      -4.261269      6.058748      5.937660
  H      -2.769494      6.579906      6.706735
  H      -2.254055      7.796548      4.428531
  H      -3.475860      8.490568      5.517691
  H      -4.188883      8.397474      3.060001
  H      -4.111180      6.643267      3.159890
  H      -7.364452      8.446893      6.943889
  H     -10.130485      6.310343      3.956020
  H      -9.813484      5.289795      1.695772
  H      -7.581748      5.353631      0.598803
  H      -5.659523      6.414657      1.728234
  H      -6.185586      2.432025      7.733841
  H      -6.261655      2.279248      5.972052
  H      -6.417243      4.903233      7.544123
  H      -6.309779      4.791929      5.781040
  H      -8.559836      3.528858      7.459409
  H      -8.642703      5.120129      6.725587
  H      -7.745223      2.357668      2.448756
  H     -12.335022      2.277552      2.756938
  H     -13.991338      2.986732      4.493896
  H     -13.201571      3.961668      6.645554
  H     -10.784958      4.234319      7.082803
  N      -4.955341      3.880751      3.835022
  H      -5.937126      3.591727      3.960845
  H      -4.887467      4.482470      3.012700
98
Coordinates from ORCA-job orca E -6204.345018906439
  N      -2.616017      1.887319      4.221012
  Mo     -3.453145      3.473485      5.066384
  N      -4.457692      3.061689      6.704140
  C      -3.717052      3.068636      7.962365
  C      -2.346427      2.435928      7.734091
  N      -1.711275      3.022232      6.526820
  C      -0.812885      2.064117      5.833979
  C      -1.633995      1.117472      4.976976
  C      -1.020931      4.310424      6.793610
  C      -1.102637      5.156091      5.519613
  N      -2.499858      5.237091      5.096015
  H      -0.959020      0.572905      4.288813
  H      -2.122020      0.345482      5.606496
  H      -0.154206      2.651030      5.179661
  H      -0.180130      1.521781      6.559006
  H      -0.681813      6.160236      5.702401
  H      -0.494981      4.699995      4.721310
  H      -1.562301      4.824060      7.601545
  H       0.016087      4.136325      7.134886
  H      -4.252001      2.485888      8.733477
  H      -3.602363      4.095062      8.365284
  H      -2.484054      1.362400      7.542280
  H      -1.690420      2.549448      8.615644
  C      -3.337188      1.081937      3.232650
  C      -4.267407      0.007875      3.853019
  C      -5.695387      0.026387      3.270244
  C      -5.743073     -0.083846      1.772712
  N      -5.995101      1.037601      1.092929
  C      -5.998263      0.958606     -0.261776
  N      -5.778295     -0.103736     -1.014245
  C      -5.535962     -1.271927     -0.341373
  C      -5.308940     -2.458539     -1.078347
  C      -5.074236     -3.652239     -0.420910
  C      -5.062436     -3.703518      0.990554
  C      -5.277567     -2.558482      1.735094
  C      -5.513356     -1.317768      1.089676
  C      -3.217320      6.359500      5.722620
  C      -3.251374      7.631946      4.865033
  C      -4.300712      7.539491      3.757725
  C      -5.720205      7.520070      4.275583
  N      -5.949600      8.040976      5.481275
  C      -7.215165      7.986221      5.959464
  N      -8.277599      7.449866      5.383536
  C      -8.074845      6.915643      4.139783
  C      -9.164622      6.318914      3.459705
  C      -8.982823      5.766589      2.206102
  C      -7.715100      5.797183      1.585633
  C      -6.635000      6.378427      2.224849
  C      -6.784759      6.942258      3.517683
  C      -5.914505      2.931580      6.776215
  C      -6.668438      4.265364      6.678840
  C      -8.186043      4.115980      6.602868
  C      -8.746834      3.527114      5.332410
  N      -7.920012      3.146639      4.360765
  C      -8.459757      2.644238      3.219488
  N      -9.739564      2.460480      2.949276
  C     -10.618069      2.842705      3.927705
  C     -12.007680      2.696225      3.701251
  C     -12.916978      3.089998      4.666574
  C     -12.472327      3.640807      5.887346
  C     -11.118886      3.792180      6.135403
  C     -10.164679      3.396637      5.166390
  H      -2.601923      0.592669      2.565193
  H      -3.931776      1.768147      2.617921
  H      -4.354086      0.201292      4.934738
  H      -3.827540     -0.995074      3.745536
  H      -6.280970     -0.787090      3.727522
  H      -6.175863      0.975121      3.544907
  H      -6.208388      1.897561     -0.785075
  H      -5.331560     -2.396895     -2.167333
  H      -4.902412     -4.565113     -0.994028
  H      -4.885096     -4.655208      1.494325
  H      -5.272864     -2.608937      2.824501
  H      -4.253576      6.060066      5.944217
  H      -2.759282      6.587804      6.703746
  H      -2.257550      7.798324      4.420839
  H      -3.478812      8.491788      5.511008
  H      -4.197207      8.383806      3.052813
  H      -4.114713      6.630769      3.164221
  H      -7.364829      8.431441      6.949058
  H     -10.135353      6.306448      3.956957
  H      -9.820500      5.291468      1.693759
  H      -7.588942      5.353838      0.596698
  H      -5.664590      6.408978      1.728344
  H      -6.183891      2.419297      7.718885
  H      -6.254256      2.282815      5.955491
  H      -6.418171      4.894152      7.548185
  H      -6.309497      4.794742      5.784574
  H      -8.558596      3.519907      7.455890
  H      -8.643400      5.113191      6.726542
  H      -7.738061      2.355145      2.446746
  H     -12.328223      2.271237      2.748886
  H     -13.987302      2.977641      4.484343
  H     -13.201063      3.951251      6.637902
  H     -10.785338      4.226109      7.078254
  N      -4.948290      3.880670      3.832518
  H      -5.929070      3.587627      3.958167
  H      -4.881236      4.476300      3.005656
98
Coordinates from ORCA-job orca E -6204.345023575894
  N      -2.606488      1.888156      4.224356
  Mo     -3.447935      3.474152      5.065835
  N      -4.455221      3.060256      6.701198
  C      -3.717941      3.072536      7.961316
  C      -2.345655      2.441565      7.738280
  N      -1.708508      3.026559      6.531352
  C      -0.807720      2.068151      5.842009
  C      -1.626147      1.119925      4.984241
  C      -1.019670      4.315679      6.797668
  C      -1.100244      5.159452      5.522364
  N      -2.496996      5.239302      5.097043
  H      -0.949163      0.574850      4.298569
  H      -2.115593      0.348613      5.613566
  H      -0.147925      2.654727      5.188474
  H      -0.176288      1.527249      6.569287
  H      -0.679776      6.164016      5.703675
  H      -0.491708      4.702085      4.725510
  H      -1.562772      4.829863      7.604042
  H       0.016918      4.142923      7.140799
  H      -4.254194      2.491668      8.732899
  H      -3.605651      4.100438      8.361071
  H      -2.480974      1.367365      7.548602
  H      -1.692111      2.558273      8.621203
  C      -3.321508      1.081428      3.232703
  C      -4.254999      0.007641      3.849093
  C      -5.684428      0.035631      3.270355
  C      -5.736620     -0.076141      1.773166
  N      -5.980437      1.046265      1.092117
  C      -5.988196      0.965028     -0.262438
  N      -5.780278     -0.100559     -1.013734
  C      -5.546536     -1.269737     -0.339533
  C      -5.332878     -2.459694     -1.075137
  C      -5.107092     -3.654337     -0.416360
  C      -5.090968     -3.703244      0.995175
  C      -5.293106     -2.554952      1.738362
  C      -5.519854     -1.313222      1.091528
  C      -3.215886      6.361114      5.723407
  C      -3.253878      7.632667      4.864540
  C      -4.303894      7.536705      3.758356
  C      -5.723073      7.516986      4.277089
  N      -5.951947      8.035984      5.483670
  C      -7.217342      7.980371      5.962280
  N      -8.280055      7.445117      5.385911
  C      -8.077838      6.913008      4.141118
  C      -9.167900      6.317499      3.460442
  C      -8.986621      5.767191      2.205860
  C      -7.719209      5.798761      1.585009
  C      -6.638837      6.378947      2.224775
  C      -6.788042      6.940567      3.518614
  C      -5.911687      2.926756      6.769254
  C      -6.667531      4.259755      6.677163
  C      -8.185053      4.109574      6.599765
  C      -8.745243      3.523190      5.327823
  N      -7.918144      3.145945      4.355121
  C      -8.457503      2.645753      3.212669
  N      -9.737128      2.461237      2.942136
  C     -10.615906      2.840346      3.921502
  C     -12.005388      2.692939      3.694812
  C     -12.915089      3.083748      4.661021
  C     -12.470869      3.632327      5.882923
  C     -11.117517      3.784543      6.131230
  C     -10.162969      3.392040      5.161385
  H      -2.581702      0.591887      2.570512
  H      -3.912452      1.766522      2.613272
  H      -4.338009      0.194822      4.932076
  H      -3.819953     -0.996565      3.734457
  H      -6.274095     -0.773611      3.729876
  H      -6.157776      0.987724      3.545747
  H      -6.191186      1.904952     -0.786769
  H      -5.358495     -2.399754     -2.164159
  H      -4.945661     -4.569752     -0.988420
  H      -4.920688     -4.655607      1.500119
  H      -5.285069     -2.603678      2.827851
  H      -4.251145      6.060093      5.947656
  H      -2.756227      6.591571      6.703243
  H      -2.260721      7.801337      4.419587
  H      -3.482940      8.492272      5.510280
  H      -4.201734      8.379051      3.050886
  H      -4.117880      6.626409      3.167176
  H      -7.366594      8.423885      6.952733
  H     -10.138398      6.304249      3.958077
  H      -9.824560      5.292989      1.693012
  H      -7.593418      5.356789      0.595465
  H      -5.668628      6.410283      1.728047
  H      -6.182308      2.408146      7.708170
  H      -6.247971      2.282369      5.943767
  H      -6.418520      4.885297      7.549138
  H      -6.308359      4.793182      5.785368
  H      -8.557622      3.511475      7.451386
  H      -8.642923      5.106291      6.725402
  H      -7.735651      2.359462      2.439166
  H     -12.325546      2.269725      2.741527
  H     -13.985338      2.970812      4.478594
  H     -13.199890      3.940372      6.634204
  H     -10.784426      4.216660      7.075084
  N      -4.943243      3.878336      3.831298
  H      -5.924073      3.586426      3.959289
  H      -4.877060      4.470360      3.001818
98
Coordinates from ORCA-job orca E -6204.345039390839
  N      -2.575370      1.891142      4.236669
  Mo     -3.431483      3.475730      5.066167
  N      -4.448193      3.057156      6.694138
  C      -3.721838      3.083026      7.960287
  C      -2.344434      2.458034      7.752783
  N      -1.700715      3.040046      6.547707
  C      -0.791315      2.081575      5.869707
  C      -1.600084      1.128228      5.008594
  C      -1.017761      4.332485      6.813587
  C      -1.093224      5.170282      5.534105
  N      -2.487829      5.245700      5.101102
  H      -0.916136      0.582462      4.330659
  H      -2.093521      0.358231      5.636569
  H      -0.127734      2.667609      5.219468
  H      -0.164533      1.545268      6.604402
  H      -0.674802      6.176402      5.711525
  H      -0.480362      4.709347      4.742700
  H      -1.567887      4.848025      7.614256
  H       0.017027      4.164462      7.164194
  H      -4.262192      2.505666      8.731588
  H      -3.617730      4.114438      8.353038
  H      -2.472537      1.382023      7.568423
  H      -1.698661      2.583518      8.640117
  C      -3.272157      1.080051      3.235713
  C      -4.216931      0.008604      3.840203
  C      -5.651788      0.070790      3.277707
  C      -5.722314     -0.041305      1.781490
  N      -5.941473      1.085779      1.100142
  C      -5.966992      1.001736     -0.254057
  N      -5.799276     -0.071209     -1.004892
  C      -5.591514     -1.245047     -0.330293
  C      -5.422063     -2.442577     -1.065230
  C      -5.223149     -3.641654     -0.406056
  C      -5.190315     -3.687558      1.005372
  C      -5.349443     -2.532011      1.747782
  C      -5.548601     -1.285673      1.100452
  C      -3.212536      6.366042      5.723995
  C      -3.258062      7.634487      4.860800
  C      -4.307108      7.528692      3.754980
  C      -5.726464      7.507647      4.273215
  N      -5.956827      8.025860      5.479824
  C      -7.222331      7.967539      5.957840
  N      -8.283980      7.431191      5.380631
  C      -8.080307      6.900415      4.135387
  C      -9.169169      6.304257      3.453483
  C      -8.986375      5.754663      2.198740
  C      -7.718617      5.787708      1.579117
  C      -6.639376      6.368894      2.219986
  C      -6.790164      6.929850      3.513889
  C      -5.903816      2.914346      6.750139
  C      -6.665837      4.244436      6.670681
  C      -8.182854      4.090279      6.589251
  C      -8.739599      3.506325      5.314646
  N      -7.910294      3.136711      4.340807
  C      -8.446908      2.638137      3.196358
  N      -9.725461      2.447641      2.924859
  C     -10.606415      2.818810      3.905316
  C     -11.995020      2.664449      3.677892
  C     -12.907185      3.047778      4.644912
  C     -12.466077      3.595433      5.868292
  C     -11.113518      3.754217      6.117389
  C     -10.156636      3.369392      5.146915
  H      -2.519344      0.588657      2.589872
  H      -3.851301      1.761959      2.601760
  H      -4.285857      0.174919      4.927339
  H      -3.799944     -1.000008      3.700899
  H      -6.254654     -0.724879      3.743702
  H      -6.099604      1.033480      3.558829
  H      -6.148201      1.945918     -0.778580
  H      -5.459560     -2.384556     -2.154024
  H      -5.095953     -4.562773     -0.977559
  H      -5.041385     -4.643148      1.510963
  H      -5.328581     -2.578726      2.837222
  H      -4.245869      6.060783      5.951524
  H      -2.752253      6.602784      6.701971
  H      -2.265549      7.808583      4.416279
  H      -3.492921      8.494082      5.504530
  H      -4.207158      8.366163      3.041448
  H      -4.119273      6.614468      3.170250
  H      -7.372826      8.409935      6.948670
  H     -10.139968      6.289703      3.950438
  H      -9.823619      5.280149      1.684918
  H      -7.591362      5.345558      0.589944
  H      -5.668875      6.401640      1.724138
  H      -6.178065      2.379562      7.679028
  H      -6.229924      2.280887      5.912404
  H      -6.421141      4.862489      7.549101
  H      -6.306548      4.788183      5.785086
  H      -8.555256      3.488682      7.438506
  H      -8.643260      5.085572      6.716925
  H      -7.723664      2.359514      2.421676
  H     -12.312618      2.242212      2.723310
  H     -13.976816      2.929737      4.461938
  H     -13.196965      3.897537      6.620190
  H     -10.783204      4.185434      7.062635
  N      -4.926006      3.870240      3.827805
  H      -5.906368      3.577926      3.958449
  H      -4.861310      4.451114      2.990415
98
Coordinates from ORCA-job orca E -6204.345038034819
  N      -2.520893      1.894706      4.258646
  Mo     -3.404059      3.475678      5.066847
  N      -4.436938      3.050389      6.682273
  C      -3.730052      3.098263      7.958646
  C      -2.343929      2.484667      7.777555
  N      -1.689067      3.062233      6.575939
  C      -0.763577      2.104422      5.918674
  C      -1.554371      1.141617      5.051558
  C      -1.017528      4.361005      6.841307
  C      -1.083248      5.187652      5.554213
  N      -2.473649      5.254464      5.106565
  H      -0.858032      0.595465      4.387145
  H      -2.054365      0.373369      5.676739
  H      -0.093399      2.689892      5.274639
  H      -0.145327      1.576850      6.666835
  H      -0.668690      6.196649      5.724204
  H      -0.462272      4.720121      4.773179
  H      -1.581241      4.878651      7.630979
  H       0.013561      4.202070      7.206305
  H      -4.277420      2.525395      8.728280
  H      -3.640930      4.134984      8.340826
  H      -2.459390      1.405750      7.601988
  H      -1.711579      2.624972      8.672132
  C      -3.185326      1.075905      3.242093
  C      -4.151625      0.010236      3.824825
  C      -5.593873      0.133686      3.291572
  C      -5.697208      0.023317      1.797471
  N      -5.873825      1.157291      1.115868
  C      -5.931284      1.070625     -0.237277
  N      -5.834377     -0.011691     -0.986993
  C      -5.671658     -1.192351     -0.311948
  C      -5.580145     -2.399374     -1.045401
  C      -5.427976     -3.604809     -0.385785
  C      -5.365009     -3.647868      1.024872
  C      -5.448304     -2.483330      1.765575
  C      -5.599384     -1.230312      1.117663
  C      -3.209252      6.372195      5.722405
  C      -3.263476      7.636126      4.852909
  C      -4.309283      7.516985      3.745862
  C      -5.729491      7.494542      4.261899
  N      -5.963061      8.014883      5.467030
  C      -7.228521      7.951690      5.944346
  N      -8.287777      7.410460      5.367386
  C      -8.081133      6.878922      4.122745
  C      -9.167286      6.278323      3.440696
  C      -8.981491      5.726377      2.187276
  C      -7.713394      5.761839      1.569332
  C      -6.636579      6.347776      2.210267
  C      -6.790369      6.911119      3.502765
  C      -5.891003      2.893397      6.717725
  C      -6.662706      4.218357      6.656427
  C      -8.178875      4.057979      6.569137
  C      -8.729820      3.473709      5.292147
  N      -7.896718      3.114331      4.317571
  C      -8.428564      2.614989      3.171346
  N      -9.705160      2.413381      2.898556
  C     -10.589878      2.773452      3.879866
  C     -11.976851      2.605912      3.651747
  C     -12.893255      2.979185      4.618927
  C     -12.457611      3.529562      5.842932
  C     -11.106542      3.700911      6.092805
  C     -10.145625      3.326215      5.122616
  H      -2.410387      0.580266      2.626619
  H      -3.741594      1.752386      2.582272
  H      -4.197222      0.139004      4.917869
  H      -3.768154     -1.004566      3.642475
  H      -6.218972     -0.637783      3.768794
  H      -5.995842      1.113465      3.582925
  H      -6.074612      2.021082     -0.761995
  H      -5.639115     -2.342992     -2.133355
  H      -5.361133     -4.532952     -0.956060
  H      -5.253187     -4.608009      1.531447
  H      -5.404439     -2.528466      2.854459
  H      -4.240255      6.060319      5.951594
  H      -2.751171      6.618275      6.699004
  H      -2.271026      7.817990      4.410962
  H      -3.507563      8.495570      5.493501
  H      -4.210892      8.347693      3.024328
  H      -4.118697      6.597176      3.170553
  H      -7.381653      8.394766      6.934586
  H     -10.138505      6.261867      3.936660
  H      -9.817284      5.249205      1.673282
  H      -7.583178      5.316613      0.582078
  H      -5.665893      6.383092      1.715321
  H      -6.171453      2.333547      7.630077
  H      -6.200163      2.277598      5.860994
  H      -6.424743      4.825947      7.543785
  H      -6.303501      4.776935      5.779932
  H      -8.551191      3.453872      7.416675
  H      -8.642869      5.051690      6.696395
  H      -7.703047      2.348380      2.395069
  H     -12.289928      2.182180      2.696331
  H     -13.961737      2.851426      4.435496
  H     -13.191745      3.823824      6.594818
  H     -10.781146      4.134032      7.038883
  N      -4.897624      3.851592      3.822202
  H      -5.877033      3.558275      3.957113
  H      -4.836406      4.413258      2.971642
98
Coordinates from ORCA-job orca E -6204.344979864541
  N      -2.550573      1.888548      4.242685
  Mo     -3.433506      3.461753      5.067241
  N      -4.457588      3.046392      6.691854
  C      -3.739330      3.065231      7.963166
  C      -2.356415      2.452239      7.759269
  N      -1.710852      3.042044      6.558417
  C      -0.783688      2.091363      5.892343
  C      -1.575595      1.131970      5.022302
  C      -1.042267      4.341142      6.831596
  C      -1.108590      5.172806      5.548250
  N      -2.498724      5.239338      5.098945
  H      -0.882709      0.594282      4.347495
  H      -2.068319      0.356428      5.643910
  H      -0.117263      2.682369      5.249651
  H      -0.161992      1.562241      6.636401
  H      -0.695062      6.181650      5.720849
  H      -0.487347      4.708208      4.765623
  H      -1.609512      4.853432      7.622244
  H      -0.012108      4.182166      7.198973
  H      -4.280325      2.474652      8.724126
  H      -3.648679      4.092958      8.369196
  H      -2.477330      1.376237      7.569825
  H      -1.713730      2.577969      8.648636
  C      -3.228001      1.072835      3.231353
  C      -4.191763      0.009983      3.822525
  C      -5.625645      0.100683      3.260078
  C      -5.697795     -0.011716      1.763988
  N      -5.898045      1.117209      1.080462
  C      -5.924891      1.031472     -0.273867
  N      -5.776397     -0.045382     -1.022518
  C      -5.589596     -1.221446     -0.345734
  C      -5.442954     -2.423362     -1.078681
  C      -5.266377     -3.624591     -0.417574
  C      -5.233435     -3.668746      0.994112
  C      -5.370606     -2.509304      1.734267
  C      -5.546581     -1.260480      1.084901
  C      -3.234401      6.356431      5.715023
  C      -3.249565      7.633708      4.863496
  C      -4.283959      7.555572      3.740648
  C      -5.708510      7.538716      4.244500
  N      -5.948212      8.078204      5.440708
  C      -7.213327      8.013539      5.917236
  N      -8.268064      7.455198      5.347418
  C      -8.055993      6.907195      4.110888
  C      -9.136503      6.287307      3.437687
  C      -8.945158      5.715655      2.193768
  C      -7.677149      5.751395      1.575755
  C      -6.604906      6.354515      2.208832
  C      -6.763628      6.937261      3.492485
  C      -5.914973      2.910677      6.745729
  C      -6.671372      4.242305      6.653284
  C      -8.189774      4.096357      6.580042
  C      -8.758300      3.489762      5.321259
  N      -7.939935      3.105110      4.343740
  C      -8.491188      2.591773      3.213148
  N      -9.772800      2.400453      2.957338
  C     -10.642345      2.783405      3.943744
  C     -12.033577      2.624528      3.735561
  C     -12.934496      3.022752      4.707071
  C     -12.478886      3.591949      5.915121
  C     -11.123433      3.755359      6.145219
  C     -10.177668      3.353253      5.170905
  H      -2.461488      0.575900      2.606523
  H      -3.789330      1.752432      2.578665
  H      -4.258980      0.167496      4.911008
  H      -3.792187     -1.004270      3.673782
  H      -6.242679     -0.684564      3.725701
  H      -6.055383      1.071782      3.540749
  H      -6.087940      1.978016     -0.800384
  H      -5.479986     -2.366758     -2.167580
  H      -5.156949     -4.548670     -0.987590
  H      -5.102119     -4.625902      1.501956
  H      -5.350360     -2.555588      2.823756
  H      -4.274396      6.052583      5.910275
  H      -2.800604      6.581769      6.707720
  H      -2.248083      7.799775      4.436079
  H      -3.482683      8.490225      5.511953
  H      -4.166474      8.406569      3.046457
  H      -4.096915      6.650260      3.142543
  H      -7.371608      8.470976      6.900068
  H     -10.108445      6.272098      3.932252
  H      -9.778183      5.226513      1.686407
  H      -7.541787      5.291259      0.595672
  H      -5.635049      6.391932      1.711991
  H      -6.192732      2.383636      7.677784
  H      -6.242070      2.273122      5.912087
  H      -6.421392      4.870572      7.522881
  H      -6.313504      4.773740      5.759915
  H      -8.561905      3.516514      7.444236
  H      -8.640686      5.098680      6.685556
  H      -7.778999      2.312950      2.428410
  H     -12.362030      2.187133      2.791622
  H     -14.006275      2.901457      4.539374
  H     -13.201227      3.907372      6.669881
  H     -10.782578      4.204287      7.078274
  N      -4.931369      3.839669      3.829599
  H      -5.910984      3.545412      3.958111
  H      -4.874379      4.416433      2.988817
98
Coordinates from ORCA-job orca E -6204.344971912731
  N      -2.608393      1.888412      4.232957
  Mo     -3.447414      3.478609      5.069418
  N      -4.454549      3.065585      6.705108
  C      -3.718599      3.089104      7.965567
  C      -2.347514      2.453658      7.748547
  N      -1.708287      3.030703      6.539004
  C      -0.811213      2.066721      5.852995
  C      -1.632212      1.119240      4.997143
  C      -1.014878      4.318435      6.799633
  C      -1.095079      5.158090      5.521616
  N      -2.492480      5.241760      5.099611
  H      -0.955920      0.569182      4.314543
  H      -2.125622      0.352057      5.628399
  H      -0.148842      2.648900      5.198168
  H      -0.182250      1.525314      6.581953
  H      -0.670478      6.161762      5.698295
  H      -0.490115      4.695465      4.724923
  H      -1.554578      4.837051      7.605594
  H       0.022001      4.143479      7.141094
  H      -4.256962      2.517163      8.742330
  H      -3.603724      4.120609      8.355014
  H      -2.484224      1.378473      7.565463
  H      -1.694891      2.575060      8.631555
  C      -3.310791      1.082921      3.230373
  C      -4.244636     -0.000707      3.828940
  C      -5.675434      0.037714      3.254399
  C      -5.729778     -0.079491      1.757570
  N      -5.963354      1.042042      1.071499
  C      -5.970500      0.955131     -0.282697
  N      -5.772036     -0.115637     -1.029428
  C      -5.547819     -1.283658     -0.350192
  C      -5.343215     -2.478280     -1.080925
  C      -5.125643     -3.671711     -0.417330
  C      -5.109306     -3.714605      0.994366
  C      -5.302945     -2.561732      1.732814
  C      -5.521176     -1.321072      1.081030
  C      -3.206759      6.367193      5.724613
  C      -3.257586      7.630563      4.854943
  C      -4.313269      7.517456      3.756265
  C      -5.730403      7.501435      4.280648
  N      -5.955053      8.020330      5.487938
  C      -7.220756      7.972993      5.967101
  N      -8.287694      7.447509      5.389802
  C      -8.089680      6.915629      4.144193
  C      -9.185418      6.334304      3.460452
  C      -9.008483      5.785309      2.204750
  C      -7.739197      5.801880      1.586888
  C      -6.653779      6.369942      2.228759
  C      -6.799559      6.932621      3.522368
  C      -5.910126      2.928288      6.771826
  C      -6.668941      4.261245      6.700738
  C      -8.185848      4.109407      6.617305
  C      -8.739335      3.536707      5.336369
  N      -7.906626      3.176997      4.361754
  C      -8.438658      2.688530      3.210929
  N      -9.716002      2.496012      2.935006
  C     -10.600429      2.856424      3.916427
  C     -11.987977      2.700967      3.683871
  C     -12.903554      3.073378      4.651876
  C     -12.467225      3.610907      5.881510
  C     -11.115824      3.770557      6.135785
  C     -10.155458      3.397235      5.164059
  H      -2.559674      0.599652      2.576457
  H      -3.897493      1.766261      2.604570
  H      -4.322709      0.162871      4.916267
  H      -3.811575     -1.002935      3.690432
  H      -6.269674     -0.766266      3.717027
  H      -6.141837      0.993517      3.527533
  H      -6.165175      1.894406     -0.811072
  H      -5.368641     -2.422604     -2.170146
  H      -4.971293     -4.590846     -0.985647
  H      -4.945599     -4.665910      1.503233
  H      -5.295024     -2.606071      2.822356
  H      -4.238712      6.066325      5.963968
  H      -2.736055      6.607274      6.696761
  H      -2.268095      7.800987      4.402755
  H      -3.488005      8.494311      5.494662
  H      -4.216703      8.349266      3.035560
  H      -4.128630      6.599096      3.176939
  H      -7.366369      8.416426      6.958110
  H     -10.156769      6.330627      3.956764
  H      -9.850497      5.320882      1.690021
  H      -7.616489      5.358539      0.597610
  H      -5.681963      6.390298      1.734422
  H      -6.180014      2.392866      7.701673
  H      -6.243882      2.296818      5.935943
  H      -6.422663      4.873307      7.583192
  H      -6.309150      4.809996      5.818240
  H      -8.560063      3.500820      7.460651
  H      -8.646122      5.103793      6.752796
  H      -7.711971      2.417768      2.436323
  H     -12.302063      2.286506      2.724701
  H     -13.972286      2.953907      4.464964
  H     -13.200769      3.904363      6.634186
  H     -10.788904      4.193683      7.085871
  N      -4.945336      3.886517      3.839702
  H      -5.930471      3.617407      3.984282
  H      -4.876298      4.456347      2.994831
98
Coordinates from ORCA-job orca E -6204.345051100368
  N      -2.563860      1.892850      4.241277
  Mo     -3.427546      3.475413      5.067283
  N      -4.447802      3.057754      6.693334
  C      -3.725108      3.085077      7.961640
  C      -2.345879      2.462932      7.757995
  N      -1.700127      3.045102      6.553946
  C      -0.785819      2.087734      5.880771
  C      -1.589453      1.132379      5.017009
  C      -1.020874      4.339457      6.820716
  C      -1.093067      5.174380      5.539367
  N      -2.486352      5.247639      5.101599
  H      -0.902303      0.588166      4.341270
  H      -2.083426      0.361407      5.643429
  H      -0.120412      2.674332      5.232867
  H      -0.161460      1.553500      6.619059
  H      -0.675683      6.181224      5.714857
  H      -0.477792      4.711584      4.750983
  H      -1.575794      4.854959      7.618014
  H       0.012576      4.174040      7.176345
  H      -4.266486      2.505983      8.730881
  H      -3.625021      4.116479      8.355454
  H      -2.471609      1.386580      7.573956
  H      -1.702181      2.590149      8.646546
  C      -3.252723      1.079004      3.236990
  C      -4.199390      0.006733      3.837625
  C      -5.638392      0.081596      3.287425
  C      -5.721639     -0.026386      1.791570
  N      -5.937319      1.103692      1.114371
  C      -5.974904      1.022765     -0.239806
  N      -5.822510     -0.049936     -0.994182
  C      -5.619196     -1.226895     -0.323720
  C      -5.467085     -2.424378     -1.062626
  C      -5.273680     -3.626631     -0.407761
  C      -5.229180     -3.675918      1.003303
  C      -5.371304     -2.520589      1.749410
  C      -5.564409     -1.270944      1.106479
  C      -3.213803      6.367423      5.722493
  C      -3.254474      7.637433      4.861288
  C      -4.300492      7.535837      3.752119
  C      -5.720896      7.513987      4.267435
  N      -5.954274      8.035788      5.472070
  C      -7.219710      7.973745      5.949451
  N      -8.278831      7.430926      5.373450
  C      -8.072209      6.897500      4.129803
  C      -9.157886      6.294163      3.449277
  C      -8.972073      5.741486      2.196254
  C      -7.704467      5.778816      1.576847
  C      -6.628053      6.366342      2.216700
  C      -6.781727      6.930125      3.509071
  C      -5.903477      2.913075      6.746265
  C      -6.667612      4.241813      6.664783
  C      -8.184542      4.086166      6.581127
  C      -8.738984      3.496768      5.307902
  N      -7.908178      3.127989      4.334979
  C      -8.442577      2.624104      3.192019
  N      -9.720204      2.426879      2.920970
  C     -10.602809      2.797186      3.900445
  C     -11.990700      2.635283      3.673815
  C     -12.904675      3.018060      4.639432
  C     -12.465999      3.572831      5.860440
  C     -11.114113      3.738878      6.108828
  C     -10.155461      3.354336      5.140047
  H      -2.494229      0.588571      2.597090
  H      -3.828941      1.758581      2.597752
  H      -4.258907      0.162326      4.926764
  H      -3.789272     -1.002613      3.684566
  H      -6.243149     -0.711073      3.756228
  H      -6.076975      1.046739      3.574397
  H      -6.151671      1.969574     -0.760883
  H      -5.513523     -2.363653     -2.150950
  H      -5.160115     -4.547578     -0.982275
  H      -5.084925     -4.633887      1.505758
  H      -5.341885     -2.570265      2.838548
  H      -4.248223      6.061844      5.944342
  H      -2.758544      6.602786      6.703137
  H      -2.260254      7.811381      4.420314
  H      -3.490292      8.496071      5.505958
  H      -4.197869      8.376003      3.042142
  H      -4.112068      6.623314      3.165006
  H      -7.372751      8.418330      6.938946
  H     -10.128808      6.276551      3.945841
  H      -9.807345      5.262228      1.683480
  H      -7.574605      5.334329      0.589115
  H      -5.657708      6.402477      1.720945
  H      -6.178893      2.377381      7.674273
  H      -6.226285      2.279324      5.907654
  H      -6.425317      4.860956      7.543035
  H      -6.307926      4.785788      5.779510
  H      -8.558012      3.488396      7.432537
  H      -8.645395      5.081956      6.703228
  H      -7.718229      2.347427      2.417752
  H     -12.306313      2.207896      2.720880
  H     -13.973794      2.894132      4.457189
  H     -13.198318      3.874688      6.611042
  H     -10.785862      4.175640      7.052232
  N      -4.922024      3.865320      3.828087
  H      -5.902586      3.572279      3.957557
  H      -4.857018      4.438368      2.985277
98
Coordinates from ORCA-job orca E -6204.345058450222
  N      -2.534479      1.892026      4.252658
  Mo     -3.416117      3.469943      5.068442
  N      -4.444033      3.048214      6.688517
  C      -3.731202      3.085425      7.962043
  C      -2.346868      2.471119      7.770927
  N      -1.696544      3.053271      6.569099
  C      -0.771691      2.098203      5.906872
  C      -1.564253      1.137092      5.039476
  C      -1.025800      4.352083      6.836955
  C      -1.093106      5.181443      5.551811
  N      -2.483784      5.247633      5.104594
  H      -0.870118      0.593596      4.370567
  H      -2.061128      0.366463      5.663985
  H      -0.103651      2.685850      5.262696
  H      -0.151262      1.569402      6.652281
  H      -0.679699      6.190574      5.723642
  H      -0.472040      4.716282      4.769381
  H      -1.589768      4.867465      7.627960
  H       0.005446      4.192990      7.201479
  H      -4.275488      2.506729      8.729614
  H      -3.640132      4.119031      8.352325
  H      -2.465003      1.393336      7.590168
  H      -1.709748      2.605592      8.663046
  C      -3.204835      1.074771      3.238540
  C      -4.168949      0.009357      3.824758
  C      -5.607935      0.118346      3.279513
  C      -5.697874      0.008529      1.784319
  N      -5.884164      1.141448      1.103302
  C      -5.927685      1.056762     -0.250521
  N      -5.807932     -0.022489     -1.001248
  C      -5.635255     -1.202138     -0.326938
  C      -5.519089     -2.406170     -1.061787
  C      -5.356879     -3.610790     -0.402990
  C      -5.308424     -3.656028      1.008143
  C      -5.415716     -2.494412      1.750234
  C      -5.576797     -1.242291      1.103228
  C      -3.220051      6.365295      5.719292
  C      -3.261873      7.632774      4.854327
  C      -4.304378      7.525887      3.742317
  C      -5.726092      7.504879      4.254275
  N      -5.962379      8.033386      5.455551
  C      -7.228200      7.971204      5.931570
  N      -8.285811      7.424203      5.356672
  C      -8.076653      6.885185      4.115743
  C      -9.160925      6.278586      3.436107
  C      -8.972585      5.718885      2.186450
  C      -7.703794      5.752473      1.569726
  C      -6.628565      6.343682      2.208548
  C      -6.784766      6.914964      3.497404
  C      -5.899266      2.900036      6.732226
  C      -6.663999      4.228535      6.661242
  C      -8.181116      4.074841      6.579109
  C      -8.738529      3.483954      5.308080
  N      -7.910349      3.114367      4.333137
  C      -8.448527      2.610707      3.191933
  N      -9.727053      2.414628      2.924040
  C     -10.606816      2.784702      3.906166
  C     -11.995375      2.622947      3.683568
  C     -12.906594      3.006681      4.651446
  C     -12.464206      3.562562      5.870556
  C     -11.111528      3.728432      6.114971
  C     -10.155651      3.342484      5.144102
  H      -2.433851      0.579033      2.618194
  H      -3.764293      1.752472      2.582585
  H      -4.223169      0.148906      4.916253
  H      -3.777893     -1.004822      3.655064
  H      -6.229210     -0.659575      3.751355
  H      -6.022428      1.094055      3.566935
  H      -6.080006      2.006195     -0.774787
  H      -5.567594     -2.348340     -2.150174
  H      -5.270915     -4.536637     -0.974363
  H      -5.188754     -4.615674      1.513974
  H      -5.383334     -2.541213      2.839439
  H      -4.254088      6.055452      5.936956
  H      -2.770536      6.605525      6.701364
  H      -2.266648      7.808341      4.416251
  H      -3.501647      8.492346      5.496304
  H      -4.200205      8.363346      3.029533
  H      -4.114392      6.610843      3.159594
  H      -7.383643      8.420857      6.918441
  H     -10.132946      6.263992      3.930603
  H      -9.807332      5.237923      1.674298
  H      -7.571422      5.301566      0.585185
  H      -5.657586      6.378168      1.713958
  H      -6.178428      2.352330      7.652140
  H      -6.216410      2.276504      5.883981
  H      -6.420884      4.842317      7.542989
  H      -6.304808      4.778250      5.779246
  H      -8.554314      3.479378      7.432258
  H      -8.639401      5.072148      6.699263
  H      -7.727053      2.337383      2.414045
  H     -12.313713      2.195120      2.731751
  H     -13.976288      2.883266      4.472327
  H     -13.194384      3.865545      6.622832
  H     -10.780740      4.166224      7.056996
  N      -4.912460      3.846529      3.827965
  H      -5.892285      3.554590      3.963025
  H      -4.853331      4.412484      2.980034
98
Coordinates from ORCA-job orca E -6204.345065662594
  N      -2.546854      1.891485      4.250335
  Mo     -3.420661      3.472243      5.069054
  N      -4.445822      3.053089      6.691661
  C      -3.729297      3.088257      7.963165
  C      -2.347355      2.469655      7.768235
  N      -1.698230      3.050078      6.565064
  C      -0.778371      2.092846      5.899217
  C      -1.575881      1.134120      5.033640
  C      -1.023127      4.346840      6.831289
  C      -1.091997      5.177523      5.547042
  N      -2.483726      5.247079      5.103836
  H      -0.884613      0.589260      4.362679
  H      -2.072432      0.364187      5.659283
  H      -0.110763      2.679089      5.253309
  H      -0.156936      1.561753      6.642160
  H      -0.676449      6.185637      5.719654
  H      -0.473581      4.712405      4.762450
  H      -1.582892      4.863321      7.624609
  H       0.009026      4.184765      7.192098
  H      -4.272950      2.511154      8.732359
  H      -3.633906      4.121638      8.352958
  H      -2.469017      1.392271      7.587436
  H      -1.707819      2.602003      8.658996
  C      -3.222619      1.076229      3.238034
  C      -4.181231      0.007295      3.826235
  C      -5.619626      0.105674      3.277696
  C      -5.705193     -0.004708      1.782195
  N      -5.900147      1.126833      1.101202
  C      -5.939104      1.042281     -0.252738
  N      -5.806993     -0.035510     -1.003623
  C      -5.624904     -1.213758     -0.329363
  C      -5.494812     -2.416231     -1.064427
  C      -5.322507     -3.619548     -0.405745
  C      -5.277721     -3.664927      1.005458
  C      -5.398579     -2.504774      1.747810
  C      -5.570112     -1.254014      1.100943
  C      -3.215779      6.366658      5.719775
  C      -3.259023      7.632904      4.853258
  C      -4.304057      7.524212      3.743833
  C      -5.724770      7.504262      4.258500
  N      -5.958365      8.030692      5.461129
  C      -7.223955      7.971103      5.938299
  N      -8.283546      7.428139      5.363334
  C      -8.076994      6.890703      4.121337
  C      -9.163719      6.288833      3.441303
  C      -8.978083      5.731319      2.190357
  C      -7.709415      5.761864      1.572898
  C      -6.632022      6.348786      2.211874
  C      -6.785726      6.918314      3.501748
  C      -5.901175      2.905994      6.739069
  C      -6.665974      4.234662      6.666800
  C      -8.182944      4.080147      6.583369
  C      -8.738787      3.491989      5.310338
  N      -7.909354      3.125419      4.335338
  C      -8.445762      2.623681      3.192376
  N      -9.723774      2.425983      2.923274
  C     -10.604802      2.793011      3.905369
  C     -11.992951      2.630007      3.681209
  C     -12.905465      3.010343      4.649189
  C     -12.464913      3.563906      5.870044
  C     -11.112690      3.730976      6.116021
  C     -10.155507      3.348722      5.144910
  H      -2.454843      0.583049      2.611665
  H      -3.787171      1.754887      2.587385
  H      -4.238025      0.149597      4.917339
  H      -3.783656     -1.005004      3.659950
  H      -6.236452     -0.676583      3.748140
  H      -6.042025      1.078340      3.563724
  H      -6.098852      1.990466     -0.776947
  H      -5.540760     -2.358303     -2.152906
  H      -5.225822     -4.544293     -0.977304
  H      -5.150058     -4.623590      1.511080
  H      -5.368992     -2.551585      2.837043
  H      -4.249531      6.058800      5.941541
  H      -2.762398      6.607291      6.699976
  H      -2.264813      7.807405      4.412530
  H      -3.497234      8.493567      5.494361
  H      -4.201537      8.360385      3.029218
  H      -4.115060      6.608328      3.162101
  H      -7.377095      8.419244      6.926189
  H     -10.135378      6.276083      3.936597
  H      -9.814377      5.253356      1.678086
  H      -7.579261      5.312413      0.587413
  H      -5.661062      6.380665      1.716968
  H      -6.178600      2.361034      7.661156
  H      -6.220535      2.280012      5.893518
  H      -6.423462      4.848654      7.548653
  H      -6.306492      4.784180      5.784772
  H      -8.556384      3.482209      7.434660
  H      -8.642425      5.076598      6.705932
  H      -7.722993      2.352078      2.414930
  H     -12.309957      2.203864      2.728178
  H     -13.974811      2.885703      4.468865
  H     -13.196093      3.864089      6.622448
  H     -10.783166      4.166838      7.059391
  N      -4.916255      3.854835      3.829439
  H      -5.897326      3.567490      3.965416
  H      -4.853816      4.419496      2.980800
98
Coordinates from ORCA-job orca E -6204.345071244025
  N      -2.541294      1.892069      4.254836
  Mo     -3.415895      3.474230      5.070058
  N      -4.443125      3.055313      6.691346
  C      -3.728680      3.095049      7.963871
  C      -2.346203      2.476304      7.772941
  N      -1.695199      3.054168      6.569580
  C      -0.775042      2.095531      5.906249
  C      -1.571648      1.135859      5.040800
  C      -1.019963      4.351153      6.834077
  C      -1.087888      5.179900      5.548531
  N      -2.479388      5.249339      5.104742
  H      -0.879228      0.590034      4.371822
  H      -2.069227      0.366762      5.666783
  H      -0.106265      2.680596      5.260427
  H      -0.154802      1.565075      6.650690
  H      -0.672092      6.188101      5.720009
  H      -0.469201      4.713468      4.764963
  H      -1.579895      4.868959      7.626388
  H       0.012063      4.189473      7.195453
  H      -4.273454      2.520457      8.734083
  H      -3.633934      4.129752      8.350191
  H      -2.467063      1.398424      7.594574
  H      -1.708408      2.611136      8.664579
  C      -3.213454      1.075994      3.240845
  C      -4.172282      0.005739      3.826352
  C      -5.613149      0.112804      3.286150
  C      -5.707138      0.004598      1.791027
  N      -5.899246      1.137778      1.112088
  C      -5.946223      1.054656     -0.241680
  N      -5.824711     -0.023234     -0.994276
  C      -5.645658     -1.203111     -0.322056
  C      -5.527056     -2.405683     -1.058929
  C      -5.357961     -3.610586     -0.402363
  C      -5.304956     -3.657455      1.008520
  C      -5.414570     -2.497253      1.752588
  C      -5.582815     -1.244874      1.107879
  C      -3.211240      6.369586      5.719812
  C      -3.258517      7.633785      4.850576
  C      -4.304567      7.519652      3.742847
  C      -5.724825      7.499210      4.258795
  N      -5.957920      8.023630      5.462324
  C      -7.223496      7.963774      5.939654
  N      -8.283377      7.422123      5.364112
  C      -8.077230      6.886475      4.121272
  C      -9.164296      6.286057      3.440426
  C      -8.979089      5.730559      2.188555
  C      -7.710448      5.761575      1.571057
  C      -6.632835      6.347241      2.210728
  C      -6.786226      6.914825      3.501427
  C      -5.898080      2.904792      6.736134
  C      -6.665938      4.231886      6.665816
  C      -8.182467      4.074352      6.579081
  C      -8.734416      3.487459      5.303710
  N      -7.902031      3.125558      4.329464
  C      -8.434488      2.624140      3.184474
  N      -9.711251      2.421594      2.913083
  C     -10.595282      2.784053      3.894165
  C     -11.982416      2.616150      3.667345
  C     -12.898104      2.991721      4.634257
  C     -12.461759      3.545076      5.856700
  C     -11.110563      3.716832      6.105337
  C     -10.150277      3.339668      5.135341
  H      -2.443089      0.583958      2.616760
  H      -3.777082      1.753787      2.588471
  H      -4.222754      0.139687      4.918742
  H      -3.779016     -1.006521      3.650041
  H      -6.231558     -0.666869      3.758766
  H      -6.028798      1.087253      3.575918
  H      -6.102859      2.004227     -0.764126
  H      -5.579127     -2.346462     -2.147067
  H      -5.270278     -4.535394     -0.975295
  H      -5.179919     -4.617267      1.512537
  H      -5.378691     -2.545276      2.841572
  H      -4.244019      6.061287      5.945507
  H      -2.755244      6.613030      6.698083
  H      -2.265187      7.810206      4.408517
  H      -3.498544      8.494996      5.490285
  H      -4.204237      8.353125      3.024695
  H      -4.115041      6.601789      3.164288
  H      -7.376162      8.410138      6.928440
  H     -10.135811      6.272730      3.935961
  H      -9.815485      5.253373      1.675738
  H      -7.580686      5.313582      0.584945
  H      -5.661765      6.379078      1.716112
  H      -6.175775      2.356484      7.656222
  H      -6.214268      2.280283      5.888413
  H      -6.426396      4.844179      7.549640
  H      -6.305912      4.784427      5.785852
  H      -8.556342      3.473999      7.428487
  H      -8.644496      5.069444      6.702916
  H      -7.709212      2.355694      2.408315
  H     -12.296162      2.190164      2.713151
  H     -13.966666      2.863221      4.451876
  H     -13.195374      3.841323      6.608285
  H     -10.784332      4.152324      7.050031
  N      -4.910076      3.856216      3.828604
  H      -5.891565      3.570196      3.964894
  H      -4.845350      4.415051      2.976257
98
Coordinates from ORCA-job orca E -6204.345081534178
  N      -2.534577      1.890577      4.262047
  Mo     -3.412106      3.473364      5.072760
  N      -4.441311      3.055981      6.693377
  C      -3.729032      3.101573      7.966876
  C      -2.346031      2.482696      7.780484
  N      -1.693225      3.057335      6.576602
  C      -0.772061      2.097121      5.917108
  C      -1.567096      1.135812      5.052026
  C      -1.018594      4.355120      6.838578
  C      -1.085363      5.180644      5.550892
  N      -2.476465      5.248821      5.105654
  H      -0.873185      0.588421      4.385896
  H      -2.066218      0.368174      5.678573
  H      -0.101896      2.680663      5.271351
  H      -0.153378      1.568000      6.663808
  H      -0.669921      6.189331      5.720328
  H      -0.465809      4.712383      4.769102
  H      -1.579416      4.874772      7.629045
  H       0.013137      4.194603      7.201367
  H      -4.274913      2.530083      8.738617
  H      -3.635091      4.137935      8.348907
  H      -2.466058      1.404208      7.605216
  H      -1.709937      2.620589      8.672884
  C      -3.199870      1.074000      3.243913
  C      -4.162356      0.003278      3.822392
  C      -5.604282      0.123943      3.287760
  C      -5.703433      0.017678      1.792794
  N      -5.888138      1.152789      1.114959
  C      -5.938998      1.070949     -0.238738
  N      -5.828132     -0.007395     -0.992333
  C      -5.656950     -1.189108     -0.321273
  C      -5.550062     -2.392073     -1.059264
  C      -5.389168     -3.598810     -0.403980
  C      -5.333052     -3.647092      1.006724
  C      -5.431312     -2.486568      1.751865
  C      -5.590788     -1.232326      1.108485
  C      -3.209131      6.370331      5.717543
  C      -3.260044      7.630888      4.843299
  C      -4.307119      7.509638      3.737367
  C      -5.727107      7.490195      4.254167
  N      -5.960043      8.015932      5.457142
  C      -7.225929      7.958068      5.934025
  N      -8.286332      7.417598      5.358372
  C      -8.080301      6.880490      4.116126
  C      -9.168006      6.281523      3.434965
  C      -8.982845      5.724472      2.183784
  C      -7.713423      5.751856      1.567602
  C      -6.635275      6.336256      2.207471
  C      -6.788872      6.906014      3.497147
  C      -5.895966      2.903805      6.736526
  C      -6.664999      4.230376      6.668222
  C      -8.181318      4.072014      6.579364
  C      -8.731244      3.485612      5.302947
  N      -7.897367      3.127018      4.328721
  C      -8.427861      2.625626      3.182840
  N      -9.703887      2.419212      2.910873
  C     -10.589412      2.778527      3.891746
  C     -11.975949      2.606925      3.664094
  C     -12.893237      2.979520      4.630675
  C     -12.459093      3.533366      5.853653
  C     -11.108481      3.708565      6.103192
  C     -10.146613      3.334546      5.133526
  H      -2.424573      0.582294      2.625728
  H      -3.759222      1.751013      2.586952
  H      -4.207821      0.125497      4.916378
  H      -3.775855     -1.009281      3.633350
  H      -6.227931     -0.650925      3.761437
  H      -6.010446      1.101729      3.579605
  H      -6.089053      2.022104     -0.760184
  H      -5.604442     -2.331610     -2.147225
  H      -5.310588     -4.523892     -0.977763
  H      -5.214707     -4.608248      1.509785
  H      -5.393346     -2.535752      2.840705
  H      -4.241027      6.061501      5.946495
  H      -2.751679      6.618136      6.693982
  H      -2.267572      7.807519      4.399428
  H      -3.501195      8.494217      5.479723
  H      -4.208577      8.339121      3.014333
  H      -4.117192      6.588795      3.163612
  H      -7.378355      8.405276      6.922462
  H     -10.139963      6.270582      3.929723
  H      -9.819678      5.248325      1.670746
  H      -7.583606      5.302084      0.582307
  H      -5.663492      6.365049      1.714075
  H      -6.174025      2.352855      7.654974
  H      -6.210289      2.280868      5.887089
  H      -6.427040      4.840995      7.553647
  H      -6.304255      4.785194      5.789922
  H      -8.555972      3.471010      7.427927
  H      -8.644027      5.066798      6.703221
  H      -7.701394      2.359813      2.406923
  H     -12.288002      2.180634      2.709481
  H     -13.961334      2.848185      4.447597
  H     -13.193921      3.827210      6.604985
  H     -10.783965      4.144302      7.048360
  N      -4.906026      3.852076      3.830463
  H      -5.888527      3.571005      3.970200
  H      -4.839432      4.399441      2.970831
98
Coordinates from ORCA-job orca E -6204.345110448964
  N      -2.520415      1.884498      4.281081
  Mo     -3.406694      3.466866      5.082633
  N      -4.439853      3.056263      6.703419
  C      -3.730812      3.112253      7.978329
  C      -2.347057      2.493126      7.799823
  N      -1.691093      3.061717      6.594998
  C      -0.766489      2.099309      5.944104
  C      -1.556911      1.133704      5.079584
  C      -1.019670      4.362227      6.851363
  C      -1.083551      5.179761      5.558456
  N      -2.473345      5.242959      5.108096
  H      -0.859070      0.583922      4.419560
  H      -2.058178      0.368388      5.707141
  H      -0.093664      2.680185      5.298804
  H      -0.151019      1.573645      6.695879
  H      -0.670684      6.190211      5.723594
  H      -0.460314      4.708116      4.781614
  H      -1.583877      4.885782      7.636855
  H       0.011227      4.205717      7.218424
  H      -4.278194      2.545991      8.752908
  H      -3.638468      4.151477      8.352983
  H      -2.465773      1.413579      7.630037
  H      -1.713853      2.636307      8.693519
  C      -3.167711      1.066715      3.252358
  C      -4.137106     -0.007348      3.812396
  C      -5.581795      0.145356      3.292941
  C      -5.693796      0.049234      1.797962
  N      -5.865931      1.190932      1.127519
  C      -5.925207      1.117855     -0.226304
  N      -5.834149      0.042520     -0.986763
  C      -5.677190     -1.145555     -0.323398
  C      -5.592444     -2.345436     -1.069110
  C      -5.447085     -3.558620     -0.421968
  C      -5.385461     -3.616313      0.988082
  C      -5.461984     -2.458985      1.740683
  C      -5.604133     -1.198354      1.105757
  C      -3.209541      6.368460      5.708417
  C      -3.264672      7.619227      4.820681
  C      -4.312611      7.481963      3.717393
  C      -5.732600      7.466661      4.234142
  N      -5.966646      8.000897      5.433206
  C      -7.233784      7.949844      5.907646
  N      -8.294787      7.409825      5.332600
  C      -8.087464      6.863585      4.094555
  C      -9.175854      6.265226      3.413833
  C      -8.989174      5.698987      2.167022
  C      -7.717114      5.714955      1.555459
  C      -6.638431      6.298744      2.194770
  C      -6.794131      6.879352      3.479323
  C      -5.894483      2.905394      6.746142
  C      -6.661818      4.232924      6.674340
  C      -8.178103      4.076410      6.582932
  C      -8.725610      3.485192      5.308013
  N      -7.889669      3.127244      4.335292
  C      -8.417477      2.619937      3.190963
  N      -9.692398      2.405792      2.919691
  C     -10.580020      2.765252      3.898627
  C     -11.965662      2.586639      3.671085
  C     -12.885107      2.959903      4.635381
  C     -12.454069      3.521285      5.855981
  C     -11.104331      3.703006      6.105598
  C     -10.140271      3.328356      5.138242
  H      -2.379843      0.577746      2.648143
  H      -3.717857      1.741468      2.585141
  H      -4.169536      0.083137      4.909948
  H      -3.766084     -1.018730      3.589183
  H      -6.216685     -0.620176      3.766967
  H      -5.966293      1.129443      3.592452
  H      -6.064304      2.074211     -0.741335
  H      -5.651398     -2.277372     -2.156391
  H      -5.385696     -4.481259     -1.001687
  H      -5.280240     -4.582281      1.484833
  H      -5.420786     -2.515599      2.828997
  H      -4.240490      6.059098      5.940725
  H      -2.752820      6.626929      6.682326
  H      -2.273225      7.793011      4.373617
  H      -3.507370      8.489362      5.447179
  H      -4.216390      8.302185      2.983525
  H      -4.121590      6.554164      3.155255
  H      -7.386908      8.403456      6.893017
  H     -10.149536      6.262211      3.905396
  H      -9.826483      5.223372      1.654358
  H      -7.585983      5.256955      0.574052
  H      -5.664386      6.318086      1.705418
  H      -6.173576      2.356886      7.665728
  H      -6.208256      2.280158      5.898237
  H      -6.424989      4.844465      7.559475
  H      -6.298652      4.786442      5.796144
  H      -8.555680      3.480052      7.433342
  H      -8.639424      5.072612      6.701083
  H      -7.689472      2.355382      2.416109
  H     -12.275374      2.154752      2.718229
  H     -13.952496      2.823190      4.452234
  H     -13.190546      3.815766      6.605429
  H     -10.782122      4.144532      7.048861
  N      -4.899661      3.835366      3.837775
  H      -5.885068      3.567482      3.984306
  H      -4.826674      4.350196      2.958703
98
Coordinates from ORCA-job orca E -6204.345138464235
  N      -2.518302      1.878784      4.291408
  Mo     -3.410247      3.458262      5.092232
  N      -4.443862      3.054640      6.715648
  C      -3.733158      3.109493      7.989806
  C      -2.349876      2.490157      7.810035
  N      -1.694237      3.058828      6.605363
  C      -0.766978      2.097989      5.956524
  C      -1.554330      1.130341      5.091536
  C      -1.026664      4.361538      6.860072
  C      -1.089233      5.175678      5.564999
  N      -2.477987      5.233980      5.110360
  H      -0.854227      0.581737      4.432827
  H      -2.053944      0.364013      5.718944
  H      -0.094155      2.679413      5.311868
  H      -0.151827      1.573685      6.709467
  H      -0.680250      6.187750      5.729821
  H      -0.461974      4.704600      4.790986
  H      -1.593870      4.885906      7.642934
  H       0.003843      4.208382      7.229891
  H      -4.279401      2.542199      8.764541
  H      -3.640751      4.148374      8.365617
  H      -2.469012      1.410742      7.639473
  H      -1.716266      2.632359      8.703708
  C      -3.155169      1.060568      3.256490
  C      -4.122263     -0.021007      3.805523
  C      -5.569606      0.141444      3.295837
  C      -5.688506      0.057630      1.800308
  N      -5.865740      1.205028      1.140376
  C      -5.928312      1.143834     -0.213851
  N      -5.835646      0.075650     -0.984082
  C      -5.674809     -1.117984     -0.331590
  C      -5.588899     -2.310816     -1.088214
  C      -5.440812     -3.529745     -0.452282
  C      -5.378206     -3.600100      0.957036
  C      -5.455444     -2.449783      1.720228
  C      -5.599063     -1.183609      1.096943
  C      -3.217607      6.362871      5.699691
  C      -3.268329      7.607612      4.803513
  C      -4.315066      7.464386      3.699590
  C      -5.735830      7.453588      4.213951
  N      -5.972033      7.998291      5.407986
  C      -7.240549      7.953930      5.879302
  N      -8.301275      7.411901      5.305441
  C      -8.091588      6.854379      4.072898
  C      -9.179533      6.253360      3.393745
  C      -8.990192      5.675822      2.152556
  C      -7.715673      5.681918      1.545435
  C      -6.637440      6.267832      2.183297
  C      -6.796143      6.860976      3.461793
  C      -5.899499      2.912382      6.763106
  C      -6.659193      4.243759      6.678691
  C      -8.176193      4.094015      6.589827
  C      -8.726637      3.494285      5.320509
  N      -7.892371      3.127719      4.349603
  C      -8.422439      2.611481      3.210512
  N      -9.697976      2.395893      2.943160
  C     -10.583942      2.765244      3.919927
  C     -11.970140      2.587071      3.695645
  C     -12.887670      2.970663      4.657614
  C     -12.454291      3.542273      5.872667
  C     -11.104019      3.723506      6.119166
  C     -10.141750      3.338290      5.154013
  H      -2.360070      0.577487      2.657101
  H      -3.704556      1.733438      2.586615
  H      -4.146825      0.049448      4.904822
  H      -3.754136     -1.028605      3.561162
  H      -6.205593     -0.625102      3.766794
  H      -5.948672      1.125071      3.603406
  H      -6.071947      2.104426     -0.719921
  H      -5.649519     -2.232878     -2.174734
  H      -5.378465     -4.446962     -1.040407
  H      -5.271680     -4.570475      1.444890
  H      -5.414274     -2.516146      2.807965
  H      -4.249746      6.054436      5.927553
  H      -2.766841      6.626575      6.674939
  H      -2.276076      7.774908      4.356086
  H      -3.509479      8.483500      5.422499
  H      -4.217418      8.280696      2.961562
  H      -4.123734      6.533467      3.142857
  H      -7.395327      8.415772      6.860522
  H     -10.154986      6.257506      3.881891
  H      -9.827096      5.198257      1.641163
  H      -7.582571      5.214918      0.568390
  H      -5.661353      6.278945      1.697714
  H      -6.179511      2.377305      7.690159
  H      -6.218948      2.278184      5.923796
  H      -6.418575      4.861959      7.558248
  H      -6.293878      4.787437      5.795306
  H      -8.556398      3.507207      7.445566
  H      -8.632584      5.093594      6.699130
  H      -7.695693      2.339325      2.437066
  H     -12.281788      2.147318      2.747036
  H     -13.955460      2.834223      4.476873
  H     -13.189320      3.845108      6.620182
  H     -10.779691      4.173201      7.057833
  N      -4.902267      3.819750      3.845365
  H      -5.889883      3.560724      3.993485
  H      -4.822544      4.312338      2.954132
98
Coordinates from ORCA-job orca E -6204.345169171675
  N      -2.506920      1.871926      4.308316
  Mo     -3.412259      3.445509      5.106231
  N      -4.450448      3.051298      6.730529
  C      -3.741019      3.102674      8.005705
  C      -2.356487      2.486661      7.826904
  N      -1.699324      3.057653      6.624492
  C      -0.763954      2.101251      5.981440
  C      -1.542072      1.129223      5.113027
  C      -1.040911      4.364933      6.878988
  C      -1.098175      5.173230      5.580092
  N      -2.483799      5.222281      5.114556
  H      -0.835661      0.584823      4.457408
  H      -2.038778      0.359471      5.738344
  H      -0.090251      2.685054      5.340040
  H      -0.150612      1.580169      6.738011
  H      -0.696435      6.188249      5.744601
  H      -0.462150      4.702993      4.812656
  H      -1.616736      4.889597      7.655452
  H      -0.012215      4.218866      7.256893
  H      -4.286537      2.530607      8.777546
  H      -3.652360      4.140243      8.386306
  H      -2.473446      1.407320      7.654013
  H      -1.724890      2.628003      8.722232
  C      -3.122703      1.051542      3.262149
  C      -4.088127     -0.041489      3.792144
  C      -5.541081      0.139479      3.304222
  C      -5.678699      0.075240      1.808945
  N      -5.861688      1.231557      1.165730
  C      -5.938936      1.187898     -0.188374
  N      -5.854842      0.129803     -0.973365
  C      -5.689840     -1.072555     -0.337969
  C      -5.613711     -2.255575     -1.110766
  C      -5.463021     -3.483216     -0.492111
  C      -5.388606     -3.571975      0.915451
  C      -5.455354     -2.431406      1.694250
  C      -5.600375     -1.156888      1.088819
  C      -3.230598      6.355908      5.684961
  C      -3.269490      7.592992      4.777939
  C      -4.312801      7.445544      3.671108
  C      -5.734573      7.442268      4.182076
  N      -5.972059      8.003374      5.368370
  C      -7.241176      7.966685      5.838265
  N      -8.301804      7.418767      5.269692
  C      -8.090795      6.843957      4.045439
  C      -9.178669      6.235958      3.372511
  C      -8.987900      5.641124      2.139818
  C      -7.712069      5.636044      1.535138
  C      -6.633829      6.228136      2.167014
  C      -6.793967      6.839505      3.436843
  C      -5.907774      2.921563      6.779926
  C      -6.656916      4.257638      6.674390
  C      -8.174899      4.116502      6.590812
  C      -8.728924      3.499902      5.331566
  N      -7.896208      3.119292      4.364921
  C      -8.428030      2.585305      3.235125
  N      -9.704073      2.365847      2.973079
  C     -10.588625      2.750748      3.945208
  C     -11.975247      2.570382      3.725559
  C     -12.890930      2.969885      4.682647
  C     -12.455504      3.560239      5.888107
  C     -11.104898      3.743780      6.130089
  C     -10.144329      3.342297      5.169775
  H      -2.313934      0.577560      2.674115
  H      -3.667878      1.720924      2.585278
  H      -4.097997     -0.004575      4.893235
  H      -3.726921     -1.042549      3.512746
  H      -6.177634     -0.627792      3.772986
  H      -5.908234      1.122485      3.627962
  H      -6.087929      2.155183     -0.680282
  H      -5.684215     -2.163274     -2.195541
  H      -5.408058     -4.392887     -1.092686
  H      -5.281089     -4.548956      1.389692
  H      -5.405665     -2.511884      2.780662
  H      -4.265600      6.049018      5.900889
  H      -2.793162      6.626355      6.664478
  H      -2.274668      7.749602      4.332624
  H      -3.507711      8.476546      5.387074
  H      -4.210897      8.258019      2.929453
  H      -4.122551      6.510957      3.120416
  H      -7.396911      8.441445      6.813108
  H     -10.155138      6.248632      3.858554
  H      -9.824710      5.158203      1.633442
  H      -7.578157      5.155695      0.564572
  H      -5.656798      6.230343      1.683283
  H      -6.191838      2.406583      7.716908
  H      -6.233051      2.274662      5.952320
  H      -6.410151      4.887674      7.543881
  H      -6.289561      4.784560      5.781917
  H      -8.557544      3.545498      7.456009
  H      -8.625442      5.120415      6.684709
  H      -7.702186      2.303431      2.464260
  H     -12.288646      2.116281      2.784304
  H     -13.959045      2.831711      4.505410
  H     -13.189253      3.875898      6.631551
  H     -10.778619      4.208364      7.060829
  N      -4.901209      3.793739      3.852654
  H      -5.891256      3.544083      3.999311
  H      -4.811303      4.259725      2.948054
98
Coordinates from ORCA-job orca E -6204.345200470465
  N      -2.493254      1.862534      4.331378
  Mo     -3.414589      3.429657      5.124629
  N      -4.458180      3.047283      6.750099
  C      -3.750894      3.096808      8.026551
  C      -2.364785      2.484670      7.850235
  N      -1.705606      3.057052      6.650021
  C      -0.760848      2.105271      6.014809
  C      -1.527795      1.127457      5.142950
  C      -1.058181      4.369908      6.902806
  C      -1.109004      5.170009      5.598614
  N      -2.490849      5.207418      5.120468
  H      -0.813618      0.587509      4.491956
  H      -2.021320      0.354234      5.766313
  H      -0.085972      2.691343      5.376868
  H      -0.149687      1.588452      6.776039
  H      -0.716037      6.188623      5.761805
  H      -0.462533      4.700301      4.839572
  H      -1.644345      4.895630      7.670839
  H      -0.031743      4.232875      7.290445
  H      -4.295827      2.520605      8.795889
  H      -3.666594      4.133505      8.410845
  H      -2.478734      1.405151      7.676104
  H      -1.736150      2.626475      8.747679
  C      -3.078528      1.040431      3.268942
  C      -4.038916     -0.070119      3.771362
  C      -5.499209      0.129341      3.313162
  C      -5.662376      0.090845      1.819230
  N      -5.853201      1.258369      1.198191
  C      -5.952012      1.237231     -0.154950
  N      -5.881371      0.192311     -0.958788
  C      -5.709784     -1.020903     -0.346024
  C      -5.648202     -2.191019     -1.139309
  C      -5.492519     -3.429409     -0.543274
  C      -5.399025     -3.541765      0.861297
  C      -5.450777     -2.414082      1.659868
  C      -5.599466     -1.129210      1.077754
  C      -3.245492      6.347875      5.665831
  C      -3.272481      7.573053      4.742533
  C      -4.314070      7.416996      3.635095
  C      -5.736421      7.424382      4.144141
  N      -5.973566      8.004399      5.321477
  C      -7.243210      7.978757      5.790459
  N      -8.305057      7.426319      5.228584
  C      -8.094528      6.832017      4.013653
  C      -9.184000      6.218594      3.348340
  C      -8.993598      5.604578      2.125127
  C      -7.716622      5.584274      1.522843
  C      -6.636647      6.180452      2.147649
  C      -6.796533      6.812439      3.407459
  C      -5.917277      2.933305      6.800738
  C      -6.653476      4.274908      6.672163
  C      -8.172598      4.144016      6.595037
  C      -8.730700      3.511060      5.345903
  N      -7.899388      3.117533      4.383506
  C      -8.432200      2.566267      3.262847
  N      -9.708549      2.342190      3.006026
  C     -10.591998      2.742326      3.973011
  C     -11.979005      2.560134      3.757359
  C     -12.893121      2.975125      4.709155
  C     -12.456145      3.583211      5.905374
  C     -11.105321      3.768715      6.143509
  C     -10.146173      3.351675      5.188322
  H      -2.250861      0.580426      2.696524
  H      -3.618111      1.705494      2.583167
  H      -4.030195     -0.078464      4.872935
  H      -3.683059     -1.059328      3.446198
  H      -6.132867     -0.641831      3.779328
  H      -5.854269      1.109262      3.659457
  H      -6.107654      2.212885     -0.628178
  H      -5.734063     -2.080422     -2.221251
  H      -5.448626     -4.329111     -1.159602
  H      -5.288664     -4.526927      1.317633
  H      -5.386981     -2.512439      2.744024
  H      -4.283090      6.042816      5.870454
  H      -2.822315      6.629754      6.648416
  H      -2.275561      7.715511      4.297360
  H      -3.505615      8.467187      5.337956
  H      -4.208404      8.221467      2.885301
  H      -4.126546      6.475797      3.094956
  H      -7.398364      8.468099      6.758121
  H     -10.161312      6.242977      3.832304
  H      -9.831568      5.117690      1.624571
  H      -7.583525      5.089061      0.559532
  H      -5.658644      6.170250      1.666033
  H      -6.207054      2.440667      7.747837
  H      -6.249614      2.274027      5.985798
  H      -6.398346      4.917480      7.530073
  H      -6.284330      4.782662      5.769587
  H      -8.557249      3.588569      7.469314
  H      -8.617015      5.151951      6.674354
  H      -7.706209      2.273893      2.496015
  H     -12.293886      2.092309      2.823354
  H     -13.961517      2.835579      4.534856
  H     -13.188897      3.911015      6.644518
  H     -10.777264      4.247132      7.066614
  N      -4.900295      3.759850      3.862193
  H      -5.893361      3.523668      4.009320
  H      -4.798032      4.191412      2.941877
98
Coordinates from ORCA-job orca E -6204.345240575160
  N      -2.475043      1.851459      4.361798
  Mo     -3.414799      3.412521      5.146628
  N      -4.466379      3.044423      6.772298
  C      -3.764062      3.095746      8.051229
  C      -2.375880      2.487580      7.881631
  N      -1.712674      3.058586      6.683442
  C      -0.757615      2.110002      6.060041
  C      -1.511563      1.125235      5.184620
  C      -1.076837      4.377531      6.932536
  C      -1.118520      5.166326      5.621179
  N      -2.495541      5.190805      5.128176
  H      -0.788098      0.588375      4.541258
  H      -2.003802      0.349846      5.806204
  H      -0.079844      2.696961      5.426127
  H      -0.150611      1.598504      6.828155
  H      -0.734556      6.188829      5.781067
  H      -0.460321      4.695349      4.873021
  H      -1.675091      4.905987      7.689338
  H      -0.053615      4.250706      7.332280
  H      -4.309823      2.517393      8.818543
  H      -3.685090      4.132575      8.436652
  H      -2.485965      1.407374      7.708939
  H      -1.752114      2.632484      8.782074
  C      -3.019249      1.029071      3.277752
  C      -3.975325     -0.101367      3.742505
  C      -5.443811      0.120997      3.322708
  C      -5.639890      0.113469      1.832080
  N      -5.835022      1.294210      1.237283
  C      -5.962875      1.299215     -0.113439
  N      -5.916506      0.269325     -0.938333
  C      -5.741349     -0.956583     -0.352328
  C      -5.705008     -2.111888     -1.168425
  C      -5.546747     -3.362590     -0.598936
  C      -5.425936     -3.502115      0.800931
  C      -5.452455     -2.389314      1.621474
  C      -5.602453     -1.092572      1.066644
  C      -3.257976      6.340702      5.641448
  C      -3.273925      7.548158      4.694751
  C      -4.316020      7.377341      3.589952
  C      -5.737982      7.399677      4.099438
  N      -5.971629      8.001651      5.266410
  C      -7.241030      7.990369      5.736571
  N      -8.306073      7.434476      5.184449
  C      -8.099359      6.817916      3.980035
  C      -9.192886      6.200347      3.325396
  C      -9.006303      5.564845      2.112748
  C      -7.729296      5.525244      1.511252
  C      -6.645101      6.123772      2.126255
  C      -6.801309      6.779138      3.374546
  C      -5.927014      2.946513      6.821100
  C      -6.650593      4.292986      6.669687
  C      -8.170701      4.171184      6.599297
  C      -8.731517      3.520929      5.360201
  N      -7.900133      3.115404      4.403260
  C      -8.431473      2.544901      3.291949
  N      -9.707453      2.314250      3.039068
  C     -10.591448      2.729023      3.999327
  C     -11.978353      2.542852      3.786245
  C     -12.892551      2.972312      4.731301
  C     -12.456343      3.599075      5.918337
  C     -11.105877      3.788707      6.154049
  C     -10.146503      3.357394      5.205394
  H      -2.167811      0.585353      2.728058
  H      -3.547903      1.690010      2.579321
  H      -3.944197     -0.167175      4.841546
  H      -3.627119     -1.073212      3.361051
  H      -6.073457     -0.654797      3.786461
  H      -5.782705      1.096410      3.697467
  H      -6.122033      2.284821     -0.564678
  H      -5.812088     -1.980287     -2.246099
  H      -5.522101     -4.250814     -1.232821
  H      -5.314470     -4.496603      1.236259
  H      -5.367938     -2.508116      2.702092
  H      -4.297714      6.037995      5.837143
  H      -2.848866      6.640530      6.624720
  H      -2.275672      7.672864      4.247401
  H      -3.499837      8.456241      5.271493
  H      -4.207517      8.167941      2.825983
  H      -4.133539      6.425616      3.066828
  H      -7.392892      8.496551      6.696034
  H     -10.170099      6.239402      3.808642
  H      -9.847288      5.075088      1.620166
  H      -7.599879      5.013129      0.556213
  H      -5.666889      6.097714      1.645742
  H      -6.224411      2.475082      7.776598
  H      -6.265325      2.276855      6.017346
  H      -6.386600      4.948098      7.515409
  H      -6.280650      4.781250      5.756984
  H      -8.556351      3.630455      7.482241
  H      -8.610548      5.182081      6.664378
  H      -7.703381      2.243024      2.530799
  H     -12.293020      2.060476      2.859601
  H     -13.960837      2.829826      4.558780
  H     -13.189466      3.937943      6.652095
  H     -10.777704      4.281406      7.069620
  N      -4.896485      3.720003      3.872426
  H      -5.892467      3.498403      4.020210
  H      -4.780894      4.112579      2.936332
98
Coordinates from ORCA-job orca E -6204.345303322641
  N      -2.454512      1.842355      4.397594
  Mo     -3.410307      3.399923      5.171413
  N      -4.472036      3.044553      6.795415
  C      -3.778972      3.103012      8.078319
  C      -2.388411      2.498157      7.920996
  N      -1.718725      3.063442      6.724090
  C      -0.755744      2.114147      6.115113
  C      -1.498464      1.123145      5.236898
  C      -1.091474      4.387186      6.968049
  C      -1.121242      5.163629      5.649025
  N      -2.492822      5.176668      5.140863
  H      -0.766470      0.584443      4.604844
  H      -1.994892      0.349676      5.857596
  H      -0.072852      2.699206      5.484919
  H      -0.154949      1.607556      6.891388
  H      -0.744395      6.189367      5.804239
  H      -0.451861      4.689314      4.912972
  H      -1.701506      4.920409      7.711952
  H      -0.072332      4.269010      7.380838
  H      -4.328071      2.526343      8.844709
  H      -3.705463      4.141524      8.460581
  H      -2.494142      1.416601      7.754132
  H      -1.771683      2.649968      8.825196
  C      -2.951320      1.023387      3.288551
  C      -3.911886     -0.119807      3.708111
  C      -5.384442      0.127646      3.319302
  C      -5.607035      0.148434      1.832844
  N      -5.789698      1.341434      1.258492
  C      -5.943959      1.367704     -0.089009
  N      -5.934176      0.348920     -0.929137
  C      -5.770526     -0.888349     -0.364209
  C      -5.771280     -2.032622     -1.196502
  C      -5.623616     -3.293782     -0.647303
  C      -5.476928     -3.455140      0.747577
  C      -5.467703     -2.353665      1.583792
  C      -5.606396     -1.046805      1.049812
  C      -3.260894      6.340087      5.613257
  C      -3.270760      7.519940      4.631392
  C      -4.318212      7.323587      3.536335
  C      -5.737952      7.366092      4.050683
  N      -5.963092      7.991475      5.206673
  C      -7.230813      7.997003      5.682070
  N      -8.301530      7.438955      5.143986
  C      -8.103918      6.799481      3.949988
  C      -9.204672      6.179287      3.310277
  C      -9.027199      5.522215      2.107978
  C      -7.752660      5.461285      1.503213
  C      -6.661057      6.060226      2.104571
  C      -6.808209      6.739240      3.341127
  C      -5.933222      2.956219      6.835884
  C      -6.650767      4.304684      6.669931
  C      -8.171567      4.185264      6.607945
  C      -8.735282      3.523088      5.375496
  N      -7.904417      3.110919      4.421503
  C      -8.434195      2.526064      3.317149
  N      -9.709721      2.290431      3.067170
  C     -10.593793      2.714853      4.022755
  C     -11.980765      2.526239      3.811432
  C     -12.894680      2.964313      4.752483
  C     -12.458955      3.601853      5.934214
  C     -11.108804      3.794321      6.168219
  C     -10.149553      3.355244      5.223017
  H      -2.075742      0.589471      2.769997
  H      -3.457742      1.683378      2.572654
  H      -3.866882     -0.241349      4.801746
  H      -3.571089     -1.073467      3.276875
  H      -6.013057     -0.651185      3.779195
  H      -5.705812      1.098265      3.721722
  H      -6.092432      2.362607     -0.523441
  H      -5.897152     -1.884381     -2.269950
  H      -5.627084     -4.173351     -1.293699
  H      -5.373847     -4.457512      1.166492
  H      -5.362595     -2.488210      2.660655
  H      -4.301499      6.040736      5.808173
  H      -2.861668      6.669295      6.591216
  H      -2.273209      7.621439      4.176554
  H      -3.485376      8.446987      5.181639
  H      -4.209964      8.089702      2.747849
  H      -4.143833      6.355337      3.041314
  H      -7.375155      8.521028      6.633080
  H     -10.179790      6.234269      3.796112
  H      -9.873493      5.030788      1.626214
  H      -7.631277      4.931689      0.556655
  H      -5.684366      6.016358      1.622323
  H      -6.240497      2.495739      7.793899
  H      -6.271973      2.283434      6.035471
  H      -6.378712      4.969410      7.505564
  H      -6.284206      4.779100      5.748872
  H      -8.553099      3.650159      7.496113
  H      -8.612302      5.195774      6.667575
  H      -7.703203      2.217688      2.561520
  H     -12.295596      2.035016      2.889515
  H     -13.962975      2.820306      4.581040
  H     -13.192289      3.946440      6.665093
  H     -10.780082      4.294484      7.079603
  N      -4.889183      3.681258      3.883308
  H      -5.886038      3.467112      4.032072
  H      -4.763274      4.042599      2.936238
98
Coordinates from ORCA-job orca E -6204.345391556178
  N      -2.434464      1.839645      4.427343
  Mo     -3.403017      3.393369      5.194294
  N      -4.473751      3.043437      6.815247
  C      -3.789637      3.108774      8.102070
  C      -2.396745      2.507036      7.955815
  N      -1.721186      3.068934      6.760867
  C      -0.751901      2.119951      6.162209
  C      -1.485323      1.125329      5.279912
  C      -1.100784      4.396122      7.002852
  C      -1.120463      5.164651      5.679177
  N      -2.487215      5.168982      5.158230
  H      -0.746096      0.585661      4.657263
  H      -1.985934      0.353055      5.898763
  H      -0.064548      2.704383      5.536288
  H      -0.156721      1.616070      6.944613
  H      -0.749262      6.192691      5.831942
  H      -0.441813      4.688538      4.952789
  H      -1.720412      4.931714      7.736999
  H      -0.085201      4.284191      7.426096
  H      -4.342138      2.533676      8.867303
  H      -3.720979      4.148771      8.481390
  H      -2.498344      1.424439      7.793059
  H      -1.786346      2.664360      8.863416
  C      -2.889991      1.026329      3.296679
  C      -3.848397     -0.132048      3.674629
  C      -5.327289      0.136637      3.326253
  C      -5.583394      0.185614      1.846029
  N      -5.760966      1.389520      1.293051
  C      -5.948426      1.437391     -0.049528
  N      -5.977215      0.430852     -0.903896
  C      -5.818030     -0.816780     -0.361062
  C      -5.857647     -1.948868     -1.209037
  C      -5.713919     -3.219754     -0.681738
  C      -5.532698     -3.403370      0.706231
  C      -5.485864     -2.314373      1.557436
  C      -5.619791     -0.997973      1.045873
  C      -3.260022      6.343330      5.594170
  C      -3.270054      7.495159      4.578663
  C      -4.321207      7.269281      3.493204
  C      -5.739908      7.330183      4.008264
  N      -5.961087      7.977304      5.152696
  C      -7.228888      7.998432      5.628259
  N      -8.303005      7.438444      5.099646
  C      -8.109564      6.777618      3.916587
  C      -9.214512      6.154615      3.286905
  C      -9.040975      5.476380      2.096019
  C      -7.766379      5.394845      1.493823
  C      -6.670590      5.995388      2.085839
  C      -6.814114      6.697493      3.309661
  C      -5.934677      2.958805      6.846611
  C      -6.648786      4.308187      6.671020
  C      -8.169806      4.190730      6.611001
  C      -8.732953      3.517888      5.383446
  N      -7.900388      3.096213      4.435493
  C      -8.427107      2.497963      3.336977
  N      -9.701875      2.259452      3.086537
  C     -10.587960      2.695360      4.034817
  C     -11.974698      2.505826      3.821892
  C     -12.890472      2.954861      4.755759
  C     -12.457426      3.604404      5.932064
  C     -11.107813      3.798207      6.167604
  C     -10.146593      3.348556      5.229332
  H      -1.994185      0.605887      2.802311
  H      -3.381001      1.686329      2.569709
  H      -3.782264     -0.311818      4.759147
  H      -3.517502     -1.062490      3.188270
  H      -5.950949     -0.646742      3.785101
  H      -5.630395      1.100909      3.757092
  H      -6.091682      2.440770     -0.466244
  H      -6.009204     -1.783553     -2.276631
  H      -5.747266     -4.089724     -1.340190
  H      -5.432748     -4.413111      1.107835
  H      -5.353677     -2.465622      2.628991
  H      -4.300248      6.046149      5.793791
  H      -2.866012      6.701871      6.563856
  H      -2.273640      7.579262      4.117759
  H      -3.478731      8.438744      5.102515
  H      -4.213682      8.008837      2.679691
  H      -4.151871      6.284972      3.028760
  H      -7.369652      8.539519      6.570216
  H     -10.189362      6.224292      3.771265
  H      -9.890275      4.982866      1.621680
  H      -7.648483      4.847089      0.557132
  H      -5.693378      5.934176      1.606563
  H      -6.250471      2.502550      7.804111
  H      -6.270208      2.285382      6.045511
  H      -6.373373      4.979060      7.500594
  H      -6.282496      4.773965      5.745554
  H      -8.551072      3.661547      7.502855
  H      -8.610760      5.201338      6.663713
  H      -7.692698      2.182268      2.587804
  H     -12.287808      2.005064      2.904549
  H     -13.958489      2.810266      4.582885
  H     -13.192495      3.957126      6.657324
  H     -10.780511      4.307157      7.074650
  N      -4.879314      3.656553      3.896132
  H      -5.877322      3.450798      4.046232
  H      -4.743477      3.976201      2.935785
98
Coordinates from ORCA-job orca E -6204.345408526146
  N      -2.421518      1.866892      4.434684
  Mo     -3.379797      3.423832      5.211338
  N      -4.456673      3.045056      6.821427
  C      -3.786379      3.117774      8.114248
  C      -2.390835      2.517462      7.979893
  N      -1.709321      3.080386      6.788382
  C      -0.746077      2.128191      6.183684
  C      -1.483586      1.143437      5.292743
  C      -1.080950      4.401840      7.043005
  C      -1.095063      5.183643      5.728063
  N      -2.460460      5.197438      5.205281
  H      -0.744916      0.598562      4.674918
  H      -1.997893      0.375574      5.906482
  H      -0.053801      2.713009      5.563060
  H      -0.155802      1.615922      6.964627
  H      -0.718188      6.208217      5.888253
  H      -0.417499      4.708704      4.999977
  H      -1.700047      4.932453      7.780673
  H      -0.067003      4.280268      7.466701
  H      -4.346654      2.546821      8.876594
  H      -3.719509      4.159147      8.489654
  H      -2.488644      1.434243      7.819458
  H      -1.785952      2.679190      8.890260
  C      -2.864561      1.071064      3.287759
  C      -3.810784     -0.100663      3.641881
  C      -5.293597      0.167199      3.312483
  C      -5.566860      0.217573      1.836395
  N      -5.728474      1.419186      1.276568
  C      -5.944437      1.460986     -0.062149
  N      -6.023808      0.449059     -0.906148
  C      -5.875565     -0.797110     -0.357888
  C      -5.962495     -1.934666     -1.195947
  C      -5.825098     -3.203300     -0.664216
  C      -5.601738     -3.380864      0.718873
  C      -5.511647     -2.287246      1.560156
  C      -5.640990     -0.971699      1.044054
  C      -3.231171      6.381732      5.617998
  C      -3.272695      7.499928      4.563097
  C      -4.327370      7.224508      3.493317
  C      -5.748190      7.295733      4.001168
  N      -5.979466      7.952308      5.137191
  C      -7.252441      7.976188      5.601533
  N      -8.321504      7.412352      5.067831
  C      -8.117322      6.746160      3.889308
  C      -9.216111      6.119954      3.251520
  C      -9.031175      5.434185      2.066782
  C      -7.750459      5.346514      1.479766
  C      -6.661000      5.951786      2.078852
  C      -6.817215      6.662753      3.295096
  C      -5.913139      2.931403      6.833979
  C      -6.647852      4.273184      6.687208
  C      -8.167849      4.144680      6.611461
  C      -8.730206      3.482621      5.375756
  N      -7.901764      3.046741      4.430456
  C      -8.436521      2.456353      3.329905
  N      -9.713429      2.238013      3.075304
  C     -10.594048      2.685164      4.022453
  C     -11.983330      2.513946      3.807490
  C     -12.895094      2.973309      4.740429
  C     -12.455032      3.615478      5.917855
  C     -11.102817      3.792373      6.154796
  C     -10.145843      3.332360      5.217202
  H      -1.965004      0.666185      2.786764
  H      -3.360949      1.739038      2.570967
  H      -3.733492     -0.306631      4.721516
  H      -3.477662     -1.015553      3.128873
  H      -5.907124     -0.622797      3.774085
  H      -5.591412      1.124729      3.759031
  H      -6.070908      2.464149     -0.485053
  H      -6.142937     -1.774601     -2.259850
  H      -5.895867     -4.076745     -1.314806
  H      -5.503687     -4.389421      1.124067
  H      -5.344539     -2.434436      2.627318
  H      -4.264238      6.084538      5.853805
  H      -2.818803      6.781503      6.563410
  H      -2.281183      7.584725      4.090992
  H      -3.489289      8.456308      5.060275
  H      -4.225541      7.924426      2.644679
  H      -4.154601      6.220593      3.073110
  H      -7.401968      8.526310      6.537092
  H     -10.195109      6.190849      3.726469
  H      -9.875691      4.937843      1.586346
  H      -7.622246      4.787202      0.551454
  H      -5.677809      5.883796      1.612911
  H      -6.233027      2.432485      7.769110
  H      -6.225501      2.283167      6.002840
  H      -6.386577      4.931242      7.530916
  H      -6.280116      4.762121      5.773938
  H      -8.549583      3.600928      7.494784
  H      -8.614761      5.151693      6.674653
  H      -7.706725      2.132292      2.580610
  H     -12.301683      2.018240      2.889255
  H     -13.964845      2.842432      4.566278
  H     -13.186939      3.976228      6.642538
  H     -10.770235      4.295039      7.063293
  N      -4.857436      3.699814      3.909764
  H      -5.851942      3.479513      4.061734
  H      -4.724375      4.005256      2.945317
98
Coordinates from ORCA-job orca E -6204.345665051909
  N      -2.418847      1.850396      4.457345
  Mo     -3.388733      3.404219      5.225345
  N      -4.468262      3.045462      6.839911
  C      -3.796019      3.120995      8.132191
  C      -2.401232      2.519434      7.999119
  N      -1.719449      3.077120      6.805479
  C      -0.751431      2.123766      6.210961
  C      -1.483583      1.132486      5.322762
  C      -1.096958      4.403110      7.051080
  C      -1.107640      5.172501      5.728587
  N      -2.470737      5.177407      5.198719
  H      -0.740871      0.586716      4.710303
  H      -1.996726      0.366222      5.938902
  H      -0.057174      2.705475      5.589875
  H      -0.164140      1.616925      6.997599
  H      -0.735575      6.199812      5.882267
  H      -0.424437      4.694029      5.007862
  H      -1.721253      4.938516      7.781127
  H      -0.084472      4.288537      7.480785
  H      -4.355237      2.551084      8.896213
  H      -3.729627      4.163135      8.505901
  H      -2.500269      1.435865      7.841512
  H      -1.795523      2.682802      8.908762
  C      -2.835628      1.056531      3.298712
  C      -3.782305     -0.124354      3.623395
  C      -5.268258      0.163573      3.319948
  C      -5.556013      0.236615      1.846911
  N      -5.721494      1.447491      1.307375
  C      -5.943342      1.511364     -0.029427
  N      -6.023678      0.513331     -0.889792
  C      -5.874461     -0.741745     -0.361908
  C      -5.965228     -1.865033     -1.218177
  C      -5.828694     -3.142918     -0.707763
  C      -5.602897     -3.343225      0.671654
  C      -5.507741     -2.263662      1.530339
  C      -5.635320     -0.939641      1.036219
  C      -3.243127      6.367020      5.590844
  C      -3.272680      7.473720      4.524861
  C      -4.326170      7.192112      3.455452
  C      -5.746079      7.273424      3.962878
  N      -5.972481      7.942661      5.092742
  C      -7.244755      7.979281      5.557525
  N      -8.317760      7.416420      5.030385
  C      -8.118183      6.734490      3.860213
  C      -9.221579      6.109214      3.229524
  C      -9.041401      5.408162      2.053035
  C      -7.760681      5.303367      1.467563
  C      -6.667147      5.907648      2.059491
  C      -6.818632      6.635291      3.266748
  C      -5.926958      2.948018      6.858802
  C      -6.647263      4.295766      6.693202
  C      -8.167918      4.179956      6.621272
  C      -8.730063      3.504688      5.394674
  N      -7.898802      3.067855      4.452376
  C      -8.430041      2.463457      3.358747
  N      -9.705221      2.227259      3.110606
  C     -10.589120      2.677192      4.054101
  C     -11.976865      2.490645      3.843466
  C     -12.891411      2.954640      4.771396
  C     -12.455574      3.617010      5.939259
  C     -11.104838      3.808187      6.172309
  C     -10.144993      3.343172      5.239939
  H      -1.921736      0.661422      2.816091
  H      -3.321274      1.723683      2.573797
  H      -3.689881     -0.375255      4.691916
  H      -3.463686     -1.018708      3.066502
  H      -5.885759     -0.625210      3.777911
  H      -5.551329      1.120321      3.778267
  H      -6.071851      2.521247     -0.434942
  H      -6.148681     -1.686831     -2.278696
  H      -5.902241     -4.005498     -1.372447
  H      -5.506877     -4.358356      1.060473
  H      -5.340261     -2.428955      2.594855
  H      -4.278934      6.074485      5.819486
  H      -2.838349      6.773506      6.536514
  H      -2.279418      7.546750      4.054915
  H      -3.485663      8.437489      5.009143
  H      -4.221225      7.886782      2.602785
  H      -4.156222      6.184632      3.043612
  H      -7.389836      8.538139      6.488479
  H     -10.200505      6.193533      3.702935
  H      -9.889627      4.912926      1.578432
  H      -7.636316      4.732788      0.545598
  H      -5.684465      5.826892      1.594953
  H      -6.248249      2.470644      7.804251
  H      -6.248767      2.286372      6.041938
  H      -6.379572      4.961948      7.528728
  H      -6.275516      4.769992      5.773602
  H      -8.555110      3.652921      7.512046
  H      -8.606549      5.191797      6.668495
  H      -7.698884      2.140408      2.610522
  H     -12.291863      1.979988      2.932251
  H     -13.960071      2.811738      4.600633
  H     -13.189630      3.981875      6.659575
  H     -10.775510      4.327057      7.072790
  N      -4.865699      3.660633      3.922861
  H      -5.864160      3.464490      4.081720
  H      -4.726756      3.899127      2.939968
98
Coordinates from ORCA-job orca E -6204.345856213223
  N      -2.424339      1.836687      4.482403
  Mo     -3.394485      3.395625      5.239431
  N      -4.477635      3.057892      6.857683
  C      -3.804515      3.141471      8.149481
  C      -2.413021      2.531606      8.021910
  N      -1.728455      3.075796      6.823688
  C      -0.764252      2.112415      6.239731
  C      -1.500359      1.117864      5.358534
  C      -1.100817      4.401639      7.057350
  C      -1.107768      5.159165      5.727736
  N      -2.470429      5.163607      5.195946
  H      -0.758672      0.560682      4.754912
  H      -2.021437      0.362190      5.980326
  H      -0.065300      2.684446      5.615160
  H      -0.181909      1.608635      7.031940
  H      -0.733703      6.186795      5.874259
  H      -0.424030      4.673334      5.012044
  H      -1.723439      4.946404      7.782193
  H      -0.089014      4.286428      7.489107
  H      -4.366327      2.580692      8.918542
  H      -3.733032      4.186476      8.514268
  H      -2.517965      1.447436      7.872701
  H      -1.805933      2.698728      8.930035
  C      -2.819525      1.049645      3.311818
  C      -3.763766     -0.140058      3.607775
  C      -5.250484      0.160180      3.312907
  C      -5.535003      0.252398      1.840009
  N      -5.688206      1.471330      1.313707
  C      -5.900110      1.552939     -0.023634
  N      -5.981315      0.565629     -0.896380
  C      -5.846404     -0.696856     -0.381888
  C      -5.940097     -1.808747     -1.252119
  C      -5.817597     -3.094253     -0.756238
  C      -5.603640     -3.312665      0.622153
  C      -5.505509     -2.244276      1.494310
  C      -5.618440     -0.913566      1.015299
  C      -3.236445      6.364421      5.563481
  C      -3.270189      7.444818      4.472251
  C      -4.331463      7.138540      3.417196
  C      -5.747148      7.237037      3.931721
  N      -5.961004      7.919751      5.055930
  C      -7.231007      7.976424      5.525186
  N      -8.312825      7.421910      5.007372
  C      -8.125753      6.723780      3.844764
  C      -9.239285      6.106052      3.224429
  C      -9.071948      5.391202      2.054447
  C      -7.793902      5.262962      1.466215
  C      -6.690755      5.857480      2.049221
  C      -6.829537      6.600949      3.248509
  C      -5.937618      2.967488      6.881007
  C      -6.651435      4.317961      6.707836
  C      -8.172347      4.208453      6.636979
  C      -8.733714      3.525196      5.416193
  N      -7.900635      3.089992      4.474724
  C      -8.429812      2.474483      3.386928
  N      -9.703488      2.223634      3.145161
  C     -10.589608      2.675120      4.086393
  C     -11.975969      2.475874      3.880196
  C     -12.892317      2.942832      4.804833
  C     -12.459425      3.620705      5.964950
  C     -11.109921      3.823194      6.194152
  C     -10.148166      3.354806      5.265247
  H      -1.895205      0.664506      2.840685
  H      -3.298278      1.718876      2.583981
  H      -3.665614     -0.426299      4.666726
  H      -3.449989     -1.015474      3.018413
  H      -5.874436     -0.628330      3.761989
  H      -5.526822      1.115957      3.778001
  H      -6.017032      2.568441     -0.417949
  H      -6.114628     -1.615861     -2.311591
  H      -5.892880     -3.948221     -1.431788
  H      -5.519036     -4.333035      0.999711
  H      -5.347855     -2.424013      2.558072
  H      -4.271695      6.082129      5.806709
  H      -2.822006      6.789802      6.496296
  H      -2.280107      7.503007      3.994135
  H      -3.477959      8.421194      4.932916
  H      -4.230558      7.811786      2.547003
  H      -4.166827      6.120181      3.031059
  H      -7.365364      8.545969      6.451104
  H     -10.215975      6.208692      3.699486
  H      -9.928229      4.903367      1.587090
  H      -7.680123      4.683385      0.548514
  H      -5.710142      5.757625      1.584245
  H      -6.257945      2.500313      7.831639
  H      -6.264122      2.298398      6.072236
  H      -6.381874      4.986639      7.541061
  H      -6.277034      4.787411      5.786778
  H      -8.562999      3.691171      7.531682
  H      -8.606316      5.222925      6.674196
  H      -7.698738      2.153114      2.637882
  H     -12.288521      1.953847      2.974571
  H     -13.960055      2.790430      4.637341
  H     -13.194830      3.988291      6.682369
  H     -10.782951      4.354567      7.088172
  N      -4.870742      3.634612      3.935478
  H      -5.872584      3.466092      4.106084
  H      -4.731352      3.785497      2.934745
98
Coordinates from ORCA-job orca E -6204.346111316715
  N      -2.427642      1.824438      4.509666
  Mo     -3.397602      3.388673      5.257178
  N      -4.484411      3.069979      6.878115
  C      -3.811089      3.161559      8.169670
  C      -2.422608      2.544096      8.048139
  N      -1.735819      3.074521      6.844879
  C      -0.775778      2.100358      6.271553
  C      -1.516802      1.103293      5.396901
  C      -1.101828      4.399535      7.068030
  C      -1.106615      5.147337      5.732968
  N      -2.469176      5.152402      5.200073
  H      -0.776920      0.533686      4.802938
  H      -2.048174      0.359629      6.023972
  H      -0.071792      2.662419      5.643728
  H      -0.198992      1.599737      7.069802
  H      -0.729535      6.174806      5.872831
  H      -0.423380      4.654464      5.021286
  H      -1.721754      4.952422      7.789170
  H      -0.090488      4.282387      7.500601
  H      -4.375828      2.609832      8.943212
  H      -3.735152      4.209265      8.525622
  H      -2.533177      1.459307      7.908166
  H      -1.813677      2.715933      8.954120
  C      -2.802017      1.048991      3.325289
  C      -3.738695     -0.152534      3.591056
  C      -5.227969      0.154837      3.308916
  C      -5.513153      0.273892      1.837891
  N      -5.657700      1.502621      1.331583
  C      -5.868165      1.608230     -0.004280
  N      -5.956046      0.636075     -0.893301
  C      -5.830800     -0.635820     -0.399388
  C      -5.932237     -1.732018     -1.288195
  C      -5.818508     -3.026790     -0.814146
  C      -5.605603     -3.269701      0.560283
  C      -5.500283     -2.216782      1.450286
  C      -5.604598     -0.877570      0.993925
  C      -3.229351      6.364607      5.540643
  C      -3.270887      7.415106      4.421805
  C      -4.336019      7.079396      3.378646
  C      -5.750409      7.196420      3.892128
  N      -5.959641      7.900073      5.004237
  C      -7.229749      7.975992      5.470823
  N      -8.315933      7.422794      4.960892
  C      -8.133487      6.702453      3.811169
  C      -9.251826      6.084721      3.199366
  C      -9.089507      5.349718      2.041238
  C      -7.811421      5.199418      1.457536
  C      -6.703682      5.791357      2.033714
  C      -6.837677      6.556933      3.219579
  C      -5.945259      2.984423      6.905576
  C      -6.652958      4.336801      6.724530
  C      -8.174578      4.235468      6.652544
  C      -8.737481      3.540708      5.439937
  N      -7.904959      3.097904      4.501447
  C      -8.435139      2.467223      3.423168
  N      -9.708270      2.206805      3.189045
  C     -10.594198      2.668909      4.125795
  C     -11.980054      2.462022      3.925443
  C     -12.896040      2.940642      4.844510
  C     -12.462741      3.637938      5.992979
  C     -11.113512      3.847211      6.216771
  C     -10.152165      3.366775      5.293690
  H      -1.868686      0.678555      2.859571
  H      -3.278660      1.722767      2.600007
  H      -3.632353     -0.473930      4.638710
  H      -3.426258     -1.006071      2.969459
  H      -5.853924     -0.638657      3.745531
  H      -5.500735      1.105118      3.787913
  H      -5.976501      2.630946     -0.381797
  H      -6.105433     -1.519629     -2.344191
  H      -5.899350     -3.868694     -1.503961
  H      -5.527470     -4.296716      0.920921
  H      -5.343066     -2.416217      2.510714
  H      -4.263124      6.093238      5.802028
  H      -2.802762      6.812123      6.457270
  H      -2.283022      7.462052      3.938082
  H      -3.478627      8.403257      4.856499
  H      -4.234863      7.727462      2.489617
  H      -4.175392      6.048827      3.024076
  H      -7.360017      8.562507      6.386650
  H     -10.228445      6.204328      3.670917
  H      -9.949966      4.863434      1.579998
  H      -7.701484      4.605143      0.548879
  H      -5.722468      5.671913      1.574901
  H      -6.264329      2.525521      7.860509
  H      -6.275238      2.309249      6.103701
  H      -6.382572      5.008159      7.555379
  H      -6.274407      4.801490      5.802807
  H      -8.570211      3.732426      7.553008
  H      -8.601410      5.253559      6.675387
  H      -7.706365      2.138449      2.675209
  H     -12.292527      1.925410      3.028333
  H     -13.963589      2.782638      4.681586
  H     -13.197819      4.015070      6.705678
  H     -10.786639      4.394207      7.101402
  N      -4.874272      3.605300      3.951483
  H      -5.878467      3.465184      4.135879
  H      -4.742060      3.666024      2.939554
98
Coordinates from ORCA-job orca E -6204.346451384653
  N      -2.424043      1.784681      4.574234
  Mo     -3.403305      3.358731      5.288146
  N      -4.493801      3.088002      6.918055
  C      -3.823651      3.215839      8.207157
  C      -2.437946      2.590085      8.106568
  N      -1.746166      3.082649      6.890623
  C      -0.787761      2.090426      6.346475
  C      -1.526664      1.077144      5.487223
  C      -1.109597      4.411806      7.077919
  C      -1.109565      5.123363      5.722962
  N      -2.470803      5.113407      5.187947
  H      -0.785278      0.488746      4.913504
  H      -2.068967      0.351325      6.126213
  H      -0.077499      2.634894      5.709958
  H      -0.217625      1.606248      7.159538
  H      -0.733613      6.154277      5.836381
  H      -0.424502      4.612066      5.026331
  H      -1.729710      4.986612      7.781592
  H      -0.099248      4.305077      7.515364
  H      -4.391545      2.690402      8.996520
  H      -3.743829      4.273505      8.532039
  H      -2.551885      1.501940      7.998415
  H      -1.831706      2.786196      9.009586
  C      -2.762371      1.006781      3.381387
  C      -3.724756     -0.179379      3.608257
  C      -5.201850      0.168069      3.321318
  C      -5.469681      0.363187      1.855515
  N      -5.569406      1.619657      1.405820
  C      -5.762714      1.791571      0.074694
  N      -5.873630      0.864388     -0.859379
  C      -5.789123     -0.432111     -0.425628
  C      -5.911039     -1.483054     -1.365185
  C      -5.835398     -2.800802     -0.950552
  C      -5.642422     -3.112758      0.412415
  C      -5.518243     -2.105582      1.351833
  C      -5.583288     -0.744295      0.957205
  C      -3.227235      6.342533      5.470105
  C      -3.265247      7.335926      4.299740
  C      -4.334771      6.950545      3.280086
  C      -5.746704      7.095941      3.792360
  N      -5.949858      7.845545      4.874758
  C      -7.219197      7.948743      5.339194
  N      -8.309354      7.384362      4.851755
  C      -8.133263      6.617039      3.731554
  C      -9.257239      5.987187      3.143634
  C      -9.100771      5.205626      2.015791
  C      -7.823687      5.017480      1.441354
  C      -6.710014      5.621317      1.994013
  C      -6.838511      6.436412      3.146888
  C      -5.954048      3.015894      6.944301
  C      -6.652374      4.367889      6.723252
  C      -8.175300      4.274087      6.671431
  C      -8.754138      3.537012      5.489765
  N      -7.931927      3.051313      4.565035
  C      -8.471226      2.379138      3.517390
  N      -9.747602      2.122315      3.298147
  C     -10.623768      2.630011      4.219063
  C     -12.013237      2.431202      4.032386
  C     -12.919058      2.953634      4.936914
  C     -12.473689      3.687870      6.057736
  C     -11.121475      3.891136      6.267910
  C     -10.169770      3.367346      5.358086
  H      -1.818591      0.621262      2.950424
  H      -3.200974      1.684182      2.635625
  H      -3.637464     -0.530533      4.649066
  H      -3.417979     -1.022308      2.969527
  H      -5.846350     -0.632421      3.716776
  H      -5.459238      1.098738      3.843503
  H      -5.837552      2.833212     -0.256203
  H      -6.067827     -1.218306     -2.411692
  H      -5.931838     -3.607709     -1.679440
  H      -5.594472     -4.157070      0.724567
  H      -5.376110     -2.356307      2.403061
  H      -4.261823      6.085157      5.742694
  H      -2.801715      6.833510      6.364470
  H      -2.278655      7.349522      3.810810
  H      -3.463676      8.347074      4.683549
  H      -4.237704      7.549291      2.356784
  H      -4.179248      5.902272      2.976950
  H      -7.344070      8.572363      6.230834
  H     -10.232693      6.134202      3.609321
  H      -9.964790      4.708710      1.573248
  H      -7.718837      4.382767      0.559484
  H      -5.729098      5.472688      1.542635
  H      -6.279793      2.589490      7.912740
  H      -6.290943      2.323594      6.159830
  H      -6.365960      5.066347      7.526491
  H      -6.281466      4.797248      5.781315
  H      -8.563688      3.804159      7.592451
  H      -8.597337      5.293731      6.664549
  H      -7.744908      2.019593      2.781571
  H     -12.336158      1.864964      3.157500
  H     -13.989142      2.801649      4.784009
  H     -13.201531      4.098226      6.759417
  H     -10.783616      4.465336      7.130820
  N      -4.885883      3.510200      3.974478
  H      -5.887452      3.385355      4.175876
  H      -4.758796      3.468977      2.961324
98
Coordinates from ORCA-job orca E -6204.346736435848
  N      -2.436908      1.752804      4.617871
  Mo     -3.411146      3.341457      5.307143
  N      -4.500246      3.111466      6.945218
  C      -3.825268      3.263697      8.229461
  C      -2.445292      2.624607      8.139782
  N      -1.753949      3.083239      6.910091
  C      -0.805776      2.068986      6.387141
  C      -1.556591      1.046973      5.547529
  C      -1.103135      4.409948      7.068300
  C      -1.107864      5.097749      5.701178
  N      -2.472676      5.088574      5.174679
  H      -0.822370      0.435428      4.989398
  H      -2.113652      0.344669      6.199835
  H      -0.090204      2.592553      5.739123
  H      -0.241058      1.596436      7.210732
  H      -0.723537      6.127664      5.794197
  H      -0.430895      4.569377      5.009170
  H      -1.712099      5.003082      7.766585
  H      -0.090761      4.300923      7.500333
  H      -4.395189      2.761528      9.032364
  H      -3.736363      4.327992      8.529253
  H      -2.569266      1.535364      8.057220
  H      -1.833260      2.836260      9.035255
  C      -2.767524      0.981945      3.419859
  C      -3.738052     -0.199120      3.627630
  C      -5.206698      0.168018      3.319234
  C      -5.439034      0.412329      1.854755
  N      -5.504000      1.684732      1.442985
  C      -5.663317      1.901798      0.114029
  N      -5.771160      1.006464     -0.851176
  C      -5.720880     -0.304500     -0.457091
  C      -5.840004     -1.322731     -1.432177
  C      -5.796565     -2.654167     -1.058166
  C      -5.639138     -3.012331      0.297955
  C      -5.518902     -2.037625      1.271739
  C      -5.552288     -0.663797      0.919410
  C      -3.218819      6.330719      5.426246
  C      -3.268067      7.284635      4.225081
  C      -4.339121      6.862252      3.220475
  C      -5.750997      7.026940      3.727038
  N      -5.953413      7.808882      4.786574
  C      -7.223448      7.931965      5.244330
  N      -8.315238      7.359526      4.770347
  C      -8.140098      6.558878      3.673439
  C      -9.265926      5.919161      3.099999
  C      -9.111018      5.106769      1.993834
  C      -7.833429      4.895927      1.428424
  C      -6.717616      5.506593      1.969022
  C      -6.844768      6.354480      3.098189
  C      -5.960942      3.044845      6.981706
  C      -6.653052      4.395615      6.738949
  C      -8.177292      4.312133      6.691855
  C      -8.766192      3.547416      5.533022
  N      -7.951663      3.034443      4.616477
  C      -8.499835      2.333622      3.592778
  N      -9.778089      2.073422      3.389617
  C     -10.646971      2.611260      4.300435
  C     -12.038052      2.411645      4.128047
  C     -12.936465      2.964648      5.021696
  C     -12.481576      3.731024      6.116997
  C     -11.127507      3.935158      6.313310
  C     -10.183236      3.380294      5.414404
  H      -1.823308      0.595835      2.989618
  H      -3.198633      1.666510      2.676318
  H      -3.669096     -0.558098      4.667009
  H      -3.427126     -1.038990      2.986726
  H      -5.868902     -0.634647      3.678628
  H      -5.465040      1.088322      3.859156
  H      -5.709870      2.954383     -0.185504
  H      -5.968328     -1.022038     -2.472837
  H      -5.890403     -3.435910     -1.814274
  H      -5.615558     -4.066545      0.577848
  H      -5.403383     -2.324512      2.317019
  H      -4.251090      6.090502      5.723189
  H      -2.774345      6.846378      6.296941
  H      -2.283289      7.287730      3.732127
  H      -3.470825      8.306574      4.576618
  H      -4.240979      7.429640      2.277854
  H      -4.185823      5.802786      2.955462
  H      -7.347494      8.582365      6.116770
  H     -10.241763      6.084011      3.558900
  H      -9.977028      4.603717      1.562121
  H      -7.729287      4.237748      0.563885
  H      -5.735418      5.337531      1.527742
  H      -6.281246      2.638790      7.960710
  H      -6.305171      2.338621      6.213516
  H      -6.362578      5.105979      7.530313
  H      -6.280396      4.809233      5.790719
  H      -8.568083      3.872884      7.626711
  H      -8.588906      5.335426      6.656197
  H      -7.780842      1.950083      2.862113
  H     -12.367966      1.820619      3.272367
  H     -14.008015      2.812277      4.879901
  H     -13.203696      4.165634      6.809868
  H     -10.782768      4.534748      7.156039
  N      -4.900467      3.444895      3.997515
  H      -5.901428      3.354656      4.220538
  H      -4.797024      3.298587      2.990515
98
Coordinates from ORCA-job orca E -6204.347069254131
  N      -2.449768      1.723431      4.664567
  Mo     -3.419303      3.327814      5.326325
  N      -4.509590      3.142118      6.970321
  C      -3.833538      3.320791      8.250430
  C      -2.459978      2.667066      8.176729
  N      -1.765115      3.087618      6.935371
  C      -0.828381      2.049760      6.437790
  C      -1.589918      1.020820      5.615303
  C      -1.098385      4.410046      7.062670
  C      -1.102444      5.069786      5.681869
  N      -2.469618      5.063347      5.161383
  H      -0.861788      0.385708      5.075932
  H      -2.163563      0.342400      6.278489
  H      -0.104205      2.550154      5.781002
  H      -0.272535      1.588239      7.273562
  H      -0.707676      6.097509      5.752500
  H      -0.433428      4.520904      4.997985
  H      -1.696860      5.024768      7.751393
  H      -0.085239      4.298358      7.492073
  H      -4.407816      2.844303      9.065830
  H      -3.735213      4.391490      8.523516
  H      -2.594527      1.577322      8.121953
  H      -1.845239      2.895465      9.066196
  C      -2.753385      0.957467      3.457571
  C      -3.738604     -0.216113      3.631067
  C      -5.196667      0.173248      3.303235
  C      -5.397007      0.458057      1.841404
  N      -5.412684      1.741778      1.457916
  C      -5.539707      1.993154      0.131703
  N      -5.659891      1.123638     -0.855635
  C      -5.657341     -0.196913     -0.491623
  C      -5.788810     -1.188765     -1.491903
  C      -5.789859     -2.529095     -1.148014
  C      -5.665733     -2.922423      0.201638
  C      -5.535133     -1.974013      1.199937
  C      -5.524167     -0.592180      0.879028
  C      -3.200598      6.321769      5.373827
  C      -3.260613      7.226422      4.136251
  C      -4.345536      6.769221      3.162158
  C      -5.750753      6.966665      3.675177
  N      -5.935789      7.780703      4.713420
  C      -7.201094      7.933140      5.175994
  N      -8.303400      7.362904      4.724880
  C      -8.146332      6.530192      3.649083
  C      -9.284707      5.892625      3.098875
  C      -9.148182      5.050872      2.012437
  C      -7.877134      4.805538      1.446543
  C      -6.748790      5.411151      1.966606
  C      -6.857519      6.291223      3.072711
  C      -5.969999      3.079881      7.009945
  C      -6.659522      4.427212      6.742989
  C      -8.184303      4.346172      6.701283
  C      -8.776457      3.553498      5.562260
  N      -7.963878      3.023316      4.654387
  C      -8.512147      2.293331      3.651696
  N      -9.789652      2.021401      3.460423
  C     -10.657281      2.578776      4.360419
  C     -12.048290      2.369620      4.198087
  C     -12.945381      2.941521      5.080886
  C     -12.489669      3.736674      6.155283
  C     -11.135816      3.950608      6.341815
  C     -10.192760      3.377347      5.453237
  H      -1.801762      0.565918      3.048884
  H      -3.158295      1.647980      2.704762
  H      -3.692398     -0.592329      4.665869
  H      -3.422392     -1.048433      2.982772
  H      -5.875067     -0.629137      3.631279
  H      -5.452825      1.082978      3.860935
  H      -5.544741      3.052965     -0.144802
  H      -5.889647     -0.860980     -2.527343
  H      -5.892743     -3.290534     -1.923495
  H      -5.676147     -3.982920      0.457214
  H      -5.444655     -2.287712      2.239861
  H      -4.230271      6.104901      5.697426
  H      -2.735604      6.866898      6.215098
  H      -2.281773      7.205339      3.631852
  H      -3.455040      8.262460      4.449318
  H      -4.252912      7.294484      2.195068
  H      -4.205463      5.697109      2.942176
  H      -7.310482      8.608918      6.030921
  H     -10.255240      6.083449      3.558878
  H     -10.024011      4.550385      1.597901
  H      -7.787734      4.123590      0.598896
  H      -5.770809      5.213329      1.527709
  H      -6.289980      2.693862      7.997436
  H      -6.317257      2.360951      6.255400
  H      -6.365567      5.151734      7.520362
  H      -6.288504      4.823862      5.786836
  H      -8.573767      3.930785      7.647363
  H      -8.593817      5.368964      6.641985
  H      -7.793681      1.895777      2.928023
  H     -12.379005      1.756260      3.358613
  H     -14.016895      2.781844      4.946787
  H     -13.211085      4.185690      6.839633
  H     -10.790301      4.572195      7.168116
  N      -4.915635      3.384986      4.019827
  H      -5.915301      3.336566      4.260136
  H      -4.833948      3.138787      3.029584
98
Coordinates from ORCA-job orca E -6204.347464812094
  N      -2.467489      1.707733      4.701118
  Mo     -3.429123      3.325432      5.347636
  N      -4.520389      3.173837      6.994809
  C      -3.841860      3.363583      8.272401
  C      -2.475273      2.695018      8.207374
  N      -1.778275      3.088812      6.958059
  C      -0.853340      2.031546      6.478140
  C      -1.626725      1.002446      5.666085
  C      -1.094969      4.404988      7.066828
  C      -1.098124      5.048309      5.678721
  N      -2.467218      5.051449      5.162641
  H      -0.905072      0.349420      5.139883
  H      -2.214824      0.342810      6.335372
  H      -0.120346      2.512861      5.816921
  H      -0.307028      1.575147      7.322879
  H      -0.690545      6.072007      5.735135
  H      -0.437784      4.483024      4.999378
  H      -1.682927      5.034694      7.751150
  H      -0.081481      4.285687      7.493228
  H      -4.420514      2.903680      9.094292
  H      -3.733739      4.436923      8.530900
  H      -2.621731      1.606105      8.169542
  H      -1.855714      2.930501      9.091503
  C      -2.738891      0.955993      3.478955
  C      -3.714783     -0.230990      3.612714
  C      -5.175332      0.152529      3.286216
  C      -5.367954      0.473803      1.830858
  N      -5.365049      1.766165      1.476132
  C      -5.487220      2.050087      0.156100
  N      -5.620304      1.205098     -0.850602
  C      -5.634832     -0.123667     -0.516960
  C      -5.778130     -1.090383     -1.539900
  C      -5.793028     -2.438381     -1.227353
  C      -5.670630     -2.864313      0.112510
  C      -5.530080     -1.940645      1.132626
  C      -5.506172     -0.551994      0.844107
  C      -3.180732      6.325163      5.341468
  C      -3.251706      7.186470      4.074658
  C      -4.342633      6.697637      3.121788
  C      -5.745513      6.923129      3.629280
  N      -5.923993      7.764322      4.646853
  C      -7.188125      7.938132      5.105423
  N      -8.295189      7.366345      4.668263
  C      -8.144976      6.507074      3.612377
  C      -9.288465      5.866696      3.076281
  C      -9.158892      5.000186      2.008486
  C      -7.889772      4.731144      1.449203
  C      -6.756378      5.336514      1.958097
  C      -6.858181      6.243006      3.043225
  C      -5.981174      3.114239      7.040150
  C      -6.668790      4.459010      6.758199
  C      -8.194326      4.381736      6.714742
  C      -8.786358      3.568931      5.589740
  N      -7.973670      3.030250      4.687149
  C      -8.520361      2.277711      3.700426
  N      -9.796119      1.991266      3.520163
  C     -10.664590      2.559395      4.412915
  C     -12.054390      2.335900      4.260373
  C     -12.952484      2.918284      5.135239
  C     -12.498622      3.738522      6.191495
  C     -11.145830      3.966288      6.368652
  C     -10.201886      3.382433      5.488270
  H      -1.775375      0.581045      3.082478
  H      -3.133705      1.653571      2.727115
  H      -3.671182     -0.636658      4.636244
  H      -3.384629     -1.040362      2.942432
  H      -5.849679     -0.662472      3.589255
  H      -5.441758      1.045641      3.865198
  H      -5.474812      3.115913     -0.096293
  H      -5.875617     -0.737285     -2.567336
  H      -5.904391     -3.180428     -2.020266
  H      -5.690221     -3.930329      0.343667
  H      -5.439581     -2.280372      2.164391
  H      -4.207222      6.134319      5.691354
  H      -2.691990      6.893165      6.153536
  H      -2.276172      7.151788      3.564699
  H      -3.446918      8.231554      4.355529
  H      -4.248201      7.185761      2.135850
  H      -4.212313      5.615876      2.945122
  H      -7.292017      8.635435      5.943689
  H     -10.257526      6.075967      3.531509
  H     -10.039286      4.499264      1.604028
  H      -7.805611      4.030515      0.616447
  H      -5.778999      5.117599      1.528087
  H      -6.298048      2.741362      8.033633
  H      -6.330944      2.385914      6.296594
  H      -6.375564      5.190574      7.529111
  H      -6.295779      4.847838      5.799654
  H      -8.586746      3.986752      7.668268
  H      -8.599853      5.404688      6.634036
  H      -7.803328      1.871936      2.979930
  H     -12.383313      1.703588      3.434363
  H     -14.023226      2.747713      5.009005
  H     -13.221037      4.195895      6.869245
  H     -10.802384      4.607512      7.180748
  N      -4.931196      3.353272      4.046320
  H      -5.929923      3.352755      4.297204
  H      -4.874871      3.031365      3.074301
98
Coordinates from ORCA-job orca E -6204.348040889966
  N      -2.472419      1.711835      4.713404
  Mo     -3.431003      3.334946      5.359923
  N      -4.529408      3.194355      7.002995
  C      -3.853379      3.377160      8.283554
  C      -2.491117      2.699601      8.222719
  N      -1.788922      3.087280      6.974022
  C      -0.869495      2.021500      6.501488
  C      -1.647969      0.998816      5.685839
  C      -1.095075      4.398238      7.084823
  C      -1.093259      5.042567      5.697820
  N      -2.461890      5.058283      5.179944
  H      -0.927915      0.338651      5.166863
  H      -2.247260      0.346615      6.352307
  H      -0.127526      2.494850      5.844550
  H      -0.333847      1.562268      7.351476
  H      -0.675657      6.062381      5.755038
  H      -0.436939      4.471304      5.019199
  H      -1.678169      5.031273      7.770189
  H      -0.082750      4.269684      7.511096
  H      -4.437953      2.918828      9.102208
  H      -3.740293      4.449295      8.544475
  H      -2.645101      1.611700      8.185473
  H      -1.870860      2.931719      9.107062
  C      -2.703999      0.980956      3.472144
  C      -3.647835     -0.236271      3.566471
  C      -5.122669      0.115944      3.266015
  C      -5.339562      0.446593      1.816237
  N      -5.334510      1.739651      1.466102
  C      -5.481264      2.031373      0.150257
  N      -5.642591      1.192007     -0.856685
  C      -5.658045     -0.138440     -0.528359
  C      -5.828642     -1.099326     -1.552591
  C      -5.840834     -2.448879     -1.246716
  C      -5.687014     -2.882054      0.087728
  C      -5.521141     -1.963689      1.109051
  C      -5.501569     -0.573675      0.827395
  C      -3.160641      6.343113      5.338972
  C      -3.245928      7.177471      4.055879
  C      -4.345083      6.671394      3.120000
  C      -5.744455      6.922184      3.625876
  N      -5.912439      7.776957      4.633959
  C      -7.173892      7.969643      5.092330
  N      -8.288205      7.405904      4.663146
  C      -8.149185      6.534846      3.615373
  C      -9.300624      5.902617      3.086404
  C      -9.182984      5.026900      2.024676
  C      -7.917940      4.739424      1.465726
  C      -6.776826      5.333029      1.970824
  C      -6.866417      6.249950      3.048093
  C      -5.990709      3.131857      7.048971
  C      -6.678438      4.476020      6.767813
  C      -8.204497      4.400512      6.713698
  C      -8.789401      3.583626      5.588061
  N      -7.971275      3.051895      4.686337
  C      -8.510387      2.290513      3.701928
  N      -9.782622      1.988184      3.524060
  C     -10.657266      2.551235      4.414576
  C     -12.044202      2.310743      4.263595
  C     -12.948763      2.887821      5.135396
  C     -12.503537      3.719527      6.186433
  C     -11.153422      3.963152      6.362343
  C     -10.203329      3.384589      5.485719
  H      -1.724073      0.640967      3.084015
  H      -3.103091      1.683383      2.726859
  H      -3.583247     -0.679336      4.572715
  H      -3.300573     -1.009421      2.862686
  H      -5.774881     -0.716866      3.567000
  H      -5.402004      0.996285      3.859267
  H      -5.463133      3.098177     -0.097933
  H      -5.947763     -0.740262     -2.575745
  H      -5.972676     -3.186433     -2.040595
  H      -5.702396     -3.949264      0.314363
  H      -5.404878     -2.310365      2.136045
  H      -4.182652      6.174251      5.713099
  H      -2.648034      6.923605      6.127233
  H      -2.274605      7.139161      3.538313
  H      -3.443871      8.226254      4.320466
  H      -4.248477      7.134511      2.122467
  H      -4.227946      5.583225      2.973904
  H      -7.268936      8.677382      5.923077
  H     -10.266508      6.126754      3.541439
  H     -10.070340      4.534401      1.624569
  H      -7.843172      4.033413      0.636936
  H      -5.801880      5.096862      1.544995
  H      -6.306328      2.758052      8.042279
  H      -6.338014      2.402249      6.306294
  H      -6.391691      5.203771      7.544307
  H      -6.299402      4.871434      5.814590
  H      -8.603942      4.011733      7.666933
  H      -8.607579      5.423959      6.624272
  H      -7.791439      1.886864      2.982272
  H     -12.365785      1.670319      3.440948
  H     -14.017508      2.704344      5.010936
  H     -13.231157      4.173202      6.861179
  H     -10.817728      4.613848      7.170265
  N      -4.930283      3.354530      4.054741
  H      -5.929350      3.396863      4.302721
  H      -4.887781      3.001468      3.090844
98
Coordinates from ORCA-job orca E -6204.348425493009
  N      -2.464546      1.719867      4.718751
  Mo     -3.431197      3.338688      5.371594
  N      -4.538063      3.200346      7.009594
  C      -3.867497      3.373238      8.294631
  C      -2.506225      2.693449      8.236436
  N      -1.797803      3.085285      6.992613
  C      -0.875508      2.020725      6.523025
  C      -1.648976      1.003008      5.695978
  C      -1.104448      4.395876      7.111502
  C      -1.095193      5.043745      5.726739
  N      -2.461127      5.062262      5.201651
  H      -0.924527      0.344766      5.180993
  H      -2.253563      0.348279      6.355225
  H      -0.126521      2.495270      5.874827
  H      -0.348701      1.557533      7.376438
  H      -0.676173      6.062757      5.788615
  H      -0.435658      4.473025      5.050653
  H      -1.690953      5.026631      7.795864
  H      -0.094168      4.265649      7.541950
  H      -4.456599      2.909861      9.107224
  H      -3.754515      4.443341      8.563916
  H      -2.661785      1.605951      8.193287
  H      -1.889337      2.920407      9.124460
  C      -2.650590      1.007356      3.460372
  C      -3.565418     -0.234572      3.514170
  C      -5.054559      0.088746      3.256518
  C      -5.312751      0.429005      1.816012
  N      -5.314441      1.723114      1.471848
  C      -5.500878      2.023031      0.162961
  N      -5.697725      1.189813     -0.842508
  C      -5.704829     -0.142457     -0.521141
  C      -5.909480     -1.097285     -1.544898
  C      -5.910862     -2.448504     -1.246974
  C      -5.711326     -2.889737      0.078842
  C      -5.512963     -1.977339      1.099743
  C      -5.504877     -0.585472      0.826334
  C      -3.153142      6.353390      5.338117
  C      -3.241649      7.165141      4.040624
  C      -4.346315      6.647630      3.117357
  C      -5.743155      6.918955      3.619677
  N      -5.904192      7.784956      4.619315
  C      -7.163935      7.991436      5.076428
  N      -8.283051      7.433063      4.652730
  C      -8.151385      6.552531      3.611826
  C      -9.308125      5.926125      3.087468
  C      -9.198018      5.041517      2.032276
  C      -7.935561      4.738646      1.476309
  C      -6.789168      5.324781      1.978376
  C      -6.871066      6.251396      3.047877
  C      -5.999519      3.139623      7.050350
  C      -6.683760      4.484905      6.766048
  C      -8.210078      4.413481      6.706079
  C      -8.791420      3.593160      5.580838
  N      -7.969966      3.062577      4.681905
  C      -8.503944      2.294582      3.699586
  N      -9.774132      1.984516      3.521744
  C     -10.652516      2.547444      4.408679
  C     -12.038148      2.299174      4.257165
  C     -12.946575      2.875595      5.125202
  C     -12.506708      3.714468      6.172926
  C     -11.158120      3.965515      6.349471
  C     -10.204231      3.387684      5.476742
  H      -1.653756      0.696099      3.091366
  H      -3.045597      1.712669      2.715119
  H      -3.470707     -0.720687      4.497847
  H      -3.211179     -0.966177      2.770386
  H      -5.680079     -0.762621      3.561268
  H      -5.338414      0.953826      3.870189
  H      -5.485010      3.091097     -0.080165
  H      -6.062130     -0.732164     -2.561458
  H      -6.068849     -3.181213     -2.040466
  H      -5.717104     -3.958398      0.299345
  H      -5.360935     -2.330600      2.119810
  H      -4.173803      6.197668      5.721480
  H      -2.632560      6.946462      6.111682
  H      -2.272414      7.118233      3.519860
  H      -3.437430      8.218207      4.289811
  H      -4.247491      7.089291      2.110352
  H      -4.240567      5.555233      2.994429
  H      -7.253138      8.707251      5.901009
  H     -10.272030      6.162454      3.540413
  H     -10.089806      4.554427      1.635022
  H      -7.867066      4.025750      0.652972
  H      -5.815866      5.075218      1.556778
  H      -6.319926      2.767210      8.042596
  H      -6.344668      2.410361      6.306470
  H      -6.398149      5.211944      7.543382
  H      -6.301288      4.880389      5.814322
  H      -8.614191      4.029556      7.659350
  H      -8.610835      5.437432      6.610902
  H      -7.782022      1.889855      2.983444
  H     -12.355543      1.653515      3.437019
  H     -14.014259      2.686047      5.000581
  H     -13.237667      4.167672      6.844443
  H     -10.826644      4.621754      7.154661
  N      -4.926856      3.349466      4.059768
  H      -5.925644      3.422608      4.301093
  H      -4.888190      2.971980      3.104030
98
Coordinates from ORCA-job orca E -6204.348763298518
  N      -2.448298      1.738138      4.707348
  Mo     -3.426537      3.345970      5.377242
  N      -4.543379      3.194642      7.007745
  C      -3.879253      3.348047      8.298929
  C      -2.516878      2.670205      8.238551
  N      -1.802136      3.079958      7.004282
  C      -0.872353      2.024895      6.528248
  C      -1.636460      1.014853      5.682990
  C      -1.115072      4.391917      7.143118
  C      -1.099103      5.055121      5.766136
  N      -2.461581      5.074552      5.231834
  H      -0.905146      0.365112      5.167153
  H      -2.242635      0.350480      6.331023
  H      -0.119192      2.509423      5.892307
  H      -0.351614      1.552961      7.380686
  H      -0.683977      6.074793      5.842428
  H      -0.432291      4.494131      5.088905
  H      -1.708235      5.012256      7.831015
  H      -0.106792      4.260449      7.577847
  H      -4.472090      2.871380      9.101083
  H      -3.768977      4.413906      8.585615
  H      -2.670679      1.583218      8.179135
  H      -1.905066      2.885480      9.133020
  C      -2.597951      1.046987      3.432926
  C      -3.474152     -0.223152      3.455413
  C      -4.979364      0.059954      3.249040
  C      -5.289681      0.396166      1.818131
  N      -5.308433      1.688253      1.470347
  C      -5.541992      1.985339      0.168410
  N      -5.773290      1.149198     -0.826968
  C      -5.762633     -0.182263     -0.502489
  C      -5.999861     -1.140053     -1.516498
  C      -5.980752     -2.490590     -1.217093
  C      -5.726938     -2.928518      0.100671
  C      -5.497183     -2.013186      1.112233
  C      -5.510556     -0.621553      0.837435
  C      -3.152342      6.367728      5.354672
  C      -3.244001      7.168046      4.049986
  C      -4.351526      6.645262      3.133038
  C      -5.747227      6.929347      3.631155
  N      -5.905107      7.796606      4.630276
  C      -7.164452      8.010424      5.084983
  N      -8.286382      7.459233      4.659018
  C      -8.158048      6.578816      3.617566
  C      -9.317562      5.959986      3.090190
  C      -9.210899      5.075320      2.034633
  C      -7.949325      4.765213      1.481172
  C      -6.800275      5.343498      1.986446
  C      -6.878550      6.269631      3.056613
  C      -6.005169      3.133905      7.041973
  C      -6.685921      4.481916      6.761892
  C      -8.212522      4.416237      6.694504
  C      -8.792530      3.602430      5.564053
  N      -7.969911      3.076197      4.664085
  C      -8.502388      2.311516      3.677837
  N      -9.771922      2.001027      3.497634
  C     -10.651643      2.560684      4.385325
  C     -12.036973      2.312018      4.231111
  C     -12.946814      2.885025      5.099674
  C     -12.508672      3.720811      6.150763
  C     -11.160603      3.971799      6.330032
  C     -10.205319      3.397269      5.456850
  H      -1.587687      0.770277      3.072170
  H      -3.002392      1.753906      2.693759
  H      -3.337770     -0.745989      4.414912
  H      -3.117260     -0.912014      2.672824
  H      -5.570509     -0.810530      3.566940
  H      -5.268048      0.912957      3.878059
  H      -5.536829      3.052802     -0.077579
  H      -6.192817     -0.777517     -2.527155
  H      -6.163716     -3.225448     -2.003070
  H      -5.715476     -3.996934      0.322438
  H      -5.302868     -2.364441      2.125875
  H      -4.171960      6.217875      5.743022
  H      -2.628265      6.968484      6.119928
  H      -2.276031      7.118502      3.527193
  H      -3.439787      8.222856      4.292232
  H      -4.249880      7.074591      2.120887
  H      -4.253812      5.550559      3.023359
  H      -7.250945      8.726396      5.909809
  H     -10.280872      6.202609      3.541028
  H     -10.105128      4.594717      1.634638
  H      -7.883892      4.052731      0.657368
  H      -5.827508      5.087447      1.567931
  H      -6.330672      2.756731      8.030648
  H      -6.347071      2.408772      6.292558
  H      -6.402376      5.203567      7.544730
  H      -6.298521      4.882833      5.814415
  H      -8.622469      4.030929      7.644757
  H      -8.609116      5.442154      6.600778
  H      -7.779754      1.906949      2.962188
  H     -12.352883      1.668981      3.408344
  H     -14.014221      2.695164      4.973163
  H     -13.240949      4.171533      6.822543
  H     -10.830574      4.625755      7.137690
  N      -4.915216      3.356949      4.055810
  H      -5.914093      3.449171      4.289527
  H      -4.875494      2.968028      3.104068
98
Coordinates from ORCA-job orca E -6204.349001332426
  N      -2.429982      1.752096      4.699699
  Mo     -3.422562      3.347528      5.384352
  N      -4.548022      3.186226      7.008855
  C      -3.889662      3.323868      8.304888
  C      -2.525830      2.648536      8.242905
  N      -1.805406      3.074896      7.017916
  C      -0.866829      2.030447      6.536243
  C      -1.620149      1.025543      5.674870
  C      -1.127485      4.389572      7.173856
  C      -1.106034      5.065602      5.803442
  N      -2.464965      5.080771      5.259874
  H      -0.881802      0.383605      5.159389
  H      -2.226981      0.352281      6.313092
  H      -0.111145      2.525441      5.911329
  H      -0.350222      1.551674      7.387507
  H      -0.698365      6.087216      5.892392
  H      -0.430117      4.515308      5.126357
  H      -1.728322      4.999948      7.863741
  H      -0.120899      4.259890      7.613075
  H      -4.485255      2.836339      9.098492
  H      -3.781865      4.386098      8.605899
  H      -2.677084      1.562082      8.168813
  H      -1.919437      2.853672      9.143568
  C      -2.546025      1.078522      3.412711
  C      -3.391479     -0.211769      3.408128
  C      -4.907407      0.037879      3.243614
  C      -5.259699      0.376633      1.823209
  N      -5.287102      1.668572      1.478029
  C      -5.558655      1.969896      0.184595
  N      -5.822040      1.136377     -0.804769
  C      -5.801683     -0.195717     -0.483906
  C      -6.069052     -1.150795     -1.493022
  C      -6.037727     -2.502050     -1.198853
  C      -5.741216     -2.943859      0.108738
  C      -5.482673     -2.031441      1.115744
  C      -5.508460     -0.638806      0.846496
  C      -3.156733      6.375115      5.361171
  C      -3.249272      7.156610      4.044387
  C      -4.359600      6.624243      3.136944
  C      -5.754016      6.922293      3.629425
  N      -5.908877      7.792835      4.626208
  C      -7.167995      8.015233      5.077454
  N      -8.292559      7.470792      4.649569
  C      -8.167381      6.588175      3.609516
  C      -9.329669      5.976745      3.079613
  C      -9.225947      5.088662      2.026605
  C      -7.964969      4.768113      1.478064
  C      -6.813242      5.339960      1.985079
  C      -6.888441      6.268993      3.053044
  C      -6.009972      3.127627      7.036335
  C      -6.686132      4.478660      6.757727
  C      -8.213028      4.419911      6.688260
  C      -8.796502      3.611418      5.555963
  N      -7.976537      3.085386      4.654149
  C      -8.512357      2.325080      3.665768
  N      -9.782800      2.019569      3.485523
  C     -10.659829      2.579586      4.375320
  C     -12.046329      2.336563      4.220871
  C     -12.953409      2.909592      5.091795
  C     -12.511721      3.739907      6.145971
  C     -11.162871      3.985344      6.325315
  C     -10.210140      3.410764      5.449299
  H      -1.524863      0.827214      3.063322
  H      -2.954213      1.786171      2.675859
  H      -3.220788     -0.762967      4.346116
  H      -3.034915     -0.864843      2.595003
  H      -5.468726     -0.849768      3.567266
  H      -5.199756      0.877058      3.890033
  H      -5.558190      3.037877     -0.058928
  H      -6.293745     -0.785584     -2.496144
  H      -6.243684     -3.234625     -1.981138
  H      -5.719406     -4.013046      0.326074
  H      -5.255370     -2.385656      2.121476
  H      -4.176128      6.230450      5.751910
  H      -2.633364      6.988615      6.116648
  H      -2.282425      7.097628      3.520559
  H      -3.441840      8.215382      4.272321
  H      -4.256462      7.035027      2.117115
  H      -4.268776      5.527114      3.045189
  H      -7.251875      8.732676      5.901280
  H     -10.292595      6.227808      3.526578
  H     -10.122338      4.613676      1.624575
  H      -7.902380      4.052198      0.657037
  H      -5.841019      5.076213      1.570208
  H      -6.341628      2.748393      8.022166
  H      -6.349920      2.405985      6.282418
  H      -6.400891      5.197642      7.542333
  H      -6.296530      4.880662      5.811496
  H      -8.625862      4.034386      7.637155
  H      -8.605128      5.447858      6.596172
  H      -7.791491      1.918384      2.949351
  H     -12.365073      1.697620      3.396039
  H     -14.021573      2.723984      4.965157
  H     -13.242122      4.190513      6.819862
  H     -10.829804      4.634681      7.135400
  N      -4.906465      3.352018      4.055632
  H      -5.903996      3.466686      4.283533
  H      -4.868158      2.943083      3.111743
98
Coordinates from ORCA-job orca E -6204.349211903993
  N      -2.402007      1.774880      4.678640
  Mo     -3.414725      3.349802      5.387449
  N      -4.548537      3.163281      7.004191
  C      -3.895973      3.275945      8.305699
  C      -2.527680      2.609591      8.236041
  N      -1.803067      3.067716      7.025534
  C      -0.849103      2.044720      6.529106
  C      -1.585327      1.045696      5.646208
  C      -1.143271      4.387618      7.209985
  C      -1.119091      5.087905      5.852020
  N      -2.473564      5.093790      5.297225
  H      -0.836365      0.420391      5.125572
  H      -2.186217      0.354651      6.271091
  H      -0.095972      2.560565      5.918095
  H      -0.331431      1.556169      7.374330
  H      -0.726703      6.113288      5.962814
  H      -0.429131      4.558923      5.172031
  H      -1.756204      4.978367      7.905929
  H      -0.138038      4.262580      7.653761
  H      -4.492036      2.768638      9.086526
  H      -3.794386      4.331990      8.630015
  H      -2.671485      1.524167      8.136353
  H      -1.928233      2.798124      9.145156
  C      -2.497263      1.117674      3.381376
  C      -3.309707     -0.193057      3.363608
  C      -4.835434      0.018526      3.241540
  C      -5.232884      0.348827      1.831168
  N      -5.273033      1.638154      1.481020
  C      -5.586053      1.935559      0.196208
  N      -5.880982      1.097984     -0.780456
  C      -5.847804     -0.232598     -0.455171
  C      -6.145837     -1.191562     -1.452041
  C      -6.100403     -2.541608     -1.155427
  C      -5.758917     -2.978863      0.142822
  C      -5.470758     -2.062917      1.138128
  C      -5.510466     -0.671015      0.866461
  C      -3.173930      6.384333      5.384233
  C      -3.262360      7.159906      4.062405
  C      -4.368859      6.625182      3.152516
  C      -5.765542      6.925326      3.635213
  N      -5.926680      7.786918      4.638899
  C      -7.188831      8.006155      5.083026
  N      -8.311004      7.466664      4.642280
  C      -8.179234      6.593979      3.594645
  C      -9.338089      5.987615      3.051474
  C      -9.227238      5.106905      1.992953
  C      -7.962688      4.790539      1.450303
  C      -6.814309      5.359506      1.968519
  C      -6.896700      6.279168      3.044142
  C      -6.010655      3.106290      7.024436
  C      -6.681843      4.462272      6.756342
  C      -8.208933      4.412148      6.685952
  C      -8.798906      3.618994      5.546787
  N      -7.984532      3.096673      4.638545
  C      -8.528577      2.352347      3.641556
  N      -9.801558      2.060761      3.459135
  C     -10.672512      2.616905      4.356882
  C     -12.061425      2.387694      4.201067
  C     -12.962280      2.956921      5.080206
  C     -12.512225      3.769775      6.144739
  C     -11.161422      4.001553      6.325087
  C     -10.214609      3.430422      5.440284
  H      -1.469440      0.892543      3.032621
  H      -2.920059      1.823571      2.650984
  H      -3.101498     -0.760203      4.284386
  H      -2.957258     -0.818607      2.527129
  H      -5.363683     -0.884714      3.576707
  H      -5.132036      0.847264      3.900200
  H      -5.593810      3.002622     -0.050787
  H      -6.404526     -0.830116     -2.448327
  H      -6.329835     -3.276925     -1.928419
  H      -5.725588     -4.047422      0.361857
  H      -5.208985     -2.413653      2.136710
  H      -4.194810      6.235016      5.768831
  H      -2.660377      7.006510      6.139274
  H      -2.293674      7.098139      3.542381
  H      -3.454544      8.220014      4.285287
  H      -4.260735      7.029482      2.130400
  H      -4.279332      5.527279      3.065342
  H      -7.277979      8.715288      5.913451
  H     -10.303984      6.236159      3.493379
  H     -10.120933      4.635126      1.581157
  H      -7.894904      4.079462      0.625433
  H      -5.839539      5.100097      1.556823
  H      -6.348607      2.718144      8.004618
  H      -6.348308      2.393097      6.261082
  H      -6.393951      5.173672      7.546820
  H      -6.290374      4.870302      5.813354
  H      -8.623966      4.019555      7.630965
  H      -8.595520      5.443168      6.603531
  H      -7.812749      1.946694      2.919292
  H     -12.386619      1.762014      3.368634
  H     -14.032133      2.781983      4.952543
  H     -13.237968      4.217342      6.825613
  H     -10.821648      4.636799      7.143471
  N      -4.891796      3.356044      4.050083
  H      -5.888207      3.487152      4.271791
  H      -4.851065      2.938014      3.110216
98
Coordinates from ORCA-job orca E -6204.349699919588
  N      -2.372465      1.793178      4.666091
  Mo     -3.406842      3.347288      5.395201
  N      -4.548103      3.139499      7.005158
  C      -3.900931      3.232843      8.310652
  C      -2.527991      2.576209      8.235148
  N      -1.800112      3.062522      7.038230
  C      -0.830707      2.060664      6.530092
  C      -1.548803      1.064715      5.628670
  C      -1.160342      4.388240      7.246773
  C      -1.135200      5.109429      5.899696
  N      -2.485051      5.101932      5.333880
  H      -0.788515      0.455458      5.105200
  H      -2.142649      0.357145      6.241927
  H      -0.081497      2.596306      5.931492
  H      -0.310567      1.565027      7.369812
  H      -0.760665      6.139128      6.030123
  H      -0.430145      4.601883      5.218650
  H      -1.785859      4.960363      7.946803
  H      -0.156140      4.270523      7.695153
  H      -4.496575      2.709374      9.081228
  H      -3.805401      4.283821      8.653083
  H      -2.663649      1.491925      8.113535
  H      -1.935619      2.751193      9.151813
  C      -2.445022      1.152697      3.358730
  C      -3.226555     -0.175675      3.321611
  C      -4.759396      0.002180      3.236238
  C      -5.195938      0.331561      1.837412
  N      -5.237750      1.620113      1.486822
  C      -5.588021      1.920342      0.212577
  N      -5.919653      1.084423     -0.753496
  C      -5.884661     -0.246029     -0.428558
  C      -6.219418     -1.203093     -1.415661
  C      -6.171558     -2.553344     -1.121249
  C      -5.791021     -2.993110      0.165284
  C      -5.467335     -2.079297      1.151322
  C      -5.508802     -0.687008      0.881985
  C      -3.194041      6.388716      5.396538
  C      -3.279749      7.147033      4.063377
  C      -4.384824      6.602401      3.158677
  C      -5.782297      6.909633      3.632625
  N      -5.945821      7.766568      4.639934
  C      -7.209779      7.989242      5.077111
  N      -8.331764      7.457420      4.626601
  C      -8.197613      6.589700      3.575165
  C      -9.355953      5.991122      3.022246
  C      -9.242467      5.114276      1.960886
  C      -7.976135      4.795204      1.423864
  C      -6.828265      5.357754      1.950660
  C      -6.913191      6.272196      3.030622
  C      -6.010113      3.086112      7.018236
  C      -6.674325      4.447180      6.757352
  C      -8.201603      4.407082      6.688145
  C      -8.797690      3.625804      5.544505
  N      -7.987432      3.102103      4.634411
  C      -8.537600      2.368398      3.632147
  N      -9.812945      2.092473      3.445350
  C     -10.679599      2.651752      4.344926
  C     -12.070788      2.439190      4.184200
  C     -12.966786      3.010935      5.065845
  C     -12.510080      3.809790      6.138613
  C     -11.157628      4.025327      6.323350
  C     -10.215314      3.451562      5.435303
  H      -1.410728      0.952609      3.013283
  H      -2.879595      1.857836      2.634590
  H      -2.985415     -0.760340      4.223278
  H      -2.877558     -0.772315      2.462585
  H      -5.258158     -0.915544      3.576220
  H      -5.060069      0.818288      3.909810
  H      -5.595968      2.987510     -0.033942
  H      -6.507432     -0.839995     -2.403263
  H      -6.429041     -3.287019     -1.886942
  H      -5.755594     -4.062040      0.382245
  H      -5.175702     -2.431823      2.140956
  H      -4.216074      6.237813      5.777112
  H      -2.689696      7.025579      6.145447
  H      -2.310264      7.076176      3.546191
  H      -3.469329      8.210665      4.271839
  H      -4.274550      6.989806      2.130143
  H      -4.297246      5.502798      3.086166
  H      -7.300820      8.694123      5.910923
  H     -10.323392      6.242599      3.459171
  H     -10.135523      4.647815      1.541732
  H      -7.907159      4.086817      0.596750
  H      -5.852475      5.097678      1.541701
  H      -6.355192      2.692127      7.993644
  H      -6.346386      2.380414      6.247098
  H      -6.381354      5.153101      7.550803
  H      -6.281434      4.857272      5.815837
  H      -8.618515      4.009930      7.630474
  H      -8.582670      5.440823      6.613169
  H      -7.824741      1.957711      2.909802
  H     -12.401128      1.823760      3.346166
  H     -14.038205      2.849046      4.934326
  H     -13.232299      4.259136      6.822030
  H     -10.812353      4.649111      7.148219
  N      -4.877618      3.347398      4.049462
  H      -5.872109      3.495977      4.265401
  H      -4.834913      2.913529      3.116925
98
Coordinates from ORCA-job orca E -6204.349849802559
  N      -2.344230      1.812016      4.652160
  Mo     -3.399868      3.344286      5.402403
  N      -4.547382      3.114307      7.005838
  C      -3.904764      3.187787      8.314630
  C      -2.527090      2.541326      8.232307
  N      -1.797150      3.056269      7.049211
  C      -0.812663      2.076289      6.528851
  C      -1.512969      1.084191      5.609076
  C      -1.177711      4.387148      7.281960
  C      -1.152874      5.129722      5.946394
  N      -2.498128      5.109179      5.370082
  H      -0.741757      0.491518      5.082328
  H      -2.099007      0.360008      6.210579
  H      -0.068136      2.631809      5.942729
  H      -0.289346      1.573464      7.362454
  H      -0.796476      6.163106      6.096676
  H      -0.433373      4.644305      5.264125
  H      -1.815274      4.940034      7.986300
  H      -0.174406      4.276633      7.734443
  H      -4.499311      2.647874      9.074804
  H      -3.815332      4.233225      8.675477
  H      -2.654344      1.458700      8.088465
  H      -1.941154      2.702274      9.155885
  C      -2.394805      1.189466      3.334859
  C      -3.144778     -0.155687      3.277998
  C      -4.683281     -0.013521      3.229400
  C      -5.159091      0.313214      1.842969
  N      -5.204380      1.600600      1.490689
  C      -5.592006      1.902084      0.227862
  N      -5.958860      1.066630     -0.725615
  C      -5.920258     -0.263335     -0.399762
  C      -6.290182     -1.219738     -1.374990
  C      -6.238214     -2.569859     -1.081547
  C      -5.818406     -3.010544      0.192436
  C      -5.460657     -2.097623      1.167205
  C      -5.505621     -0.705260      0.898918
  C      -3.215172      6.391947      5.409727
  C      -3.298360      7.134074      4.066191
  C      -4.402198      6.580321      3.166489
  C      -5.800369      6.894342      3.632004
  N      -5.966155      7.745399      4.643897
  C      -7.231836      7.971466      5.074320
  N      -8.353662      7.448396      4.613322
  C      -8.217303      6.586967      3.557038
  C      -9.375263      5.997567      2.993444
  C      -9.259420      5.126109      1.928030
  C      -7.991406      4.804523      1.396282
  C      -6.843910      5.359131      1.932695
  C      -6.931099      6.266869      3.018207
  C      -6.009235      3.064468      7.012310
  C      -6.666438      4.430815      6.759981
  C      -8.193846      4.400980      6.691842
  C      -8.795638      3.633153      5.542580
  N      -7.989117      3.109075      4.630318
  C      -8.544909      2.387481      3.621638
  N      -9.822434      2.128151      3.429362
  C     -10.685121      2.689710      4.331004
  C     -12.078355      2.494755      4.164285
  C     -12.969846      3.068205      5.048625
  C     -12.507044      3.851280      6.130850
  C     -11.153148      4.049646      6.321056
  C     -10.214990      3.474016      5.429652
  H      -1.354670      1.014902      2.992573
  H      -2.841565      1.893745      2.617375
  H      -2.869902     -0.756275      4.159400
  H      -2.800493     -0.722892      2.397131
  H      -5.151201     -0.945416      3.573687
  H      -4.988038      0.789609      3.917677
  H      -5.601525      2.969104     -0.019284
  H      -6.607741     -0.856201     -2.353327
  H      -6.522571     -3.302859     -1.838339
  H      -5.779569     -4.079601      0.408280
  H      -5.138949     -2.450727      2.147264
  H      -4.238240      6.239379      5.786506
  H      -2.719612      7.042518      6.152634
  H      -2.328171      7.054723      3.551744
  H      -3.485323      8.200844      4.261197
  H      -4.289865      6.951539      2.132111
  H      -4.316731      5.479259      3.107818
  H      -7.324625      8.671032      5.912385
  H     -10.344115      6.251799      3.425689
  H     -10.151942      4.666043      1.500764
  H      -7.921448      4.100043      0.565893
  H      -5.867174      5.098375      1.526322
  H      -6.361135      2.663981      7.982672
  H      -6.344282      2.366885      6.233056
  H      -6.368327      5.130348      7.557100
  H      -6.272119      4.843890      5.820360
  H      -8.612816      3.998137      7.630901
  H      -8.569355      5.437471      6.625592
  H      -7.834790      1.972456      2.899052
  H     -12.413419      1.890953      3.319686
  H     -14.042655      2.920098      4.912425
  H     -13.226001      4.301804      6.816907
  H     -10.802816      4.660615      7.153351
  N      -4.864919      3.338779      4.049086
  H      -5.857221      3.504258      4.259486
  H      -4.820587      2.890403      3.123544
98
Coordinates from ORCA-job orca E -6204.349992022328
  N      -2.313331      1.834898      4.632606
  Mo     -3.392681      3.341401      5.406543
  N      -4.547016      3.082281      7.001211
  C      -3.909598      3.130826      8.313633
  C      -2.525483      2.499003      8.222453
  N      -1.794699      3.048543      7.055811
  C      -0.792032      2.095587      6.521218
  C      -1.470873      1.108098      5.580504
  C      -1.199409      4.384437      7.318121
  C      -1.175640      5.152717      5.997193
  N      -2.515307      5.118828      5.408832
  H      -0.686773      0.537784      5.048001
  H      -2.045360      0.362957      6.167696
  H      -0.054743      2.675291      5.949525
  H      -0.263560      1.585315      7.347185
  H      -0.839736      6.189169      6.171002
  H      -0.440502      4.693419      5.313280
  H      -1.851696      4.913273      8.027135
  H      -0.197720      4.282061      7.776240
  H      -4.501794      2.569078      9.059736
  H      -3.829867      4.168695      8.698034
  H      -2.641713      1.418964      8.052135
  H      -1.946184      2.643442      9.153078
  C      -2.349818      1.229897      3.306638
  C      -3.065133     -0.133187      3.235748
  C      -4.608200     -0.031034      3.225161
  C      -5.125255      0.290330      1.852544
  N      -5.175837      1.575846      1.496781
  C      -5.602286      1.876154      0.246311
  N      -6.004475      1.039491     -0.691492
  C      -5.961251     -0.289310     -0.362365
  C      -6.367982     -1.246603     -1.322119
  C      -6.312506     -2.595904     -1.027088
  C      -5.852172     -3.035411      0.233453
  C      -5.458308     -2.121819      1.193181
  C      -5.506027     -0.729859      0.923247
  C      -3.242494      6.395737      5.431099
  C      -3.315781      7.132417      4.083071
  C      -4.413274      6.577283      3.177104
  C      -5.814320      6.891563      3.631535
  N      -5.987842      7.733960      4.649499
  C      -7.256752      7.956692      5.071763
  N      -8.375164      7.437714      4.597879
  C      -8.230763      6.585682      3.535058
  C      -9.384346      6.000919      2.957837
  C      -9.260382      5.138030      1.886407
  C      -7.988472      4.821634      1.360873
  C      -6.845198      5.372588      1.909997
  C      -6.940650      6.270750      3.002793
  C      -6.009126      3.037421      7.001254
  C      -6.658262      4.409771      6.760248
  C      -8.185726      4.391847      6.691872
  C      -8.793917      3.641968      5.534429
  N      -7.992425      3.121992      4.615678
  C      -8.555818      2.415933      3.599566
  N      -9.835514      2.170389      3.405565
  C     -10.692721      2.729219      4.314071
  C     -12.087858      2.549230      4.145493
  C     -12.973575      3.119860      5.037068
  C     -12.503012      3.885046      6.128984
  C     -11.147471      4.068620      6.320688
  C     -10.215001      3.496011      5.421343
  H      -1.306335      1.084624      2.960359
  H      -2.816618      1.931414      2.599472
  H      -2.754075     -0.744056      4.097697
  H      -2.727409     -0.673158      2.335427
  H      -5.043085     -0.976579      3.574784
  H      -4.917634      0.759337      3.926401
  H      -5.614481      2.942454     -0.003281
  H      -6.716428     -0.884085     -2.290279
  H      -6.625484     -3.329389     -1.771979
  H      -5.810862     -4.104102      0.450586
  H      -5.106048     -2.474212      2.162933
  H      -4.268387      6.236591      5.796621
  H      -2.761404      7.054867      6.175954
  H      -2.341918      7.049871      3.576050
  H      -3.502036      8.200355      4.272614
  H      -4.293797      6.944160      2.141921
  H      -4.328124      5.475523      3.121353
  H      -7.356085      8.649380      5.914809
  H     -10.356375      6.251670      3.384924
  H     -10.149541      4.680925      1.449112
  H      -7.912611      4.124057      0.525239
  H      -5.865673      5.117252      1.506759
  H      -6.367426      2.628634      7.965774
  H      -6.343450      2.349499      6.212987
  H      -6.355495      5.100643      7.563099
  H      -6.261225      4.827871      5.824083
  H      -8.607442      3.981361      7.626436
  H      -8.554295      5.431582      6.637008
  H      -7.850588      2.000953      2.872225
  H     -12.428719      1.958764      3.293801
  H     -14.047779      2.983455      4.899587
  H     -13.217521      4.333336      6.821109
  H     -10.791107      4.665555      7.160575
  N      -4.849918      3.334790      4.044011
  H      -5.841166      3.512703      4.247416
  H      -4.802095      2.876780      3.123533
98
Coordinates from ORCA-job orca E -6204.350114831028
  N      -2.283410      1.859654      4.611230
  Mo     -3.386393      3.339182      5.408558
  N      -4.548105      3.048569      6.992963
  C      -3.917096      3.072559      8.308978
  C      -2.526372      2.456181      8.210388
  N      -1.794717      3.039511      7.060932
  C      -0.774599      2.113347      6.513390
  C      -1.431900      1.132436      5.550765
  C      -1.222724      4.378796      7.353492
  C      -1.199366      5.173077      6.048163
  N      -2.532881      5.127782      5.447129
  H      -0.635140      0.584757      5.013138
  H      -1.995633      0.366891      6.122221
  H      -0.043966      2.716352      5.957455
  H      -0.242032      1.595130      7.331861
  H      -0.883437      6.211395      6.246154
  H      -0.449044      4.740237      5.363120
  H      -1.889704      4.883453      8.066236
  H      -0.223298      4.283412      7.818149
  H      -4.507145      2.488905      9.039880
  H      -3.848257      4.102308      8.716880
  H      -2.631159      1.379348      8.014303
  H      -1.953926      2.584540      9.147692
  C      -2.303778      1.274320      3.276198
  C      -2.983331     -0.105674      3.186951
  C      -4.528912     -0.045535      3.217697
  C      -5.090523      0.268404      1.861176
  N      -5.149707      1.551600      1.500518
  C      -5.618774      1.848135      0.264544
  N      -6.057198      1.008498     -0.653921
  C      -6.006089     -0.318616     -0.319994
  C      -6.450392     -1.278709     -1.260330
  C      -6.388214     -2.626647     -0.962007
  C      -5.883166     -3.062455      0.282815
  C      -5.452288     -2.146235      1.223659
  C      -5.506090     -0.755202      0.950336
  C      -3.268075      6.399567      5.453033
  C      -3.330258      7.131349      4.101114
  C      -4.422122      6.575753      3.189202
  C      -5.825392      6.891376      3.634016
  N      -6.004837      7.726299      4.657193
  C      -7.276263      7.947735      5.072188
  N      -8.392167      7.433925      4.586871
  C      -8.241637      6.590393      3.518152
  C      -9.392057      6.012009      2.928389
  C      -9.262047      5.157482      1.851055
  C      -7.987097      4.843690      1.331356
  C      -6.846826      5.388527      1.892741
  C      -6.948456      6.278011      2.992049
  C      -6.010345      3.009135      6.985423
  C      -6.651225      4.387692      6.757814
  C      -8.178642      4.381675      6.689460
  C      -8.792210      3.648774      5.524152
  N      -7.994574      3.132784      4.599993
  C      -8.563990      2.440619      3.577255
  N      -9.845395      2.207008      3.381171
  C     -10.698356      2.763839      4.294913
  C     -12.094931      2.597399      4.123841
  C     -12.976121      3.166241      5.020791
  C     -12.499464      3.915959      6.120984
  C     -11.142656      4.086054      6.314941
  C     -10.214666      3.515302      5.409793
  H      -1.256961      1.159646      2.928197
  H      -2.789288      1.973195      2.579336
  H      -2.633840     -0.728338      4.025249
  H      -2.654845     -0.614347      2.265235
  H      -4.928499     -1.003974      3.573470
  H      -4.840942      0.732033      3.932330
  H      -5.635956      2.913371      0.010868
  H      -6.832847     -0.919077     -2.216649
  H      -6.730349     -3.362175     -1.691937
  H      -5.836709     -4.130398      0.502558
  H      -5.065712     -2.496042      2.181158
  H      -4.296894      6.235067      5.807127
  H      -2.800534      7.065873      6.200162
  H      -2.352858      7.044994      3.601556
  H      -3.514889      8.200504      4.285527
  H      -4.295783      6.938704      2.153455
  H      -4.338164      5.473290      3.136369
  H      -7.380539      8.634214      5.919748
  H     -10.366553      6.261022      3.350813
  H     -10.148845      4.705028      1.404258
  H      -7.906932      4.152876      0.490546
  H      -5.865108      5.136019      1.492943
  H      -6.375668      2.590290      7.942954
  H      -6.343474      2.332632      6.186727
  H      -6.343615      5.068841      7.567055
  H      -6.251510      4.811992      5.825663
  H      -8.603203      3.964028      7.619600
  H      -8.540339      5.424390      6.645583
  H      -7.862647      2.026823      2.845605
  H     -12.440310      2.018616      3.265958
  H     -14.051397      3.040616      4.881461
  H     -13.210497      4.362994      6.817503
  H     -10.781616      4.671045      7.161225
  N      -4.835973      3.332687      4.036530
  H      -5.826474      3.519516      4.233697
  H      -4.785127      2.865508      3.120974
98
Coordinates from ORCA-job orca E -6204.350229653734
  N      -2.252344      1.887968      4.587080
  Mo     -3.380075      3.336933      5.409904
  N      -4.548019      3.009388      6.983001
  C      -3.923063      3.007949      8.301845
  C      -2.524822      2.409823      8.194885
  N      -1.794019      3.029467      7.064154
  C      -0.755837      2.132971      6.502205
  C      -1.390465      1.160113      5.516608
  C      -1.247054      4.371171      7.389404
  C      -1.226551      5.194482      6.102355
  N      -2.553423      5.136772      5.488246
  H      -0.580725      0.637902      4.972858
  H      -1.941530      0.372698      6.070736
  H      -0.033500      2.760846      5.963133
  H      -0.217706      1.606390      7.311763
  H      -0.933735      6.233951      6.327536
  H      -0.460109      4.792779      5.415667
  H      -1.928712      4.848868      8.106672
  H      -0.249787      4.282950      7.860184
  H      -4.509401      2.400390      9.016139
  H      -3.867221      4.028387      8.734760
  H      -2.616494      1.337202      7.971340
  H      -1.958980      2.521148      9.138448
  C      -2.259482      1.322958      3.243341
  C      -2.903032     -0.072804      3.136268
  C      -4.448658     -0.055514      3.210450
  C      -5.057298      0.250370      1.872626
  N      -5.125658      1.531165      1.506949
  C      -5.639507      1.823516      0.287925
  N      -6.115327      0.980800     -0.608593
  C      -6.056033     -0.344453     -0.269532
  C      -6.539481     -1.307457     -1.187556
  C      -6.471123     -2.653847     -0.885224
  C      -5.920338     -3.085645      0.341713
  C      -5.450637     -2.166669      1.260709
  C      -5.509696     -0.776739      0.983153
  C      -3.297643      6.402442      5.478347
  C      -3.345394      7.131687      4.123766
  C      -4.429331      6.576782      3.202594
  C      -5.835880      6.891464      3.635895
  N      -6.023915      7.719293      4.663379
  C      -7.298677      7.937881      5.069218
  N      -8.410533      7.427470      4.571168
  C      -8.251072      6.591843      3.497581
  C      -9.396567      6.017981      2.894052
  C      -9.257663      5.170710      1.812180
  C      -7.978461      4.859929      1.301171
  C      -6.842897      5.400673      1.875885
  C      -6.953658      6.283021      2.980052
  C      -6.010403      2.976590      6.968235
  C      -6.642652      4.361478      6.754222
  C      -8.169924      4.367801      6.685665
  C      -8.788650      3.652941      5.511891
  N      -7.994712      3.140643      4.582484
  C      -8.570043      2.463041      3.552980
  N      -9.853180      2.241949      3.354519
  C     -10.701967      2.797689      4.272859
  C     -12.099884      2.646432      4.098471
  C     -12.976635      3.214803      4.999944
  C     -12.494002      3.948634      6.108340
  C     -11.135938      4.103576      6.305473
  C     -10.212374      3.533419      5.395425
  H      -1.210689      1.239177      2.892135
  H      -2.765139      2.018540      2.557905
  H      -2.513841     -0.705467      3.949039
  H      -2.586844     -0.549853      2.193652
  H      -4.811640     -1.025799      3.572621
  H      -4.760988      0.709228      3.938934
  H      -5.662192      2.887549      0.029856
  H      -6.956928     -0.950867     -2.130277
  H      -6.843705     -3.391531     -1.597881
  H      -5.869398     -4.152698      0.564723
  H      -5.028887     -2.513556      2.204274
  H      -4.330007      6.230358      5.817459
  H      -2.847079      7.074837      6.230449
  H      -2.363402      7.041994      3.633864
  H      -3.528598      8.201802      4.304085
  H      -4.294541      6.938320      2.167456
  H      -4.344977      5.473902      3.150284
  H      -7.410124      8.618611      5.920524
  H     -10.374496      6.264629      3.309870
  H     -10.140734      4.721414      1.354985
  H      -7.891721      4.174730      0.456454
  H      -5.858052      5.151185      1.481819
  H      -6.382759      2.547812      7.918613
  H      -6.342788      2.311961      6.159217
  H      -6.330060      5.032674      7.569834
  H      -6.239973      4.791848      5.826190
  H      -8.597690      3.942538      7.610907
  H      -8.524439      5.413426      6.653606
  H      -7.872358      2.049844      2.817566
  H     -12.449707      2.079695      3.234357
  H     -14.052921      3.101355      4.858023
  H     -13.201549      4.395486      6.808524
  H     -10.770341      4.676453      7.158064
  N      -4.822235      3.332757      4.028595
  H      -5.812629      3.524022      4.220897
  H      -4.768142      2.856990      3.117894
98
Coordinates from ORCA-job orca E -6204.350367192834
  N      -2.217646      1.921580      4.561884
  Mo     -3.372309      3.335159      5.411970
  N      -4.545037      2.961875      6.971786
  C      -3.926078      2.936754      8.292605
  C      -2.518638      2.361880      8.177262
  N      -1.791027      3.020496      7.066876
  C      -0.733882      2.157481      6.488723
  C      -1.343845      1.193363      5.479652
  C      -1.271119      4.363479      7.427312
  C      -1.259032      5.220451      6.162613
  N      -2.578796      5.147223      5.535505
  H      -0.520361      0.700445      4.928883
  H      -1.879648      0.382333      6.014690
  H      -0.022778      2.812461      5.967063
  H      -0.187281      1.622935      7.287437
  H      -0.995541      6.260227      6.419978
  H      -0.474761      4.858496      5.473135
  H      -1.965935      4.810434      8.151705
  H      -0.274993      4.282866      7.901908
  H      -4.506097      2.303198      8.989367
  H      -3.887159      3.947101      8.750860
  H      -2.594180      1.294446      7.925162
  H      -1.959580      2.456392      9.126754
  C      -2.216918      1.376837      3.209892
  C      -2.825133     -0.033342      3.085816
  C      -4.368200     -0.057792      3.204130
  C      -5.025184      0.242353      1.888190
  N      -5.092716      1.520839      1.515948
  C      -5.649958      1.811604      0.315738
  N      -6.169580      0.968784     -0.555771
  C      -6.112778     -0.354473     -0.209574
  C      -6.642822     -1.317325     -1.101945
  C      -6.579954     -2.662087     -0.793070
  C      -5.988238     -3.092820      0.415329
  C      -5.472070     -2.174085      1.308873
  C      -5.523902     -0.785374      1.024281
  C      -3.333759      6.405133      5.506842
  C      -3.361383      7.132379      4.149773
  C      -4.433747      6.578520      3.215194
  C      -5.845299      6.888041      3.633837
  N      -6.046650      7.709636      4.663845
  C      -7.326287      7.923154      5.056606
  N      -8.431278      7.412747      4.543562
  C      -8.257897      6.583542      3.467259
  C      -9.395254      6.010276      2.848078
  C      -9.242284      5.168106      1.764248
  C      -7.956717      4.861806      1.266513
  C      -6.829039      5.402961      1.856000
  C      -6.954248      6.280510      2.962402
  C      -6.007564      2.937349      6.950105
  C      -6.631332      4.328343      6.749455
  C      -8.158374      4.346092      6.681178
  C      -8.781470      3.648924      5.498859
  N      -7.990349      3.138150      4.565892
  C      -8.570691      2.473343      3.530805
  N      -9.855445      2.265199      3.328930
  C     -10.700853      2.823375      4.249013
  C     -12.099764      2.689309      4.069241
  C     -12.972870      3.260923      4.972296
  C     -12.485261      3.980412      6.087884
  C     -11.126118      4.118200      6.290361
  C     -10.206214      3.545080      5.378430
  H      -1.168281      1.323665      2.851952
  H      -2.745355      2.068430      2.538280
  H      -2.396563     -0.674407      3.871589
  H      -2.523872     -0.479138      2.123377
  H      -4.695141     -1.038388      3.571989
  H      -4.677671      0.694160      3.947278
  H      -5.670223      2.874173      0.051895
  H      -7.091657     -0.961376     -2.030350
  H      -6.988709     -3.399674     -1.485787
  H      -5.942601     -4.158899      0.643833
  H      -5.019004     -2.520241      2.237997
  H      -4.370591      6.222656      5.825321
  H      -2.906171      7.083849      6.266639
  H      -2.373146      7.038050      3.673441
  H      -3.542603      8.203663      4.325016
  H      -4.288561      6.940948      2.181846
  H      -4.345672      5.475603      3.161333
  H      -7.448835      8.598856      5.910391
  H     -10.378300      6.252904      3.254107
  H     -10.119035      4.718398      1.295573
  H      -7.859350      4.179860      0.420313
  H      -5.839397      5.157338      1.471491
  H      -6.386915      2.498829      7.893255
  H      -6.339709      2.284985      6.130948
  H      -6.313501      4.990205      7.570736
  H      -6.225847      4.763971      5.825082
  H      -8.588934      3.912502      7.601268
  H      -8.506523      5.394065      6.661887
  H      -7.875834      2.059197      2.793365
  H     -12.453246      2.133355      3.199601
  H     -14.049948      3.161456      4.825992
  H     -13.189784      4.429982      6.789370
  H     -10.756846      4.680319      7.148507
  N      -4.806574      3.334537      4.020593
  H      -5.798436      3.519790      4.210706
  H      -4.747311      2.850435      3.115053
98
Coordinates from ORCA-job orca E -6204.350552809668
  N      -2.172545      1.961010      4.538328
  Mo     -3.357289      3.335109      5.413172
  N      -4.534926      2.902987      6.954225
  C      -3.924791      2.859444      8.277736
  C      -2.505095      2.316509      8.158245
  N      -1.782534      3.015840      7.069845
  C      -0.704780      2.189626      6.476347
  C      -1.286532      1.233404      5.444086
  C      -1.290948      4.358897      7.466948
  C      -1.293404      5.252764      6.228383
  N      -2.605524      5.160881      5.588286
  H      -0.447796      0.774448      4.886467
  H      -1.804443      0.397127      5.957724
  H      -0.008165      2.873257      5.971917
  H      -0.146981      1.649693      7.263769
  H      -1.065314      6.291257      6.522328
  H      -0.490446      4.938653      5.536073
  H      -1.995858      4.772252      8.201610
  H      -0.294614      4.286091      7.942203
  H      -4.495413      2.196846      8.955246
  H      -3.911118      3.859179      8.760703
  H      -2.558639      1.254629      7.878715
  H      -1.954851      2.397482      9.114100
  C      -2.171741      1.432376      3.180030
  C      -2.757216      0.013589      3.042736
  C      -4.295708     -0.037054      3.203848
  C      -4.998340      0.259360      1.910949
  N      -5.039467      1.533283      1.520400
  C      -5.634952      1.823700      0.338555
  N      -6.215206      0.985266     -0.497993
  C      -6.188800     -0.333176     -0.131385
  C      -6.785900     -1.291062     -0.986273
  C      -6.758398     -2.631563     -0.656380
  C      -6.136289     -3.063204      0.536641
  C      -5.553345     -2.149327      1.392832
  C      -5.566637     -0.764469      1.086030
  C      -3.374224      6.408466      5.539752
  C      -3.375148      7.138727      4.183160
  C      -4.430928      6.588910      3.227911
  C      -5.850107      6.884367      3.629359
  N      -6.071731      7.700327      4.659672
  C      -7.358300      7.903499      5.035022
  N      -8.452188      7.387703      4.504017
  C      -8.257645      6.563863      3.427401
  C      -9.382153      5.986538      2.788877
  C      -9.207803      5.148680      1.705115
  C      -7.912995      4.850258      1.226546
  C      -6.797836      5.397309      1.833845
  C      -6.944972      6.271166      2.940387
  C      -5.997447      2.885670      6.923564
  C      -6.616451      4.281160      6.737716
  C      -8.143163      4.304231      6.667079
  C      -8.765529      3.626789      5.472333
  N      -7.973438      3.123740      4.535263
  C      -8.554152      2.471690      3.492550
  N      -9.839139      2.268866      3.286054
  C     -10.685036      2.823312      4.208029
  C     -12.083716      2.699173      4.021478
  C     -12.957273      3.268275      4.926109
  C     -12.469775      3.974475      6.049961
  C     -11.110469      4.101996      6.259404
  C     -10.190238      3.532112      5.345816
  H      -1.125399      1.401181      2.812664
  H      -2.720149      2.121356      2.522779
  H      -2.296807     -0.636849      3.802268
  H      -2.475571     -0.405676      2.062806
  H      -4.597301     -1.021491      3.581796
  H      -4.593125      0.709789      3.957359
  H      -5.631807      2.882224      0.058922
  H      -7.257788     -0.933995     -1.902685
  H      -7.219030     -3.365526     -1.319892
  H      -6.120338     -4.126170      0.782566
  H      -5.077756     -2.496454      2.310137
  H      -4.416264      6.209957      5.829214
  H      -2.978568      7.091699      6.312684
  H      -2.378609      7.040987      3.725014
  H      -3.555051      8.210596      4.355902
  H      -4.273483      6.960564      2.199754
  H      -4.333499      5.486964      3.165309
  H      -7.497729      8.575237      5.889332
  H     -10.372640      6.222045      3.180800
  H     -10.074518      4.694609      1.222408
  H      -7.799265      4.170543      0.380552
  H      -5.801119      5.158380      1.463499
  H      -6.383812      2.434929      7.858131
  H      -6.327139      2.246420      6.093009
  H      -6.296995      4.933318      7.566264
  H      -6.207617      4.724547      5.818428
  H      -8.575902      3.856083      7.579158
  H      -8.489604      5.352714      6.665691
  H      -7.859092      2.063944      2.751972
  H     -12.436876      2.153333      3.145305
  H     -14.034343      3.177293      4.774316
  H     -13.174267      4.422183      6.752662
  H     -10.741781      4.654190      7.124197
  N      -4.780298      3.341826      4.007608
  H      -5.776792      3.503320      4.195745
  H      -4.707274      2.859287      3.102918
98
Coordinates from ORCA-job orca E -6204.350883176530
  N      -2.160340      1.983145      4.520036
  Mo     -3.348890      3.336390      5.419149
  N      -4.498902      2.865275      6.968229
  C      -3.874098      2.814506      8.284570
  C      -2.447025      2.298729      8.142171
  N      -1.751125      3.021494      7.051085
  C      -0.668973      2.216757      6.435477
  C      -1.252293      1.258706      5.405831
  C      -1.271771      4.366958      7.456356
  C      -1.304000      5.274110      6.227705
  N      -2.622913      5.171745      5.602319
  H      -0.415816      0.817494      4.830621
  H      -1.750630      0.411054      5.919704
  H       0.007470      2.914760      5.923500
  H      -0.089772      1.681873      7.210684
  H      -1.086628      6.312459      6.531107
  H      -0.505351      4.978763      5.522645
  H      -1.969524      4.763345      8.207385
  H      -0.267447      4.301290      7.915251
  H      -4.425651      2.132387      8.958883
  H      -3.873936      3.807476      8.781349
  H      -2.485533      1.238619      7.852931
  H      -1.885520      2.380019      9.091231
  C      -2.191195      1.455247      3.162626
  C      -2.778881      0.036343      3.040292
  C      -4.310197     -0.016147      3.254796
  C      -5.061058      0.277851      1.988627
  N      -5.093292      1.547941      1.582191
  C      -5.730871      1.832577      0.421031
  N      -6.361762      0.994706     -0.378859
  C      -6.346920     -0.318764      0.005770
  C      -6.997665     -1.276073     -0.809618
  C      -6.982776     -2.612154     -0.461257
  C      -6.320034     -3.039551      0.711156
  C      -5.683865     -2.125920      1.528940
  C      -5.682894     -0.745412      1.202512
  C      -3.410247      6.408153      5.575934
  C      -3.414158      7.173752      4.239438
  C      -4.450742      6.635479      3.255033
  C      -5.880987      6.883877      3.651819
  N      -6.131609      7.649494      4.712756
  C      -7.427271      7.811889      5.079514
  N      -8.503869      7.302872      4.509666
  C      -8.279867      6.535845      3.397615
  C      -9.385568      5.978067      2.710969
  C      -9.181684      5.202024      1.587696
  C      -7.875039      4.948052      1.114811
  C      -6.778100      5.473080      1.771156
  C      -6.955380      6.285479      2.919013
  C      -5.960625      2.838475      6.950370
  C      -6.590494      4.233874      6.811971
  C      -8.113497      4.236003      6.698975
  C      -8.673845      3.613242      5.445135
  N      -7.831097      3.193653      4.509023
  C      -8.352017      2.595652      3.405083
  N      -9.621901      2.373681      3.134125
  C     -10.518606      2.842627      4.056665
  C     -11.904459      2.693239      3.807361
  C     -12.828772      3.180007      4.710871
  C     -12.405302      3.826815      5.894283
  C     -11.058926      3.977303      6.165677
  C     -10.088056      3.490026      5.256219
  H      -1.155513      1.428621      2.766205
  H      -2.759980      2.142657      2.521378
  H      -2.294033     -0.616528      3.782690
  H      -2.526733     -0.378064      2.050221
  H      -4.599884     -0.997751      3.648291
  H      -4.578067      0.735650      4.014207
  H      -5.717366      2.886493      0.124672
  H      -7.499812     -0.921965     -1.710946
  H      -7.484663     -3.346062     -1.094225
  H      -6.314758     -4.099025      0.972110
  H      -5.177386     -2.470178      2.430575
  H      -4.450686      6.186300      5.853930
  H      -3.029806      7.077619      6.368328
  H      -2.412136      7.107019      3.787946
  H      -3.614655      8.236974      4.440107
  H      -4.291916      7.052828      2.244949
  H      -4.328302      5.539610      3.151182
  H      -7.590134      8.440488      5.961952
  H     -10.385601      6.178692      3.098028
  H     -10.033984      4.763298      1.066793
  H      -7.737802      4.317043      0.235295
  H      -5.771725      5.265063      1.408107
  H      -6.337676      2.356040      7.872988
  H      -6.290541      2.222657      6.102104
  H      -6.299453      4.852608      7.676101
  H      -6.166563      4.722565      5.923064
  H      -8.564350      3.728051      7.570170
  H      -8.481312      5.276659      6.744220
  H      -7.618629      2.265676      2.662579
  H     -12.207783      2.195337      2.885174
  H     -13.896140      3.069515      4.511196
  H     -13.148815      4.210534      6.594700
  H     -10.740041      4.483837      7.076980
  N      -4.792930      3.332591      4.032273
  H      -5.792279      3.464627      4.233388
  H      -4.719821      2.869624      3.117126
98
Coordinates from ORCA-job orca E -6204.351049233642
  N      -2.147391      1.995357      4.521102
  Mo     -3.340376      3.344146      5.419381
  N      -4.497265      2.854421      6.957530
  C      -3.881365      2.802680      8.277359
  C      -2.451876      2.293693      8.141742
  N      -1.752468      3.021401      7.056352
  C      -0.666969      2.220013      6.441725
  C      -1.244189      1.265125      5.406473
  C      -1.273692      4.363929      7.471763
  C      -1.303953      5.280642      6.250851
  N      -2.620365      5.180191      5.620835
  H      -0.404185      0.829990      4.831404
  H      -1.743469      0.413729      5.912927
  H       0.008784      2.921607      5.933647
  H      -0.088222      1.683963      7.216348
  H      -1.092720      6.316804      6.565862
  H      -0.500349      4.996328      5.546334
  H      -1.973158      4.754883      8.224382
  H      -0.270579      4.294976      7.932665
  H      -4.433583      2.113985      8.944529
  H      -3.891611      3.793461      8.778652
  H      -2.485673      1.234454      7.849191
  H      -1.895346      2.374000      9.093639
  C      -2.183415      1.467403      3.164107
  C      -2.782876      0.053578      3.040816
  C      -4.315855      0.020507      3.242428
  C      -5.054729      0.295255      1.964793
  N      -5.029791      1.548539      1.507709
  C      -5.649425      1.811909      0.331655
  N      -6.312271      0.970563     -0.438055
  C      -6.356410     -0.325349     -0.000690
  C      -7.044606     -1.285702     -0.781098
  C      -7.089558     -2.605620     -0.379009
  C      -6.451007     -3.013387      0.813820
  C      -5.778610     -2.096129      1.597551
  C      -5.716201     -0.731348      1.216048
  C      -3.406210      6.416042      5.592682
  C      -3.389104      7.191731      4.262966
  C      -4.416486      6.669685      3.260282
  C      -5.850266      6.918461      3.644662
  N      -6.108449      7.670602      4.712434
  C      -7.408082      7.839782      5.064225
  N      -8.480736      7.353120      4.469461
  C      -8.247990      6.604610      3.346885
  C      -9.349095      6.077876      2.629573
  C      -9.135872      5.314931      1.499771
  C      -7.824432      5.042790      1.050187
  C      -6.732830      5.540718      1.734053
  C      -6.919202      6.341847      2.887948
  C      -5.959815      2.826388      6.934741
  C      -6.599988      4.217377      6.796491
  C      -8.124371      4.203095      6.692138
  C      -8.685690      3.571788      5.441524
  N      -7.844686      3.179224      4.489470
  C      -8.364929      2.571554      3.391755
  N      -9.632235      2.314043      3.138912
  C     -10.528441      2.755954      4.076304
  C     -11.912641      2.571894      3.845833
  C     -12.837800      3.033438      4.763522
  C     -12.414888      3.688536      5.941665
  C     -11.068486      3.873112      6.195355
  C     -10.097536      3.412884      5.271389
  H      -1.148330      1.433184      2.766867
  H      -2.748451      2.158366      2.523908
  H      -2.311500     -0.602643      3.789105
  H      -2.525629     -0.364764      2.053951
  H      -4.621616     -0.946008      3.659708
  H      -4.579078      0.795980      3.978641
  H      -5.589683      2.851320     -0.006533
  H      -7.526936     -0.946430     -1.698736
  H      -7.620269     -3.342343     -0.984756
  H      -6.493538     -4.060402      1.117736
  H      -5.291515     -2.425524      2.515087
  H      -4.450236      6.191081      5.852575
  H      -3.038647      7.078749      6.396832
  H      -2.382214      7.121159      3.822983
  H      -3.584660      8.254656      4.469325
  H      -4.244571      7.102553      2.259294
  H      -4.295700      5.575437      3.142705
  H      -7.577148      8.455012      5.954785
  H     -10.353056      6.286983      3.001699
  H      -9.984722      4.895653      0.958073
  H      -7.680225      4.415074      0.169599
  H      -5.722725      5.316918      1.390644
  H      -6.335059      2.341826      7.857110
  H      -6.286623      2.208871      6.086396
  H      -6.309996      4.840024      7.658527
  H      -6.183235      4.707165      5.904622
  H      -8.560751      3.687645      7.566372
  H      -8.506109      5.238831      6.742429
  H      -7.634762      2.275531      2.632155
  H     -12.215558      2.068295      2.926562
  H     -13.904635      2.895921      4.578308
  H     -13.158247      4.052057      6.653023
  H     -10.750535      4.386280      7.103285
  N      -4.776932      3.349495      4.024059
  H      -5.781347      3.465788      4.220786
  H      -4.694194      2.896544      3.105335
98
Coordinates from ORCA-job orca E -6204.350911838791
  N      -2.142995      2.004840      4.544870
  Mo     -3.334263      3.358987      5.433738
  N      -4.495193      2.865572      6.967129
  C      -3.884110      2.820551      8.289725
  C      -2.453538      2.313041      8.161899
  N      -1.752705      3.037177      7.074851
  C      -0.666425      2.231810      6.465636
  C      -1.243745      1.273406      5.433264
  C      -1.272636      4.380756      7.488970
  C      -1.298876      5.295455      6.266003
  N      -2.613711      5.193660      5.633244
  H      -0.403871      0.836256      4.859689
  H      -1.745690      0.424203      5.940358
  H       0.009599      2.930486      5.953957
  H      -0.088777      1.700311      7.244030
  H      -1.087350      6.332391      6.578493
  H      -0.494146      5.008005      5.564413
  H      -1.972688      4.773819      8.240006
  H      -0.270589      4.310790      7.951923
  H      -4.438254      2.133194      8.956666
  H      -3.899045      3.812971      8.787298
  H      -2.484167      1.252145      7.875142
  H      -1.899407      2.399880      9.114425
  C      -2.177814      1.478370      3.186997
  C      -2.803371      0.076661      3.051091
  C      -4.341491      0.074190      3.211363
  C      -5.040379      0.358789      1.913355
  N      -4.960321      1.605126      1.442800
  C      -5.548500      1.876431      0.252287
  N      -6.228890      1.051209     -0.519507
  C      -6.330147     -0.236551     -0.067864
  C      -7.042223     -1.179380     -0.848116
  C      -7.145122     -2.491237     -0.430675
  C      -6.542851     -2.908044      0.777763
  C      -5.848758     -2.007497      1.561921
  C      -5.726964     -0.651166      1.164792
  C      -3.406447      6.423895      5.595070
  C      -3.390704      7.184479      4.258195
  C      -4.385710      6.616675      3.246345
  C      -5.834271      6.825335      3.602785
  N      -6.132817      7.581320      4.656430
  C      -7.443327      7.717108      4.983747
  N      -8.490465      7.194805      4.375004
  C      -8.216669      6.439776      3.266112
  C      -9.289972      5.873407      2.536426
  C      -9.036182      5.108749      1.416332
  C      -7.709311      4.868842      0.993001
  C      -6.644038      5.399792      1.693630
  C      -6.872834      6.208668      2.834546
  C      -5.959033      2.835931      6.944162
  C      -6.603636      4.226938      6.819300
  C      -8.131260      4.212531      6.736236
  C      -8.717250      3.599224      5.486682
  N      -7.894910      3.216399      4.513279
  C      -8.434277      2.618674      3.420618
  N      -9.705803      2.359639      3.189965
  C     -10.584446      2.792984      4.148250
  C     -11.971907      2.605429      3.945121
  C     -12.880292      3.052588      4.887558
  C     -12.435686      3.695813      6.063528
  C     -11.084508      3.883465      6.291573
  C     -10.130773      3.437986      5.342416
  H      -1.139861      1.426707      2.799446
  H      -2.722499      2.181092      2.542069
  H      -2.365100     -0.588764      3.811285
  H      -2.527357     -0.346718      2.071515
  H      -4.679761     -0.882513      3.625512
  H      -4.608553      0.860982      3.934479
  H      -5.446357      2.909372     -0.095852
  H      -7.495897     -0.833230     -1.777720
  H      -7.694116     -3.214624     -1.036149
  H      -6.631173     -3.948599      1.093851
  H      -5.390660     -2.343825      2.491747
  H      -4.450032      6.190160      5.847732
  H      -3.050401      7.095135      6.397647
  H      -2.375769      7.137463      3.833603
  H      -3.620632      8.243735      4.447294
  H      -4.209789      7.044642      2.244066
  H      -4.228950      5.526144      3.145073
  H      -7.645146      8.335610      5.865146
  H     -10.305675      6.056204      2.890047
  H      -9.863572      4.662474      0.862873
  H      -7.531647      4.239716      0.119444
  H      -5.621754      5.197581      1.373302
  H      -6.329276      2.346010      7.865714
  H      -6.288065      2.221073      6.094842
  H      -6.304499      4.843888      7.682263
  H      -6.196551      4.722371      5.925867
  H      -8.551750      3.684787      7.610828
  H      -8.512647      5.246843      6.809288
  H      -7.715856      2.316293      2.652703
  H     -12.291906      2.109673      3.027374
  H     -13.950104      2.911413      4.723499
  H     -13.165444      4.047730      6.794609
  H     -10.749774      4.386796      7.199008
  N      -4.765037      3.373907      4.035400
  H      -5.772700      3.479644      4.227418
  H      -4.669218      2.963534      3.097998
98
Coordinates from ORCA-job orca E -6204.351106174987
  N      -2.105642      2.014691      4.531237
  Mo     -3.311201      3.351908      5.427391
  N      -4.474067      2.836815      6.952016
  C      -3.867296      2.785303      8.276898
  C      -2.430406      2.293309      8.149093
  N      -1.732932      3.034132      7.070565
  C      -0.634845      2.246860      6.458432
  C      -1.197484      1.289601      5.416136
  C      -1.268983      4.379570      7.497101
  C      -1.298574      5.303002      6.280325
  N      -2.610344      5.192027      5.643108
  H      -0.351196      0.866471      4.841728
  H      -1.689634      0.430280      5.915921
  H       0.033473      2.958033      5.954012
  H      -0.053088      1.717096      7.235029
  H      -1.097921      6.339811      6.600625
  H      -0.488728      5.026528      5.580772
  H      -1.975539      4.759312      8.248424
  H      -0.267690      4.315928      7.962652
  H      -4.416586      2.085882      8.935377
  H      -3.893773      3.772601      8.783693
  H      -2.448644      1.234426      7.853386
  H      -1.880364      2.377721      9.104235
  C      -2.140376      1.494794      3.171093
  C      -2.747306      0.085422      3.030443
  C      -4.275770      0.046089      3.271254
  C      -5.048295      0.367096      2.025167
  N      -4.989325      1.625750      1.586814
  C      -5.657816      1.938739      0.450267
  N      -6.402785      1.143657     -0.292618
  C      -6.487470     -0.155511      0.128651
  C      -7.269478     -1.066359     -0.622296
  C      -7.359890     -2.388301     -0.235761
  C      -6.674990     -2.847954      0.911740
  C      -5.912359     -1.979301      1.667399
  C      -5.800982     -0.613285      1.301092
  C      -3.407735      6.419281      5.595996
  C      -3.396425      7.170853      4.253243
  C      -4.406098      6.608546      3.252455
  C      -5.849091      6.851554      3.610809
  N      -6.127200      7.618256      4.662328
  C      -7.433291      7.785916      4.992599
  N      -8.494063      7.285801      4.388942
  C      -8.241323      6.516942      3.284474
  C      -9.330213      5.966906      2.565123
  C      -9.099186      5.195338      1.444627
  C      -7.779917      4.930570      1.012129
  C      -6.699317      5.440151      1.706667
  C      -6.904602      6.255712      2.847693
  C      -5.936563      2.792161      6.919930
  C      -6.590368      4.177345      6.790640
  C      -8.114781      4.146166      6.672746
  C      -8.656168      3.533401      5.403852
  N      -7.796529      3.149251      4.464738
  C      -8.290797      2.543392      3.355572
  N      -9.551267      2.277293      3.077792
  C     -10.467366      2.711324      3.999724
  C     -11.845018      2.510485      3.747862
  C     -12.790046      2.949741      4.656766
  C     -12.393386      3.597833      5.847368
  C     -11.053269      3.798574      6.122931
  C     -10.062326      3.361406      5.208846
  H      -1.105393      1.461822      2.773448
  H      -2.701591      2.192502      2.535043
  H      -2.258702     -0.590952      3.748790
  H      -2.513061     -0.306610      2.027000
  H      -4.574754     -0.931088      3.666029
  H      -4.519422      0.800222      4.037931
  H      -5.568249      2.980669      0.125480
  H      -7.786405     -0.687592     -1.505026
  H      -7.963054     -3.086673     -0.818511
  H      -6.753898     -3.896440      1.203500
  H      -5.391424     -2.348870      2.550369
  H      -4.450230      6.185045      5.851950
  H      -3.051656      7.097662      6.392872
  H      -2.385297      7.111972      3.820715
  H      -3.614589      8.233722      4.436990
  H      -4.226176      7.021430      2.244303
  H      -4.272624      5.513947      3.164077
  H      -7.617772      8.412174      5.872447
  H     -10.339692      6.171097      2.924712
  H      -9.939167      4.766534      0.895786
  H      -7.620628      4.302809      0.133862
  H      -5.683247      5.218702      1.379567
  H      -6.310817      2.296730      7.836819
  H      -6.251689      2.176233      6.065991
  H      -6.315283      4.793115      7.661966
  H      -6.169782      4.679982      5.907661
  H      -8.551293      3.607781      7.532811
  H      -8.510141      5.174755      6.742766
  H      -7.540780      2.225501      2.625129
  H     -12.127778      2.009516      2.820802
  H     -13.851913      2.797660      4.455247
  H     -13.151845      3.942944      6.552031
  H     -10.755543      4.304404      7.041803
  N      -4.734710      3.366708      4.021294
  H      -5.741283      3.486579      4.203516
  H      -4.628930      2.979432      3.075042
98
Coordinates from ORCA-job orca E -6204.351016254282
  N      -2.087381      2.021250      4.508502
  Mo     -3.313126      3.331988      5.419104
  N      -4.464482      2.791124      6.943530
  C      -3.853232      2.736410      8.265864
  C      -2.409562      2.267446      8.128900
  N      -1.725937      3.027105      7.054264
  C      -0.617545      2.262060      6.433673
  C      -1.166315      1.304277      5.385831
  C      -1.281588      4.375697      7.489217
  C      -1.332369      5.311220      6.282392
  N      -2.643957      5.182683      5.648555
  H      -0.313741      0.900102      4.806882
  H      -1.643203      0.432749      5.879646
  H       0.038097      2.988185      5.933600
  H      -0.025163      1.735134      7.204178
  H      -1.153711      6.347489      6.616651
  H      -0.517211      5.063247      5.577236
  H      -1.992093      4.736887      8.245887
  H      -0.277673      4.324897      7.950796
  H      -4.390010      2.023242      8.919844
  H      -3.892332      3.718977      8.781472
  H      -2.413626      1.211369      7.823656
  H      -1.857729      2.351330      9.083155
  C      -2.112455      1.509313      3.145264
  C      -2.690555      0.088786      2.999072
  C      -4.217497      0.023030      3.240178
  C      -4.997373      0.298364      1.987248
  N      -4.901935      1.527252      1.477320
  C      -5.566247      1.796007      0.327181
  N      -6.340462      0.984399     -0.366034
  C      -6.462586     -0.285297      0.128541
  C      -7.276025     -1.212406     -0.567413
  C      -7.403477     -2.507309     -0.107908
  C      -6.724788     -2.923511      1.059960
  C      -5.931370     -2.038100      1.762139
  C      -5.781959     -0.698183      1.320976
  C      -3.451073      6.404626      5.611231
  C      -3.445302      7.176140      4.277950
  C      -4.477859      6.648470      3.283112
  C      -5.909178      6.907492      3.672637
  N      -6.154588      7.658734      4.743579
  C      -7.450607      7.835358      5.106554
  N      -8.530117      7.353288      4.521748
  C      -8.310988      6.596111      3.402239
  C      -9.421552      6.057902      2.708091
  C      -9.224902      5.295439      1.574924
  C      -7.919845      5.032536      1.101093
  C      -6.818293      5.531993      1.769625
  C      -6.988189      6.333275      2.926349
  C      -5.926495      2.752232      6.914698
  C      -6.570947      4.142971      6.800812
  C      -8.092138      4.121811      6.658743
  C      -8.608746      3.544804      5.363378
  N      -7.728907      3.174104      4.437363
  C      -8.202081      2.599851      3.302401
  N      -9.458614      2.361920      2.983102
  C     -10.393096      2.787442      3.890135
  C     -11.766248      2.618377      3.594142
  C     -12.729199      3.050204      4.487495
  C     -12.355621      3.659243      5.705845
  C     -11.020757      3.829243      6.023920
  C     -10.011598      3.399189      5.126611
  H      -1.076213      1.496254      2.749224
  H      -2.687212      2.197817      2.511787
  H      -2.188205     -0.580078      3.715053
  H      -2.450433     -0.295508      1.994262
  H      -4.496654     -0.948694      3.661798
  H      -4.474331      0.791575      3.988104
  H      -5.441736      2.812769     -0.058905
  H      -7.786808     -0.867442     -1.467392
  H      -8.031117     -3.218264     -0.648096
  H      -6.833115     -3.951385      1.409639
  H      -5.415592     -2.373931      2.661414
  H      -4.491564      6.163285      5.868761
  H      -3.096956      7.076356      6.414359
  H      -2.440705      7.109157      3.831472
  H      -3.644489      8.239366      4.480222
  H      -4.309114      7.075224      2.278816
  H      -4.362588      5.553344      3.174111
  H      -7.607795      8.450924      5.999151
  H     -10.419679      6.261769      3.098378
  H     -10.081464      4.874697      1.046058
  H      -7.788482      4.415981      0.210441
  H      -5.812748      5.311146      1.411171
  H      -6.303980      2.247916      7.825386
  H      -6.243753      2.148682      6.052549
  H      -6.303511      4.742599      7.685741
  H      -6.136233      4.657472      5.931683
  H      -8.545650      3.562924      7.496660
  H      -8.485092      5.149320      6.748802
  H      -7.437844      2.296149      2.580805
  H     -12.030982      2.147765      2.646084
  H     -13.787300      2.923216      4.251762
  H     -13.127751      3.999269      6.397971
  H     -10.740981      4.306008      6.963730
  N      -4.743369      3.325478      4.018970
  H      -5.749521      3.432243      4.207601
  H      -4.642944      2.906394      3.086758
98
Coordinates from ORCA-job orca E -6204.351312586805
  N      -2.075818      2.018755      4.544207
  Mo     -3.300336      3.345150      5.429757
  N      -4.465165      2.819256      6.949411
  C      -3.865157      2.779297      8.277548
  C      -2.423268      2.302453      8.158625
  N      -1.728611      3.045567      7.079978
  C      -0.621369      2.264065      6.476971
  C      -1.170704      1.299047      5.435417
  C      -1.278524      4.395670      7.505325
  C      -1.315192      5.319563      6.289342
  N      -2.622933      5.194759      5.645672
  H      -0.317473      0.881910      4.866719
  H      -1.660418      0.436884      5.932742
  H       0.043485      2.978691      5.972599
  H      -0.039247      1.742399      7.258601
  H      -1.130766      6.357789      6.614537
  H      -0.496973      5.058219      5.592921
  H      -1.991800      4.768724      8.253864
  H      -0.278283      4.342537      7.974375
  H      -4.410019      2.075512      8.935040
  H      -3.905578      3.767961      8.781048
  H      -2.429471      1.242367      7.867210
  H      -1.878092      2.396581      9.115619
  C      -2.092449      1.503989      3.182218
  C      -2.724864      0.108329      3.026533
  C      -4.257803      0.107896      3.232053
  C      -5.002719      0.412294      1.963692
  N      -4.826780      1.626029      1.436845
  C      -5.464438      1.917931      0.277316
  N      -6.283587      1.146239     -0.410312
  C      -6.488550     -0.105939      0.101406
  C      -7.354077     -0.990421     -0.587003
  C      -7.566070     -2.267785     -0.109398
  C      -6.922958     -2.708080      1.069521
  C      -6.079689     -1.863852      1.764598
  C      -5.842741     -0.542957      1.304618
  C      -3.428015      6.418005      5.599466
  C      -3.399435      7.200615      4.273558
  C      -4.389327      6.660527      3.242853
  C      -5.838671      6.867634      3.594099
  N      -6.143414      7.592422      4.667828
  C      -7.455781      7.712842      4.995053
  N      -8.497958      7.196520      4.372947
  C      -8.216717      6.467049      3.248743
  C      -9.283446      5.896259      2.513282
  C      -9.021902      5.155138      1.379050
  C      -7.693715      4.947834      0.943763
  C      -6.634712      5.485279      1.648919
  C      -6.871613      6.264225      2.808697
  C      -5.927475      2.764310      6.913013
  C      -6.594714      4.143272      6.782131
  C      -8.118963      4.094485      6.672241
  C      -8.663282      3.480474      5.405058
  N      -7.808750      3.119722      4.451233
  C      -8.308315      2.517075      3.342700
  N      -9.569381      2.244428      3.072533
  C     -10.480158      2.655150      4.010121
  C     -11.858431      2.449307      3.767162
  C     -12.798856      2.870738      4.689586
  C     -12.396175      3.507068      5.884171
  C     -11.055042      3.715164      6.149719
  C     -10.068992      3.296492      5.221792
  H      -1.050066      1.451682      2.806358
  H      -2.628541      2.211673      2.536274
  H      -2.267720     -0.578616      3.756068
  H      -2.476927     -0.288168      2.028426
  H      -4.588172     -0.848782      3.651208
  H      -4.496944      0.890723      3.970711
  H      -5.274114      2.919170     -0.122566
  H      -7.835936     -0.627574     -1.495832
  H      -8.233809     -2.945941     -0.643697
  H      -7.098427     -3.721537      1.433673
  H      -5.592790     -2.217744      2.673031
  H      -4.473025      6.173751      5.836646
  H      -3.089116      7.084365      6.413184
  H      -2.381649      7.158805      3.855226
  H      -3.626969      8.257201      4.479893
  H      -4.204173      7.108717      2.250941
  H      -4.239027      5.570977      3.120875
  H      -7.662723      8.309041      5.890554
  H     -10.300251      6.054168      2.875713
  H      -9.844177      4.704054      0.821898
  H      -7.509695      4.338498      0.057617
  H      -5.610335      5.306038      1.321812
  H      -6.298554      2.266547      7.829965
  H      -6.236149      2.144829      6.059204
  H      -6.322982      4.763082      7.651850
  H      -6.182614      4.648616      5.896787
  H      -8.541263      3.544575      7.532366
  H      -8.527727      5.117532      6.753492
  H      -7.566161      2.242514      2.586905
  H     -12.145927      1.959053      2.835816
  H     -13.861360      2.714248      4.494970
  H     -13.150491      3.838341      6.599798
  H     -10.753049      4.213203      7.071546
  N      -4.719599      3.328069      4.019428
  H      -5.728822      3.431712      4.199273
  H      -4.612504      2.898079      3.092717
98
Coordinates from ORCA-job orca E -6204.351673611357
  N      -2.048751      2.083875      4.506113
  Mo     -3.278991      3.380825      5.426442
  N      -4.456317      2.795787      6.913976
  C      -3.867869      2.712919      8.245407
  C      -2.421198      2.249328      8.122196
  N      -1.721901      3.035074      7.076932
  C      -0.603517      2.285274      6.453431
  C      -1.137528      1.347991      5.378228
  C      -1.284187      4.371873      7.555735
  C      -1.315509      5.339368      6.374281
  N      -2.615197      5.224441      5.712768
  H      -0.277657      0.958808      4.799785
  H      -1.618799      0.464672      5.845714
  H       0.054439      3.023563      5.974745
  H      -0.018359      1.745644      7.220466
  H      -1.145412      6.366724      6.739758
  H      -0.486271      5.110771      5.679562
  H      -2.005031      4.713427      8.312035
  H      -0.287278      4.307238      8.030194
  H      -4.413120      1.981560      8.871941
  H      -3.920615      3.682209      8.784102
  H      -2.417994      1.200195      7.793058
  H      -1.884739      2.312396      9.086543
  C      -2.074880      1.596914      3.133468
  C      -2.673958      0.187628      2.951817
  C      -4.196270      0.118005      3.220881
  C      -5.015955      0.421781      1.999054
  N      -4.857731      1.630284      1.454485
  C      -5.576905      1.932529      0.346754
  N      -6.462860      1.176168     -0.271512
  C      -6.653659     -0.069686      0.260848
  C      -7.591569     -0.935735     -0.352037
  C      -7.795999     -2.205420      0.148379
  C      -7.073333     -2.656142      1.276143
  C      -6.158185     -1.829908      1.897886
  C      -5.925494     -0.517194      1.412469
  C      -3.423155      6.443377      5.660887
  C      -3.383839      7.221248      4.333823
  C      -4.353029      6.662114      3.291925
  C      -5.811955      6.850928      3.617114
  N      -6.144776      7.575627      4.682122
  C      -7.465247      7.691072      4.978394
  N      -8.490670      7.174156      4.330043
  C      -8.180875      6.448572      3.210786
  C      -9.229320      5.887287      2.441841
  C      -8.939962      5.155180      1.308504
  C      -7.600277      4.942055      0.911278
  C      -6.558963      5.469896      1.649778
  C      -6.824626      6.245438      2.805875
  C      -5.918448      2.736024      6.860597
  C      -6.595248      4.111894      6.742270
  C      -8.118729      4.049389      6.615823
  C      -8.645029      3.444671      5.335890
  N      -7.776899      3.098227      4.388619
  C      -8.256807      2.495129      3.272201
  N      -9.510788      2.202891      2.990112
  C     -10.436365      2.599482      3.919632
  C     -11.808898      2.373977      3.663370
  C     -12.764211      2.777942      4.578644
  C     -12.382037      3.415006      5.779409
  C     -11.046530      3.641858      6.058467
  C     -10.045797      3.242608      5.137713
  H      -1.037172      1.576810      2.742337
  H      -2.635830      2.305282      2.510261
  H      -2.163739     -0.510442      3.634135
  H      -2.453817     -0.162159      1.929995
  H      -4.468958     -0.859672      3.631406
  H      -4.435193      0.872796      3.989288
  H      -5.400591      2.930284     -0.068382
  H      -8.134884     -0.564591     -1.222003
  H      -8.519961     -2.869276     -0.327471
  H      -7.244351     -3.663277      1.659467
  H      -5.611399     -2.191960      2.768106
  H      -4.469448      6.189382      5.879715
  H      -3.102270      7.111118      6.481006
  H      -2.360211      7.186812      3.929186
  H      -3.624018      8.276673      4.531573
  H      -4.157609      7.107927      2.301026
  H      -4.186472      5.574101      3.177669
  H      -7.695113      8.286399      5.868855
  H     -10.255086      6.047296      2.776982
  H      -9.748334      4.711826      0.725320
  H      -7.393843      4.336559      0.027348
  H      -5.526532      5.288874      1.349851
  H      -6.296144      2.221114      7.765303
  H      -6.214345      2.128202      5.994090
  H      -6.338065      4.722083      7.623059
  H      -6.177704      4.632037      5.867897
  H      -8.542165      3.481963      7.464089
  H      -8.540774      5.066078      6.709311
  H      -7.501419      2.219748      2.529727
  H     -12.080448      1.882310      2.727982
  H     -13.822374      2.605961      4.373724
  H     -13.147645      3.731478      6.489771
  H     -10.760638      4.139219      6.985811
  N      -4.682925      3.426244      4.002307
  H      -5.694124      3.522589      4.175664
  H      -4.558788      3.060745      3.049891
98
Coordinates from ORCA-job orca E -6204.352223385332
  N      -1.982068      2.085838      4.499355
  Mo     -3.245070      3.358776      5.407687
  N      -4.431306      2.744779      6.876282
  C      -3.857435      2.663897      8.214485
  C      -2.400511      2.229247      8.106578
  N      -1.703719      3.034351      7.073937
  C      -0.563561      2.308612      6.461481
  C      -1.067263      1.363789      5.378508
  C      -1.297074      4.376942      7.564060
  C      -1.334115      5.351987      6.388161
  N      -2.623555      5.213954      5.711248
  H      -0.193828      0.992992      4.808331
  H      -1.536926      0.469821      5.837505
  H       0.083809      3.061357      5.990931
  H       0.024073      1.779589      7.233983
  H      -1.192099      6.379823      6.764375
  H      -0.490719      5.148007      5.702809
  H      -2.032486      4.699809      8.314310
  H      -0.304180      4.328756      8.048744
  H      -4.396194      1.918250      8.829743
  H      -3.934984      3.628479      8.758431
  H      -2.372731      1.182122      7.772188
  H      -1.877049      2.297524      9.077683
  C      -1.996396      1.598634      3.127450
  C      -2.600753      0.192808      2.940762
  C      -4.115016      0.123853      3.249690
  C      -4.971121      0.460297      2.062452
  N      -4.747360      1.641357      1.481966
  C      -5.500885      1.980480      0.408864
  N      -6.480758      1.289138     -0.140024
  C      -6.742759      0.074547      0.432671
  C      -7.785748     -0.719510     -0.103015
  C      -8.066660     -1.956667      0.439517
  C      -7.318314     -2.445680      1.534144
  C      -6.300955     -1.689266      2.081053
  C      -5.987222     -0.410987      1.551071
  C      -3.449525      6.420495      5.650625
  C      -3.413941      7.200818      4.324310
  C      -4.385910      6.645220      3.282761
  C      -5.843471      6.834101      3.614986
  N      -6.168167      7.551281      4.687347
  C      -7.486317      7.665551      4.994437
  N      -8.516647      7.152552      4.351316
  C      -8.216020      6.433375      3.225501
  C      -9.271311      5.873314      2.465018
  C      -8.992958      5.153731      1.321074
  C      -7.657288      4.952117      0.904489
  C      -6.608707      5.472257      1.638895
  C      -6.863152      6.234977      2.806350
  C      -5.891988      2.673326      6.806851
  C      -6.578852      4.044975      6.698642
  C      -8.099535      3.968597      6.550254
  C      -8.598029      3.386360      5.249295
  N      -7.708317      3.063432      4.313947
  C      -8.160065      2.474735      3.178531
  N      -9.405204      2.174210      2.867256
  C     -10.352832      2.548946      3.783427
  C     -11.717551      2.311888      3.497694
  C     -12.694437      2.688681      4.401583
  C     -12.342234      3.308425      5.620461
  C     -11.014978      3.545275      5.928886
  C      -9.992472      3.174058      5.020394
  H      -0.956495      1.576890      2.742053
  H      -2.553473      2.306946      2.501219
  H      -2.075139     -0.517451      3.598281
  H      -2.407163     -0.139148      1.907783
  H      -4.382908     -0.857741      3.653084
  H      -4.327628      0.867549      4.038126
  H      -5.266544      2.951377     -0.039831
  H      -8.347021     -0.319799     -0.948567
  H      -8.871668     -2.564870      0.023295
  H      -7.550796     -3.426614      1.951624
  H      -5.736590     -2.080085      2.927176
  H      -4.493356      6.151693      5.862504
  H      -3.143787      7.092659      6.473171
  H      -2.391017      7.169542      3.917297
  H      -3.655335      8.255554      4.524982
  H      -4.194042      7.095826      2.293299
  H      -4.220831      5.557904      3.163948
  H      -7.708672      8.254416      5.891104
  H     -10.293650      6.027353      2.813168
  H      -9.806810      4.715649      0.741270
  H      -7.459899      4.363636      0.007201
  H      -5.579335      5.298599      1.324618
  H      -6.274976      2.145495      7.701705
  H      -6.173516      2.072517      5.930566
  H      -6.339232      4.644376      7.591496
  H      -6.154252      4.581520      5.837771
  H      -8.528014      3.377086      7.379389
  H      -8.535328      4.976975      6.661633
  H      -7.386116      2.202936      2.454700
  H     -11.965824      1.832907      2.549364
  H     -13.746423      2.507987      4.173711
  H     -13.124520      3.603032      6.322015
  H     -10.752438      4.027955      6.870767
  N      -4.626457      3.382579      3.960559
  H      -5.641520      3.457848      4.116984
  H      -4.479849      3.016263      3.012255
98
Coordinates from ORCA-job orca E -6204.352842218083
  N      -1.952412      2.100168      4.486697
  Mo     -3.236602      3.350011      5.396984
  N      -4.422526      2.708276      6.854066
  C      -3.854113      2.618630      8.194203
  C      -2.392044      2.203410      8.088477
  N      -1.701430      3.029472      7.068054
  C      -0.547438      2.325778      6.456688
  C      -1.032031      1.383239      5.363678
  C      -1.318898      4.372210      7.575114
  C      -1.361516      5.360321      6.410301
  N      -2.642705      5.211616      5.719845
  H      -0.150668      1.029597      4.794783
  H      -1.491343      0.478514      5.812052
  H       0.091231      3.091817      5.995718
  H       0.043298      1.799202      7.228419
  H      -1.240493      6.385154      6.801528
  H      -0.507788      5.181196      5.730242
  H      -2.066938      4.674446      8.321235
  H      -0.329677      4.334050      8.068210
  H      -4.387026      1.860155      8.798619
  H      -3.944384      3.576449      8.748079
  H      -2.348870      1.160527      7.742953
  H      -1.873950      2.268204      9.062763
  C      -1.953170      1.624520      3.111145
  C      -2.551524      0.218976      2.906667
  C      -4.061337      0.136349      3.222843
  C      -4.936696      0.478263      2.050850
  N      -4.643564      1.604816      1.396102
  C      -5.410077      1.946320      0.333659
  N      -6.464066      1.308836     -0.139481
  C      -6.798936      0.152497      0.510954
  C      -7.927134     -0.577293      0.064270
  C      -8.286620     -1.753751      0.689260
  C      -7.534504     -2.243885      1.780699
  C      -6.434293     -1.548734      2.241821
  C      -6.038581     -0.333179      1.626428
  C      -3.478782      6.413233      5.665466
  C      -3.434220      7.220657      4.354219
  C      -4.388498      6.681359      3.289077
  C      -5.850468      6.850762      3.608044
  N      -6.195198      7.550533      4.685870
  C      -7.517088      7.637206      4.985389
  N      -8.533124      7.107415      4.333102
  C      -8.211526      6.402811      3.203691
  C      -9.249897      5.818378      2.438807
  C      -8.949853      5.107254      1.294954
  C      -7.609018      4.943623      0.879239
  C      -6.576273      5.489057      1.617486
  C      -6.853097      6.238934      2.788177
  C      -5.881041      2.624849      6.778099
  C      -6.574909      3.993386      6.685996
  C      -8.092274      3.906145      6.525569
  C      -8.571957      3.334787      5.214225
  N      -7.669622      3.032147      4.284936
  C      -8.106069      2.452879      3.138396
  N      -9.345771      2.149369      2.809103
  C     -10.305314      2.502453      3.720607
  C     -11.665295      2.257500      3.418171
  C     -12.653718      2.612914      4.317422
  C     -12.318615      3.218828      5.548332
  C     -10.996864      3.463117      5.872528
  C      -9.962457      3.113493      4.969029
  H      -0.909306      1.607400      2.736156
  H      -2.505811      2.335165      2.484433
  H      -2.017446     -0.498710      3.549441
  H      -2.362765     -0.094098      1.867162
  H      -4.320001     -0.849144      3.623833
  H      -4.272269      0.872672      4.019864
  H      -5.116603      2.868767     -0.178201
  H      -8.490360     -0.177198     -0.779691
  H      -9.157734     -2.311992      0.341858
  H      -7.830039     -3.176191      2.264456
  H      -5.869624     -1.938093      3.088527
  H      -4.523134      6.136018      5.864455
  H      -3.184485      7.073757      6.501218
  H      -2.406295      7.206963      3.958978
  H      -3.686747      8.269050      4.573949
  H      -4.188530      7.152865      2.310977
  H      -4.214207      5.597723      3.151170
  H      -7.756111      8.214472      5.885330
  H     -10.276730      5.945029      2.784863
  H      -9.750576      4.649416      0.712230
  H      -7.394783      4.364332     -0.020011
  H      -5.542129      5.343303      1.305018
  H      -6.264616      2.082731      7.664046
  H      -6.154058      2.033978      5.892100
  H      -6.345877      4.580989      7.589357
  H      -6.148582      4.545595      5.836198
  H      -8.521919      3.299668      7.343359
  H      -8.538460      4.908601      6.646041
  H      -7.325937      2.208647      2.413000
  H     -11.900222      1.789857      2.460836
  H     -13.701799      2.426517      4.076579
  H     -13.110002      3.496740      6.246420
  H     -10.747809      3.934945      6.823527
  N      -4.609891      3.361569      3.940655
  H      -5.626559      3.424752      4.087906
  H      -4.452278      2.994402      2.995567
98
Coordinates from ORCA-job orca E -6204.353407668940
  N      -1.921033      2.115650      4.476502
  Mo     -3.221014      3.349624      5.383086
  N      -4.418732      2.684961      6.820093
  C      -3.863152      2.580602      8.164950
  C      -2.398057      2.175079      8.069427
  N      -1.702844      3.019174      7.066646
  C      -0.536326      2.330919      6.461545
  C      -1.002989      1.396422      5.354015
  C      -1.338681      4.358724      7.595012
  C      -1.372820      5.360625      6.441869
  N      -2.643146      5.211834      5.730940
  H      -0.114335      1.054431      4.789520
  H      -1.460000      0.483763      5.788346
  H       0.101736      3.106209      6.015425
  H       0.049141      1.801247      7.235050
  H      -1.265536      6.381213      6.847777
  H      -0.507956      5.198335      5.771521
  H      -2.102029      4.644521      8.331916
  H      -0.356929      4.323057      8.102971
  H      -4.398836      1.812419      8.754140
  H      -3.962853      3.531187      8.729542
  H      -2.343894      1.136913      7.711675
  H      -1.890298      2.231666      9.049687
  C      -1.908517      1.653017      3.096740
  C      -2.500915      0.247868      2.870277
  C      -4.006653      0.138854      3.185826
  C      -4.903941      0.485174      2.031286
  N      -4.574327      1.564205      1.314885
  C      -5.367162      1.906778      0.272667
  N      -6.476475      1.313241     -0.128371
  C      -6.850734      0.209193      0.588647
  C      -8.042796     -0.464651      0.229432
  C      -8.448823     -1.582303      0.929858
  C      -7.681015     -2.066876      2.012374
  C      -6.517392     -1.425425      2.388571
  C      -6.072291     -0.271444      1.693845
  C      -3.487957      6.408681      5.685138
  C      -3.442625      7.230185      4.383215
  C      -4.384142      6.692940      3.305902
  C      -5.849739      6.848671      3.615142
  N      -6.208436      7.541243      4.693171
  C      -7.533412      7.618632      4.981005
  N      -8.540370      7.086102      4.316870
  C      -8.204355      6.390493      3.185821
  C      -9.232412      5.808210      2.405688
  C      -8.917739      5.106177      1.260003
  C      -7.572236      4.951065      0.856567
  C      -6.549566      5.497406      1.607975
  C      -6.841177      6.236546      2.782008
  C      -5.875519      2.593013      6.730174
  C      -6.576113      3.959180      6.650893
  C      -8.092196      3.864397      6.482471
  C      -8.564278      3.300538      5.165857
  N      -7.658933      3.022647      4.232819
  C      -8.088339      2.449635      3.080417
  N      -9.323131      2.128673      2.750396
  C     -10.286493      2.454893      3.667284
  C     -11.643095      2.189818      3.364900
  C     -12.635077      2.520114      4.269056
  C     -12.307688      3.120302      5.505284
  C     -10.989941      3.383819      5.829014
  C      -9.951770      3.060381      4.920130
  H      -0.860216      1.639505      2.734254
  H      -2.453304      2.368709      2.469325
  H      -1.957997     -0.476170      3.498760
  H      -2.311448     -0.043748      1.824911
  H      -4.248672     -0.857382      3.572426
  H      -4.228574      0.856240      3.998405
  H      -5.043714      2.787353     -0.292495
  H      -8.619039     -0.067501     -0.606988
  H      -9.370419     -2.095914      0.650723
  H      -8.014403     -2.951427      2.557358
  H      -5.942798     -1.807322      3.232226
  H      -4.532034      6.124630      5.877666
  H      -3.199501      7.061919      6.528343
  H      -2.411987      7.232458      3.994967
  H      -3.708220      8.272982      4.613546
  H      -4.179907      7.174485      2.333594
  H      -4.201333      5.611795      3.160282
  H      -7.784029      8.190873      5.880993
  H     -10.263255      5.928604      2.741947
  H      -9.710345      4.647954      0.666724
  H      -7.346379      4.377543     -0.043422
  H      -5.512002      5.360168      1.303375
  H      -6.263272      2.037756      7.606099
  H      -6.138025      2.011840      5.834809
  H      -6.355997      4.535974      7.563398
  H      -6.148205      4.525285      5.811005
  H      -8.520801      3.247437      7.293036
  H      -8.545887      4.862784      6.610141
  H      -7.306827      2.229398      2.349920
  H     -11.872014      1.727282      2.403622
  H     -13.680336      2.318291      4.028360
  H     -13.102145      3.377930      6.207588
  H     -10.746941      3.850600      6.784098
  N      -4.573663      3.367213      3.907204
  H      -5.592988      3.422767      4.037591
  H      -4.398427      3.009482      2.962778
98
Coordinates from ORCA-job orca E -6204.353356552810
  N      -1.930412      2.129149      4.479364
  Mo     -3.232995      3.356393      5.384594
  N      -4.432502      2.687164      6.818052
  C      -3.877076      2.566797      8.162392
  C      -2.413989      2.157394      8.065793
  N      -1.717946      3.011618      7.071897
  C      -0.547493      2.328928      6.468453
  C      -1.011647      1.404180      5.351802
  C      -1.361890      4.348465      7.613223
  C      -1.385136      5.355482      6.465081
  N      -2.649065      5.215874      5.738762
  H      -0.123627      1.064843      4.785265
  H      -1.469686      0.488580      5.778527
  H       0.095131      3.106419      6.032927
  H       0.031639      1.792688      7.242019
  H      -1.275946      6.374348      6.874591
  H      -0.516693      5.193782      5.799579
  H      -2.137099      4.627004      8.340463
  H      -0.386628      4.311914      8.133384
  H      -4.418946      1.798220      8.744648
  H      -3.969945      3.513650      8.734422
  H      -2.359093      1.122514      7.699161
  H      -1.907410      2.205937      9.047185
  C      -1.902591      1.683542      3.094190
  C      -2.470173      0.272462      2.840301
  C      -3.975406      0.106028      3.101243
  C      -4.862678      0.435409      1.933887
  N      -4.530388      1.490610      1.182362
  C      -5.323674      1.794796      0.128436
  N      -6.424136      1.175471     -0.264115
  C      -6.800515      0.097617      0.492038
  C      -7.988030     -0.593845      0.155041
  C      -8.404741     -1.672593      0.909687
  C      -7.651558     -2.098781      2.025328
  C      -6.488660     -1.441185      2.378132
  C      -6.033613     -0.327894      1.626555
  C      -3.503765      6.408429      5.715530
  C      -3.461894      7.245613      4.425930
  C      -4.382932      6.703241      3.333488
  C      -5.854504      6.839133      3.625922
  N      -6.235803      7.521351      4.703339
  C      -7.565504      7.588395      4.968843
  N      -8.558596      7.058084      4.281466
  C      -8.199392      6.378559      3.147319
  C      -9.211066      5.812314      2.334532
  C      -8.872356      5.128203      1.184404
  C      -7.518571      4.975113      0.809183
  C      -6.511942      5.511221      1.589157
  C      -6.827896      6.231758      2.768608
  C      -5.889169      2.601081      6.732666
  C      -6.577914      3.975690      6.684528
  C      -8.096750      3.902999      6.528404
  C      -8.590159      3.354805      5.214620
  N      -7.701786      3.093254      4.263571
  C      -8.150941      2.541154      3.108205
  N      -9.389485      2.218175      2.798095
  C     -10.336524      2.523019      3.737983
  C     -11.698233      2.254452      3.457394
  C     -12.673414      2.570072      4.383017
  C     -12.325917      3.158937      5.620408
  C     -11.004334      3.424393      5.922270
  C      -9.982310      3.115045      4.990563
  H      -0.848185      1.681305      2.749913
  H      -2.438482      2.404347      2.463962
  H      -1.925916     -0.444553      3.476142
  H      -2.244077     -0.001823      1.797718
  H      -4.187278     -0.912465      3.451578
  H      -4.261985      0.785216      3.928114
  H      -5.005826      2.659187     -0.464963
  H      -8.558201     -0.236414     -0.703052
  H      -9.326103     -2.196085      0.649362
  H      -7.994086     -2.951076      2.614389
  H      -5.926355     -1.774774      3.250396
  H      -4.547654      6.119604      5.907088
  H      -3.213336      7.050635      6.565974
  H      -2.427873      7.273951      4.048391
  H      -3.751024      8.278964      4.669102
  H      -4.173003      7.195954      2.367988
  H      -4.184433      5.625889      3.179991
  H      -7.835277      8.151821      5.868834
  H     -10.249001      5.930987      2.648909
  H      -9.652118      4.679148      0.567703
  H      -7.273013      4.410334     -0.091162
  H      -5.468773      5.379708      1.302216
  H      -6.276509      2.033113      7.600632
  H      -6.160769      2.038141      5.829013
  H      -6.345386      4.531579      7.606998
  H      -6.151040      4.554999      5.852849
  H      -8.527289      3.286943      7.338475
  H      -8.535030      4.908212      6.663353
  H      -7.381880      2.337029      2.360994
  H     -11.942828      1.802399      2.494966
  H     -13.722132      2.366243      4.159499
  H     -13.108593      3.405002      6.339738
  H     -10.745391      3.882281      6.877491
  N      -4.574462      3.380056      3.896832
  H      -5.595217      3.438646      4.013946
  H      -4.389167      3.027789      2.953972
98
Coordinates from ORCA-job orca E -6204.354261390881
  N      -1.904205      2.151183      4.455133
  Mo     -3.224326      3.347248      5.376205
  N      -4.421083      2.636994      6.791737
  C      -3.871532      2.500670      8.136520
  C      -2.401986      2.114511      8.038851
  N      -1.713611      2.995335      7.062671
  C      -0.530972      2.340707      6.451293
  C      -0.975908      1.426841      5.317439
  C      -1.377993      4.327229      7.628861
  C      -1.409803      5.354129      6.499131
  N      -2.667864      5.208685      5.763856
  H      -0.080495      1.113155      4.747510
  H      -1.419082      0.495937      5.726571
  H       0.099621      3.136033      6.030637
  H       0.055105      1.801322      7.217474
  H      -1.318092      6.366711      6.928443
  H      -0.535031      5.216888      5.836545
  H      -2.159139      4.583062      8.358102
  H      -0.404168      4.294470      8.151818
  H      -4.404347      1.712887      8.701628
  H      -3.982630      3.435066      8.725680
  H      -2.331105      1.087143      7.654072
  H      -1.899980      2.152383      9.022988
  C      -1.875543      1.724462      3.064301
  C      -2.436863      0.314714      2.797030
  C      -3.930726      0.134810      3.103249
  C      -4.857316      0.486757      1.973770
  N      -4.490783      1.485978      1.165847
  C      -5.317630      1.812848      0.144816
  N      -6.479884      1.264800     -0.165256
  C      -6.892971      0.247232      0.652255
  C      -8.144898     -0.363751      0.404213
  C      -8.601955     -1.374538      1.225821
  C      -7.825932     -1.811874      2.321466
  C      -6.598585     -1.235086      2.585415
  C      -6.099244     -0.193635      1.762129
  C      -3.530191      6.394478      5.735461
  C      -3.476374      7.239246      4.450997
  C      -4.374210      6.694276      3.340367
  C      -5.852170      6.811721      3.607514
  N      -6.260176      7.475644      4.686255
  C      -7.595146      7.522218      4.930154
  N      -8.569653      6.988548      4.219527
  C      -8.182766      6.327351      3.083892
  C      -9.173301      5.756444      2.248541
  C      -8.806633      5.087740      1.098110
  C      -7.444401      4.952873      0.746158
  C      -6.458105      5.493079      1.548991
  C      -6.803266      6.200639      2.727948
  C      -5.876549      2.543371      6.696076
  C      -6.573100      3.913497      6.653133
  C      -8.089740      3.831300      6.484676
  C      -8.565450      3.291347      5.160153
  N      -7.666011      3.057106      4.211173
  C      -8.098793      2.515731      3.044408
  N      -9.329939      2.177890      2.721101
  C     -10.288065      2.453293      3.659142
  C     -11.642855      2.164762      3.366099
  C     -12.629446      2.450269      4.289787
  C     -12.300147      3.028103      5.537185
  C     -10.985192      3.312196      5.851617
  C      -9.951772      3.032815      4.922808
  H      -0.823072      1.733555      2.714148
  H      -2.420588      2.449214      2.446542
  H      -1.868483     -0.411713      3.399947
  H      -2.241166      0.066579      1.741571
  H      -4.127945     -0.890203      3.440490
  H      -4.193243      0.796034      3.953280
  H      -4.973768      2.633453     -0.494297
  H      -8.731282      0.002937     -0.439011
  H      -9.573083     -1.834265      1.035127
  H      -8.201587     -2.608790      2.965290
  H      -6.019649     -1.575354      3.443607
  H      -4.573648      6.095080      5.909178
  H      -3.258523      7.034072      6.594297
  H      -2.436827      7.278630      4.089933
  H      -3.778179      8.268958      4.694745
  H      -4.153800      7.195872      2.381888
  H      -4.160845      5.620140      3.182930
  H      -7.887131      8.070051      5.832873
  H     -10.217812      5.859002      2.546294
  H      -9.570209      4.635287      0.463732
  H      -7.176139      4.397328     -0.153602
  H      -5.408332      5.374452      1.280593
  H      -6.266950      1.965048      7.555849
  H      -6.138020      1.987062      5.785080
  H      -6.350271      4.464538      7.580896
  H      -6.143746      4.500118      5.827922
  H      -8.522059      3.204745      7.285593
  H      -8.537323      4.831521      6.625194
  H      -7.322317      2.340027      2.297056
  H     -11.873294      1.722129      2.395839
  H     -13.673037      2.231360      4.056736
  H     -13.091701      3.250808      6.254485
  H     -10.740500      3.761135      6.814806
  N      -4.561788      3.380987      3.881923
  H      -5.582954      3.443553      3.994742
  H      -4.369793      3.039171      2.936289
98
Coordinates from ORCA-job orca E -6204.354673753976
  N      -1.897610      2.166079      4.435043
  Mo     -3.230914      3.338535      5.366555
  N      -4.427457      2.601299      6.768670
  C      -3.881934      2.449928      8.113106
  C      -2.408577      2.078252      8.015036
  N      -1.724026      2.977949      7.053563
  C      -0.532909      2.343135      6.437854
  C      -0.963641      1.440632      5.289882
  C      -1.400763      4.304786      7.637928
  C      -1.435695      5.345615      6.521511
  N      -2.689208      5.199807      5.779159
  H      -0.062804      1.145820      4.718352
  H      -1.397007      0.498812      5.684469
  H       0.091585      3.150438      6.031170
  H       0.055709      1.798746      7.198609
  H      -1.354348      6.353070      6.964934
  H      -0.556806      5.224382      5.860959
  H      -2.185822      4.546162      8.367934
  H      -0.428484      4.272582      8.163753
  H      -4.409665      1.648944      8.664527
  H      -4.004513      3.374287      8.715980
  H      -2.327784      1.057212      7.615679
  H      -1.910194      2.106053      9.001325
  C      -1.863059      1.755188      3.039737
  C      -2.395968      0.337680      2.760370
  C      -3.879077      0.117406      3.087097
  C      -4.831384      0.466551      1.977910
  N      -4.463442      1.431813      1.132049
  C      -5.308297      1.745160      0.121041
  N      -6.482766      1.204912     -0.151780
  C      -6.896612      0.220722      0.705371
  C      -8.157293     -0.385648      0.492853
  C      -8.616183     -1.359333      1.356970
  C      -7.834128     -1.761654      2.461896
  C      -6.595872     -1.192291      2.688629
  C      -6.092806     -0.192069      1.818303
  C      -3.552264      6.384847      5.753871
  C      -3.486100      7.243813      4.478833
  C      -4.374495      6.712284      3.354842
  C      -5.854066      6.830556      3.609893
  N      -6.270528      7.483281      4.692134
  C      -7.607580      7.528858      4.924989
  N      -8.576581      7.004339      4.200233
  C      -8.180423      6.353613      3.061940
  C      -9.163787      5.789187      2.214040
  C      -8.787223      5.124828      1.064392
  C      -7.421976      4.989316      0.724751
  C      -6.442684      5.525600      1.538587
  C      -6.798041      6.227924      2.717392
  C      -5.883288      2.514240      6.669114
  C      -6.574192      3.887380      6.640057
  C      -8.091327      3.815262      6.474191
  C      -8.571415      3.292235      5.144007
  N      -7.675498      3.074934      4.187485
  C      -8.112517      2.553082      3.013100
  N      -9.344832      2.220559      2.689235
  C     -10.298937      2.476478      3.636654
  C     -11.654208      2.188498      3.345204
  C     -12.637129      2.455095      4.278398
  C     -12.303630      3.013055      5.533714
  C     -10.988023      3.295751      5.846780
  C      -9.958181      3.034592      4.908706
  H      -0.811840      1.787964      2.686903
  H      -2.423297      2.476246      2.431335
  H      -1.800765     -0.383984      3.342697
  H      -2.211890      0.111008      1.698015
  H      -4.046154     -0.919590      3.405203
  H      -4.147101      0.752522      3.955325
  H      -4.965800      2.541911     -0.548192
  H      -8.749408     -0.043769     -0.356798
  H      -9.594602     -1.814449      1.194420
  H      -8.212901     -2.526834      3.141378
  H      -6.010424     -1.507002      3.552351
  H      -4.596690      6.083111      5.914784
  H      -3.289486      7.015829      6.621954
  H      -2.443178      7.285409      4.127843
  H      -3.788924      8.271486      4.730442
  H      -4.144818      7.222457      2.403046
  H      -4.161532      5.639306      3.189165
  H      -7.906801      8.066413      5.831539
  H     -10.210824      5.890253      2.503343
  H      -9.545492      4.676152      0.421025
  H      -7.145723      4.435995     -0.173893
  H      -5.390603      5.405537      1.280132
  H      -6.277603      1.927808      7.521613
  H      -6.145339      1.969123      5.751233
  H      -6.346200      4.429167      7.572065
  H      -6.144290      4.478975      5.818886
  H      -8.526637      3.184762      7.270101
  H      -8.532306      4.816976      6.623812
  H      -7.339040      2.396046      2.257722
  H     -11.887849      1.762073      2.368481
  H     -13.681221      2.236960      4.046866
  H     -13.092631      3.221554      6.258059
  H     -10.740118      3.729546      6.816061
  N      -4.560820      3.378678      3.862247
  H      -5.582329      3.447421      3.967265
  H      -4.360151      3.044138      2.916048
98
Coordinates from ORCA-job orca E -6204.355104213883
  N      -1.917764      2.170373      4.426444
  Mo     -3.253516      3.326506      5.372371
  N      -4.436735      2.579924      6.781211
  C      -3.883969      2.427856      8.121778
  C      -2.408802      2.064816      8.013228
  N      -1.733883      2.968544      7.049121
  C      -0.543377      2.341159      6.423858
  C      -0.973700      1.445472      5.270378
  C      -1.408738      4.295777      7.631779
  C      -1.450135      5.334540      6.513763
  N      -2.709336      5.189237      5.782593
  H      -0.073509      1.162561      4.691915
  H      -1.398053      0.497338      5.659855
  H       0.077702      3.153308      6.022019
  H       0.049915      1.792747      7.178158
  H      -1.360529      6.343386      6.952404
  H      -0.578703      5.205468      5.844914
  H      -2.187097      4.538519      8.368591
  H      -0.432517      4.264190      8.150493
  H      -4.403514      1.621465      8.673557
  H      -4.010836      3.349117      8.728841
  H      -2.326007      1.045173      7.610685
  H      -1.904095      2.092320      8.996201
  C      -1.880777      1.778563      3.025464
  C      -2.379019      0.352990      2.733976
  C      -3.852766      0.099111      3.076346
  C      -4.816837      0.477901      1.985253
  N      -4.439555      1.425357      1.128030
  C      -5.290024      1.743988      0.121476
  N      -6.465158      1.207803     -0.146693
  C      -6.885522      0.235315      0.721114
  C      -8.140384     -0.381244      0.502781
  C      -8.605492     -1.340216      1.379870
  C      -7.838157     -1.713462      2.505697
  C      -6.602550     -1.138378      2.734397
  C      -6.091391     -0.159877      1.845706
  C      -3.567825      6.376409      5.762586
  C      -3.496447      7.236828      4.488608
  C      -4.371039      6.698574      3.358088
  C      -5.852987      6.816621      3.595383
  N      -6.282674      7.460928      4.677030
  C      -7.623052      7.507756      4.891336
  N      -8.583177      6.994826      4.146944
  C      -8.172414      6.350793      3.010343
  C      -9.144187      5.793946      2.144537
  C      -8.752105      5.130130      0.999896
  C      -7.382219      4.988535      0.682677
  C      -6.414034      5.520238      1.512603
  C      -6.785635      6.221796      2.686471
  C      -5.894514      2.500968      6.689454
  C      -6.577509      3.877395      6.666317
  C      -8.095354      3.818593      6.503809
  C      -8.576782      3.302791      5.170246
  N      -7.681132      3.099997      4.209948
  C      -8.117268      2.595903      3.027036
  N      -9.349686      2.267777      2.699294
  C     -10.302514      2.501405      3.653546
  C     -11.656147      2.207560      3.360976
  C     -12.638481      2.449451      4.301825
  C     -12.305907      2.988496      5.565412
  C     -10.991512      3.276580      5.879839
  C      -9.962160      3.038925      4.934832
  H      -0.834134      1.844583      2.663346
  H      -2.463548      2.495783      2.433153
  H      -1.759417     -0.361978      3.298523
  H      -2.205593      0.145935      1.666052
  H      -4.001992     -0.957070      3.342752
  H      -4.124580      0.683185      3.977452
  H      -4.946638      2.537184     -0.551306
  H      -8.723647     -0.059418     -0.360791
  H      -9.579456     -1.803621      1.213475
  H      -8.225112     -2.462403      3.198567
  H      -6.023471     -1.434868      3.609639
  H      -4.612562      6.077022      5.921440
  H      -3.304339      7.005017      6.632689
  H      -2.450546      7.284007      4.147025
  H      -3.808470      8.262972      4.736288
  H      -4.132185      7.204427      2.406159
  H      -4.154125      5.625356      3.200457
  H      -7.933885      8.035545      5.799765
  H     -10.195200      5.895953      2.418666
  H      -9.502246      4.686721      0.343434
  H      -7.092739      4.435167     -0.211909
  H      -5.358429      5.395772      1.271282
  H      -6.287701      1.913306      7.541709
  H      -6.163825      1.960122      5.770473
  H      -6.341227      4.417443      7.597330
  H      -6.147791      4.465408      5.842706
  H      -8.538470      3.196443      7.301131
  H      -8.524653      4.826048      6.648124
  H      -7.341487      2.450946      2.269864
  H     -11.889017      1.796442      2.377543
  H     -13.681494      2.226167      4.070332
  H     -13.094985      3.178387      6.294831
  H     -10.744015      3.696301      6.855378
  N      -4.593991      3.362263      3.872411
  H      -5.613653      3.443868      3.982047
  H      -4.397255      3.030478      2.924814
98
Coordinates from ORCA-job orca E -6204.355480342350
  N      -1.909004      2.183462      4.414193
  Mo     -3.261542      3.310940      5.367889
  N      -4.441841      2.536292      6.764142
  C      -3.892063      2.372201      8.104366
  C      -2.412921      2.026412      7.996311
  N      -1.744867      2.949552      7.046015
  C      -0.544560      2.342698      6.418864
  C      -0.959426      1.458155      5.251323
  C      -1.436722      4.273402      7.645541
  C      -1.482557      5.324147      6.538754
  N      -2.736483      5.175056      5.798714
  H      -0.053645      1.194719      4.672516
  H      -1.373855      0.499531      5.625518
  H       0.070709      3.166283      6.031758
  H       0.050087      1.790244      7.169106
  H      -1.404484      6.328952      6.988555
  H      -0.606481      5.210271      5.873133
  H      -2.221316      4.499731      8.381005
  H      -0.463013      4.245915      8.169282
  H      -4.404978      1.553298      8.643934
  H      -4.030908      3.283938      8.723172
  H      -2.317765      1.012890      7.581103
  H      -1.911680      2.046930      8.981213
  C      -1.860871      1.814736      3.007250
  C      -2.333373      0.385838      2.691381
  C      -3.797995      0.095935      3.035991
  C      -4.783109      0.485640      1.965531
  N      -4.405607      1.396472      1.070070
  C      -5.280558      1.713237      0.083226
  N      -6.475817      1.199525     -0.135904
  C      -6.896481      0.265284      0.773696
  C      -8.173871     -0.321777      0.613425
  C      -8.641632     -1.231415      1.540612
  C      -7.855020     -1.581819      2.660252
  C      -6.596447     -1.036690      2.831636
  C      -6.082399     -0.112002      1.889237
  C      -3.601846      6.357270      5.778752
  C      -3.520521      7.227800      4.512551
  C      -4.373129      6.687592      3.366068
  C      -5.859657      6.793527      3.581203
  N      -6.309835      7.425965      4.661445
  C      -7.653862      7.466228      4.853734
  N      -8.599663      6.959182      4.087556
  C      -8.167752      6.326626      2.952268
  C      -9.123126      5.776871      2.063925
  C      -8.709915      5.122871      0.921090
  C      -7.334344      4.984685      0.627848
  C      -6.381746      5.511569      1.478826
  C      -6.775101      6.203010      2.651689
  C      -5.899919      2.464596      6.671008
  C      -6.574371      3.845600      6.669058
  C      -8.093014      3.800344      6.509757
  C      -8.580210      3.302004      5.171730
  N      -7.688417      3.114789      4.205370
  C      -8.128702      2.629102      3.016265
  N      -9.361722      2.304186      2.688709
  C     -10.310592      2.519751      3.650670
  C     -11.664689      2.225931      3.359733
  C     -12.643107      2.449636      4.308860
  C     -12.306323      2.970051      5.579267
  C     -10.991585      3.257624      5.892053
  C      -9.965917      3.038039      4.938697
  H      -0.814500      1.905792      2.649446
  H      -2.453739      2.531879      2.425375
  H      -1.696155     -0.327399      3.238338
  H      -2.163774      0.203759      1.618679
  H      -3.926312     -0.972126      3.267154
  H      -4.075219      0.640855      3.959677
  H      -4.939528      2.481620     -0.619152
  H      -8.772877     -0.015109     -0.244811
  H      -9.632749     -1.671729      1.419121
  H      -8.245399     -2.288420      3.394499
  H      -6.002154     -1.312580      3.703444
  H      -4.646964      6.050794      5.922377
  H      -3.352344      6.980330      6.656878
  H      -2.470162      7.287977      4.187037
  H      -3.846924      8.248855      4.762521
  H      -4.123794      7.199238      2.419998
  H      -4.145238      5.616821      3.207316
  H      -7.981641      7.983955      5.761983
  H     -10.179034      5.875111      2.320079
  H      -9.447762      4.684105      0.247793
  H      -7.027797      4.437510     -0.264719
  H      -5.321944      5.389959      1.255300
  H      -6.295790      1.866183      7.514536
  H      -6.171971      1.938739      5.744142
  H      -6.331528      4.371564      7.606431
  H      -6.143436      4.441426      5.851589
  H      -8.540001      3.175388      7.302319
  H      -8.513375      4.810682      6.662348
  H      -7.355097      2.495023      2.255600
  H     -11.900757      1.829583      2.371025
  H     -13.686471      2.226255      4.079075
  H     -13.092694      3.145759      6.315108
  H     -10.740825      3.663170      6.872733
  N      -4.593697      3.346766      3.857937
  H      -5.613853      3.428598      3.959742
  H      -4.386405      3.026601      2.909603
98
Coordinates from ORCA-job orca E -6204.355856468231
  N      -1.903100      2.197870      4.398818
  Mo     -3.271782      3.296197      5.361005
  N      -4.450664      2.493850      6.743538
  C      -3.904883      2.320114      8.083971
  C      -2.422404      1.989185      7.978229
  N      -1.758783      2.928542      7.041160
  C      -0.550672      2.337671      6.413110
  C      -0.952564      1.467486      5.230396
  C      -1.463493      4.247910      7.656579
  C      -1.512281      5.309861      6.560536
  N      -2.762515      5.160118      5.813502
  H      -0.041434      1.220071      4.653031
  H      -1.362050      0.500338      5.587602
  H       0.063042      3.169833      6.042215
  H       0.041848      1.777772      7.159449
  H      -1.442449      6.310521      7.020533
  H      -0.632525      5.207908      5.897758
  H      -2.252570      4.460165      8.391540
  H      -0.491934      4.222041      8.184508
  H      -4.411664      1.490142      8.612581
  H      -4.055116      3.223396      8.712420
  H      -2.316694      0.981050      7.552290
  H      -1.925386      2.003129      8.965390
  C      -1.843804      1.851877      2.986380
  C      -2.286310      0.417531      2.651581
  C      -3.741857      0.098323      3.001369
  C      -4.749951      0.494559      1.952867
  N      -4.386643      1.380488      1.026705
  C      -5.289700      1.691966      0.062798
  N      -6.499233      1.192180     -0.106953
  C      -6.905312      0.283624      0.835938
  C      -8.198273     -0.281711      0.734912
  C      -8.649878     -1.159593      1.700493
  C      -7.831292     -1.498996      2.800001
  C      -6.557677     -0.973411      2.914649
  C      -6.061386     -0.081813      1.932207
  C      -3.630668      6.340145      5.793731
  C      -3.535178      7.222246      4.536854
  C      -4.367227      6.684586      3.373735
  C      -5.857748      6.784693      3.565877
  N      -6.326322      7.407251      4.643901
  C      -7.673668      7.447354      4.813278
  N      -8.606297      6.950682      4.025003
  C      -8.155236      6.326783      2.892141
  C      -9.095528      5.787270      1.981695
  C      -8.663230      5.137950      0.843354
  C      -7.283000      4.995736      0.575786
  C      -6.344554      5.515620      1.446679
  C      -6.757529      6.201264      2.616283
  C      -5.908969      2.428226      6.647997
  C      -6.576874      3.812657      6.663925
  C      -8.096762      3.778403      6.509350
  C      -8.593923      3.293757      5.169963
  N      -7.710132      3.121978      4.194312
  C      -8.159645      2.654543      3.001309
  N      -9.395262      2.337266      2.677106
  C     -10.336286      2.536370      3.649781
  C     -11.692852      2.248651      3.364091
  C     -12.663542      2.455985      4.324530
  C     -12.316478      2.953841      5.601277
  C     -10.999424      3.235602      5.908733
  C      -9.981209      3.032283      4.943921
  H      -0.799578      1.973822      2.631422
  H      -2.452702      2.563968      2.415233
  H      -1.632919     -0.289605      3.187336
  H      -2.120354      0.252044      1.576043
  H      -3.854854     -0.977867      3.203657
  H      -4.014168      0.611845      3.943263
  H      -4.960962      2.443792     -0.663119
  H      -8.822336      0.016235     -0.108303
  H      -9.652368     -1.583915      1.624439
  H      -8.209718     -2.178578      3.565422
  H      -5.937923     -1.235421      3.772573
  H      -4.677303      6.029761      5.919713
  H      -3.394808      6.955551      6.680809
  H      -2.480321      7.291868      4.228193
  H      -3.872391      8.238802      4.789904
  H      -4.104641      7.200308      2.433671
  H      -4.133203      5.615056      3.214629
  H      -8.016459      7.957254      5.720376
  H     -10.155775      5.887685      2.218321
  H      -9.389981      4.705445      0.154146
  H      -6.961558      4.450370     -0.312327
  H      -5.281160      5.390856      1.242597
  H      -6.307061      1.819851      7.483455
  H      -6.181797      1.915797      5.714144
  H      -6.327732      4.327455      7.605747
  H      -6.145862      4.414603      5.850687
  H      -8.545553      3.152502      7.299822
  H      -8.508660      4.791771      6.668298
  H      -7.391492      2.529178      2.234806
  H     -11.936860      1.870027      2.370382
  H     -13.708802      2.237103      4.099132
  H     -13.096947      3.116760      6.346258
  H     -10.740876      3.624305      6.894200
  N      -4.597199      3.333946      3.843944
  H      -5.617377      3.418562      3.941394
  H      -4.382833      3.027292      2.893477
98
Coordinates from ORCA-job orca E -6204.356237037886
  N      -1.905176      2.218985      4.379096
  Mo     -3.287839      3.284302      5.356822
  N      -4.460342      2.449652      6.726356
  C      -3.914583      2.263057      8.064825
  C      -2.428740      1.948801      7.956304
  N      -1.773411      2.907790      7.033412
  C      -0.558694      2.336782      6.399250
  C      -0.949889      1.483430      5.200730
  C      -1.490930      4.220902      7.667777
  C      -1.547824      5.297348      6.586443
  N      -2.795599      5.146534      5.834940
  H      -0.034774      1.254874      4.621881
  H      -1.351584      0.506482      5.539502
  H       0.050494      3.179294      6.044543
  H       0.035321      1.768800      7.138212
  H      -1.487789      6.292278      7.060088
  H      -0.665685      5.211980      5.924435
  H      -2.282105      4.415759      8.405406
  H      -0.519745      4.196433      8.196437
  H      -4.412875      1.420321      8.581505
  H      -4.075109      3.155890      8.705590
  H      -2.312474      0.947700      7.516548
  H      -1.933116      1.953760      8.944234
  C      -1.838445      1.897462      2.961062
  C      -2.249990      0.458148      2.608633
  C      -3.694308      0.107622      2.969247
  C      -4.725481      0.498971      1.941873
  N      -4.379745      1.357483      0.983746
  C      -5.308044      1.653443      0.038510
  N      -6.526298      1.160983     -0.084510
  C      -6.914322      0.280817      0.892942
  C      -8.214573     -0.274079      0.844663
  C      -8.645216     -1.122239      1.846093
  C      -7.798013     -1.441659      2.929507
  C      -6.516812     -0.925257      2.993339
  C      -6.042747     -0.064390      1.973477
  C      -3.665620      6.324354      5.813895
  C      -3.552696      7.218327      4.567277
  C      -4.359153      6.682206      3.385236
  C      -5.853999      6.771736      3.549970
  N      -6.346211      7.380097      4.625320
  C      -7.697037      7.414531      4.768082
  N      -8.611887      6.927134      3.954103
  C      -8.136104      6.317891      2.823208
  C      -9.056211      5.790113      1.885679
  C      -8.599233      5.152730      0.750325
  C      -7.213538      5.011475      0.512480
  C      -6.294136      5.521976      1.408925
  C      -6.732678      6.195629      2.576192
  C      -5.919106      2.391748      6.632209
  C      -6.578747      3.779977      6.672707
  C      -8.099647      3.759136      6.524231
  C      -8.606436      3.297387      5.180561
  N      -7.729703      3.146301      4.195644
  C      -8.188025      2.706379      2.995402
  N      -9.426531      2.400277      2.671946
  C     -10.360233      2.576203      3.655837
  C     -11.719177      2.296825      3.372842
  C     -12.682590      2.480973      4.344983
  C     -12.325794      2.946929      5.631146
  C     -11.006509      3.220329      5.935843
  C      -9.995330      3.040265      4.959117
  H      -0.798121      2.050976      2.607128
  H      -2.465524      2.603258      2.401688
  H      -1.577814     -0.241128      3.131079
  H      -2.090777      0.308840      1.529857
  H      -3.788683     -0.974299      3.151654
  H      -3.960808      0.598227      3.924464
  H      -4.992374      2.383142     -0.715221
  H      -8.861596      0.008590      0.013674
  H      -9.653501     -1.538048      1.811151
  H      -8.160482     -2.096879      3.723413
  H      -5.873321     -1.168236      3.839074
  H      -4.713350      6.009914      5.918713
  H      -3.446037      6.931283      6.710936
  H      -2.492885      7.298377      4.278792
  H      -3.902302      8.230104      4.822117
  H      -4.082235      7.203861      2.452743
  H      -4.115325      5.614929      3.225314
  H      -8.059230      7.911624      5.674735
  H     -10.121395      5.888613      2.099741
  H      -9.310928      4.728122      0.040791
  H      -6.872861      4.474340     -0.373358
  H      -5.226510      5.398537      1.227074
  H      -6.318501      1.771013      7.458013
  H      -6.195269      1.896705      5.690191
  H      -6.321695      4.278894      7.620824
  H      -6.147824      4.391008      5.866024
  H      -8.550178      3.127271      7.308759
  H      -8.502440      4.774401      6.696225
  H      -7.424855      2.595317      2.221854
  H     -11.970704      1.943040      2.371882
  H     -13.729639      2.268419      4.121867
  H     -13.100619      3.091735      6.385695
  H     -10.740692      3.584578      6.928680
  N      -4.612952      3.326515      3.838604
  H      -5.632747      3.412556      3.936953
  H      -4.396502      3.034779      2.884254
98
Coordinates from ORCA-job orca E -6204.356634744006
  N      -1.914610      2.243512      4.356987
  Mo     -3.307798      3.277794      5.352225
  N      -4.473097      2.412352      6.710452
  C      -3.925954      2.216021      8.046760
  C      -2.437487      1.915399      7.934585
  N      -1.789593      2.890643      7.023130
  C      -0.571143      2.335068      6.382074
  C      -0.956701      1.499805      5.168864
  C      -1.515426      4.197193      7.674175
  C      -1.580042      5.286202      6.606507
  N      -2.827492      5.136335      5.854276
  H      -0.039083      1.285398      4.588426
  H      -1.354871      0.515442      5.489527
  H       0.036597      3.184829      6.042182
  H       0.022637      1.757206      7.113391
  H      -1.526326      6.275953      7.091979
  H      -0.697328      5.214203      5.943632
  H      -2.306837      4.377115      8.415505
  H      -0.543778      4.172759      8.201783
  H      -4.416441      1.363190      8.554581
  H      -4.093681      3.100743      8.696841
  H      -2.312787      0.920210      7.483812
  H      -1.942178      1.912977      8.922647
  C      -1.842538      1.941657      2.934427
  C      -2.227302      0.496553      2.574292
  C      -3.664401      0.131892      2.944852
  C      -4.708749      0.517119      1.933078
  N      -4.371648      1.344328      0.944565
  C      -5.316239      1.623616      0.010394
  N      -6.544671      1.148088     -0.071228
  C      -6.924201      0.302239      0.939501
  C      -8.232852     -0.233568      0.937422
  C      -8.649520     -1.052097      1.969392
  C      -7.779607     -1.361781      3.037186
  C      -6.490013     -0.862374      3.057081
  C      -6.031610     -0.030103      2.006715
  C      -3.696325      6.313304      5.833941
  C      -3.563674      7.219372      4.598761
  C      -4.337323      6.681132      3.395757
  C      -5.836829      6.752584      3.526854
  N      -6.360249      7.344111      4.596224
  C      -7.714742      7.363873      4.707487
  N      -8.604628      6.880247      3.864814
  C      -8.095749      6.289967      2.738043
  C      -8.987770      5.769671      1.769847
  C      -8.497488      5.144669      0.641639
  C      -7.105373      5.007892      0.442159
  C      -6.212560      5.514683      1.366962
  C      -6.685849      6.177317      2.526858
  C      -5.932416      2.361220      6.619424
  C      -6.585610      3.751982      6.686359
  C      -8.107606      3.740616      6.546788
  C      -8.626323      3.298837      5.201578
  N      -7.760366      3.178292      4.203143
  C      -8.230750      2.767942      2.996906
  N      -9.471905      2.465439      2.679712
  C     -10.394155      2.604903      3.680105
  C     -11.754745      2.323863      3.406157
  C     -12.706904      2.471880      4.395081
  C     -12.336901      2.902515      5.689893
  C     -11.016027      3.177350      5.985580
  C     -10.015956      3.034541      4.991398
  H      -0.807192      2.124167      2.580904
  H      -2.488156      2.637894      2.382984
  H      -1.544345     -0.193103      3.094893
  H      -2.070062      0.349882      1.494766
  H      -3.753917     -0.951662      3.120781
  H      -3.919778      0.618199      3.904993
  H      -5.002893      2.320735     -0.774228
  H      -8.898533      0.040809      0.118611
  H      -9.665193     -1.451135      1.971235
  H      -8.131048     -1.995041      3.853567
  H      -5.826105     -1.093430      3.889812
  H      -4.744930      5.996562      5.915531
  H      -3.492827      6.909896      6.741844
  H      -2.498870      7.313783      4.333956
  H      -3.930273      8.224918      4.853906
  H      -4.044829      7.208847      2.471720
  H      -4.078499      5.617320      3.237681
  H      -8.102570      7.844571      5.612366
  H     -10.058715      5.861508      1.955892
  H      -9.188028      4.723604     -0.090532
  H      -6.739053      4.478037     -0.437817
  H      -5.139751      5.396971      1.213255
  H      -6.331746      1.726784      7.434919
  H      -6.211842      1.885122      5.668990
  H      -6.320461      4.234705      7.640398
  H      -6.156511      4.372768      5.886011
  H      -8.555805      3.101809      7.327044
  H      -8.504072      4.756477      6.731386
  H      -7.477220      2.686029      2.209607
  H     -12.016608      1.997498      2.398543
  H     -13.755118      2.258021      4.178768
  H     -13.102586      3.018526      6.458649
  H     -10.740517      3.513685      6.985578
  N      -4.640496      3.325195      3.842080
  H      -5.659460      3.410971      3.949868
  H      -4.430463      3.054725      2.880016
98
Coordinates from ORCA-job orca E -6204.357035055768
  N      -1.922147      2.264087      4.332181
  Mo     -3.324147      3.269088      5.344141
  N      -4.480189      2.371144      6.689882
  C      -3.930439      2.161889      8.022962
  C      -2.438869      1.878240      7.905799
  N      -1.801055      2.872574      7.007678
  C      -0.577872      2.337655      6.357870
  C      -0.956185      1.517712      5.132158
  C      -1.537331      4.172081      7.676834
  C      -1.612652      5.275270      6.624823
  N      -2.859121      5.124574      5.871263
  H      -0.036879      1.321325      4.547983
  H      -1.344823      0.524691      5.437437
  H       0.022877      3.197476      6.031112
  H       0.020755      1.753628      7.080257
  H      -1.567920      6.258541      7.124385
  H      -0.729537      5.220865      5.960676
  H      -2.328434      4.334984      8.422504
  H      -0.564570      4.148700      8.202397
  H      -4.411690      1.296958      8.519258
  H      -4.107046      3.035743      8.685411
  H      -2.304166      0.890746      7.441192
  H      -1.942953      1.866994      8.893454
  C      -1.852629      1.977207      2.906072
  C      -2.211960      0.527626      2.537209
  C      -3.635943      0.134131      2.925582
  C      -4.704216      0.513462      1.937162
  N      -4.385974      1.306446      0.915258
  C      -5.355744      1.571909      0.002648
  N      -6.591748      1.111203     -0.028749
  C      -6.951582      0.300566      1.017562
  C      -8.265216     -0.220104      1.069264
  C      -8.660038     -1.002466      2.137330
  C      -7.763164     -1.289317      3.189010
  C      -6.467956     -0.805038      3.156161
  C      -6.031979     -0.010950      2.067616
  C      -3.730641      6.299247      5.856383
  C      -3.582052      7.225307      4.637703
  C      -4.327008      6.697181      3.412451
  C      -5.829563      6.753632      3.513930
  N      -6.380061      7.324070      4.580822
  C      -7.736965      7.331157      4.663891
  N      -8.604742      6.855867      3.794125
  C      -8.067304      6.287521      2.669382
  C      -8.934314      5.776290      1.674025
  C      -8.415278      5.169370      0.548917
  C      -7.018280      5.042509      0.379486
  C      -6.149315      5.542311      1.330417
  C      -6.652510      6.186575      2.487883
  C      -5.939865      2.324890      6.601728
  C      -6.589117      3.715814      6.698372
  C      -8.111056      3.711395      6.561168
  C      -8.630484      3.297135      5.207456
  N      -7.766100      3.209636      4.204180
  C      -8.237229      2.834713      2.986602
  N      -9.477934      2.536665      2.663440
  C     -10.397819      2.637699      3.670439
  C     -11.757107      2.354768      3.391759
  C     -12.707351      2.464824      4.387356
  C     -12.336752      2.858331      5.693787
  C     -11.017111      3.134003      5.994158
  C     -10.018802      3.028993      4.993508
  H      -0.823926      2.184721      2.547291
  H      -2.516367      2.665121      2.365476
  H      -1.509149     -0.152617      3.043442
  H      -2.066326      0.392971      1.454713
  H      -3.706692     -0.953617      3.087647
  H      -3.882380      0.602737      3.896978
  H      -5.057082      2.241542     -0.811154
  H      -8.952347      0.037703      0.262893
  H      -9.679721     -1.388736      2.181087
  H      -8.097722     -1.893364      4.034121
  H      -5.780917     -1.018516      3.974950
  H      -4.779145      5.978217      5.916351
  H      -3.543050      6.881753      6.776912
  H      -2.513338      7.333399      4.394695
  H      -3.962689      8.223811      4.900154
  H      -4.020839      7.239080      2.501161
  H      -4.055371      5.638043      3.246380
  H      -8.147414      7.792459      5.568883
  H     -10.009654      5.858525      1.837687
  H      -9.086809      4.754737     -0.204359
  H      -6.629336      4.526411     -0.498817
  H      -5.072700      5.432762      1.199254
  H      -6.339088      1.674627      7.404747
  H      -6.222077      1.869467      5.641794
  H      -6.320050      4.178807      7.661005
  H      -6.160334      4.350656      5.909009
  H      -8.560710      3.060733      7.330426
  H      -8.503954      4.725353      6.762905
  H      -7.484641      2.779720      2.195354
  H     -12.019519      2.057754      2.375255
  H     -13.754550      2.249716      4.167414
  H     -13.100883      2.944651      6.467977
  H     -10.741421      3.441187      7.003435
  N      -4.661650      3.323519      3.837823
  H      -5.680100      3.409022      3.950050
  H      -4.454216      3.067869      2.871375
98
Coordinates from ORCA-job orca E -6204.357348101357
  N      -1.943640      2.283498      4.285704
  Mo     -3.336749      3.277795      5.323957
  N      -4.482130      2.349768      6.661375
  C      -3.922694      2.127395      7.988260
  C      -2.429022      1.854483      7.858163
  N      -1.799969      2.863739      6.969244
  C      -0.580056      2.344912      6.301133
  C      -0.964722      1.536528      5.070294
  C      -1.534149      4.154439      7.654298
  C      -1.623568      5.272453      6.621090
  N      -2.874713      5.125209      5.878122
  H      -0.050471      1.348548      4.475228
  H      -1.345736      0.538708      5.370197
  H       0.012385      3.212114      5.979002
  H       0.028605      1.755403      7.010593
  H      -1.581722      6.247827      7.137022
  H      -0.746441      5.236246      5.947425
  H      -2.318011      4.304368      8.410190
  H      -0.555819      4.127866      8.169170
  H      -4.396590      1.254217      8.476905
  H      -4.099456      2.992778      8.662120
  H      -2.289853      0.874457      7.380046
  H      -1.927362      1.833383      8.842651
  C      -1.904161      1.979300      2.860765
  C      -2.258441      0.521656      2.516156
  C      -3.665947      0.114016      2.956526
  C      -4.762478      0.489830      2.001667
  N      -4.458377      1.241272      0.946228
  C      -5.449542      1.502392      0.056184
  N      -6.696467      1.077894      0.077282
  C      -7.041341      0.308981      1.157515
  C      -8.361649     -0.188811      1.255806
  C      -8.740870     -0.936429      2.352921
  C      -7.822087     -1.207545      3.390577
  C      -6.520061     -0.749581      3.310233
  C      -6.097977      0.006995      2.189852
  C      -3.745799      6.300573      5.889961
  C      -3.589882      7.268154      4.702091
  C      -4.305121      6.778010      3.446309
  C      -5.808963      6.805663      3.515000
  N      -6.398292      7.330487      4.583630
  C      -7.756936      7.297851      4.633494
  N      -8.590257      6.826602      3.727865
  C      -8.010215      6.308591      2.600626
  C      -8.837375      5.798671      1.571233
  C      -8.273048      5.229006      0.448423
  C      -6.869149      5.139550      0.315299
  C      -6.039540      5.642473      1.298487
  C      -6.590322      6.248879      2.453701
  C      -5.942052      2.302553      6.579308
  C      -6.600303      3.684939      6.714152
  C      -8.119097      3.665542      6.568002
  C      -8.612760      3.277592      5.196896
  N      -7.736047      3.257306      4.199159
  C      -8.185938      2.936377      2.958280
  N      -9.415830      2.617881      2.611553
  C     -10.344342      2.632548      3.615648
  C     -11.689586      2.309840      3.312650
  C     -12.650744      2.336392      4.303845
  C     -12.305304      2.683190      5.630150
  C     -10.998759      2.994550      5.954468
  C      -9.989732      2.972488      4.959162
  H      -0.886973      2.190517      2.473538
  H      -2.587952      2.654508      2.327836
  H      -1.531572     -0.146425      3.003974
  H      -2.142364      0.381477      1.431130
  H      -3.720482     -0.973777      3.132654
  H      -3.887665      0.591451      3.932426
  H      -5.159832      2.134052     -0.790822
  H      -9.065775      0.059517      0.460943
  H      -9.766540     -1.301075      2.433456
  H      -8.143291     -1.786869      4.257736
  H      -5.811853     -0.964074      4.112637
  H      -4.792703      5.976707      5.934519
  H      -3.564723      6.855326      6.829543
  H      -2.519461      7.398707      4.477817
  H      -3.987150      8.253140      4.993035
  H      -3.988669      7.357737      2.561726
  H      -4.013626      5.731014      3.248720
  H      -8.201039      7.714338      5.544350
  H      -9.918173      5.845855      1.710084
  H      -8.913134      4.814773     -0.332220
  H      -6.444377      4.651562     -0.562720
  H      -4.957670      5.564424      1.193882
  H      -6.338229      1.627747      7.363057
  H      -6.225432      1.876261      5.604503
  H      -6.338819      4.123617      7.690200
  H      -6.172776      4.343063      5.944528
  H      -8.567635      2.992377      7.317733
  H      -8.526695      4.668508      6.788155
  H      -7.425915      2.950449      2.168205
  H     -11.933118      2.051148      2.281098
  H     -13.687165      2.091937      4.064339
  H     -13.077295      2.704021      6.401108
  H     -10.743084      3.262489      6.980058
  N      -4.699909      3.351426      3.844604
  H      -5.716049      3.442662      3.977838
  H      -4.519652      3.109361      2.868501
98
Coordinates from ORCA-job orca E -6204.357956383141
  N      -1.937456      2.303427      4.274774
  Mo     -3.346909      3.264671      5.319409
  N      -4.486318      2.304299      6.638412
  C      -3.929867      2.070472      7.964466
  C      -2.432935      1.817162      7.837648
  N      -1.812622      2.846079      6.965526
  C      -0.583974      2.349381      6.296241
  C      -0.954184      1.555123      5.052136
  C      -1.563910      4.130352      7.669230
  C      -1.661085      5.261453      6.650080
  N      -2.907097      5.110388      5.897376
  H      -0.035232      1.387177      4.458487
  H      -1.325476      0.548672      5.334866
  H       0.001295      3.227128      5.989971
  H       0.027298      1.755910      7.000111
  H      -1.632281      6.230396      7.178496
  H      -0.779798      5.242968      5.981218
  H      -2.351940      4.261669      8.424397
  H      -0.587458      4.107018      8.187935
  H      -4.395201      1.184989      8.439324
  H      -4.120093      2.924072      8.649483
  H      -2.280193      0.845273      7.346798
  H      -1.935371      1.788573      8.824016
  C      -1.893277      2.017415      2.846587
  C      -2.229299      0.559678      2.486650
  C      -3.628611      0.133136      2.927279
  C      -4.741935      0.503036      1.985702
  N      -4.458947      1.223219      0.902399
  C      -5.472402      1.469534      0.032365
  N      -6.720856      1.051610      0.096322
  C      -7.043617      0.315101      1.206799
  C      -8.364781     -0.167035      1.356664
  C      -8.720655     -0.874197      2.488455
  C      -7.776913     -1.118991      3.509816
  C      -6.473726     -0.675055      3.379769
  C      -6.076616      0.039008      2.223277
  C      -3.784581      6.280964      5.902210
  C      -3.610058      7.254017      4.722778
  C      -4.296387      6.758770      3.451712
  C      -5.802348      6.781085      3.493365
  N      -6.408584      7.303333      4.553807
  C      -7.768087      7.277374      4.579996
  N      -8.587711      6.817702      3.656821
  C      -7.991054      6.300621      2.537739
  C      -8.803955      5.803579      1.490701
  C      -8.224833      5.235947      0.374710
  C      -6.819481      5.136815      0.265682
  C      -6.002697      5.627505      1.266137
  C      -6.568568      6.231161      2.415870
  C      -5.946115      2.258385      6.554475
  C      -6.600923      3.639943      6.719653
  C      -8.121257      3.632273      6.578914
  C      -8.627573      3.275707      5.203145
  N      -7.760350      3.276154      4.197356
  C      -8.222172      2.983100      2.953921
  N      -9.455913      2.678075      2.610295
  C     -10.375103      2.672039      3.622512
  C     -11.723702      2.359101      3.324378
  C     -12.675223      2.362624      4.325145
  C     -12.316473      2.675999      5.656175
  C     -11.006509      2.977360      5.975731
  C     -10.006902      2.978339      4.970742
  H      -0.879288      2.248409      2.461741
  H      -2.586594      2.689553      2.323065
  H      -1.492955     -0.104446      2.965908
  H      -2.116990      0.432296      1.400037
  H      -3.671612     -0.957674      3.087392
  H      -3.847889      0.591149      3.911612
  H      -5.201796      2.080629     -0.835933
  H      -9.088151      0.061788      0.573550
  H      -9.746262     -1.227794      2.608099
  H      -8.080274     -1.663765      4.405430
  H      -5.746552     -0.863864      4.170826
  H      -4.831636      5.952485      5.923042
  H      -3.624426      6.830067      6.848630
  H      -2.535882      7.393106      4.522848
  H      -4.020891      8.235080      5.006895
  H      -3.966120      7.339845      2.573357
  H      -3.995114      5.713083      3.259959
  H      -8.225859      7.692847      5.484450
  H      -9.886661      5.859070      1.610460
  H      -8.854480      4.831807     -0.419523
  H      -6.383168      4.651934     -0.607878
  H      -4.919788      5.541943      1.179115
  H      -6.342379      1.568208      7.324902
  H      -6.229450      1.851379      5.572147
  H      -6.333730      4.056872      7.703691
  H      -6.174191      4.312924      5.962094
  H      -8.570438      2.949182      7.318926
  H      -8.520709      4.634708      6.818658
  H      -7.467903      3.003955      2.160205
  H     -11.977366      2.125989      2.289185
  H     -13.714266      2.125310      4.089895
  H     -13.081120      2.678838      6.434654
  H     -10.740614      3.219771      7.005058
  N      -4.701280      3.342510      3.830930
  H      -5.717926      3.434321      3.957974
  H      -4.510706      3.117163      2.853606
98
Coordinates from ORCA-job orca E -6204.358494644724
  N      -1.922736      2.305357      4.285809
  Mo     -3.344449      3.255276      5.323495
  N      -4.485016      2.281369      6.631633
  C      -3.933418      2.046580      7.959683
  C      -2.434703      1.804782      7.841026
  N      -1.817420      2.842293      6.977691
  C      -0.581506      2.356545      6.313845
  C      -0.938720      1.562156      5.066286
  C      -1.584251      4.125713      7.688506
  C      -1.682578      5.261290      6.673156
  N      -2.920829      5.102715      5.907394
  H      -0.015351      1.403089      4.477155
  H      -1.303508      0.552000      5.344929
  H      -0.001925      3.240173      6.013748
  H       0.031123      1.765940      7.018984
  H      -1.666458      6.228086      7.205424
  H      -0.794953      5.252867      6.012622
  H      -2.379536      4.247563      8.437613
  H      -0.611819      4.107365      8.215113
  H      -4.394890      1.155981      8.428842
  H      -4.133295      2.895595      8.647423
  H      -2.271483      0.836172      7.346748
  H      -1.943312      1.775786      8.830510
  C      -1.872978      2.021830      2.857733
  C      -2.211101      0.567671      2.487032
  C      -3.613097      0.141243      2.913048
  C      -4.725753      0.535127      1.974733
  N      -4.437808      1.253429      0.891387
  C      -5.453891      1.524638      0.031094
  N      -6.708517      1.124465      0.102618
  C      -7.036068      0.388041      1.212931
  C      -8.365678     -0.066851      1.374223
  C      -8.727464     -0.763854      2.510833
  C      -7.780116     -1.025971      3.524641
  C      -6.469427     -0.608175      3.383379
  C      -6.067267      0.095116      2.221960
  C      -3.800510      6.271707      5.888743
  C      -3.607436      7.228953      4.700689
  C      -4.276325      6.717144      3.425610
  C      -5.783328      6.753237      3.449402
  N      -6.391502      7.297663      4.497727
  C      -7.751244      7.298288      4.509939
  N      -8.569915      6.847725      3.582151
  C      -7.972412      6.304887      2.475644
  C      -8.785645      5.815118      1.425027
  C      -8.208487      5.223195      0.320923
  C      -6.804253      5.093968      0.226996
  C      -5.986189      5.577811      1.230354
  C      -6.549775      6.203956      2.369733
  C      -5.944176      2.228599      6.544503
  C      -6.605945      3.604799      6.731653
  C      -8.127836      3.597436      6.595624
  C      -8.649067      3.258453      5.220099
  N      -7.796552      3.275706      4.202443
  C      -8.274065      2.989557      2.963413
  N      -9.511023      2.685317      2.632442
  C     -10.415588      2.663192      3.656630
  C     -11.765763      2.342746      3.374332
  C     -12.701664      2.322622      4.389668
  C     -12.325192      2.619723      5.719339
  C     -11.013273      2.928747      6.023317
  C     -10.029203      2.953880      5.003350
  H      -0.856476      2.251363      2.477729
  H      -2.561237      2.698897      2.335099
  H      -1.478315     -0.102894      2.963083
  H      -2.095878      0.450864      1.399698
  H      -3.660418     -0.952057      3.049421
  H      -3.834845      0.574342      3.905875
  H      -5.182001      2.141730     -0.832700
  H      -9.089716      0.175555      0.596144
  H      -9.758323     -1.098653      2.638245
  H      -8.087798     -1.559298      4.425774
  H      -5.742897     -0.803556      4.172598
  H      -4.848960      5.943307      5.895894
  H      -3.654693      6.831093      6.831189
  H      -2.529886      7.365318      4.517556
  H      -4.022914      8.213183      4.964823
  H      -3.931187      7.284835      2.544433
  H      -3.978082      5.667034      3.251387
  H      -8.210369      7.733773      5.404158
  H      -9.867902      5.896915      1.532559
  H      -8.838789      4.826012     -0.476200
  H      -6.369561      4.593963     -0.638490
  H      -4.904419      5.469894      1.153059
  H      -6.336843      1.525529      7.305411
  H      -6.224032      1.832275      5.558166
  H      -6.337994      4.006299      7.721972
  H      -6.183072      4.292244      5.984893
  H      -8.572361      2.907553      7.331731
  H      -8.525628      4.598260      6.847683
  H      -7.529122      3.005515      2.163202
  H     -12.032857      2.121244      2.339998
  H     -13.741844      2.078003      4.167284
  H     -13.077818      2.603809      6.509251
  H     -10.733744      3.158279      7.051956
  N      -4.686326      3.336435      3.824500
  H      -5.702435      3.441074      3.943021
  H      -4.488159      3.115790      2.848064
98
Coordinates from ORCA-job orca E -6204.359114754987
  N      -1.928863      2.329710      4.259866
  Mo     -3.351114      3.261754      5.313108
  N      -4.482851      2.258036      6.606812
  C      -3.927371      2.008653      7.930681
  C      -2.427002      1.780809      7.806824
  N      -1.818902      2.836202      6.958350
  C      -0.580988      2.369843      6.284417
  C      -0.936092      1.586478      5.029254
  C      -1.595309      4.110268      7.688642
  C      -1.703474      5.261372      6.691823
  N      -2.939223      5.103114      5.921646
  H      -0.013748      1.440736      4.434917
  H      -1.291651      0.570392      5.298511
  H      -0.010773      3.262458      5.992871
  H       0.039679      1.776436      6.980136
  H      -1.698063      6.219265      7.240233
  H      -0.814472      5.273288      6.033204
  H      -2.391146      4.213845      8.439930
  H      -0.622417      4.091508      8.214253
  H      -4.381129      1.107735      8.387692
  H      -4.132486      2.845837      8.631122
  H      -2.255827      0.820856      7.298452
  H      -1.934716      1.741490      8.795493
  C      -1.898900      2.039976      2.832530
  C      -2.241697      0.583674      2.474775
  C      -3.634772      0.157303      2.928028
  C      -4.768221      0.539003      2.009738
  N      -4.504144      1.231334      0.903546
  C      -5.539923      1.485139      0.061584
  N      -6.792916      1.087233      0.171266
  C      -7.095024      0.374803      1.304470
  C      -8.420196     -0.077371      1.505418
  C      -8.756108     -0.748905      2.665327
  C      -7.785383     -0.989146      3.662335
  C      -6.478543     -0.574751      3.481849
  C      -6.103612      0.105142      2.297354
  C      -3.821491      6.269418      5.904037
  C      -3.610331      7.240948      4.731695
  C      -4.249566      6.738162      3.437725
  C      -5.757386      6.761718      3.433736
  N      -6.388571      7.287093      4.477993
  C      -7.748362      7.279105      4.465049
  N      -8.546492      6.839085      3.514913
  C      -7.924859      6.316820      2.411728
  C      -8.715221      5.841469      1.337130
  C      -8.114059      5.267572      0.236405
  C      -6.707645      5.143435      0.169639
  C      -5.911407      5.615521      1.195632
  C      -6.500010      6.222740      2.332556
  C      -5.941287      2.198680      6.521728
  C      -6.612726      3.564003      6.751581
  C      -8.134067      3.550725      6.609488
  C      -8.648348      3.254875      5.221623
  N      -7.796528      3.332280      4.206305
  C      -8.268095      3.089721      2.956202
  N      -9.499884      2.780372      2.610912
  C     -10.403043      2.692871      3.632703
  C     -11.746239      2.356573      3.335904
  C     -12.680373      2.268364      4.349307
  C     -12.309255      2.512389      5.691131
  C     -11.004291      2.836724      6.009010
  C     -10.021862      2.930736      4.991400
  H      -0.888173      2.267913      2.436541
  H      -2.595346      2.714051      2.316628
  H      -1.499505     -0.083318      2.941102
  H      -2.145455      0.461706      1.385997
  H      -3.675589     -0.934976      3.072901
  H      -3.840657      0.595311      3.921420
  H      -5.288470      2.083098     -0.821473
  H      -9.161343      0.148240      0.738707
  H      -9.783490     -1.081473      2.823025
  H      -8.071978     -1.502729      4.581750
  H      -5.734872     -0.752770      4.258760
  H      -4.869108      5.938037      5.888417
  H      -3.693075      6.817002      6.855886
  H      -2.530317      7.387894      4.572749
  H      -4.038735      8.218782      4.997850
  H      -3.893127      7.320471      2.570756
  H      -3.938240      5.693424      3.255851
  H      -8.226803      7.697590      5.357230
  H      -9.799555      5.918883      1.423928
  H      -8.726560      4.880633     -0.579309
  H      -6.253782      4.658054     -0.694366
  H      -4.827746      5.513155      1.137787
  H      -6.328169      1.470475      7.262036
  H      -6.219112      1.829422      5.525074
  H      -6.350706      3.933868      7.755673
  H      -6.191699      4.278926      6.029965
  H      -8.576190      2.834653      7.321460
  H      -8.539914      4.540855      6.891381
  H      -7.523810      3.153722      2.157961
  H     -12.009269      2.176593      2.292519
  H     -13.714897      2.010346      4.115909
  H     -13.060404      2.443102      6.479585
  H     -10.729424      3.024577      7.047269
  N      -4.698299      3.362012      3.821618
  H      -5.713460      3.471619      3.946476
  H      -4.507417      3.155694      2.840412
98
Coordinates from ORCA-job orca E -6204.359729871376
  N      -1.931541      2.347518      4.226030
  Mo     -3.353615      3.264654      5.294819
  N      -4.477919      2.231105      6.572468
  C      -3.918614      1.966233      7.891848
  C      -2.416234      1.753012      7.763025
  N      -1.817287      2.827382      6.931424
  C      -0.576541      2.384365      6.247288
  C      -0.927389      1.609484      4.985485
  C      -1.607376      4.090811      7.682879
  C      -1.726827      5.259189      6.708474
  N      -2.957267      5.099165      5.931617
  H      -0.005875      1.478190      4.386060
  H      -1.269991      0.587000      5.247770
  H      -0.019384      3.287831      5.963773
  H       0.054726      1.790861      6.933426
  H      -1.737669      6.205513      7.276924
  H      -0.835096      5.298245      6.054301
  H      -2.406057      4.172219      8.433686
  H      -0.635170      4.073629      8.209586
  H      -4.364766      1.054835      8.335461
  H      -4.128937      2.790735      8.605693
  H      -2.236572      0.802961      7.239528
  H      -1.923478      1.702126      8.750972
  C      -1.923448      2.045077      2.801117
  C      -2.275052      0.585839      2.465116
  C      -3.656026      0.161543      2.958245
  C      -4.811913      0.534241      2.067535
  N      -4.573309      1.203731      0.942474
  C      -5.629571      1.448265      0.124048
  N      -6.880775      1.058589      0.273648
  C      -7.156082      0.368641      1.426844
  C      -8.477487     -0.074820      1.668611
  C      -8.787394     -0.722427      2.849091
  C      -7.792067     -0.948871      3.825328
  C      -6.488156     -0.546278      3.603298
  C      -6.140524      0.112393      2.398407
  C      -3.842802      6.262027      5.917096
  C      -3.618540      7.254592      4.764473
  C      -4.235228      6.774861      3.452103
  C      -5.742480      6.793297      3.423006
  N      -6.395647      7.300763      4.462257
  C      -7.754944      7.286678      4.423070
  N      -8.532457      6.856191      3.451578
  C      -7.886547      6.353008      2.353537
  C      -8.652572      5.885064      1.258124
  C      -8.026193      5.323625      0.164914
  C      -6.617931      5.206278      0.126040
  C      -5.845576      5.673443      1.171526
  C      -6.460586      6.266504      2.301572
  C      -5.935429      2.163875      6.489468
  C      -6.617021      3.516934      6.756953
  C      -8.136574      3.496335      6.606655
  C      -8.639833      3.237838      5.208331
  N      -7.786433      3.371670      4.200210
  C      -8.250272      3.171327      2.939978
  N      -9.477093      2.859909      2.578239
  C     -10.380702      2.711370      3.592552
  C     -11.716827      2.363774      3.277410
  C     -12.650922      2.211863      4.283257
  C     -12.286981      2.402680      5.635602
  C     -10.989104      2.737759      5.971041
  C     -10.006544      2.895922      4.961351
  H      -0.918422      2.264469      2.386432
  H      -2.626419      2.716084      2.289092
  H      -1.520755     -0.076593      2.917911
  H      -2.205719      0.454734      1.374940
  H      -3.689906     -0.930198      3.112588
  H      -3.840603      0.605716      3.953952
  H      -5.399136      2.026459     -0.777316
  H      -9.236196      0.141811      0.916630
  H      -9.812321     -1.045882      3.039012
  H      -8.056966     -1.444623      4.760902
  H      -5.726282     -0.717598      4.364354
  H      -4.887725      5.925454      5.881504
  H      -3.730056      6.795899      6.878900
  H      -2.537052      7.409789      4.624519
  H      -4.055968      8.225402      5.041681
  H      -3.866952      7.375822      2.602760
  H      -3.917335      5.735760      3.254619
  H      -8.252627      7.687992      5.312636
  H      -9.738719      5.955917      1.324142
  H      -8.619734      4.940258     -0.666288
  H      -6.143619      4.729828     -0.732445
  H      -4.760400      5.576613      1.135128
  H      -6.316362      1.412430      7.209725
  H      -6.210769      1.818841      5.483007
  H      -6.363582      3.858655      7.773129
  H      -6.196802      4.256416      6.060242
  H      -8.577479      2.757292      7.295267
  H      -8.550900      4.475608      6.913364
  H      -7.505253      3.279315      2.146042
  H     -11.974319      2.225643      2.226280
  H     -13.679730      1.944299      4.035675
  H     -13.038018      2.283787      6.418277
  H     -10.720710      2.884578      7.017527
  N      -4.706184      3.388616      3.811685
  H      -5.719981      3.505417      3.943214
  H      -4.524544      3.195181      2.825733
98
Coordinates from ORCA-job orca E -6204.360287402723
  N      -1.928991      2.359921      4.212475
  Mo     -3.356562      3.261728      5.288860
  N      -4.474249      2.205447      6.554186
  C      -3.912547      1.931225      7.870739
  C      -2.408266      1.733039      7.740362
  N      -1.819174      2.823399      6.922460
  C      -0.573427      2.402673      6.233908
  C      -0.914977      1.631205      4.967467
  C      -1.626923      4.079791      7.689507
  C      -1.756645      5.260005      6.731004
  N      -2.979469      5.093461      5.943853
  H       0.008004      1.515163      4.366864
  H      -1.243213      0.602547      5.224280
  H      -0.030035      3.316442      5.956504
  H       0.067373      1.813192      6.914696
  H      -1.786455      6.197090      7.314076
  H      -0.860205      5.323539      6.084939
  H      -2.430712      4.141530      8.436563
  H      -0.657095      4.067958      8.220668
  H      -4.350816      1.011128      8.304204
  H      -4.129794      2.745704      8.593967
  H      -2.219084      0.791061      7.205844
  H      -1.916242      1.675050      8.728338
  C      -1.929784      2.049917      2.788995
  C      -2.285630      0.589259      2.461268
  C      -3.662695      0.168013      2.967375
  C      -4.826249      0.544638      2.089691
  N      -4.595355      1.208762      0.959816
  C      -5.659189      1.459857      0.153497
  N      -6.912469      1.084449      0.321391
  C      -7.180212      0.402376      1.480807
  C      -8.504285     -0.020985      1.743197
  C      -8.806941     -0.658145      2.931232
  C      -7.800185     -0.897643      3.892705
  C      -6.493584     -0.516468      3.649660
  C      -6.154244      0.135037      2.438383
  C      -3.867204      6.253810      5.916902
  C      -3.623658      7.251654      4.772680
  C      -4.218212      6.777002      3.448670
  C      -5.725007      6.798034      3.396194
  N      -6.392614      7.309113      4.424193
  C      -7.751108      7.302908      4.362207
  N      -8.514598      6.877548      3.377532
  C      -7.853249      6.368548      2.291520
  C      -8.603631      5.902110      1.184514
  C      -7.962457      5.332785      0.104169
  C      -6.554239      5.206962      0.089529
  C      -5.796821      5.673449      1.145978
  C      -6.427271      6.273293      2.263967
  C      -5.931479      2.132780      6.473909
  C      -6.618376      3.477943      6.766032
  C      -8.137735      3.454451      6.616859
  C      -8.644920      3.220302      5.215964
  N      -7.799850      3.388998      4.205798
  C      -8.270880      3.213008      2.944319
  N      -9.498076      2.901804      2.583420
  C     -10.392738      2.717961      3.599793
  C     -11.727531      2.365030      3.285128
  C     -12.651700      2.173398      4.293269
  C     -12.278615      2.328533      5.647683
  C     -10.981858      2.668343      5.982438
  C     -10.009301      2.867233      4.970214
  H      -0.926557      2.264801      2.367734
  H      -2.634025      2.719740      2.277069
  H      -1.528011     -0.072752      2.908819
  H      -2.226782      0.454548      1.370828
  H      -3.697770     -0.924120      3.119590
  H      -3.836565      0.609670      3.966089
  H      -5.434743      2.032264     -0.752993
  H      -9.270245      0.205704      1.001584
  H      -9.834105     -0.963597      3.138164
  H      -8.058498     -1.386051      4.833984
  H      -5.723895     -0.697535      4.400403
  H      -4.910024      5.913628      5.860054
  H      -3.773710      6.784502      6.882637
  H      -2.540060      7.408499      4.652260
  H      -4.066977      8.220798      5.046180
  H      -3.836144      7.381245      2.607743
  H      -3.897648      5.738837      3.252240
  H      -8.261322      7.707281      5.243213
  H      -9.690218      5.980055      1.231982
  H      -8.544154      4.950080     -0.735679
  H      -6.067880      4.725858     -0.759655
  H      -4.711726      5.570975      1.127580
  H      -6.306821      1.367233      7.182345
  H      -6.207144      1.801700      5.463125
  H      -6.366933      3.802138      7.788466
  H      -6.201053      4.232269      6.083415
  H      -8.574567      2.701880      7.293136
  H      -8.554224      4.426926      6.941588
  H      -7.532120      3.340014      2.147217
  H     -11.991841      2.254145      2.232465
  H     -13.679443      1.901441      4.046041
  H     -13.021688      2.178266      6.432572
  H     -10.707106      2.787841      7.030734
  N      -4.710176      3.398931      3.808841
  H      -5.722475      3.523664      3.943974
  H      -4.533366      3.210525      2.821053
98
Coordinates from ORCA-job orca E -6204.360797973621
  N      -1.923122      2.366073      4.206316
  Mo     -3.357188      3.254648      5.287549
  N      -4.468335      2.181327      6.543988
  C      -3.903383      1.897625      7.857124
  C      -2.397191      1.715204      7.724135
  N      -1.819997      2.821646      6.919575
  C      -0.567650      2.427344      6.227933
  C      -0.895377      1.654582      4.958529
  C      -1.650377      4.072111      7.700656
  C      -1.790432      5.262411      6.756536
  N      -3.002664      5.086344      5.956083
  H       0.029691      1.557753      4.357400
  H      -1.202611      0.618710      5.212574
  H      -0.043396      3.353385      5.954368
  H       0.085918      1.847447      6.904914
  H      -1.843379      6.189814      7.353580
  H      -0.887972      5.352397      6.121705
  H      -2.461844      4.112937      8.440437
  H      -0.684642      4.068714      8.239368
  H      -4.333115      0.968760      8.280302
  H      -4.127905      2.701530      8.589999
  H      -2.198808      0.781844      7.178113
  H      -1.904860      1.650237      8.711594
  C      -1.929680      2.047900      2.784538
  C      -2.287699      0.586302      2.461616
  C      -3.661479      0.163716      2.976182
  C      -4.829931      0.549247      2.109502
  N      -4.602903      1.226486      0.986640
  C      -5.670008      1.491389      0.189203
  N      -6.924449      1.123268      0.361870
  C      -7.188719      0.430265      1.515068
  C      -8.515351      0.018405      1.783531
  C      -8.815335     -0.628556      2.966768
  C      -7.802336     -0.894021      3.914923
  C      -6.493311     -0.525574      3.664994
  C      -6.157500      0.139948      2.460568
  C      -3.890956      6.245352      5.909536
  C      -3.627096      7.244077      4.769483
  C      -4.208432      6.776143      3.437803
  C      -5.714167      6.812768      3.367514
  N      -6.387893      7.341287      4.382409
  C      -7.745253      7.354732      4.301658
  N      -8.501659      6.931866      3.310334
  C      -7.833549      6.400855      2.239260
  C      -8.576139      5.928717      1.129242
  C      -7.928860      5.336657      0.064924
  C      -6.521805      5.194919      0.068468
  C      -5.772120      5.665921      1.128272
  C      -6.408870      6.286877      2.231290
  C      -5.926157      2.105353      6.468296
  C      -6.615351      3.446432      6.769872
  C      -8.134931      3.420364      6.625348
  C      -8.648647      3.200093      5.224702
  N      -7.810671      3.385038      4.211157
  C      -8.290998      3.223333      2.950829
  N      -9.521875      2.922103      2.594216
  C     -10.409228      2.723569      3.614397
  C     -11.746897      2.378365      3.304062
  C     -12.662800      2.167478      4.315836
  C     -12.277797      2.294808      5.669862
  C     -10.978090      2.627366      6.000176
  C     -10.013979      2.846105      4.983937
  H      -0.927004      2.258347      2.359606
  H      -2.633245      2.716998      2.270860
  H      -1.526486     -0.075647      2.903081
  H      -2.237527      0.450981      1.370862
  H      -3.697079     -0.930152      3.118263
  H      -3.826903      0.595278      3.981059
  H      -5.447958      2.071856     -0.712758
  H      -9.284415      0.263567      1.050959
  H      -9.844569     -0.922572      3.180045
  H      -8.057784     -1.391711      4.852109
  H      -5.719591     -0.728341      4.406149
  H      -4.931201      5.901681      5.833494
  H      -3.816408      6.777694      6.876211
  H      -2.541082      7.394222      4.663373
  H      -4.068506      8.215294      5.038842
  H      -3.811016      7.378111      2.602207
  H      -3.895036      5.735497      3.244331
  H      -8.261399      7.774509      5.171895
  H      -9.662203      6.020391      1.162328
  H      -8.505057      4.949695     -0.776827
  H      -6.029654      4.699092     -0.769370
  H      -4.688251      5.550464      1.124630
  H      -6.296025      1.333968      7.173228
  H      -6.204995      1.777720      5.457228
  H      -6.363933      3.766049      7.793854
  H      -6.201707      4.206238      6.090649
  H      -8.567996      2.660493      7.295700
  H      -8.550622      4.388614      6.962228
  H      -7.558907      3.357790      2.149309
  H     -12.019991      2.288368      2.251636
  H     -13.692901      1.901447      4.072057
  H     -13.014239      2.129396      6.457940
  H     -10.694958      2.726918      7.048316
  N      -4.709303      3.401863      3.806213
  H      -5.720666      3.531785      3.941977
  H      -4.533301      3.211667      2.818712
98
Coordinates from ORCA-job orca E -6204.361266804779
  N      -1.926735      2.382387      4.195552
  Mo     -3.368157      3.247808      5.286056
  N      -4.467752      2.150445      6.531174
  C      -3.897881      1.853973      7.839228
  C      -2.389736      1.691553      7.701740
  N      -1.827511      2.816643      6.912440
  C      -0.569596      2.450118      6.215960
  C      -0.885559      1.683011      4.940428
  C      -1.676860      4.059474      7.709488
  C      -1.828644      5.260021      6.779978
  N      -3.033958      5.077820      5.970269
  H       0.040399      1.607735      4.337498
  H      -1.173662      0.639583      5.185963
  H      -0.062404      3.387780      5.949963
  H       0.095295      1.875907      6.886756
  H      -1.899015      6.178083      7.389659
  H      -0.923367      5.372352      6.152615
  H      -2.492094      4.080208      8.445812
  H      -0.713285      4.062041      8.252095
  H      -4.316082      0.914007      8.249350
  H      -4.131280      2.644163      8.584221
  H      -2.181048      0.768886      7.141548
  H      -1.895284      1.618080      8.687541
  C      -1.937798      2.063403      2.773978
  C      -2.286558      0.599253      2.451599
  C      -3.654829      0.168252      2.971864
  C      -4.831192      0.554361      2.115351
  N      -4.614033      1.220498      0.983559
  C      -5.690091      1.486737      0.198381
  N      -6.945533      1.133433      0.392958
  C      -7.199897      0.454084      1.556623
  C      -8.527280      0.062685      1.851017
  C      -8.815771     -0.569857      3.044906
  C      -7.790421     -0.842633      3.977422
  C      -6.480958     -0.493309      3.702736
  C      -6.157273      0.158954      2.487971
  C      -3.921231      6.236896      5.907868
  C      -3.632155      7.236130      4.774125
  C      -4.192590      6.768203      3.433094
  C      -5.697487      6.811416      3.340502
  N      -6.381159      7.349995      4.343251
  C      -7.737213      7.373762      4.243887
  N      -8.483200      6.951971      3.244528
  C      -7.805199      6.408285      2.186291
  C      -8.537528      5.934174      1.070260
  C      -7.881714      5.330111      0.018320
  C      -6.475811      5.178516      0.040343
  C      -5.735646      5.650582      1.106549
  C      -6.381188      6.283389      2.197792
  C      -5.926050      2.072368      6.459880
  C      -6.616805      3.407153      6.783756
  C      -8.137087      3.380112      6.644545
  C      -8.655273      3.188948      5.240726
  N      -7.822202      3.403641      4.228603
  C      -8.307225      3.273051      2.966200
  N      -9.538588      2.977315      2.606982
  C     -10.420569      2.747773      3.625490
  C     -11.758175      2.405922      3.311524
  C     -12.668394      2.161729      4.320975
  C     -12.277316      2.251106      5.676289
  C     -10.977625      2.580251      6.010116
  C     -10.019372      2.833114      4.996268
  H      -0.938321      2.281735      2.345434
  H      -2.648061      2.727167      2.262936
  H      -1.518882     -0.058148      2.888817
  H      -2.241382      0.465194      1.360703
  H      -3.686856     -0.926750      3.106860
  H      -3.813605      0.592077      3.980850
  H      -5.475110      2.055654     -0.712754
  H      -9.305232      0.311800      1.129309
  H      -9.845145     -0.847554      3.278401
  H      -8.036594     -1.329699      4.922650
  H      -5.697077     -0.700841      4.431802
  H      -4.959631      5.893350      5.808347
  H      -3.867422      6.767269      6.877040
  H      -2.543826      7.382167      4.688039
  H      -4.074697      8.209020      5.035053
  H      -3.780653      7.367343      2.602554
  H      -3.879260      5.726210      3.246930
  H      -8.261678      7.802606      5.104638
  H      -9.623207      6.034040      1.089152
  H      -8.450429      4.941889     -0.827974
  H      -5.976718      4.674490     -0.788048
  H      -4.652774      5.526709      1.117123
  H      -6.290942      1.290251      7.155411
  H      -6.208308      1.757260      5.445747
  H      -6.362324      3.711913      7.811538
  H      -6.208245      4.178237      6.114240
  H      -8.565936      2.606307      7.301362
  H      -8.553088      4.340455      7.002778
  H      -7.577633      3.423166      2.165255
  H     -12.035839      2.345089      2.258201
  H     -13.698490      1.898295      4.074432
  H     -13.009016      2.058936      6.462692
  H     -10.690068      2.650368      7.059435
  N      -4.722731      3.401151      3.806558
  H      -5.733049      3.535065      3.945590
  H      -4.548590      3.213689      2.818498
98
Coordinates from ORCA-job orca E -6204.361708068390
  N      -1.928620      2.400919      4.184396
  Mo     -3.376862      3.244866      5.283572
  N      -4.468073      2.125859      6.515671
  C      -3.893838      1.811656      7.817556
  C      -2.384008      1.668200      7.675632
  N      -1.835879      2.813107      6.905340
  C      -0.571566      2.476709      6.205392
  C      -0.873260      1.715856      4.922690
  C      -1.706450      4.046314      7.720981
  C      -1.867124      5.258542      6.808238
  N      -3.062822      5.072288      5.985333
  H       0.053830      1.663793      4.318906
  H      -1.140266      0.664703      5.159150
  H      -0.082932      3.426532      5.948074
  H       0.104779      1.909209      6.870501
  H      -1.956393      6.165597      7.432000
  H      -0.957710      5.394100      6.191391
  H      -2.527781      4.045268      8.450553
  H      -0.746866      4.053693      8.270531
  H      -4.301451      0.860087      8.211295
  H      -4.135292      2.585736      8.576800
  H      -2.166203      0.758283      7.098332
  H      -1.887487      1.582584      8.659437
  C      -1.943813      2.078668      2.763737
  C      -2.283199      0.611376      2.446197
  C      -3.644863      0.171239      2.975929
  C      -4.830785      0.551285      2.129872
  N      -4.627476      1.221200      0.997455
  C      -5.712278      1.484867      0.223580
  N      -6.965535      1.132223      0.432772
  C      -7.205631      0.448437      1.596869
  C      -8.529561      0.057153      1.906909
  C      -8.802280     -0.585002      3.099463
  C      -7.764208     -0.869860      4.013985
  C      -6.458350     -0.519002      3.724442
  C      -6.151174      0.146519      2.512683
  C      -3.945831      6.233196      5.902966
  C      -3.629453      7.232089      4.775631
  C      -4.176141      6.770748      3.426328
  C      -5.679520      6.828879      3.315337
  N      -6.368393      7.384026      4.305450
  C      -7.722880      7.422456      4.190644
  N      -8.462516      6.997359      3.188053
  C      -7.779316      6.434053      2.143495
  C      -8.505668      5.952451      1.026732
  C      -7.845324      5.332315     -0.012943
  C      -6.440687      5.171356      0.022621
  C      -5.706388      5.647923      1.090965
  C      -6.356448      6.296994      2.170052
  C      -5.926941      2.046628      6.447985
  C      -6.618705      3.375627      6.790595
  C      -8.139870      3.346470      6.657033
  C      -8.664890      3.182231      5.251956
  N      -7.835978      3.412764      4.239958
  C      -8.327373      3.305962      2.977649
  N      -9.561955      3.023692      2.618703
  C     -10.439802      2.778518      3.637287
  C     -11.780531      2.449110      3.323545
  C     -12.685871      2.185699      4.332528
  C     -12.286482      2.242897      5.687197
  C     -10.983882      2.560621      6.020735
  C     -10.030757      2.833437      5.007292
  H      -0.947322      2.302992      2.331269
  H      -2.660521      2.735964      2.253367
  H      -1.507949     -0.039242      2.880347
  H      -2.243628      0.474974      1.355374
  H      -3.669886     -0.924118      3.108706
  H      -3.796652      0.592084      3.987105
  H      -5.507437      2.053636     -0.689948
  H      -9.316926      0.312049      1.197568
  H      -9.828700     -0.863273      3.345073
  H      -7.997565     -1.366908      4.957268
  H      -5.664165     -0.736071      4.439243
  H      -4.982000      5.890643      5.779120
  H      -3.913331      6.763108      6.873326
  H      -2.538657      7.367282      4.705499
  H      -4.066153      8.208682      5.031801
  H      -3.748321      7.366377      2.601267
  H      -3.870448      5.725801      3.244100
  H      -8.251734      7.867520      5.040387
  H      -9.590665      6.060692      1.035065
  H      -8.409739      4.939168     -0.859846
  H      -5.937671      4.656279     -0.796451
  H      -4.624630      5.515310      1.112689
  H      -6.287620      1.255205      7.135089
  H      -6.212795      1.743091      5.431234
  H      -6.361438      3.668667      7.821102
  H      -6.215478      4.155836      6.128620
  H      -8.563897      2.559002      7.300674
  H      -8.556225      4.298198      7.037069
  H      -7.600282      3.462260      2.175930
  H     -12.064368      2.412406      2.270752
  H     -13.718330      1.931492      4.086222
  H     -13.014045      2.034828      6.473389
  H     -10.689958      2.605821      7.069676
  N      -4.731771      3.407685      3.804073
  H      -5.741251      3.542727      3.945761
  H      -4.558888      3.219095      2.816084
98
Coordinates from ORCA-job orca E -6204.362134265043
  N      -1.936645      2.411947      4.172223
  Mo     -3.388175      3.240067      5.279233
  N      -4.471269      2.104103      6.501969
  C      -3.892471      1.774422      7.797797
  C      -2.381569      1.646989      7.650587
  N      -1.845951      2.807329      6.895003
  C      -0.577125      2.494799      6.191966
  C      -0.868314      1.739262      4.903562
  C      -1.732582      4.032631      7.725133
  C      -1.899443      5.253626      6.825849
  N      -3.087736      5.065849      5.993291
  H       0.058409      1.706419      4.297747
  H      -1.117458      0.682179      5.132863
  H      -0.103133      3.453729      5.941323
  H       0.108250      1.932840      6.852585
  H      -2.001967      6.152066      7.460348
  H      -0.987578      5.406124      6.216394
  H      -2.558885      4.014753      8.448640
  H      -0.776425      4.043244      8.280440
  H      -4.290834      0.813242      8.177372
  H      -4.140146      2.534542      8.569159
  H      -2.157460      0.748044      7.058862
  H      -1.881596      1.551313      8.631734
  C      -1.956707      2.086785      2.752241
  C      -2.285589      0.616117      2.440213
  C      -3.640506      0.166302      2.979008
  C      -4.834501      0.550865      2.147312
  N      -4.641079      1.211750      1.008010
  C      -5.734849      1.482329      0.249436
  N      -6.989381      1.150602      0.481995
  C      -7.218930      0.474975      1.652753
  C      -8.542577      0.103643      1.987323
  C      -8.802301     -0.536198      3.184047
  C      -7.751836     -0.839017      4.078263
  C      -6.446706     -0.505624      3.765492
  C      -6.152714      0.158827      2.550141
  C      -3.963311      6.230939      5.895222
  C      -3.621471      7.229746      4.774405
  C      -4.157501      6.777076      3.418080
  C      -5.658893      6.850531      3.291067
  N      -6.352240      7.421725      4.268729
  C      -7.705058      7.473224      4.139187
  N      -8.438658      7.042767      3.134366
  C      -7.750344      6.461482      2.103187
  C      -8.470351      5.971608      0.986063
  C      -7.804793      5.337239     -0.041713
  C      -6.401303      5.170014      0.006495
  C      -5.673583      5.651902      1.076683
  C      -6.328818      6.314981      2.143840
  C      -5.930455      2.024262      6.438188
  C      -6.625143      3.346263      6.796835
  C      -8.146334      3.305846      6.667751
  C      -8.671426      3.162431      5.260276
  N      -7.845246      3.419217      4.252424
  C      -8.337377      3.335852      2.988588
  N      -9.571781      3.057919      2.625307
  C     -10.446128      2.783253      3.639645
  C     -11.785685      2.453986      3.320616
  C     -12.686873      2.159052      4.324525
  C     -12.284608      2.184316      5.679415
  C     -10.983542      2.502948      6.018097
  C     -10.034718      2.807709      5.009760
  H      -0.964172      2.318313      2.314635
  H      -2.681235      2.737031      2.243277
  H      -1.502773     -0.027032      2.871976
  H      -2.250342      0.477512      1.349428
  H      -3.661684     -0.930639      3.101692
  H      -3.783823      0.577427      3.995895
  H      -5.536733      2.038866     -0.672948
  H      -9.339405      0.369613      1.292642
  H      -9.828096     -0.799068      3.448711
  H      -7.974760     -1.335518      5.024317
  H      -5.641852     -0.736609      4.463853
  H      -4.997850      5.892109      5.751095
  H      -3.946928      6.759672      6.866718
  H      -2.528655      7.353322      4.717181
  H      -4.051202      8.210024      5.027967
  H      -3.715034      7.369701      2.598494
  H      -3.860666      5.729352      3.238546
  H      -8.237926      7.933635      4.978162
  H      -9.554776      6.085733      0.984510
  H      -8.364538      4.938413     -0.889065
  H      -5.893752      4.645441     -0.803735
  H      -4.592811      5.512879      1.109167
  H      -6.287031      1.224011      7.117161
  H      -6.219670      1.732316      5.418754
  H      -6.366335      3.631212      7.829233
  H      -6.230118      4.134925      6.139907
  H      -8.561957      2.503018      7.297856
  H      -8.569948      4.245997      7.067391
  H      -7.613086      3.517664      2.189396
  H     -12.071821      2.442239      2.267873
  H     -13.718276      1.904546      4.074149
  H     -13.008736      1.950910      6.461665
  H     -10.687363      2.523566      7.067193
  N      -4.746223      3.410764      3.801456
  H      -5.754946      3.546134      3.946929
  H      -4.575526      3.225125      2.812636
98
Coordinates from ORCA-job orca E -6204.362521976304
  N      -1.944372      2.424611      4.166228
  Mo     -3.399392      3.237932      5.279781
  N      -4.474936      2.087110      6.494627
  C      -3.892570      1.748109      7.786406
  C      -2.380926      1.633857      7.636169
  N      -1.855295      2.805086      6.890684
  C      -0.583666      2.509204      6.185464
  C      -0.867272      1.759513      4.891909
  C      -1.752750      4.024633      7.731058
  C      -1.927059      5.252230      6.842293
  N      -3.110537      5.061952      6.003308
  H       0.059040      1.741746      4.284891
  H      -1.104144      0.698007      5.113743
  H      -0.118915      3.474272      5.941121
  H       0.107273      1.949758      6.842398
  H      -2.039568      6.144057      7.484467
  H      -1.014311      5.418187      6.237418
  H      -2.580359      3.994561      8.452743
  H      -0.797881      4.037763      8.288455
  H      -4.283082      0.779973      8.156372
  H      -4.145261      2.498512      8.565563
  H      -2.151338      0.742547      7.035077
  H      -1.878573      1.532139      8.615507
  C      -1.966962      2.100968      2.745510
  C      -2.286092      0.628408      2.431290
  C      -3.635495      0.166717      2.973867
  C      -4.837599      0.553743      2.154383
  N      -4.654696      1.218959      1.015927
  C      -5.756159      1.499022      0.272084
  N      -7.010028      1.176310      0.520358
  C      -7.228472      0.492673      1.688665
  C      -8.549883      0.126614      2.037531
  C      -8.797223     -0.526827      3.229617
  C      -7.736328     -0.849071      4.104572
  C      -6.433899     -0.518396      3.778515
  C      -6.152365      0.161359      2.568546
  C      -3.979491      6.230270      5.888710
  C      -3.613139      7.225434      4.771998
  C      -4.136475      6.776230      3.409358
  C      -5.635559      6.865487      3.263643
  N      -6.332628      7.458072      4.225771
  C      -7.683152      7.524917      4.080331
  N      -8.411079      7.088844      3.073850
  C      -7.718707      6.486013      2.057992
  C      -8.433187      5.988319      0.940752
  C      -7.764259      5.334500     -0.072559
  C      -6.362795      5.155791     -0.009396
  C      -5.640432      5.643571      1.061675
  C      -6.299178      6.324934      2.114980
  C      -5.933780      2.006318      6.433733
  C      -6.631569      3.321198      6.811726
  C      -8.152918      3.272510      6.684578
  C      -8.681751      3.152708      5.275826
  N      -7.860898      3.430807      4.269327
  C      -8.358156      3.369845      3.006181
  N      -9.593514      3.095989      2.642912
  C     -10.461856      2.797117      3.655424
  C     -11.800863      2.466083      3.335705
  C     -12.695171      2.143647      4.337296
  C     -12.286698      2.142876      5.690517
  C     -10.986235      2.463437      6.029886
  C     -10.044278      2.795739      5.023850
  H      -0.978086      2.340966      2.304165
  H      -2.698469      2.746384      2.240670
  H      -1.497145     -0.009828      2.859060
  H      -2.252877      0.492703      1.340090
  H      -3.649634     -0.931314      3.086085
  H      -3.774017      0.567121      3.995403
  H      -5.566053      2.057074     -0.651109
  H      -9.354653      0.404802      1.356954
  H      -9.820927     -0.787256      3.504707
  H      -7.949138     -1.357629      5.046537
  H      -5.620877     -0.762747      4.462464
  H      -5.012539      5.894756      5.725651
  H      -3.978820      6.760107      6.859786
  H      -2.518571      7.338140      4.728336
  H      -4.036218      8.210173      5.019140
  H      -3.677885      7.363047      2.594467
  H      -3.847581      5.725411      3.235630
  H      -8.219240      8.004273      4.906501
  H      -9.516342      6.112979      0.927607
  H      -8.319790      4.930670     -0.920316
  H      -5.852481      4.618700     -0.809484
  H      -4.561284      5.495536      1.105280
  H      -6.287877      1.195952      7.102091
  H      -6.224423      1.729111      5.411001
  H      -6.371812      3.593466      7.847254
  H      -6.242111      4.120286      6.163902
  H      -8.560610      2.453969      7.299528
  H      -8.583373      4.200529      7.104657
  H      -7.637399      3.566556      2.207499
  H     -12.091867      2.474305      2.284280
  H     -13.725945      1.887200      4.086298
  H     -13.005348      1.887425      6.470929
  H     -10.684901      2.463231      7.077710
  N      -4.761464      3.412069      3.805692
  H      -5.769154      3.548969      3.956263
  H      -4.595695      3.225732      2.816127
98
Coordinates from ORCA-job orca E -6204.362869365240
  N      -1.953416      2.438468      4.153366
  Mo     -3.409933      3.239150      5.274124
  N      -4.479944      2.072605      6.478787
  C      -3.895061      1.723579      7.766791
  C      -2.382895      1.619526      7.614648
  N      -1.864488      2.800511      6.879901
  C      -0.591048      2.518851      6.172279
  C      -0.869462      1.777389      4.872834
  C      -1.768877      4.012389      7.732144
  C      -1.950296      5.248253      6.857032
  N      -3.129721      5.058511      6.012144
  H       0.056045      1.772754      4.264398
  H      -1.097386      0.712137      5.085971
  H      -0.132559      3.488913      5.935728
  H       0.103687      1.958931      6.824763
  H      -2.071680      6.131766      7.509051
  H      -1.037174      5.428838      6.256520
  H      -2.595801      3.970943      8.454268
  H      -0.814160      4.025190      8.289698
  H      -4.279688      0.749310      8.126713
  H      -4.151629      2.464717      8.553464
  H      -2.149096      0.735284      7.004795
  H      -1.878946      1.510930      8.592405
  C      -1.982941      2.112706      2.732940
  C      -2.293033      0.637193      2.422789
  C      -3.632729      0.162850      2.978096
  C      -4.846903      0.540193      2.171896
  N      -4.678463      1.191574      1.023592
  C      -5.789723      1.468496      0.293375
  N      -7.041332      1.157157      0.566137
  C      -7.244478      0.484362      1.743417
  C      -8.562072      0.127545      2.115467
  C      -8.793854     -0.518970      3.314422
  C      -7.720359     -0.843107      4.173534
  C      -6.422031     -0.519601      3.825509
  C      -6.156121      0.153943      2.608329
  C      -3.990635      6.230931      5.885150
  C      -3.600315      7.225928      4.776216
  C      -4.113311      6.789230      3.405783
  C      -5.609567      6.895742      3.244238
  N      -6.308673      7.503279      4.195493
  C      -7.656869      7.584277      4.036970
  N      -8.380668      7.147267      3.027805
  C      -7.685629      6.530308      2.022410
  C      -8.395775      6.030138      0.903428
  C      -7.724222      5.364569     -0.100569
  C      -6.324348      5.177317     -0.026429
  C      -5.606452      5.665570      1.047165
  C      -6.268069      6.357020      2.091997
  C      -5.937966      1.989870      6.419349
  C      -6.641990      3.294914      6.820465
  C      -8.162707      3.233909      6.691141
  C      -8.691142      3.140827      5.280068
  N      -7.874099      3.446039      4.278569
  C      -8.372895      3.409244      3.015207
  N      -9.606613      3.133437      2.647699
  C     -10.470428      2.804039      3.654442
  C     -11.805980      2.464484      3.329026
  C     -12.694746      2.108708      4.324263
  C     -12.284477      2.082702      5.676596
  C     -10.987416      2.411372      6.021493
  C     -10.050918      2.776952      5.021914
  H      -0.999260      2.358866      2.283471
  H      -2.723192      2.751924      2.233143
  H      -1.494672      0.006280      2.843853
  H      -2.267715      0.501326      1.331417
  H      -3.633631     -0.935402      3.089559
  H      -3.766223      0.560451      4.001269
  H      -5.611656      2.014166     -0.639499
  H      -9.376189      0.405141      1.445884
  H      -9.814369     -0.773665      3.606302
  H      -7.920359     -1.346937      5.120816
  H      -5.599757     -0.763170      4.498666
  H      -5.022338      5.899503      5.704068
  H      -4.004050      6.759546      6.856874
  H      -2.504094      7.325513      4.744348
  H      -4.014000      8.214752      5.022716
  H      -3.639432      7.376033      2.599617
  H      -3.832462      5.736690      3.229509
  H      -8.195029      8.076871      4.853915
  H      -9.477757      6.163362      0.881390
  H      -8.276212      4.959512     -0.950031
  H      -5.811845      4.633674     -0.820777
  H      -4.528641      5.510836      1.098667
  H      -6.290139      1.166706      7.073147
  H      -6.228302      1.731620      5.392005
  H      -6.384249      3.551022      7.860554
  H      -6.257695      4.107409      6.185959
  H      -8.560501      2.395298      7.285312
  H      -8.605318      4.145332      7.134231
  H      -7.654224      3.626218      2.220198
  H     -12.098486      2.492321      2.278364
  H     -13.722577      1.844993      4.068708
  H     -12.998840      1.800939      6.451871
  H     -10.684344      2.391058      7.068591
  N      -4.775313      3.421755      3.803806
  H      -5.781815      3.562849      3.958997
  H      -4.615305      3.235617      2.813326
98
Coordinates from ORCA-job orca E -6204.363188275071
  N      -1.968436      2.447349      4.149828
  Mo     -3.419107      3.245739      5.278997
  N      -4.479983      2.074119      6.486275
  C      -3.888556      1.722559      7.770692
  C      -2.376768      1.623290      7.610728
  N      -1.866122      2.807432      6.875532
  C      -0.594823      2.531694      6.161939
  C      -0.876314      1.791308      4.862148
  C      -1.770460      4.017285      7.731025
  C      -1.959124      5.255830      6.861917
  N      -3.138404      5.064084      6.017548
  H       0.045576      1.794026      4.248318
  H      -1.097480      0.724337      5.073266
  H      -0.140504      3.503699      5.924858
  H       0.104562      1.973474      6.810826
  H      -2.084283      6.136038      7.517859
  H      -1.047770      5.444302      6.260724
  H      -2.593577      3.971356      8.457372
  H      -0.813651      4.030975      8.284794
  H      -4.268763      0.745923      8.128768
  H      -4.143500      2.460931      8.560363
  H      -2.143869      0.740796      6.997994
  H      -1.866932      1.513929      8.585320
  C      -2.007689      2.118845      2.730040
  C      -2.317581      0.642259      2.424325
  C      -3.655629      0.166989      2.982792
  C      -4.870986      0.550092      2.182237
  N      -4.701714      1.213645      1.041039
  C      -5.813078      1.506722      0.317695
  N      -7.066702      1.207840      0.595039
  C      -7.270447      0.520396      1.763553
  C      -8.589722      0.171689      2.136875
  C      -8.821637     -0.498686      3.322668
  C      -7.746377     -0.854967      4.166883
  C      -6.446985     -0.536254      3.818831
  C      -6.180521      0.162284      2.615686
  C      -3.990992      6.240046      5.874244
  C      -3.579567      7.227553      4.766254
  C      -4.083368      6.792760      3.391852
  C      -5.577051      6.910713      3.215799
  N      -6.278433      7.537198      4.152965
  C      -7.624901      7.624208      3.984010
  N      -8.345241      7.172785      2.978517
  C      -7.647227      6.537365      1.986874
  C      -8.353450      6.022003      0.872299
  C      -7.678205      5.342390     -0.119891
  C      -6.278621      5.155943     -0.037937
  C      -5.565105      5.655878      1.032916
  C      -6.230484      6.361332      2.065987
  C      -5.936844      1.984536      6.430670
  C      -6.652288      3.277228      6.852534
  C      -8.171547      3.194538      6.718150
  C      -8.696935      3.128040      5.304441
  N      -7.884496      3.468882      4.310882
  C      -8.382467      3.457162      3.046748
  N      -9.611760      3.171389      2.671595
  C     -10.470429      2.803032      3.669578
  C     -11.799970      2.448867      3.334974
  C     -12.682499      2.052496      4.320407
  C     -12.272408      2.000001      5.671922
  C     -10.981471      2.343128      6.025899
  C     -10.051219      2.749693      5.036354
  H      -1.027670      2.365424      2.273057
  H      -2.752654      2.755978      2.234440
  H      -1.517832      0.013156      2.845544
  H      -2.293308      0.503612      1.333167
  H      -3.655367     -0.931693      3.089203
  H      -3.786119      0.560996      4.007724
  H      -5.633975      2.056922     -0.612117
  H      -9.404798      0.470553      1.477619
  H      -9.843239     -0.748754      3.614750
  H      -7.945933     -1.379416      5.102968
  H      -5.623660     -0.802369      4.482110
  H      -5.021525      5.911279      5.680526
  H      -4.015573      6.773643      6.843137
  H      -2.482132      7.315171      4.743206
  H      -3.984463      8.221434      5.006414
  H      -3.597044      7.376178      2.590532
  H      -3.807521      5.738546      3.219015
  H      -8.165246      8.134442      4.788578
  H      -9.435095      6.157155      0.843526
  H      -8.226899      4.926061     -0.966006
  H      -5.763156      4.602931     -0.824004
  H      -4.487561      5.501330      1.090305
  H      -6.283693      1.148969      7.071568
  H      -6.227291      1.742746      5.399668
  H      -6.399795      3.519023      7.897198
  H      -6.275818      4.104002      6.231424
  H      -8.553329      2.330972      7.287060
  H      -8.634090      4.082978      7.186631
  H      -7.667117      3.706410      2.258194
  H     -12.092640      2.497671      2.285120
  H     -13.705309      1.776768      4.057422
  H     -12.981924      1.686161      6.439303
  H     -10.678175      2.302239      7.072300
  N      -4.797010      3.431044      3.821280
  H      -5.801348      3.576497      3.988524
  H      -4.650826      3.241208      2.829281
98
Coordinates from ORCA-job orca E -6204.363502484829
  N      -1.977934      2.462631      4.143701
  Mo     -3.434754      3.242109      5.278005
  N      -4.487490      2.054857      6.477924
  C      -3.893712      1.701704      7.760885
  C      -2.381095      1.613049      7.600894
  N      -1.878536      2.804839      6.872332
  C      -0.605439      2.542333      6.157082
  C      -0.881310      1.809763      4.851743
  C      -1.790752      4.009465      7.735279
  C      -1.988178      5.252665      6.874901
  N      -3.164499      5.057433      6.027419
  H       0.040986      1.824869      4.238579
  H      -1.094527      0.739520      5.054004
  H      -0.156577      3.518871      5.928300
  H       0.096899      1.983020      6.801843
  H      -2.122054      6.127075      7.536991
  H      -1.077160      5.453135      6.276961
  H      -2.611787      3.953204      8.463147
  H      -0.833451      4.026108      8.288182
  H      -4.267652      0.720935      8.114463
  H      -4.153300      2.434802      8.553895
  H      -2.141602      0.734808      6.984464
  H      -1.871051      1.502537      8.575236
  C      -2.014686      2.144782      2.721379
  C      -2.308486      0.667344      2.403847
  C      -3.639247      0.173803      2.963058
  C      -4.862151      0.558243      2.173602
  N      -4.704791      1.218154      1.028893
  C      -5.823996      1.510090      0.316528
  N      -7.074258      1.211518      0.607806
  C      -7.265624      0.526990      1.780139
  C      -8.580605      0.176537      2.166665
  C      -8.799848     -0.492217      3.355791
  C      -7.715824     -0.844463      4.190425
  C      -6.420325     -0.524005      3.829388
  C      -6.167072      0.172140      2.622175
  C      -4.010858      6.236153      5.872444
  C      -3.575889      7.221085      4.771170
  C      -4.060956      6.785542      3.390499
  C      -5.550623      6.918727      3.192372
  N      -6.255125      7.566508      4.112519
  C      -7.597423      7.673129      3.923451
  N      -8.310700      7.221846      2.913058
  C      -7.609581      6.562463      1.939524
  C      -8.309193      6.042786      0.822685
  C      -7.632281      5.337025     -0.149655
  C      -6.237121      5.129210     -0.045784
  C      -5.529479      5.633731      1.026890
  C      -6.197023      6.364614      2.040690
  C      -5.944127      1.961948      6.424118
  C      -6.662797      3.245744      6.868672
  C      -8.182073      3.160309      6.736729
  C      -8.714524      3.111959      5.324659
  N      -7.907943      3.463099      4.329728
  C      -8.414754      3.466519      3.068246
  N      -9.648329      3.192352      2.699043
  C     -10.500706      2.813000      3.698290
  C     -11.833158      2.465563      3.368339
  C     -12.708968      2.055897      4.354289
  C     -12.289101      1.983371      5.701807
  C     -10.995132      2.319688      6.051198
  C     -10.071355      2.738785      5.060847
  H      -1.038706      2.406953      2.264349
  H      -2.768199      2.777817      2.233395
  H      -1.500483      0.043126      2.816379
  H      -2.287989      0.538388      1.311565
  H      -3.630060     -0.926853      3.050562
  H      -3.766384      0.548287      3.995470
  H      -5.654769      2.058159     -0.616351
  H      -9.402560      0.472522      1.514723
  H      -9.818154     -0.743359      3.658200
  H      -7.905477     -1.367392      5.129447
  H      -5.589989     -0.786813      4.485322
  H      -5.039131      5.910978      5.661960
  H      -4.048994      6.769792      6.841055
  H      -2.477591      7.301114      4.765633
  H      -3.977345      8.218367      5.002506
  H      -3.556903      7.361558      2.594637
  H      -3.790814      5.728781      3.225590
  H      -8.140789      8.201353      4.714259
  H      -9.387955      6.195235      0.777184
  H      -8.176383      4.916953     -0.996935
  H      -5.720444      4.556813     -0.816889
  H      -4.455287      5.463266      1.100350
  H      -6.288318      1.114807      7.051162
  H      -6.235620      1.737911      5.389403
  H      -6.408679      3.472097      7.916295
  H      -6.289611      4.082683      6.259269
  H      -8.558444      2.287113      7.294418
  H      -8.646874      4.040215      7.218532
  H      -7.704681      3.723413      2.277014
  H     -12.133277      2.529813      2.321430
  H     -13.733981      1.785079      4.094812
  H     -12.993606      1.659728      6.469746
  H     -10.684521      2.264041      7.094764
  N      -4.816300      3.426836      3.823794
  H      -5.819836      3.569926      3.996274
  H      -4.674206      3.241356      2.830388
98
Coordinates from ORCA-job orca E -6204.363798315262
  N      -1.988464      2.476783      4.131553
  Mo     -3.443733      3.247082      5.273376
  N      -4.486940      2.046361      6.468208
  C      -3.887745      1.687209      7.746962
  C      -2.375078      1.608059      7.582266
  N      -1.882125      2.808303      6.860970
  C      -0.609307      2.559966      6.140242
  C      -0.883776      1.830520      4.832874
  C      -1.800842      4.006484      7.733369
  C      -2.007809      5.255999      6.884627
  N      -3.180923      5.058946      6.033384
  H       0.036100      1.856236      4.216266
  H      -1.086883      0.757705      5.031604
  H      -0.169847      3.541424      5.914491
  H       0.100139      2.003692      6.779888
  H      -2.151757      6.122073      7.555710
  H      -1.097261      5.472031      6.291257
  H      -2.620128      3.938082      8.462030
  H      -0.842829      4.025157      8.285028
  H      -4.255707      0.701906      8.094158
  H      -4.149153      2.412814      8.546161
  H      -2.131813      0.735483      6.959368
  H      -1.861771      1.494096      8.554510
  C      -2.036028      2.153634      2.710909
  C      -2.326362      0.673849      2.400749
  C      -3.651574      0.175942      2.969941
  C      -4.882249      0.552828      2.187950
  N      -4.735523      1.206278      1.037818
  C      -5.861086      1.491581      0.332803
  N      -7.108819      1.196300      0.638040
  C      -7.289457      0.519511      1.816406
  C      -8.601358      0.175786      2.219223
  C      -8.809652     -0.487854      3.413169
  C      -7.717444     -0.841883      4.236175
  C      -6.424944     -0.525919      3.860401
  C      -6.182816      0.166513      2.648889
  C      -4.021917      6.240342      5.867974
  C      -3.565311      7.228110      4.777706
  C      -4.035417      6.803266      3.388448
  C      -5.522312      6.944031      3.174471
  N      -6.231630      7.602796      4.083137
  C      -7.571120      7.717289      3.879573
  N      -8.277607      7.261104      2.866575
  C      -7.571606      6.588745      1.905595
  C      -8.264403      6.060909      0.788211
  C      -7.581809      5.346373     -0.173649
  C      -6.187410      5.138287     -0.059055
  C      -5.487040      5.647628      1.016017
  C      -6.160736      6.386298      2.020168
  C      -5.942595      1.942765      6.416407
  C      -6.672389      3.210739      6.887056
  C      -8.190449      3.111306      6.752273
  C      -8.721657      3.093556      5.338995
  N      -7.916446      3.472829      4.353389
  C      -8.421721      3.499660      3.091520
  N      -9.652674      3.225049      2.714308
  C     -10.504055      2.819068      3.704233
  C     -11.833943      2.471217      3.365057
  C     -12.708237      2.033850      4.340564
  C     -12.289029      1.933111      5.686406
  C     -10.997502      2.269681      6.044792
  C     -10.075659      2.717371      5.065281
  H      -1.064626      2.417869      2.245203
  H      -2.795925      2.781944      2.226943
  H      -1.512921      0.054333      2.809832
  H      -2.312968      0.541031      1.308894
  H      -3.637106     -0.924572      3.058896
  H      -3.772802      0.550552      4.002912
  H      -5.700234      2.031290     -0.606322
  H      -9.429162      0.471795      1.574725
  H      -9.825372     -0.734196      3.727956
  H      -7.898238     -1.361720      5.178669
  H      -5.588770     -0.788768      4.508729
  H      -5.047184      5.917237      5.640003
  H      -4.074636      6.771376      6.837413
  H      -2.466484      7.299709      4.786956
  H      -3.962208      8.227082      5.008785
  H      -3.519995      7.383264      2.602674
  H      -3.766382      5.747017      3.219531
  H      -8.118668      8.256571      4.659936
  H      -9.342415      6.215742      0.733364
  H      -8.120524      4.920834     -1.021661
  H      -5.665676      4.560924     -0.822919
  H      -4.413793      5.475437      1.098729
  H      -6.278135      1.080544      7.027458
  H      -6.234868      1.736384      5.378323
  H      -6.421792      3.418205      7.939467
  H      -6.306528      4.063322      6.295209
  H      -8.555655      2.218006      7.285263
  H      -8.666828      3.970921      7.258385
  H      -7.712003      3.774842      2.306604
  H     -12.133344      2.557236      2.319510
  H     -13.731239      1.762467      4.073886
  H     -12.992073      1.587275      6.445963
  H     -10.687492      2.192100      7.087167
  N      -4.830506      3.439237      3.824981
  H      -5.833412      3.578434      4.003608
  H      -4.693869      3.257681      2.830163
98
Coordinates from ORCA-job orca E -6204.364096411319
  N      -2.005597      2.490759      4.122414
  Mo     -3.455847      3.254326      5.274239
  N      -4.488425      2.043649      6.468652
  C      -3.882235      1.681672      7.743252
  C      -2.369889      1.608952      7.571555
  N      -1.885299      2.814086      6.852508
  C      -0.615515      2.574375      6.123571
  C      -0.893727      1.847964      4.815212
  C      -1.803990      4.008274      7.730445
  C      -2.020961      5.262013      6.890852
  N      -3.194401      5.063220      6.041122
  H       0.022584      1.880808      4.193553
  H      -1.090089      0.773437      5.011229
  H      -0.182250      3.558844      5.899008
  H       0.100262      2.019148      6.757085
  H      -2.170368      6.121928      7.568860
  H      -1.112954      5.489783      6.297766
  H      -2.618115      3.932092      8.464121
  H      -0.842827      4.028361      8.276563
  H      -4.245489      0.693724      8.087896
  H      -4.142628      2.402893      8.546639
  H      -2.125275      0.739386      6.945153
  H      -1.851825      1.494223      8.541191
  C      -2.062562      2.169564      2.701589
  C      -2.348413      0.689308      2.390060
  C      -3.667975      0.182629      2.965530
  C      -4.904669      0.559620      2.192814
  N      -4.765733      1.213321      1.041973
  C      -5.895908      1.497969      0.344145
  N      -7.141732      1.204609      0.658256
  C      -7.314585      0.527126      1.837153
  C      -8.624020      0.183895      2.248442
  C      -8.824297     -0.485056      3.440736
  C      -7.726399     -0.844624      4.253568
  C      -6.436319     -0.527105      3.870604
  C      -6.202183      0.171309      2.661046
  C      -4.028887      6.248025      5.866567
  C      -3.554015      7.235041      4.783225
  C      -4.008195      6.813945      3.387597
  C      -5.491988      6.958779      3.155411
  N      -6.208862      7.630095      4.048826
  C      -7.545252      7.748566      3.827716
  N      -8.241915      7.283090      2.812013
  C      -7.527718      6.596858      1.867141
  C      -8.209821      6.056929      0.748885
  C      -7.517962      5.331992     -0.198511
  C      -6.124676      5.125314     -0.068252
  C      -5.435358      5.643822      1.009332
  C      -6.118830      6.392468      1.999304
  C      -5.943008      1.929862      6.420656
  C      -6.683883      3.181254      6.917025
  C      -8.200543      3.067567      6.777425
  C      -8.729805      3.076685      5.362887
  N      -7.926265      3.481560      4.386027
  C      -8.430174      3.529183      3.124030
  N      -9.658224      3.252042      2.739503
  C     -10.508003      2.820937      3.720498
  C     -11.834743      2.469921      3.372721
  C     -12.707151      2.007222      4.338375
  C     -12.288838      1.883306      5.682481
  C     -11.000176      2.222446      6.049163
  C     -10.080688      2.696291      5.079882
  H      -1.095646      2.438817      2.229338
  H      -2.828597      2.795549      2.224329
  H      -1.529320      0.072544      2.791899
  H      -2.341766      0.559391      1.297780
  H      -3.648693     -0.918612      3.045744
  H      -3.783536      0.548310      4.002300
  H      -5.741066      2.035828     -0.596948
  H      -9.455970      0.483149      1.610742
  H      -9.838015     -0.731438      3.761989
  H      -7.900744     -1.369748      5.194350
  H      -5.596061     -0.794012      4.511940
  H      -5.052046      5.927572      5.626144
  H      -4.091497      6.778892      6.835724
  H      -2.455041      7.300835      4.806020
  H      -3.948303      8.235823      5.010383
  H      -3.481827      7.395030      2.609785
  H      -3.738325      5.758048      3.219358
  H      -8.099583      8.299761      4.594841
  H      -9.287115      6.211997      0.681526
  H      -8.048317      4.897849     -1.047449
  H      -5.595219      4.541130     -0.821367
  H      -4.363137      5.471953      1.104733
  H      -6.269581      1.052654      7.015162
  H      -6.237110      1.742197      5.379754
  H      -6.437374      3.369439      7.974021
  H      -6.324477      4.048916      6.343571
  H      -8.554804      2.156095      7.286860
  H      -8.689214      3.907061      7.304863
  H      -7.722241      3.826899      2.345546
  H     -12.133298      2.573846      2.328564
  H     -13.727725      1.733406      4.065001
  H     -12.990167      1.517220      6.434111
  H     -10.690692      2.126399      7.090192
  N      -4.852563      3.451849      3.836521
  H      -5.853447      3.592911      4.025538
  H      -4.726315      3.272522      2.839869
98
Coordinates from ORCA-job orca E -6204.364386105629
  N      -2.025702      2.508386      4.111879
  Mo     -3.468978      3.264842      5.276199
  N      -4.488669      2.042878      6.470720
  C      -3.873559      1.677787      7.740061
  C      -2.361769      1.612215      7.559560
  N      -1.886972      2.822916      6.842982
  C      -0.621703      2.593105      6.103192
  C      -0.905798      1.869319      4.794565
  C      -1.804720      4.012602      7.726979
  C      -2.033487      5.270928      6.897654
  N      -3.207960      5.070333      6.050561
  H       0.006059      1.908772      4.166652
  H      -1.094946      0.793151      4.988651
  H      -0.196524      3.581158      5.878722
  H       0.102449      2.039834      6.728904
  H      -2.188421      6.123708      7.583690
  H      -1.128726      5.511841      6.304626
  H      -2.612513      3.927469      8.466683
  H      -0.839566      4.034399      8.265890
  H      -4.231487      0.687030      8.082307
  H      -4.131929      2.394015      8.548512
  H      -2.115831      0.746137      6.929033
  H      -1.837973      1.496765      8.526033
  C      -2.093204      2.189785      2.690877
  C      -2.375541      0.709419      2.378059
  C      -3.690481      0.196502      2.959296
  C      -4.931113      0.573895      2.193398
  N      -4.797438      1.230281      1.043563
  C      -5.930416      1.513368      0.349796
  N      -7.174827      1.219079      0.667993
  C      -7.342712      0.539856      1.846410
  C      -8.650410      0.195198      2.262054
  C      -8.845419     -0.479277      3.452044
  C      -7.744020     -0.843002      4.258031
  C      -6.455553     -0.522566      3.871711
  C      -6.226635      0.182084      2.664878
  C      -4.036816      6.258118      5.868460
  C      -3.544907      7.245311      4.792871
  C      -3.978072      6.825019      3.390416
  C      -5.458766      6.966218      3.137071
  N      -6.188095      7.646059      4.013702
  C      -7.521507      7.760681      3.772864
  N      -8.203889      7.282162      2.753442
  C      -7.476324      6.586197      1.826119
  C      -8.142863      6.030337      0.706204
  C      -7.436813      5.296827     -0.223983
  C      -6.044355      5.097300     -0.074500
  C      -5.370541      5.630162      1.005615
  C      -6.068987      6.386893      1.978783
  C      -5.942032      1.915919      6.427720
  C      -6.694943      3.148651      6.951118
  C      -8.210370      3.022247      6.806903
  C      -8.739151      3.058977      5.392094
  N      -7.937942      3.488948      4.423786
  C      -8.441726      3.557409      3.162542
  N      -9.667200      3.278085      2.771492
  C     -10.514969      2.823595      3.743996
  C     -11.839357      2.471437      3.388961
  C     -12.709713      1.985728      4.345353
  C     -12.291101      1.838740      5.686934
  C     -11.004391      2.178328      6.060574
  C     -10.087501      2.676125      5.100962
  H      -1.130819      2.463718      2.212010
  H      -2.865212      2.813788      2.220511
  H      -1.551878      0.094489      2.773234
  H      -2.375538      0.581956      1.285419
  H      -3.668862     -0.905280      3.032475
  H      -3.800151      0.555553      3.998933
  H      -5.779117      2.050645     -0.592121
  H      -9.484833      0.497328      1.628892
  H      -9.857782     -0.726354      3.777142
  H      -7.914192     -1.373657      5.196477
  H      -5.612759     -0.792903      4.508284
  H      -5.057360      5.939676      5.615345
  H      -4.109216      6.787742      6.837821
  H      -2.446316      7.309781      4.831987
  H      -3.941040      8.246510      5.014643
  H      -3.442554      7.409386      2.621270
  H      -3.701993      5.770779      3.223777
  H      -8.086815      8.320148      4.525838
  H      -9.219933      6.180009      0.624273
  H      -7.955280      4.850303     -1.073859
  H      -5.503455      4.506204     -0.813655
  H      -4.299183      5.462596      1.116973
  H      -6.256589      1.023026      7.005323
  H      -6.239129      1.746000      5.384726
  H      -6.452222      3.315924      8.012527
  H      -6.342297      4.032013      6.398138
  H      -8.554509      2.094046      7.292843
  H      -8.709215      3.841856      7.355500
  H      -7.736516      3.877951      2.390282
  H     -12.137978      2.593053      2.346735
  H     -13.728632      1.711443      4.066376
  H     -12.990465      1.454231      6.431185
  H     -10.694603      2.063744      7.099655
  N      -4.877852      3.469333      3.852508
  H      -5.876382      3.609245      4.055063
  H      -4.763969      3.295792      2.853268
98
Coordinates from ORCA-job orca E -6204.364644696077
  N      -2.044900      2.525206      4.100814
  Mo     -3.482637      3.273536      5.276332
  N      -4.490868      2.039864      6.468969
  C      -3.867556      1.670001      7.732936
  C      -2.356401      1.612105      7.544887
  N      -1.891119      2.829023      6.832661
  C      -0.629272      2.609691      6.083920
  C      -0.917474      1.889618      4.774050
  C      -1.809509      4.013368      7.723874
  C      -2.048957      5.276690      6.905395
  N      -3.223466      5.075757      6.058657
  H      -0.009616      1.936235      4.140831
  H      -1.099743      0.811704      4.965002
  H      -0.211590      3.601324      5.860938
  H       0.102131      2.058031      6.702595
  H      -2.208918      6.122306      7.599311
  H      -1.146843      5.529845      6.313296
  H      -2.612059      3.918877      8.468193
  H      -0.841277      4.036321      8.257113
  H      -4.219936      0.675881      8.071216
  H      -4.124553      2.380302      8.547009
  H      -2.108842      0.750347      6.909143
  H      -1.827598      1.494657      8.508390
  C      -2.121847      2.209329      2.679516
  C      -2.399211      0.728378      2.365082
  C      -3.708424      0.206929      2.952021
  C      -4.955520      0.580289      2.194209
  N      -4.831836      1.234909      1.042305
  C      -5.970518      1.514266      0.356375
  N      -7.212194      1.220867      0.685760
  C      -7.370056      0.544018      1.866874
  C      -8.674149      0.200361      2.294405
  C      -8.858722     -0.475369      3.485358
  C      -7.750170     -0.841279      4.280434
  C      -6.465159     -0.520266      3.883204
  C      -6.246802      0.186273      2.675533
  C      -4.047074      6.266342      5.870577
  C      -3.538001      7.254959      4.804397
  C      -3.948890      6.837665      3.394481
  C      -5.425732      6.978536      3.119257
  N      -6.165906      7.666540      3.980223
  C      -7.495759      7.780853      3.720057
  N      -8.164906      7.293328      2.696158
  C      -7.425662      6.588609      1.784822
  C      -8.078187      6.020905      0.662559
  C      -7.360002      5.279853     -0.252198
  C      -5.968794      5.085241     -0.085193
  C      -5.308957      5.628232      0.998274
  C      -6.020402      6.391203      1.956995
  C      -5.942998      1.901183      6.430637
  C      -6.706050      3.116273      6.979621
  C      -8.220233      2.978541      6.830856
  C      -8.748763      3.041333      5.416706
  N      -7.949635      3.493877      4.457025
  C      -8.452736      3.581466      3.196767
  N      -9.676131      3.301874      2.799393
  C     -10.522172      2.825666      3.763095
  C     -11.844064      2.471843      3.400691
  C     -12.712175      1.963591      4.347477
  C     -12.293625      1.794920      5.686427
  C     -11.009198      2.135645      6.067208
  C     -10.094741      2.656389      5.117512
  H      -1.164510      2.489135      2.193898
  H      -2.900550      2.830594      2.216539
  H      -1.570318      0.116486      2.754009
  H      -2.404849      0.603567      1.272168
  H      -3.680967     -0.895070      3.020208
  H      -3.813676      0.560500      3.993936
  H      -5.827105      2.048081     -0.588645
  H      -9.513982      0.503376      1.668825
  H      -9.868251     -0.721793      3.819660
  H      -7.911972     -1.373578      5.219434
  H      -5.616892     -0.791167      4.512182
  H      -5.065077      5.950649      5.603932
  H      -4.129282      6.793302      6.840688
  H      -2.440115      7.318874      4.860779
  H      -3.936768      8.256040      5.021749
  H      -3.402735      7.425554      2.635486
  H      -3.668230      5.784696      3.228531
  H      -8.070471      8.348007      4.460015
  H      -9.154471      6.168007      0.566569
  H      -7.867661      4.824920     -1.104155
  H      -5.417565      4.489976     -0.813451
  H      -4.238748      5.463346      1.124035
  H      -6.246725      0.994494      6.992509
  H      -6.243372      1.748049      5.386224
  H      -6.466053      3.263329      8.044639
  H      -6.360053      4.014158      6.445992
  H      -8.555245      2.035665      7.294598
  H      -8.727981      3.779359      7.398497
  H      -7.748777      3.919652      2.431007
  H     -12.142623      2.610098      2.360528
  H     -13.729187      1.688174      4.062716
  H     -12.991090      1.392684      6.423058
  H     -10.699390      2.003935      7.104246
  N      -4.900198      3.483785      3.863266
  H      -5.897074      3.620780      4.075592
  H      -4.795102      3.317844      2.861763
98
Coordinates from ORCA-job orca E -6204.364916185452
  N      -2.067382      2.543121      4.090557
  Mo     -3.496360      3.284309      5.280458
  N      -4.491249      2.039273      6.472751
  C      -3.857669      1.664770      7.730180
  C      -2.347446      1.614451      7.532227
  N      -1.892507      2.837247      6.823319
  C      -0.636217      2.628497      6.062367
  C      -0.931336      1.911361      4.752350
  C      -1.808987      4.016571      7.720965
  C      -2.060976      5.284703      6.913842
  N      -3.236874      5.083542      6.069510
  H      -0.028670      1.964221      4.112244
  H      -1.106363      0.831832      4.941323
  H      -0.227795      3.623983      5.838927
  H       0.104657      2.079648      6.672231
  H      -2.224831      6.122681      7.616321
  H      -1.162628      5.550544      6.321416
  H      -2.604186      3.912817      8.472010
  H      -0.836233      4.040833      8.245707
  H      -4.204104      0.667452      8.065254
  H      -4.111709      2.369137      8.550397
  H      -2.099329      0.756925      6.891083
  H      -1.812277      1.495296      8.491992
  C      -2.154076      2.232713      2.668474
  C      -2.427663      0.752153      2.349964
  C      -3.731842      0.223573      2.941959
  C      -4.983642      0.594281      2.190642
  N      -4.867145      1.250986      1.039407
  C      -6.009479      1.527143      0.358235
  N      -7.248961      1.231789      0.693512
  C      -7.399919      0.554419      1.875170
  C      -8.701397      0.209292      2.309383
  C      -8.878807     -0.469792      3.499438
  C      -7.765506     -0.837845      4.286924
  C      -6.483052     -0.514523      3.883483
  C      -6.271911      0.196343      2.677081
  C      -4.055808      6.276971      5.877632
  C      -3.533736      7.265898      4.818126
  C      -3.919150      6.847522      3.401395
  C      -5.391907      6.982865      3.101364
  N      -6.146110      7.677937      3.944210
  C      -7.472074      7.787555      3.662479
  N      -8.124798      7.287836      2.633894
  C      -7.370542      6.575422      1.740984
  C      -8.005557      5.993297      0.616050
  C      -7.272224      5.245104     -0.280600
  C      -5.882724      5.057789     -0.092554
  C      -5.239944      5.615209      0.993567
  C      -5.967405      6.384245      1.935068
  C      -5.942027      1.886262      6.440169
  C      -6.716393      3.083869      7.010577
  C      -8.229472      2.935360      6.857536
  C      -8.758811      3.023180      5.444724
  N      -7.962814      3.498331      4.493006
  C      -8.466533      3.605269      3.234570
  N      -9.687755      3.323424      2.831650
  C     -10.531236      2.826619      3.787248
  C     -11.851118      2.471690      3.418948
  C     -12.716567      1.942852      4.357014
  C     -12.297170      1.754008      5.692858
  C     -11.014513      2.095478      6.079456
  C     -10.102880      2.637183      5.138781
  H      -1.201668      2.518393      2.176620
  H      -2.938983      2.852521      2.213936
  H      -1.594418      0.141597      2.731667
  H      -2.439042      0.631843      1.256591
  H      -3.699986     -0.878592      3.006073
  H      -3.832801      0.573169      3.985602
  H      -5.871286      2.060516     -0.587726
  H      -9.544787      0.513417      1.689098
  H      -9.886320     -0.717142      3.839198
  H      -7.921544     -1.373495      5.224979
  H      -5.630928     -0.787012      4.506615
  H      -5.071852      5.963721      5.601158
  H      -4.143885      6.801786      6.848450
  H      -2.437149      7.334506      4.892596
  H      -3.939604      8.265680      5.028473
  H      -3.363691      7.439592      2.652420
  H      -3.630188      5.796571      3.237880
  H      -8.058734      8.361468      4.387683
  H      -9.081030      6.135110      0.503875
  H      -7.766705      4.779206     -1.134405
  H      -5.318923      4.456707     -0.806337
  H      -4.171186      5.454680      1.136691
  H      -6.232238      0.967646      6.989789
  H      -6.246521      1.744381      5.395386
  H      -6.479075      3.213143      8.078533
  H      -6.377711      3.995082      6.494898
  H      -8.556329      1.979671      7.300579
  H      -8.744265      3.718293      7.443478
  H      -7.764932      3.962989      2.475051
  H     -12.150483      2.625373      2.381181
  H     -13.732101      1.666898      4.067523
  H     -12.992365      1.335744      6.422683
  H     -10.704025      1.947868      7.114132
  N      -4.924984      3.501666      3.882148
  H      -5.919485      3.634709      4.107970
  H      -4.831105      3.347140      2.877720
98
Coordinates from ORCA-job orca E -6204.365071934688
  N      -2.091042      2.581934      4.065659
  Mo     -3.520429      3.294053      5.272058
  N      -4.508683      2.027842      6.447831
  C      -3.869385      1.634154      7.696466
  C      -2.359692      1.591841      7.490882
  N      -1.912506      2.828866      6.802570
  C      -0.655355      2.639928      6.037672
  C      -0.948191      1.946486      4.714142
  C      -1.835310      3.992163      7.721947
  C      -2.091243      5.272926      6.937489
  N      -3.265244      5.080982      6.088197
  H      -0.047410      2.019720      4.073154
  H      -1.116074      0.862473      4.881102
  H      -0.249022      3.640155      5.833823
  H       0.087103      2.081986      6.637248
  H      -2.258553      6.099492      7.652534
  H      -1.193416      5.550581      6.349742
  H      -2.629937      3.871978      8.470852
  H      -0.863345      4.011365      8.248812
  H      -4.210259      0.629751      8.015251
  H      -4.122643      2.324274      8.528493
  H      -2.112716      0.746549      6.833212
  H      -1.819609      1.456150      8.445707
  C      -2.184849      2.284189      2.641381
  C      -2.442263      0.801305      2.316367
  C      -3.735366      0.256408      2.917566
  C      -4.999523      0.609752      2.179090
  N      -4.906830      1.246614      1.014495
  C      -6.063829      1.500473      0.348538
  N      -7.295004      1.202593      0.710814
  C      -7.420046      0.543112      1.905072
  C      -8.710769      0.193223      2.366499
  C      -8.861567     -0.474291      3.566875
  C      -7.731487     -0.825488      4.337881
  C      -6.459066     -0.494794      3.908971
  C      -6.275470      0.204685      2.691354
  C      -4.079868      6.275135      5.895606
  C      -3.537804      7.275067      4.858367
  C      -3.891557      6.857230      3.434215
  C      -5.358219      6.976961      3.102425
  N      -6.140759      7.663970      3.925856
  C      -7.459798      7.760353      3.609626
  N      -8.080925      7.252697      2.565230
  C      -7.296078      6.548357      1.692228
  C      -7.894306      5.958217      0.551350
  C      -7.127319      5.223698     -0.329057
  C      -5.740498      5.056697     -0.106769
  C      -5.134422      5.615971      0.999320
  C      -5.896509      6.373465      1.922572
  C      -5.960162      1.883860      6.424699
  C      -6.722565      3.084679      7.006740
  C      -8.236076      2.936220      6.867376
  C      -8.778358      3.023753      5.461203
  N      -7.990267      3.494338      4.502402
  C      -8.506359      3.602741      3.248680
  N      -9.733571      3.329010      2.859847
  C     -10.567142      2.828777      3.822415
  C     -11.889312      2.470260      3.465319
  C     -12.743078      1.933232      4.409250
  C     -12.309734      1.739892      5.740269
  C     -11.024830      2.084696      6.115525
  C     -10.124842      2.634144      5.168243
  H      -1.241025      2.587890      2.144168
  H      -2.983080      2.896830      2.200243
  H      -1.598890      0.200968      2.691413
  H      -2.459252      0.682903      1.222895
  H      -3.688610     -0.845275      2.980607
  H      -3.833555      0.604151      3.962112
  H      -5.946560      2.009979     -0.612775
  H      -9.568200      0.481778      1.758250
  H      -9.860936     -0.726857      3.926110
  H      -7.866713     -1.353038      5.283774
  H      -5.593401     -0.751732      4.519161
  H      -5.089849      5.962469      5.595758
  H      -4.189327      6.791955      6.868731
  H      -2.443340      7.349234      4.954463
  H      -3.953062      8.270857      5.066910
  H      -3.323603      7.454970      2.698985
  H      -3.588234      5.809611      3.276911
  H      -8.070897      8.329132      4.318551
  H      -8.967800      6.088006      0.410433
  H      -7.592832      4.753380     -1.196627
  H      -5.151692      4.466018     -0.807138
  H      -4.066619      5.473410      1.166234
  H      -6.255694      0.964802      6.970522
  H      -6.272244      1.755113      5.380843
  H      -6.474886      3.212108      8.072392
  H      -6.387110      3.993986      6.485411
  H      -8.555782      1.978360      7.311401
  H      -8.749048      3.717798      7.456013
  H      -7.809834      3.948664      2.480401
  H     -12.199227      2.627663      2.431236
  H     -13.759850      1.653265      4.128102
  H     -12.995742      1.314418      6.474611
  H     -10.703024      1.933636      7.146389
  N      -4.958395      3.526705      3.882927
  H      -5.953801      3.647906      4.113829
  H      -4.867967      3.391849      2.875536
98
Coordinates from ORCA-job orca E -6204.365357251270
  N      -2.119574      2.607558      4.049308
  Mo     -3.539051      3.308710      5.272921
  N      -4.515424      2.029658      6.445140
  C      -3.865628      1.626976      7.685454
  C      -2.357295      1.590313      7.468399
  N      -1.918902      2.834439      6.787334
  C      -0.667604      2.656632      6.010279
  C      -0.968827      1.972089      4.683882
  C      -1.838209      3.989465      7.716797
  C      -2.103581      5.277080      6.947181
  N      -3.279850      5.089758      6.100194
  H      -0.073469      2.053182      4.036230
  H      -1.131617      0.886282      4.843984
  H      -0.267488      3.660192      5.810524
  H       0.082459      2.097464      6.599150
  H      -2.271750      6.095206      7.671833
  H      -1.209176      5.565347      6.359244
  H      -2.625808      3.859347      8.471444
  H      -0.862069      4.006865      8.235978
  H      -4.201584      0.619051      7.998177
  H      -4.113903      2.309351      8.525259
  H      -2.112432      0.750957      6.802418
  H      -1.810122      1.448629      8.418306
  C      -2.224460      2.318822      2.623902
  C      -2.476121      0.836094      2.293504
  C      -3.761619      0.282153      2.902598
  C      -5.033507      0.627198      2.173693
  N      -4.954935      1.259824      1.005905
  C      -6.119513      1.502535      0.348703
  N      -7.345656      1.200423      0.723977
  C      -7.456156      0.546350      1.922471
  C      -8.740673      0.192539      2.397882
  C      -8.876575     -0.473155      3.601034
  C      -7.737240     -0.818749      4.360924
  C      -6.470703     -0.482971      3.918746
  C      -6.302399      0.215556      2.698312
  C      -4.087886      6.288087      5.907165
  C      -3.529455      7.289017      4.880401
  C      -3.854508      6.867831      3.450873
  C      -5.314694      6.983145      3.090026
  N      -6.112636      7.680042      3.890018
  C      -7.425101      7.773661      3.546622
  N      -8.026128      7.253206      2.496749
  C      -7.224646      6.538065      1.647888
  C      -7.801171      5.931992      0.504213
  C      -7.017415      5.186258     -0.351709
  C      -5.635022      5.023720     -0.101347
  C      -5.049998      5.598501      1.007859
  C      -5.829774      6.366730      1.906862
  C      -5.965663      1.874896      6.428855
  C      -6.735546      3.061301      7.030322
  C      -8.247737      2.902004      6.889226
  C      -8.792225      3.008608      5.485557
  N      -8.009530      3.501774      4.533799
  C      -8.527928      3.626266      3.282414
  N      -9.752951      3.347228      2.890375
  C     -10.580717      2.823209      3.845350
  C     -11.899259      2.456454      3.483228
  C     -12.746564      1.894778      4.418653
  C     -12.310290      1.684304      5.746084
  C     -11.028820      2.036706      6.126153
  C     -10.135386      2.611110      5.187491
  H      -1.287258      2.631495      2.119889
  H      -3.030899      2.929124      2.194359
  H      -1.626739      0.239101      2.660110
  H      -2.500455      0.721778      1.199751
  H      -3.707270     -0.819295      2.963548
  H      -3.854785      0.627776      3.948265
  H      -6.013765      2.004733     -0.617538
  H      -9.605508      0.475785      1.797676
  H      -9.871254     -0.728885      3.970891
  H      -7.860645     -1.345603      5.308826
  H      -5.597619     -0.734661      4.520314
  H      -5.096083      5.980600      5.595728
  H      -4.203754      6.801288      6.881526
  H      -2.437281      7.367842      4.997114
  H      -3.951953      8.283433      5.080387
  H      -3.274121      7.466623      2.726174
  H      -3.543945      5.821484      3.300708
  H      -8.049378      8.351706      4.236303
  H      -8.871866      6.059280      0.341408
  H      -7.466577      4.703344     -1.220990
  H      -5.033746      4.422072     -0.780566
  H      -3.985416      5.458782      1.196635
  H      -6.250848      0.946455      6.964231
  H      -6.282634      1.757362      5.385282
  H      -6.488420      3.173890      8.097752
  H      -6.407515      3.981278      6.522869
  H      -8.558193      1.933385      7.316394
  H      -8.767564      3.667947      7.492138
  H      -7.835546      3.990952      2.518882
  H     -12.211600      2.627251      2.452007
  H     -13.760401      1.608450      4.133332
  H     -12.991062      1.239381      6.473749
  H     -10.704569      1.872073      7.154197
  N      -4.989611      3.552373      3.900658
  H      -5.982897      3.666773      4.144949
  H      -4.910781      3.434334      2.890295
98
Coordinates from ORCA-job orca E -6204.365660267126
  N      -2.144818      2.631667      4.035604
  Mo     -3.555732      3.323081      5.273865
  N      -4.520917      2.032289      6.442626
  C      -3.861333      1.621025      7.674942
  C      -2.354278      1.590816      7.447705
  N      -1.924916      2.841951      6.773980
  C      -0.678592      2.675982      5.986458
  C      -0.986109      1.998380      4.657984
  C      -1.842203      3.989205      7.712839
  C      -2.116454      5.282832      6.956925
  N      -3.293850      5.099080      6.110892
  H      -0.095819      2.087899      4.004467
  H      -1.142512      0.910831      4.812377
  H      -0.285778      3.683092      5.790013
  H       0.079153      2.117387      6.565959
  H      -2.286823      6.092686      7.690458
  H      -1.224894      5.581928      6.369968
  H      -2.623605      3.849385      8.472192
  H      -0.862595      4.005562      8.225484
  H      -4.192148      0.609460      7.981210
  H      -4.105721      2.295360      8.522318
  H      -2.110864      0.757528      6.773668
  H      -1.800556      1.443607      8.392967
  C      -2.259948      2.348355      2.609868
  C      -2.506200      0.865336      2.276653
  C      -3.786307      0.305016      2.891138
  C      -5.063313      0.641948      2.167080
  N      -4.993747      1.273830      0.998394
  C      -6.162864      1.508379      0.345979
  N      -7.385661      1.202317      0.728647
  C      -7.486951      0.550270      1.928966
  C      -8.767456      0.192915      2.412492
  C      -8.893837     -0.474261      3.615841
  C      -7.748681     -0.817623      4.367985
  C      -6.486061     -0.476899      3.918505
  C      -6.327497      0.223756      2.697966
  C      -4.095124      6.301419      5.915211
  C      -3.520368      7.303179      4.898794
  C      -3.817552      6.880172      3.463972
  C      -5.271321      6.990095      3.076214
  N      -6.083108      7.696195      3.854015
  C      -7.389367      7.785310      3.486693
  N      -7.972461      7.250018      2.434123
  C      -7.156263      6.524466      1.608299
  C      -7.713652      5.900625      0.464708
  C      -6.914635      5.146117     -0.369261
  C      -5.535506      4.992812     -0.096590
  C      -4.969201      5.584331      1.013455
  C      -5.765216      6.360327      1.891183
  C      -5.969920      1.866827      6.432605
  C      -6.747171      3.038961      7.052443
  C      -8.258197      2.867926      6.911612
  C      -8.807575      2.992593      5.511505
  N      -8.031136      3.504555      4.564630
  C      -8.553763      3.642864      3.316374
  N      -9.777533      3.359403      2.923440
  C     -10.598971      2.816459      3.873362
  C     -11.915318      2.443884      3.509329
  C     -12.755817      1.862461      4.438915
  C     -12.314821      1.637689      5.762365
  C     -11.035348      1.995612      6.144302
  C     -10.148798      2.589871      5.211503
  H      -1.328939      2.668486      2.099146
  H      -3.073875      2.955304      2.190010
  H      -1.652403      0.271504      2.638083
  H      -2.535199      0.753075      1.182859
  H      -3.725613     -0.796016      2.953095
  H      -3.876838      0.651482      3.936679
  H      -6.064334      2.007056     -0.622719
  H      -9.636934      0.473259      1.817644
  H      -9.885431     -0.733349      3.991596
  H      -7.864493     -1.346321      5.315815
  H      -5.608255     -0.726375      4.514019
  H      -5.100973      5.998514      5.591630
  H      -4.218520      6.811699      6.890247
  H      -2.430787      7.385849      5.035552
  H      -3.949317      8.296350      5.090770
  H      -3.226234      7.481567      2.750239
  H      -3.498974      5.835551      3.319621
  H      -8.025308      8.372496      4.157730
  H      -8.782109      6.022517      0.283876
  H      -7.349251      4.649761     -1.238386
  H      -4.922478      4.382975     -0.757367
  H      -3.907141      5.450668      1.220022
  H      -6.244677      0.929791      6.958299
  H      -6.292035      1.759350      5.389568
  H      -6.499294      3.138185      8.121019
  H      -6.427732      3.968781      6.557364
  H      -8.557983      1.888835      7.322428
  H      -8.784186      3.617532      7.529392
  H      -7.866142      4.022881      2.556015
  H     -12.231456      2.625816      2.481175
  H     -13.767843      1.571522      4.151830
  H     -12.990114      1.177233      6.485454
  H     -10.707252      1.819669      7.169261
  N      -5.017114      3.576678      3.916444
  H      -6.008818      3.681416      4.172047
  H      -4.947386      3.477483      2.903394
98
Coordinates from ORCA-job orca E -6204.365967886160
  N      -2.173082      2.658663      4.020339
  Mo     -3.574237      3.339327      5.274820
  N      -4.527881      2.036370      6.439824
  C      -3.857654      1.615164      7.663007
  C      -2.352186      1.591136      7.424273
  N      -1.931820      2.849650      6.758897
  C      -0.691202      2.695892      5.960018
  C      -1.006140      2.026852      4.628983
  C      -1.845814      3.988235      7.707966
  C      -2.128576      5.288368      6.966921
  N      -3.307932      5.109383      6.122847
  H      -0.121446      2.125379      3.969186
  H      -1.156213      0.937478      4.776494
  H      -0.305285      3.706518      5.767928
  H       0.074234      2.136936      6.528964
  H      -2.299909      6.089561      7.709845
  H      -1.240237      5.597948      6.380445
  H      -2.620584      3.838554      8.472232
  H      -0.862453      4.002728      8.213426
  H      -4.183493      0.599851      7.961999
  H      -4.097113      2.280597      8.518764
  H      -2.111263      0.764633      6.741114
  H      -1.791138      1.437214      8.364137
  C      -2.299346      2.382223      2.594072
  C      -2.539358      0.899229      2.256381
  C      -3.813167      0.330724      2.876280
  C      -5.095518      0.658805      2.157453
  N      -5.035630      1.287808      0.986867
  C      -6.209605      1.513031      0.339573
  N      -7.428702      1.202875      0.730393
  C      -7.520066      0.554794      1.933572
  C      -8.796072      0.193316      2.425890
  C      -8.912091     -0.473199      3.630616
  C      -7.760780     -0.811516      4.375627
  C      -6.502528     -0.465547      3.918046
  C      -6.354585      0.234915      2.696071
  C      -4.102056      6.316172      5.926077
  C      -3.511632      7.318605      4.919923
  C      -3.779707      6.891706      3.480752
  C      -5.226409      6.993122      3.065157
  N      -6.053701      7.707379      3.818972
  C      -7.353055      7.788946      3.426412
  N      -7.916023      7.237124      2.371331
  C      -7.083205      6.502666      1.570176
  C      -7.618639      5.860289      0.426421
  C      -6.802224      5.098566     -0.383997
  C      -5.427036      4.956523     -0.086960
  C      -4.882128      5.565806      1.024133
  C      -5.696561      6.348408      1.878718
  C      -5.975602      1.860813      6.437107
  C      -6.759125      3.019156      7.074787
  C      -8.269015      2.836765      6.935166
  C      -8.823312      2.977653      5.538658
  N      -8.053150      3.507710      4.596726
  C      -8.579653      3.658377      3.351453
  N      -9.801751      3.369211      2.957352
  C     -10.616723      2.807672      3.902115
  C     -11.930333      2.427825      3.535783
  C     -12.763970      1.827426      4.459559
  C     -12.318749      1.590556      5.779436
  C     -11.041787      1.955316      6.163567
  C     -10.162200      2.568663      5.236587
  H      -1.375125      2.710989      2.076588
  H      -3.121277      2.985688      2.184985
  H      -1.680411      0.308857      2.611111
  H      -2.573854      0.790409      1.162444
  H      -3.745160     -0.769881      2.938199
  H      -3.901374      0.676950      3.922077
  H      -6.118875      2.006988     -0.632209
  H      -9.670526      0.468919      1.836119
  H      -9.900249     -0.735920      4.012844
  H      -7.868375     -1.340281      5.324388
  H      -5.619703     -0.710917      4.507758
  H      -5.105758      6.018547      5.591139
  H      -4.231909      6.823237      6.902052
  H      -2.425194      7.406412      5.077053
  H      -3.947951      8.310268      5.102724
  H      -3.178228      7.495558      2.777568
  H      -3.451419      5.849163      3.344072
  H      -8.002149      8.384377      4.077281
  H      -8.684405      5.975033      0.225928
  H      -7.220120      4.588466     -1.253389
  H      -4.800563      4.339603     -0.728033
  H      -3.822941      5.440269      1.249763
  H      -6.240007      0.915779      6.953645
  H      -6.303672      1.762903      5.395050
  H      -6.509516      3.105946      8.144038
  H      -6.448430      3.957934      6.591025
  H      -8.558363      1.848280      7.330907
  H      -8.800491      3.570919      7.566572
  H      -7.897038      4.054599      2.594704
  H     -12.249891      2.619287      2.510422
  H     -13.773786      1.530844      4.170473
  H     -12.988552      1.115193      6.497967
  H     -10.710171      1.769663      7.185691
  N      -5.047211      3.604362      3.933385
  H      -6.036924      3.700481      4.200478
  H      -4.987232      3.524488      2.917962
98
Coordinates from ORCA-job orca E -6204.366244872480
  N      -2.201561      2.686656      4.005370
  Mo     -3.593133      3.356033      5.275832
  N      -4.535559      2.040793      6.436447
  C      -3.854915      1.609360      7.650280
  C      -2.351111      1.591657      7.400297
  N      -1.939538      2.857629      6.743891
  C      -0.704551      2.716357      5.934088
  C      -1.026585      2.056342      4.600285
  C      -1.850315      3.987209      7.703366
  C      -2.141122      5.293830      6.977431
  N      -3.322303      5.119921      6.135073
  H      -0.147429      2.164284      3.934580
  H      -1.170301      0.965156      4.740368
  H      -0.325355      3.730460      5.746932
  H       0.068291      2.156899      6.492429
  H      -2.313373      6.086218      7.729686
  H      -1.255837      5.613719      6.391801
  H      -2.618623      3.827625      8.472147
  H      -0.863394      3.999684      8.201892
  H      -4.175839      0.590266      7.941509
  H      -4.089501      2.265523      8.514480
  H      -2.112770      0.772261      6.707791
  H      -1.782856      1.430683      8.334638
  C      -2.338647      2.417447      2.578597
  C      -2.572216      0.934605      2.235860
  C      -3.839659      0.357605      2.860842
  C      -5.127196      0.676677      2.147036
  N      -5.076727      1.302558      0.974540
  C      -6.255336      1.518537      0.332195
  N      -7.470754      1.204402      0.730940
  C      -7.552452      0.560319      1.936882
  C      -8.823994      0.194643      2.437626
  C      -8.929902     -0.471260      3.643585
  C      -7.772667     -0.804411      4.381731
  C      -6.518770     -0.453079      3.916437
  C      -6.381187      0.247145      2.693123
  C      -4.108445      6.331510      5.936456
  C      -3.501614      7.333200      4.939918
  C      -3.740850      6.900971      3.497446
  C      -5.179906      6.994283      3.054263
  N      -6.021656      7.717284      3.783550
  C      -7.313660      7.791648      3.366289
  N      -7.857069      7.223209      2.309694
  C      -7.008723      6.479394      1.533691
  C      -7.522928      5.818636      0.390763
  C      -6.690271      5.049276     -0.395737
  C      -5.319521      4.917811     -0.074892
  C      -4.795281      5.544738      1.036302
  C      -5.626949      6.334450      1.867384
  C      -5.981944      1.855660      6.440922
  C      -6.771107      3.000514      7.095867
  C      -8.279806      2.806825      6.957980
  C      -8.839764      2.963036      5.565463
  N      -8.076633      3.510847      4.628061
  C      -8.607821      3.673023      3.386109
  N      -9.828313      3.377612      2.991550
  C     -10.635988      2.797736      3.931568
  C     -11.946824      2.409976      3.563641
  C     -12.772757      1.790865      4.482052
  C     -12.322511      1.542835      5.798128
  C     -11.048092      1.915076      6.183763
  C     -10.176292      2.547228      5.262110
  H      -1.421285      2.755134      2.054729
  H      -3.168467      3.017359      2.180420
  H      -1.708144      0.347716      2.583746
  H      -2.612113      0.829582      1.141785
  H      -3.764119     -0.742510      2.922639
  H      -3.925788      0.703541      3.906878
  H      -6.172167      2.007700     -0.642586
  H      -9.703247      0.465399      1.852741
  H      -9.914640     -0.737794      4.031941
  H      -7.872252     -1.333251      5.331326
  H      -5.631121     -0.694262      4.500544
  H      -5.110029      6.039727      5.590252
  H      -4.244608      6.836166      6.912918
  H      -2.418658      7.425443      5.117298
  H      -3.944256      8.323902      5.112280
  H      -3.129118      7.506094      2.804173
  H      -3.403623      5.860205      3.369923
  H      -7.975006      8.395696      3.996556
  H      -8.585583      5.926849      0.170908
  H      -7.091982      4.525717     -1.264777
  H      -4.680598      4.293557     -0.696001
  H      -3.739279      5.426961      1.280388
  H      -6.236440      0.903112      6.948486
  H      -6.316003      1.767088      5.399995
  H      -6.519225      3.075478      8.165470
  H      -6.469251      3.947673      6.622819
  H      -8.558517      1.809504      7.339137
  H      -8.816323      3.525636      7.602568
  H      -7.930901      4.085218      2.632622
  H     -12.270431      2.610281      2.541247
  H     -13.780325      1.488125      4.191507
  H     -12.986179      1.052778      6.512463
  H     -10.712319      1.720438      7.202870
  N      -5.077435      3.632639      3.950391
  H      -6.065225      3.718411      4.228415
  H      -5.026897      3.573057      2.933042
98
Coordinates from ORCA-job orca E -6204.366519640426
  N      -2.219324      2.699381      3.998837
  Mo     -3.604435      3.364639      5.277841
  N      -4.536990      2.041870      6.437514
  C      -3.848615      1.606304      7.645594
  C      -2.345906      1.595493      7.388534
  N      -1.942693      2.865976      6.735752
  C      -0.711430      2.733732      5.918701
  C      -1.037243      2.074654      4.585522
  C      -1.852747      3.991684      7.699643
  C      -2.150773      5.300744      6.981160
  N      -3.332426      5.127264      6.139543
  H      -0.162650      2.188725      3.914929
  H      -1.173991      0.982430      4.724456
  H      -0.339744      3.750626      5.731311
  H       0.068110      2.178014      6.471413
  H      -2.325382      6.088067      7.738308
  H      -1.267823      5.628358      6.396192
  H      -2.616357      3.825966      8.471846
  H      -0.863426      4.005189      8.193278
  H      -4.164546      0.584480      7.932629
  H      -4.081309      2.256528      8.514807
  H      -2.107597      0.780169      6.691272
  H      -1.772598      1.432858      8.319481
  C      -2.364658      2.429859      2.572820
  C      -2.594922      0.946474      2.230403
  C      -3.859855      0.366312      2.857273
  C      -5.150154      0.683099      2.146274
  N      -5.103528      1.311020      0.974863
  C      -6.284165      1.528639      0.336593
  N      -7.498437      1.216264      0.740039
  C      -7.576382      0.570379      1.945357
  C      -8.846553      0.206267      2.450825
  C      -8.948497     -0.463620      3.654925
  C      -7.788639     -0.801989      4.386620
  C      -6.536202     -0.451281      3.917126
  C      -6.402536      0.253064      2.695762
  C      -4.114415      6.341812      5.938759
  C      -3.497396      7.342723      4.947757
  C      -3.713977      6.907846      3.502188
  C      -5.146764      6.999871      3.037504
  N      -5.995899      7.731802      3.749454
  C      -7.281877      7.807042      3.314421
  N      -7.813663      7.229884      2.256648
  C      -6.957652      6.476630      1.498234
  C      -7.459721      5.806941      0.355212
  C      -6.618760      5.031786     -0.416695
  C      -5.251479      4.903339     -0.080539
  C      -4.739050      5.539093      1.031280
  C      -5.579738      6.333442      1.848768
  C      -5.981756      1.845455      6.445343
  C      -6.779476      2.975050      7.115899
  C      -8.286511      2.768401      6.976551
  C      -8.850703      2.944898      5.587815
  N      -8.093974      3.514190      4.657728
  C      -8.629002      3.692924      3.419605
  N      -9.848040      3.394227      3.022567
  C     -10.649275      2.793360      3.954887
  C     -11.957860      2.401598      3.583438
  C     -12.777223      1.761536      4.493468
  C     -12.322685      1.496413      5.804594
  C     -11.050354      1.872489      6.193804
  C     -10.185083      2.525419      5.280560
  H      -1.452378      2.771479      2.042605
  H      -3.199578      3.026423      2.180991
  H      -1.728857      0.361447      2.576601
  H      -2.636229      0.842071      1.136373
  H      -3.781515     -0.733646      2.918518
  H      -3.944178      0.711540      3.903525
  H      -6.204108      2.019395     -0.637671
  H      -9.727804      0.480210      1.870403
  H      -9.932035     -0.729723      4.046597
  H      -7.884985     -1.334015      5.334764
  H      -5.646365     -0.696393      4.496325
  H      -5.114642      6.053761      5.585687
  H      -4.253866      6.844862      6.915636
  H      -2.417573      7.439948      5.140916
  H      -3.946132      8.332232      5.111308
  H      -3.093525      7.514470      2.817985
  H      -3.371484      5.868174      3.380070
  H      -7.949004      8.419932      3.929870
  H      -8.519731      5.914627      0.122445
  H      -7.011140      4.502915     -1.286788
  H      -4.605603      4.274567     -0.689971
  H      -3.685707      5.423125      1.287339
  H      -6.225805      0.885265      6.943518
  H      -6.319282      1.764718      5.404911
  H      -6.527400      3.037511      8.186276
  H      -6.486969      3.931473      6.655638
  H      -8.554322      1.761188      7.339179
  H      -8.829120      3.468391      7.636619
  H      -7.957794      4.125902      2.672388
  H     -12.285054      2.615396      2.564931
  H     -13.782977      1.455663      4.199936
  H     -12.981241      0.990280      6.512407
  H     -10.711123      1.664619      7.209132
  N      -5.095988      3.646676      3.963356
  H      -6.082713      3.720465      4.248344
  H      -5.050486      3.609005      2.944611
98
Coordinates from ORCA-job orca E -6204.366776530119
  N      -2.234621      2.713638      3.993527
  Mo     -3.614120      3.373639      5.280794
  N      -4.536581      2.042945      6.439086
  C      -3.840324      1.602283      7.640821
  C      -2.338756      1.599704      7.376792
  N      -1.944774      2.875594      6.729080
  C      -0.716778      2.754470      5.905381
  C      -1.044742      2.096338      4.572320
  C      -1.856271      3.996700      7.698432
  C      -2.162063      5.308484      6.988296
  N      -3.342958      5.134716      6.145808
  H      -0.174621      2.218227      3.897358
  H      -1.172622      1.002816      4.709533
  H      -0.354035      3.774741      5.718524
  H       0.069974      2.203444      6.452556
  H      -2.340917      6.089727      7.750859
  H      -1.281103      5.645436      6.405561
  H      -2.616082      3.823415      8.472730
  H      -0.865193      4.011906      8.188416
  H      -4.150649      0.577221      7.922310
  H      -4.071680      2.245305      8.515756
  H      -2.099914      0.789456      6.673885
  H      -1.760375      1.434791      8.304181
  C      -2.387649      2.443536      2.568364
  C      -2.615900      0.959797      2.226865
  C      -3.879129      0.377686      2.855438
  C      -5.170436      0.691525      2.144530
  N      -5.124779      1.323116      0.975248
  C      -6.305681      1.542227      0.337943
  N      -7.519727      1.229872      0.742032
  C      -7.596793      0.580264      1.945408
  C      -8.866711      0.215260      2.450982
  C      -8.967690     -0.460485      3.651853
  C      -7.807149     -0.803459      4.380387
  C      -6.555107     -0.451159      3.911180
  C      -6.422323      0.259081      2.693185
  C      -4.121509      6.351057      5.940327
  C      -3.496442      7.350139      4.952782
  C      -3.692283      6.911156      3.505254
  C      -5.118913      6.998704      3.020611
  N      -5.977715      7.734354      3.717312
  C      -7.257994      7.805760      3.265493
  N      -7.776436      7.219733      2.205839
  C      -6.910123      6.462789      1.462742
  C      -7.397142      5.785514      0.317800
  C      -6.544523      5.011104     -0.442241
  C      -5.180374      4.890240     -0.091216
  C      -4.682662      5.533482      1.023142
  C      -5.535644      6.326409      1.829232
  C      -5.979471      1.833754      6.450078
  C      -6.785805      2.947006      7.137231
  C      -8.291212      2.727994      6.997279
  C      -8.860959      2.926388      5.613670
  N      -8.109175      3.512400      4.689870
  C      -8.648938      3.708648      3.456417
  N      -9.867782      3.410289      3.058168
  C     -10.664296      2.793676      3.984268
  C     -11.972899      2.403496      3.611373
  C     -12.787752      1.748518      4.514908
  C     -12.328712      1.466804      5.820914
  C     -11.056266      1.841260      6.211587
  C     -10.195523      2.508945      5.304813
  H      -1.479571      2.787676      2.032513
  H      -3.226785      3.037323      2.181828
  H      -1.748321      0.376026      2.571455
  H      -2.658755      0.855671      1.132872
  H      -3.798220     -0.722003      2.918197
  H      -3.963538      0.724220      3.901288
  H      -6.226283      2.035645     -0.635033
  H      -9.748392      0.492200      1.872586
  H      -9.950924     -0.728039      4.043254
  H      -7.902600     -1.340430      5.325828
  H      -5.664671     -0.700421      4.487814
  H      -5.119966      6.064679      5.581342
  H      -4.264590      6.854639      6.916439
  H      -2.419653      7.453197      5.159474
  H      -3.951577      8.338220      5.107398
  H      -3.065006      7.519839      2.829093
  H      -3.343400      5.872945      3.388507
  H      -7.932982      8.423266      3.867620
  H      -8.454829      5.888725      0.072576
  H      -6.925244      4.478311     -1.315109
  H      -4.524788      4.261929     -0.691103
  H      -3.631551      5.423514      1.290696
  H      -6.212231      0.865643      6.938174
  H      -6.320780      1.761003      5.410222
  H      -6.532792      2.996378      8.208088
  H      -6.503088      3.912602      6.690282
  H      -8.547940      1.710850      7.339930
  H      -8.838958      3.408048      7.673700
  H      -7.982393      4.157991      2.714524
  H     -12.303759      2.630279      2.596868
  H     -13.793502      1.443874      4.220086
  H     -12.983788      0.949262      6.523679
  H     -10.713360      1.620532      7.222947
  N      -5.112103      3.661740      3.976268
  H      -6.097618      3.728012      4.267332
  H      -5.070681      3.644537      2.956755
98
Coordinates from ORCA-job orca E -6204.367000139616
  N      -2.252893      2.725848      3.986889
  Mo     -3.625605      3.382600      5.282333
  N      -4.539482      2.045906      6.440385
  C      -3.836101      1.600936      7.636379
  C      -2.335765      1.603981      7.365355
  N      -1.948715      2.883454      6.720734
  C      -0.724522      2.769327      5.890249
  C      -1.056740      2.112968      4.557434
  C      -1.858292      4.001196      7.693763
  C      -2.169226      5.315076      6.989926
  N      -3.351160      5.142571      6.148833
  H      -0.191082      2.240461      3.877869
  H      -1.178763      1.018551      4.692794
  H      -0.367147      3.791602      5.703783
  H       0.067479      2.220499      6.432014
  H      -2.348693      6.092472      7.756370
  H      -1.290369      5.657256      6.407029
  H      -2.613965      3.823523      8.471161
  H      -0.865045      4.016563      8.179284
  H      -4.142155      0.573441      7.913610
  H      -4.065317      2.238242      8.516043
  H      -2.097869      0.797349      6.658033
  H      -1.752448      1.437252      8.289305
  C      -2.414211      2.455711      2.562499
  C      -2.638107      0.971316      2.221301
  C      -3.898292      0.385504      2.852370
  C      -5.192256      0.698778      2.145420
  N      -5.150760      1.332392      0.977300
  C      -6.333996      1.553999      0.345060
  N      -7.546813      1.244028      0.754509
  C      -7.619647      0.591474      1.956605
  C      -8.887885      0.227060      2.466900
  C      -8.984298     -0.454223      3.665028
  C      -7.820917     -0.802965      4.386283
  C      -6.570583     -0.450190      3.912984
  C      -6.442356      0.265621      2.697813
  C      -4.125671      6.361766      5.942298
  C      -3.493354      7.359508      4.958295
  C      -3.668744      6.915677      3.509535
  C      -5.089182      6.998430      3.006040
  N      -5.957835      7.734859      3.689904
  C      -7.232627      7.802218      3.222492
  N      -7.737557      7.210299      2.159523
  C      -6.860714      6.452846      1.429210
  C      -7.332520      5.771250      0.280738
  C      -6.468291      4.999728     -0.469253
  C      -5.107511      4.885467     -0.103722
  C      -4.624447      5.533333      1.014562
  C      -5.489670      6.322796      1.810912
  C      -5.980681      1.826144      6.454493
  C      -6.794757      2.923603      7.157357
  C      -8.298241      2.691880      7.015700
  C      -8.871857      2.910035      5.636434
  N      -8.125464      3.515132      4.720502
  C      -8.668950      3.728405      3.491451
  N      -9.886267      3.427402      3.090220
  C     -10.676898      2.790837      4.007823
  C     -11.983144      2.396857      3.630757
  C     -12.792085      1.722567      4.525437
  C     -12.329485      1.424894      5.826573
  C     -11.059202      1.802711      6.221286
  C     -10.204459      2.489782      5.323443
  H      -1.511701      2.804716      2.020393
  H      -3.259124      3.045410      2.182577
  H      -1.768023      0.390024      2.563840
  H      -2.682871      0.867651      1.127382
  H      -3.815148     -0.714152      2.912889
  H      -3.980036      0.730071      3.898968
  H      -6.257980      2.049192     -0.627275
  H      -9.771882      0.507821      1.893865
  H      -9.966118     -0.722087      4.059750
  H      -7.912742     -1.344457      5.329509
  H      -5.677660     -0.703880      4.483844
  H      -5.123555      6.079077      5.579169
  H      -4.269762      6.864643      6.918678
  H      -2.419818      7.469370      5.178128
  H      -3.955555      8.345800      5.103595
  H      -3.034990      7.525699      2.840615
  H      -3.313885      5.878788      3.399075
  H      -7.915709      8.421358      3.813705
  H      -8.387789      5.870268      0.023500
  H      -6.837220      4.465630     -1.346370
  H      -4.442569      4.259101     -0.695582
  H      -3.575685      5.428947      1.293261
  H      -6.203541      0.850606      6.932310
  H      -6.325562      1.762061      5.415236
  H      -6.540930      2.960633      8.228532
  H      -6.521511      3.897594      6.723067
  H      -8.544093      1.665809      7.339513
  H      -8.851853      3.352601      7.706495
  H      -8.007893      4.197894      2.756951
  H     -12.316964      2.636174      2.620113
  H     -13.795975      1.415082      4.227243
  H     -12.979943      0.892345      6.522371
  H     -10.713178      1.569348      7.228738
  N      -5.130511      3.676640      3.988212
  H      -6.114759      3.734005      4.285137
  H      -5.093326      3.681975      2.968367
98
Coordinates from ORCA-job orca E -6204.367205564302
  N      -2.271559      2.742500      3.978273
  Mo     -3.637567      3.393431      5.283191
  N      -4.542209      2.048636      6.439037
  C      -3.831117      1.597743      7.628239
  C      -2.332133      1.607630      7.349787
  N      -1.952871      2.892171      6.710839
  C      -0.732614      2.787841      5.873275
  C      -1.068464      2.134787      4.539770
  C      -1.861779      4.004608      7.689798
  C      -2.178987      5.321763      6.995066
  N      -3.361387      5.150733      6.154524
  H      -0.207428      2.269894      3.855847
  H      -1.183171      1.039158      4.671674
  H      -0.381947      3.812846      5.688914
  H       0.065422      2.241328      6.408497
  H      -2.360479      6.093266      7.767066
  H      -1.302297      5.671599      6.413401
  H      -2.613445      3.820188      8.469513
  H      -0.866541      4.020159      8.171191
  H      -4.132342      0.567236      7.899497
  H      -4.058163      2.227681      8.513752
  H      -2.095013      0.806155      6.636406
  H      -1.743603      1.437515      8.269802
  C      -2.441965      2.472459      2.554787
  C      -2.661847      0.987431      2.214144
  C      -3.918321      0.397666      2.849126
  C      -5.214921      0.708069      2.145544
  N      -5.177689      1.344804      0.979223
  C      -6.363012      1.567192      0.351127
  N      -7.574338      1.256352      0.764228
  C      -7.642811      0.599835      1.964389
  C      -8.909190      0.232945      2.477630
  C      -9.001118     -0.454199      3.672727
  C      -7.835063     -0.806048      4.388177
  C      -6.586606     -0.450045      3.912440
  C      -6.462875      0.271570      2.700278
  C      -4.132108      6.372197      5.946144
  C      -3.492802      7.369206      4.966268
  C      -3.646539      6.919981      3.516705
  C      -5.060306      6.993542      2.993616
  N      -5.942107      7.727322      3.663709
  C      -7.210726      7.786230      3.179029
  N      -7.698388      7.187523      2.111650
  C      -6.807374      6.433483      1.394855
  C      -7.259325      5.747399      0.241315
  C      -6.379570      4.982405     -0.497536
  C      -5.022889      4.878120     -0.114580
  C      -4.558991      5.530865      1.009148
  C      -5.440332      6.313981      1.794069
  C      -5.981544      1.818112      6.456798
  C      -6.802057      2.899816      7.176205
  C      -8.303865      2.657154      7.034290
  C      -8.882838      2.894339      5.660354
  N      -8.141666      3.515236      4.750793
  C      -8.690114      3.744545      3.526765
  N      -9.906977      3.442830      3.124500
  C     -10.692169      2.790237      4.035515
  C     -11.997659      2.395446      3.656713
  C     -12.801246      1.705909      4.544619
  C     -12.334026      1.393455      5.840598
  C     -11.064374      1.771814      6.236952
  C     -10.215063      2.474151      5.345867
  H      -1.545079      2.825926      2.006226
  H      -3.292645      3.058100      2.181677
  H      -1.788730      0.408701      2.553274
  H      -2.710103      0.884211      1.120346
  H      -3.831766     -0.701737      2.909306
  H      -3.998075      0.742019      3.895971
  H      -6.290439      2.065181     -0.620003
  H      -9.795288      0.515796      1.908849
  H      -9.981433     -0.724501      4.069489
  H      -7.923284     -1.352536      5.328867
  H      -5.691498     -0.706480      4.478716
  H      -5.128728      6.092122      5.578065
  H      -4.278667      6.874583      6.922472
  H      -2.422883      7.486785      5.199485
  H      -3.962836      8.353202      5.102144
  H      -3.007470      7.532532      2.855126
  H      -3.283241      5.885250      3.413025
  H      -7.904948      8.403886      3.758709
  H      -8.311717      5.839266     -0.030091
  H      -6.733076      4.446915     -1.380147
  H      -4.345660      4.256179     -0.697436
  H      -3.513095      5.434855      1.301242
  H      -6.194496      0.835197      6.923870
  H      -6.330655      1.763108      5.418376
  H      -6.546292      2.924258      8.247292
  H      -6.537828      3.881725      6.754533
  H      -8.539544      1.623097      7.340137
  H      -8.861682      3.299483      7.738924
  H      -8.034184      4.230109      2.797989
  H     -12.335184      2.646296      2.650107
  H     -13.804529      1.397856      4.244971
  H     -12.980318      0.849058      6.531083
  H     -10.714490      1.526791      7.240290
  N      -5.149622      3.695194      4.000022
  H      -6.132554      3.743561      4.302696
  H      -5.116921      3.721584      2.980319
98
Coordinates from ORCA-job orca E -6204.367395196190
  N      -2.286849      2.752802      3.971266
  Mo     -3.647466      3.400712      5.282801
  N      -4.544203      2.049952      6.437573
  C      -3.827012      1.595608      7.621835
  C      -2.329107      1.611298      7.337792
  N      -1.956330      2.899326      6.702147
  C      -0.739248      2.801951      5.859062
  C      -1.078069      2.150041      4.525836
  C      -1.864551      4.008621      7.684509
  C      -2.186668      5.327583      6.995454
  N      -3.369797      5.156894      6.156073
  H      -0.220995      2.290661      3.838105
  H      -1.186698      1.053617      4.656197
  H      -0.393901      3.828898      5.675304
  H       0.063539      2.257889      6.389656
  H      -2.369280      6.095390      7.770942
  H      -1.311955      5.682577      6.413919
  H      -2.613056      3.819815      8.466225
  H      -0.867737      4.024769      8.162573
  H      -4.124101      0.562823      7.888973
  H      -4.052758      2.220136      8.511494
  H      -2.092267      0.813372      6.620369
  H      -1.736477      1.439645      8.254875
  C      -2.465187      2.480629      2.548990
  C      -2.681624      0.994673      2.210287
  C      -3.935184      0.402086      2.848507
  C      -5.234612      0.713792      2.150122
  N      -5.201806      1.356098      0.986939
  C      -6.389593      1.584300      0.365569
  N      -7.599545      1.274539      0.783411
  C      -7.663522      0.610820      1.979892
  C      -8.928155      0.243085      2.496934
  C      -9.015519     -0.452497      3.687494
  C      -7.846636     -0.811713      4.394650
  C      -6.599902     -0.454261      3.915564
  C      -6.480703      0.275599      2.707932
  C      -4.139578      6.379560      5.948830
  C      -3.497804      7.378358      4.972680
  C      -3.630879      6.924873      3.522313
  C      -5.038571      6.988317      2.981622
  N      -5.933558      7.716103      3.641063
  C      -7.196081      7.767552      3.140233
  N      -7.666307      7.167023      2.065962
  C      -6.761210      6.420079      1.359225
  C      -7.193011      5.735582      0.197269
  C      -6.297920      4.980668     -0.533773
  C      -4.945989      4.883474     -0.133067
  C      -4.501466      5.535178      0.999310
  C      -5.398460      6.309139      1.775563
  C      -5.981834      1.810258      6.457713
  C      -6.807793      2.877193      7.192483
  C      -8.308043      2.625011      7.049958
  C      -8.891860      2.880469      5.681182
  N      -8.156044      3.517852      4.778636
  C      -8.709407      3.763631      3.559935
  N      -9.925910      3.461706      3.156507
  C     -10.705292      2.791927      4.059982
  C     -12.009799      2.396062      3.678949
  C     -12.807643      1.690037      4.559078
  C     -12.335675      1.361828      5.849390
  C     -11.066902      1.740991      6.247908
  C     -10.223358      2.459802      5.364584
  H      -1.573441      2.837407      1.994166
  H      -3.320769      3.062266      2.181281
  H      -1.806211      0.418144      2.547313
  H      -2.732380      0.891102      1.116651
  H      -3.847379     -0.697372      2.905765
  H      -4.011323      0.743901      3.896367
  H      -6.320738      2.088299     -0.602681
  H      -9.816473      0.531440      1.934377
  H      -9.994372     -0.723947      4.087045
  H      -7.931204     -1.364969      5.331720
  H      -5.702471     -0.716554      4.475522
  H      -5.135440      6.101069      5.577975
  H      -4.287017      6.879821      6.926172
  H      -2.431741      7.506514      5.217818
  H      -3.978189      8.358535      5.100236
  H      -2.988291      7.541392      2.867831
  H      -3.257980      5.892948      3.424138
  H      -7.901512      8.380396      3.711425
  H      -8.242155      5.822068     -0.088223
  H      -6.635636      4.448851     -1.424760
  H      -4.256588      4.269005     -0.709826
  H      -3.458927      5.445269      1.304967
  H      -6.186308      0.820556      6.914120
  H      -6.334342      1.764194      5.419946
  H      -6.550169      2.889489      8.263344
  H      -6.551554      3.866324      6.783081
  H      -8.534958      1.584140      7.339127
  H      -8.869227      3.250342      7.767159
  H      -8.058935      4.266389      2.837825
  H     -12.351143      2.659224      2.676789
  H     -13.810126      1.381184      4.257581
  H     -12.977533      0.804658      6.533785
  H     -10.713096      1.483586      7.246750
  N      -5.165334      3.708056      4.008702
  H      -6.147249      3.747315      4.315685
  H      -5.135887      3.754516      2.989485
98
Coordinates from ORCA-job orca E -6204.367585658239
  N      -2.298832      2.761493      3.966399
  Mo     -3.655532      3.407036      5.282972
  N      -4.544958      2.050988      6.436758
  C      -3.822518      1.593671      7.616687
  C      -2.325557      1.615503      7.328203
  N      -1.958992      2.906872      6.695787
  C      -0.744425      2.816440      5.848334
  C      -1.084699      2.164688      4.515496
  C      -1.867852      4.013452      7.681041
  C      -2.194719      5.333799      6.996770
  N      -3.377897      5.162552      6.157732
  H      -0.231006      2.310794      3.824743
  H      -1.186621      1.067488      4.644860
  H      -0.404804      3.845414      5.664975
  H       0.062941      2.275532      6.375221
  H      -2.379391      6.098034      7.775348
  H      -1.321626      5.694074      6.416015
  H      -2.614223      3.820435      8.463774
  H      -0.870011      4.030730      8.156864
  H      -4.115465      0.558626      7.879700
  H      -4.047811      2.212891      8.510184
  H      -2.088339      0.821079      6.607050
  H      -1.729495      1.442630      8.242824
  C      -2.483455      2.486678      2.545363
  C      -2.698752      1.000207      2.208769
  C      -3.950342      0.406330      2.849942
  C      -5.251498      0.721866      2.156318
  N      -5.221040      1.373247      0.998369
  C      -6.410090      1.610108      0.382789
  N      -7.619421      1.300310      0.802424
  C      -7.681049      0.625538      1.992858
  C      -8.944920      0.255647      2.510345
  C      -9.030081     -0.451089      3.694448
  C      -7.859761     -0.819348      4.394621
  C      -6.613810     -0.459690      3.915251
  C      -6.496739      0.281218      2.714203
  C      -4.146982      6.385921      5.950223
  C      -3.504309      7.384781      4.974976
  C      -3.618897      6.925368      3.524759
  C      -5.020946      6.977700      2.968438
  N      -5.929266      7.696861      3.619460
  C      -7.186053      7.740062      3.104087
  N      -7.638897      7.140134      2.021890
  C      -6.719588      6.403392      1.322646
  C      -7.131077      5.724017      0.150596
  C      -6.220507      4.982276     -0.575145
  C      -4.873468      4.891363     -0.157312
  C      -4.448547      5.538361      0.985550
  C      -5.361114      6.300729      1.755197
  C      -5.980762      1.801805      6.458180
  C      -6.812059      2.853834      7.207927
  C      -8.310856      2.592779      7.065499
  C      -8.900300      2.866271      5.702472
  N      -8.169844      3.518933      4.806383
  C      -8.729099      3.781537      3.593778
  N      -9.945769      3.480211      3.190181
  C     -10.719437      2.794832      4.086816
  C     -12.024026      2.399918      3.705026
  C     -12.816479      1.679593      4.578390
  C     -12.339037      1.335748      5.862592
  C     -11.070127      1.713715      6.261812
  C     -10.231994      2.446881      5.385209
  H      -1.595220      2.844557      1.985538
  H      -3.342068      3.065735      2.181371
  H      -1.821899      0.424399      2.543345
  H      -2.752372      0.896615      1.115251
  H      -3.862796     -0.693320      2.903813
  H      -4.023076      0.745225      3.899028
  H      -6.343217      2.124239     -0.580234
  H      -9.834266      0.551137      1.953111
  H     -10.008251     -0.724301      4.094437
  H      -7.942501     -1.381625      5.326476
  H      -5.715222     -0.729571      4.469904
  H      -5.142472      6.108266      5.578337
  H      -4.294067      6.885829      6.927841
  H      -2.441915      7.523749      5.230156
  H      -3.994836      8.361179      5.093389
  H      -2.974047      7.545130      2.875574
  H      -3.236441      5.896208      3.432735
  H      -7.903033      8.345197      3.669089
  H      -8.176964      5.805224     -0.148200
  H      -6.542247      4.456962     -1.475877
  H      -4.171600      4.286962     -0.730259
  H      -3.409606      5.453643      1.304589
  H      -6.176897      0.805484      6.903735
  H      -6.336071      1.764210      5.420891
  H      -6.552075      2.854227      8.278303
  H      -6.563779      3.849901      6.810749
  H      -8.529412      1.545711      7.338495
  H      -8.874491      3.201508      7.794987
  H      -8.084000      4.300053      2.877782
  H     -12.369733      2.675284      2.707652
  H     -13.819039      1.371592      4.276269
  H     -12.976782      0.767518      6.541713
  H     -10.711918      1.444073      7.255819
  N      -5.178316      3.719730      4.016673
  H      -6.158995      3.754592      4.327814
  H      -5.151616      3.782177      2.998100
98
Coordinates from ORCA-job orca E -6204.367245379119
  N      -2.300738      2.766405      3.987033
  Mo     -3.655165      3.421284      5.301809
  N      -4.543771      2.071540      6.462222
  C      -3.820392      1.616525      7.642428
  C      -2.324307      1.635813      7.351325
  N      -1.956496      2.924563      6.713914
  C      -0.743335      2.827563      5.865338
  C      -1.085453      2.171913      4.535067
  C      -1.861451      4.035719      7.693108
  C      -2.184189      5.353500      7.000937
  N      -3.370560      5.180339      6.167106
  H      -0.233108      2.317866      3.842693
  H      -1.184799      1.074698      4.666724
  H      -0.401357      3.855308      5.678546
  H       0.063398      2.286457      6.393005
  H      -2.364186      6.123337      7.775085
  H      -1.311499      5.706698      6.415355
  H      -2.610037      3.850155      8.475585
  H      -0.863817      4.051862      8.169056
  H      -4.114348      0.582267      7.907745
  H      -4.044280      2.237313      8.535326
  H      -2.090319      0.839628      6.631021
  H      -1.726325      1.464121      8.264928
  C      -2.484697      2.496628      2.564535
  C      -2.710170      1.015314      2.213651
  C      -3.978136      0.426469      2.826929
  C      -5.261930      0.781549      2.121513
  N      -5.199198      1.482236      0.994536
  C      -6.371389      1.769843      0.369341
  N      -7.593334      1.459435      0.751019
  C      -7.688485      0.728874      1.906092
  C      -8.967603      0.351369      2.378715
  C      -9.086896     -0.407538      3.526890
  C      -7.936697     -0.821536      4.234835
  C      -6.676440     -0.456697      3.799074
  C      -6.524219      0.335864      2.635618
  C      -4.134380      6.406369      5.952100
  C      -3.500150      7.387208      4.952756
  C      -3.603293      6.894711      3.511305
  C      -5.003556      6.914105      2.948790
  N      -5.928171      7.619504      3.592909
  C      -7.183830      7.633842      3.074770
  N      -7.620963      7.022535      1.992284
  C      -6.684815      6.303613      1.296435
  C      -7.077304      5.623048      0.119051
  C      -6.150957      4.896221     -0.602140
  C      -4.807221      4.818396     -0.172134
  C      -4.398533      5.473103      0.973298
  C      -5.326584      6.224306      1.736464
  C      -5.979212      1.823045      6.485484
  C      -6.808791      2.875652      7.235907
  C      -8.307785      2.604881      7.112492
  C      -8.914463      2.861032      5.752703
  N      -8.201725      3.515075      4.842686
  C      -8.778708      3.761332      3.634558
  N      -9.994952      3.438057      3.246406
  C     -10.749995      2.751457      4.157678
  C     -12.053977      2.337151      3.794374
  C     -12.828332      1.617820      4.684311
  C     -12.333148      1.294201      5.967160
  C     -11.064800      1.691459      6.348473
  C     -10.244986      2.424480      5.454689
  H      -1.591536      2.850565      2.009912
  H      -3.336952      3.083860      2.199749
  H      -1.844127      0.425531      2.552043
  H      -2.750842      0.925169      1.118268
  H      -3.908470     -0.675346      2.856517
  H      -4.061603      0.742905      3.882413
  H      -6.277378      2.334490     -0.562855
  H      -9.840738      0.684515      1.817036
  H     -10.076688     -0.685857      3.893339
  H      -8.046356     -1.424882      5.137759
  H      -5.793772     -0.764111      4.360215
  H      -5.135104      6.131005      5.594914
  H      -4.266385      6.919841      6.924914
  H      -2.440209      7.543682      5.208078
  H      -4.003194      8.360330      5.046406
  H      -2.965065      7.508517      2.850283
  H      -3.204872      5.869094      3.442334
  H      -7.915470      8.224246      3.636621
  H      -8.121838      5.690843     -0.187929
  H      -6.458015      4.372427     -1.508942
  H      -4.092967      4.222961     -0.741218
  H      -3.361232      5.400862      1.300569
  H      -6.173982      0.826843      6.932037
  H      -6.335882      1.781986      5.448575
  H      -6.536658      2.885159      8.303214
  H      -6.570447      3.870083      6.829311
  H      -8.516257      1.559086      7.398004
  H      -8.867533      3.216010      7.843344
  H      -8.150273      4.289172      2.909490
  H     -12.413524      2.597072      2.797737
  H     -13.830546      1.294991      4.396839
  H     -12.957002      0.726512      6.659508
  H     -10.692683      1.436856      7.341240
  N      -5.182053      3.741056      4.041814
  H      -6.161363      3.774842      4.355300
  H      -5.156096      3.810161      3.023716
98
Coordinates from ORCA-job orca E -6204.367298712096
  N      -2.305136      2.755732      3.995517
  Mo     -3.658165      3.429879      5.303103
  N      -4.563459      2.092932      6.464362
  C      -3.847141      1.627986      7.644945
  C      -2.350865      1.632523      7.356227
  N      -1.968094      2.918585      6.721809
  C      -0.752317      2.811330      5.878786
  C      -1.093702      2.158018      4.547860
  C      -1.865690      4.028222      7.700574
  C      -2.167508      5.347823      7.002983
  N      -3.353777      5.187077      6.166766
  H      -0.238795      2.299058      3.857747
  H      -1.197178      1.061161      4.680258
  H      -0.400568      3.836398      5.694066
  H       0.047405      2.262875      6.409508
  H      -2.340060      6.122336      7.774130
  H      -1.288412      5.687501      6.419119
  H      -2.623812      3.853958      8.476603
  H      -0.871449      4.032250      8.183271
  H      -4.152498      0.596121      7.907066
  H      -4.066782      2.248558      8.539310
  H      -2.124977      0.836480      6.633188
  H      -1.755621      1.451647      8.269866
  C      -2.492269      2.464105      2.577467
  C      -2.704486      0.976585      2.247343
  C      -3.968605      0.380306      2.861962
  C      -5.246731      0.696198      2.132092
  N      -5.175582      1.375265      0.993168
  C      -6.339156      1.626209      0.338329
  N      -7.561932      1.292963      0.698816
  C      -7.665609      0.581157      1.865098
  C      -8.945155      0.177488      2.314172
  C      -9.072120     -0.561156      3.474349
  C      -7.929280     -0.928659      4.218911
  C      -6.668889     -0.539873      3.805348
  C      -6.509238      0.232680      2.629566
  C      -4.098786      6.425382      5.952469
  C      -3.455583      7.396622      4.947816
  C      -3.571423      6.918500      3.501027
  C      -4.974166      6.960998      2.948003
  N      -5.890205      7.646339      3.626203
  C      -7.151570      7.678704      3.125163
  N      -7.601917      7.108329      2.025854
  C      -6.674300      6.418030      1.290438
  C      -7.080520      5.794425      0.087333
  C      -6.165201      5.094368     -0.673047
  C      -4.818794      4.986788     -0.258679
  C      -4.394243      5.594408      0.907697
  C      -5.311261      6.316338      1.712870
  C      -6.001246      1.859711      6.484681
  C      -6.821850      2.925520      7.225911
  C      -8.322925      2.656292      7.121857
  C      -8.940224      2.884550      5.760756
  N      -8.237236      3.525437      4.832995
  C      -8.824118      3.743300      3.623948
  N     -10.038243      3.397254      3.248239
  C     -10.783487      2.725993      4.178698
  C     -12.087128      2.295563      3.832637
  C     -12.852388      1.594411      4.744235
  C     -12.348295      1.305125      6.032012
  C     -11.080436      1.718590      6.396544
  C     -10.270037      2.434488      5.480654
  H      -1.601227      2.815244      2.017595
  H      -3.348898      3.039061      2.203799
  H      -1.833754      0.399664      2.595560
  H      -2.740944      0.870956      1.153034
  H      -3.880924     -0.719182      2.917418
  H      -4.072291      0.719844      3.909007
  H      -6.236634      2.180180     -0.599535
  H      -9.812676      0.477139      1.725536
  H     -10.062820     -0.858391      3.823143
  H      -8.044975     -1.516891      5.130955
  H      -5.792525     -0.813694      4.393741
  H      -5.105710      6.169087      5.601169
  H      -4.215287      6.940576      6.926390
  H      -2.392197      7.535276      5.198973
  H      -3.944732      8.376716      5.048090
  H      -2.930417      7.530789      2.841711
  H      -3.185378      5.888213      3.418801
  H      -7.876919      8.246045      3.718186
  H      -8.127229      5.881813     -0.207318
  H      -6.483311      4.615546     -1.600676
  H      -4.113256      4.409758     -0.860159
  H      -3.353878      5.503646      1.220260
  H      -6.206273      0.868253      6.937385
  H      -6.355439      1.812343      5.446927
  H      -6.538450      2.950828      8.289997
  H      -6.585015      3.912583      6.801856
  H      -8.529427      1.616327      7.429242
  H      -8.876258      3.281776      7.846048
  H      -8.204915      4.266951      2.886386
  H     -12.453524      2.528996      2.831911
  H     -13.854604      1.259549      4.470813
  H     -12.965292      0.751304      6.741543
  H     -10.701353      1.489938      7.392869
  N      -5.178948      3.772073      4.039796
  H      -6.158351      3.816380      4.348241
  H      -5.146402      3.843889      3.022770
98
Coordinates from ORCA-job orca E -6204.346799022875
  N      -2.306138      2.750715      3.918863
  Mo     -3.650738      3.408602      5.241690
  N      -4.546007      2.038204      6.371469
  C      -3.826155      1.550730      7.540700
  C      -2.329280      1.576627      7.252444
  N      -1.954605      2.878130      6.644745
  C      -0.742333      2.794209      5.793571
  C      -1.087603      2.154779      4.456772
  C      -1.854444      3.966765      7.646113
  C      -2.165338      5.299788      6.979903
  N      -3.349345      5.149574      6.139098
  H      -0.238083      2.305367      3.762016
  H      -1.183985      1.056213      4.580711
  H      -0.399815      3.824776      5.622092
  H       0.064671      2.243778      6.311163
  H      -2.346359      6.052456      7.770635
  H      -1.288061      5.662922      6.407249
  H      -2.609763      3.771341      8.419840
  H      -0.858986      3.965496      8.126095
  H      -4.120485      0.508851      7.774366
  H      -4.054001      2.143937      8.451752
  H      -2.098168      0.799375      6.510961
  H      -1.731719      1.379006      8.161120
  C      -2.534136      2.425428      2.515239
  C      -2.795432      0.931848      2.268249
  C      -4.029000      0.421326      3.011189
  C      -5.347972      0.742085      2.363139
  N      -5.341610      1.300061      1.159419
  C      -6.542911      1.565822      0.583833
  N      -7.744823      1.369613      1.086957
  C      -7.782835      0.797990      2.331407
  C      -9.036951      0.562868      2.943371
  C      -9.100364     -0.023187      4.192017
  C      -7.918516     -0.401011      4.867875
  C      -6.681352     -0.176266      4.294294
  C      -6.584378      0.436549      3.021570
  C      -4.093867      6.391776      5.946444
  C      -3.455587      7.384230      4.959736
  C      -3.564557      6.940108      3.501947
  C      -4.968745      6.974732      2.953823
  N      -5.895069      7.619130      3.659005
  C      -7.161221      7.632438      3.171006
  N      -7.608979      7.076168      2.062949
  C      -6.670286      6.433588      1.298618
  C      -7.072174      5.834849      0.082710
  C      -6.144093      5.191643     -0.712018
  C      -4.788629      5.116039     -0.320696
  C      -4.369314      5.699578      0.860196
  C      -5.299166      6.362698      1.700760
  C      -5.975760      1.758883      6.363412
  C      -6.849930      2.761638      7.129821
  C      -8.335505      2.445411      6.960550
  C      -8.905786      2.743884      5.592317
  N      -8.192353      3.482275      4.748432
  C      -8.737502      3.771687      3.535044
  N      -9.913131      3.396125      3.074341
  C     -10.667680      2.625917      3.916943
  C     -11.934691      2.170113      3.479269
  C     -12.710693      1.378122      4.303027
  C     -12.254857      1.020473      5.591692
  C     -11.024005      1.457183      6.045186
  C     -10.203100      2.265700      5.220176
  H      -1.658312      2.738832      1.910327
  H      -3.398128      2.997785      2.154654
  H      -1.919198      0.349105      2.591491
  H      -2.909187      0.770070      1.186174
  H      -3.976006     -0.673770      3.144031
  H      -4.039123      0.840601      4.034978
  H      -6.493660      2.010385     -0.414418
  H      -9.934308      0.871991      2.406467
  H     -10.069769     -0.187821      4.666004
  H      -7.984713     -0.866616      5.852740
  H      -5.772872     -0.454778      4.830491
  H      -5.100902      6.142149      5.593291
  H      -4.205829      6.888824      6.930248
  H      -2.394070      7.529196      5.216185
  H      -3.955292      8.357160      5.079398
  H      -2.934511      7.580448      2.858833
  H      -3.161284      5.918674      3.389844
  H      -7.894744      8.166370      3.784752
  H      -8.124691      5.899438     -0.197341
  H      -6.459173      4.738681     -1.653492
  H      -4.070720      4.584355     -0.952254
  H      -3.322078      5.634535      1.156295
  H      -6.153084      0.744280      6.774698
  H      -6.311969      1.734956      5.317532
  H      -6.598163      2.742829      8.201971
  H      -6.637361      3.776009      6.761723
  H      -8.510702      1.379703      7.189672
  H      -8.937580      2.998428      7.704410
  H      -8.116322      4.388111      2.873998
  H     -12.264525      2.458704      2.480178
  H     -13.684448      1.024566      3.959276
  H     -12.880265      0.395607      6.231392
  H     -10.682238      1.175422      7.041261
  N      -5.170417      3.784191      3.986483
  H      -6.150996      3.821753      4.291173
  H      -5.133131      3.890434      2.972386
98
Coordinates from ORCA-job orca E -6204.367164352248
  N      -2.334682      2.820231      3.947588
  Mo     -3.682532      3.436557      5.288876
  N      -4.546849      2.056492      6.429524
  C      -3.807249      1.573418      7.587726
  C      -2.314258      1.618042      7.281759
  N      -1.966315      2.928409      6.675585
  C      -0.759959      2.872956      5.814560
  C      -1.100958      2.243118      4.472757
  C      -1.875537      4.015845      7.680793
  C      -2.212940      5.345985      7.019171
  N      -3.401146      5.179549      6.186575
  H      -0.258041      2.421330      3.776357
  H      -1.174536      1.141248      4.581025
  H      -0.438744      3.911164      5.649743
  H       0.061324      2.334143      6.321750
  H      -2.398108      6.096173      7.811169
  H      -1.345691      5.721215      6.439257
  H      -2.620671      3.806432      8.460683
  H      -0.875948      4.029126      8.152364
  H      -4.089274      0.528975      7.824669
  H      -4.027770      2.164381      8.501686
  H      -2.079402      0.845695      6.536279
  H      -1.704743      1.427052      8.183852
  C      -2.541560      2.515589      2.534764
  C      -2.737201      1.025427      2.212412
  C      -3.965552      0.398456      2.866459
  C      -5.272574      0.674151      2.170653
  N      -5.251964      1.325964      1.013565
  C      -6.441161      1.542361      0.392733
  N      -7.645393      1.203865      0.806107
  C      -7.697210      0.527021      1.996064
  C      -8.954314      0.125042      2.505036
  C      -9.030153     -0.574348      3.693458
  C      -7.857338     -0.900428      4.410223
  C      -6.617719     -0.513686      3.937291
  C      -6.510145      0.215026      2.728263
  C      -4.170227      6.405566      5.989081
  C      -3.543675      7.391231      4.989272
  C      -3.636121      6.907212      3.542914
  C      -5.031601      6.901593      2.968656
  N      -5.984993      7.553055      3.628735
  C      -7.238345      7.532578      3.106688
  N      -7.648444      6.937293      2.004340
  C      -6.681445      6.283336      1.286828
  C      -7.041421      5.638679      0.079929
  C      -6.083565      4.981528     -0.666943
  C      -4.739694      4.938331     -0.233380
  C      -4.361270      5.565372      0.938599
  C      -5.321845      6.244161      1.729215
  C      -5.977379      1.785022      6.444298
  C      -6.802127      2.811098      7.235198
  C      -8.304422      2.567334      7.110136
  C      -8.890267      2.902427      5.758721
  N      -8.146844      3.586635      4.896315
  C      -8.695955      3.908065      3.693816
  N      -9.906963      3.619436      3.263062
  C     -10.695644      2.909218      4.127127
  C     -12.002857      2.546289      3.721996
  C     -12.814573      1.814798      4.567312
  C     -12.354894      1.427055      5.845882
  C     -11.084390      1.772637      6.267647
  C     -10.226550      2.516829      5.419708
  H      -1.664687      2.876198      1.958530
  H      -3.414447      3.074657      2.174675
  H      -1.842535      0.469275      2.532523
  H      -2.809193      0.918208      1.120237
  H      -3.844168     -0.697549      2.925890
  H      -4.051498      0.742001      3.913887
  H      -6.379520      2.071326     -0.563154
  H      -9.845804      0.395083      1.938639
  H     -10.003602     -0.870436      4.087847
  H      -7.933235     -1.456749      5.346145
  H      -5.717499     -0.756783      4.502720
  H      -5.173263      6.133587      5.637384
  H      -4.292741      6.912133      6.966506
  H      -2.485364      7.555623      5.247201
  H      -4.056064      8.359542      5.085978
  H      -3.007434      7.537781      2.888874
  H      -3.216092      5.889815      3.466797
  H      -7.995330      8.074281      3.683996
  H      -8.086274      5.679344     -0.230995
  H      -6.365134      4.491004     -1.600345
  H      -3.999126      4.396390     -0.823994
  H      -3.322310      5.523268      1.266708
  H      -6.164384      0.772472      6.856400
  H      -6.335449      1.773617      5.406174
  H      -6.521546      2.781513      8.299940
  H      -6.559990      3.817315      6.861610
  H      -8.533212      1.513160      7.344332
  H      -8.852639      3.153363      7.870251
  H      -8.043875      4.467746      3.014406
  H     -12.334990      2.856545      2.730238
  H     -13.819746      1.533083      4.248586
  H     -13.008731      0.851151      6.502879
  H     -10.740110      1.468766      7.256488
  N      -5.228081      3.785842      4.057002
  H      -6.204610      3.801813      4.378679
  H      -5.208959      3.896629      3.042495
98
Coordinates from ORCA-job orca E -6204.365873939373
  N      -2.273006      2.749931      4.021021
  Mo     -3.637166      3.442804      5.309134
  N      -4.577942      2.128264      6.467776
  C      -3.884450      1.665021      7.662021
  C      -2.384281      1.643582      7.392901
  N      -1.974638      2.919069      6.755337
  C      -0.749036      2.794056      5.929655
  C      -1.076437      2.141361      4.595202
  C      -1.871607      4.031769      7.730129
  C      -2.146659      5.351426      7.022051
  N      -3.320835      5.200635      6.167021
  H      -0.208370      2.273732      3.919473
  H      -1.192165      1.045712      4.726496
  H      -0.384420      3.814671      5.746771
  H       0.037843      2.239594      6.473224
  H      -2.324092      6.130525      7.787357
  H      -1.253782      5.679662      6.452567
  H      -2.643355      3.871563      8.495433
  H      -0.884455      4.025144      8.227431
  H      -4.208295      0.640086      7.928356
  H      -4.106841      2.296116      8.548187
  H      -2.160263      0.838519      6.679119
  H      -1.804441      1.461212      8.316100
  C      -2.441236      2.443924      2.602902
  C      -2.680140      0.961781      2.267611
  C      -3.963718      0.380912      2.855260
  C      -5.221465      0.725793      2.100251
  N      -5.114101      1.414170      0.969312
  C      -6.259218      1.697675      0.294702
  N      -7.495354      1.386853      0.627728
  C      -7.636509      0.669370      1.785881
  C      -8.933055      0.289676      2.206218
  C      -9.098792     -0.454642      3.357684
  C      -7.979438     -0.848993      4.123926
  C      -6.703207     -0.484377      3.738553
  C      -6.503413      0.290086      2.570366
  C      -4.041750      6.448934      5.927840
  C      -3.369185      7.393286      4.917265
  C      -3.500054      6.905040      3.476812
  C      -4.899657      6.992916      2.920578
  N      -5.792147      7.721036      3.585901
  C      -7.048158      7.797235      3.076661
  N      -7.514490      7.232245      1.980870
  C      -6.608906      6.502378      1.255990
  C      -7.031369      5.880936      0.056546
  C      -6.137216      5.142242     -0.693412
  C      -4.798298      4.991764     -0.268794
  C      -4.359124      5.592815      0.895576
  C      -5.253146      6.355122      1.687477
  C      -6.017010      1.888014      6.459756
  C      -6.855025      2.979165      7.144412
  C      -8.357089      2.689485      7.084156
  C      -9.025006      2.805169      5.731474
  N      -8.366575      3.367398      4.723981
  C      -9.001401      3.469260      3.522899
  N     -10.222560      3.076805      3.225267
  C     -10.925244      2.489690      4.241286
  C     -12.236743      2.020926      3.986955
  C     -12.961843      1.406463      4.989540
  C     -12.407991      1.244164      6.279170
  C     -11.130812      1.696190      6.554295
  C     -10.360634      2.324993      5.544310
  H      -1.530170      2.768803      2.059662
  H      -3.276123      3.037462      2.208173
  H      -1.824026      0.366506      2.621166
  H      -2.707293      0.865166      1.172427
  H      -3.892178     -0.720108      2.901646
  H      -4.084970      0.711252      3.903325
  H      -6.126576      2.256981     -0.636231
  H      -9.781575      0.609490      1.600645
  H     -10.101921     -0.735999      3.682713
  H      -8.126186     -1.440356      5.029448
  H      -5.845351     -0.780668      4.342577
  H      -5.051479      6.208500      5.572147
  H      -4.154059      6.980310      6.893172
  H      -2.302414      7.502287      5.169077
  H      -3.827998      8.388735      5.007216
  H      -2.836951      7.488385      2.812745
  H      -3.149124      5.861520      3.405311
  H      -7.754594      8.398447      3.659064
  H      -8.072621      6.003132     -0.244639
  H      -6.466438      4.666459     -1.618783
  H      -4.111819      4.385387     -0.858776
  H      -3.324470      5.466969      1.215550
  H      -6.224799      0.913654      6.946390
  H      -6.351393      1.796949      5.418682
  H      -6.561896      3.069246      8.202420
  H      -6.634358      3.943184      6.662393
  H      -8.546170      1.673275      7.471610
  H      -8.897742      3.359827      7.775687
  H      -8.418134      3.929072      2.718200
  H     -12.642017      2.156588      2.983229
  H     -13.970877      1.042659      4.787532
  H     -12.993932      0.758397      7.061188
  H     -10.713269      1.566128      7.553163
  N      -5.135918      3.804194      4.027230
  H      -6.119154      3.867497      4.325537
  H      -5.085704      3.880076      3.010604
98
Coordinates from ORCA-job orca E -6204.367946715222
  N      -2.295250      2.794417      3.965938
  Mo     -3.668200      3.418881      5.277219
  N      -4.566683      2.053763      6.410874
  C      -3.850450      1.575177      7.585815
  C      -2.352214      1.603937      7.306539
  N      -1.983474      2.907218      6.700233
  C      -0.759629      2.834799      5.864721
  C      -1.080083      2.202498      4.517841
  C      -1.909364      4.000021      7.701760
  C      -2.226576      5.328820      7.027580
  N      -3.398457      5.165808      6.171143
  H      -0.220935      2.370061      3.838514
  H      -1.169109      1.101969      4.626994
  H      -0.422494      3.868197      5.702731
  H       0.044465      2.288634      6.391186
  H      -2.421881      6.084900      7.811381
  H      -1.345567      5.694893      6.462643
  H      -2.671888      3.797759      8.466385
  H      -0.920297      4.010832      8.195344
  H      -4.144861      0.535559      7.828102
  H      -4.081271      2.177212      8.489827
  H      -2.110339      0.824527      6.570526
  H      -1.761041      1.413934      8.221012
  C      -2.473826      2.519319      2.544119
  C      -2.691013      1.036938      2.201470
  C      -3.941763      0.438709      2.840479
  C      -5.242821      0.761560      2.149946
  N      -5.211762      1.446004      1.011780
  C      -6.398141      1.694487      0.396337
  N      -7.606549      1.351303      0.793251
  C      -7.668695      0.638207      1.960956
  C      -8.930901      0.225457      2.449879
  C      -9.016428     -0.510912      3.615251
  C      -7.848689     -0.864348      4.327573
  C      -6.604636     -0.468870      3.873520
  C      -6.487030      0.297665      2.688839
  C      -4.156368      6.395036      5.952818
  C      -3.505299      7.383238      4.971377
  C      -3.583530      6.907293      3.523883
  C      -4.971788      6.928873      2.934143
  N      -5.919375      7.604743      3.577337
  C      -7.163448      7.616205      3.032860
  N      -7.568552      7.031179      1.923243
  C      -6.605607      6.351926      1.223632
  C      -6.960590      5.706008      0.015142
  C      -6.006397      5.018932     -0.709705
  C      -4.671592      4.947771     -0.251911
  C      -4.300589      5.566305      0.926213
  C      -5.256968      6.277169      1.692145
  C      -6.004346      1.809166      6.422880
  C      -6.822142      2.868772      7.176690
  C      -8.326635      2.611885      7.093970
  C      -8.967845      2.854199      5.747625
  N      -8.273308      3.486851      4.809436
  C      -8.880846      3.721757      3.614386
  N     -10.109245      3.403467      3.262588
  C     -10.848267      2.742885      4.205356
  C     -12.168141      2.342872      3.885813
  C     -12.930917      1.658987      4.812766
  C     -12.407263      1.356492      6.089693
  C     -11.121879      1.737419      6.427399
  C     -10.312725      2.433150      5.494482
  H      -1.581157      2.874503      1.989299
  H      -3.330317      3.099542      2.176714
  H      -1.813164      0.456559      2.525599
  H      -2.752349      0.943633      1.107467
  H      -3.853029     -0.661090      2.886388
  H      -4.018076      0.769706      3.892274
  H      -6.329250      2.249595     -0.543802
  H      -9.818081      0.514902      1.886125
  H      -9.993224     -0.817861      3.993323
  H      -7.932392     -1.448157      5.245937
  H      -5.708869     -0.733245      4.435844
  H      -5.152966      6.126035      5.579234
  H      -4.299388      6.902230      6.926968
  H      -2.448983      7.533971      5.244979
  H      -4.007405      8.356765      5.066887
  H      -2.933663      7.528911      2.881693
  H      -3.181861      5.882932      3.450221
  H      -7.916404      8.177827      3.596166
  H      -7.998822      5.768750     -0.313479
  H      -6.284310      4.522866     -1.641184
  H      -3.934222      4.385803     -0.825274
  H      -3.269641      5.498491      1.274673
  H      -6.206113      0.813202      6.866633
  H      -6.358177      1.771214      5.384457
  H      -6.525504      2.887518      8.237371
  H      -6.587342      3.858260      6.755940
  H      -8.541358      1.573652      7.400999
  H      -8.858075      3.242410      7.828697
  H      -8.266613      4.231413      2.866330
  H     -12.550316      2.588641      2.894023
  H     -13.946809      1.349674      4.560581
  H     -13.023195      0.818362      6.812097
  H     -10.728471      1.500029      7.416188
  N      -5.183935      3.754292      4.006291
  H      -6.168688      3.770117      4.303371
  H      -5.139787      3.846398      2.990464
98
Coordinates from ORCA-job orca E -6204.368005242345
  N      -2.353551      2.813559      3.941419
  Mo     -3.701656      3.429124      5.281990
  N      -4.564865      2.051225      6.425807
  C      -3.821204      1.564275      7.579920
  C      -2.329783      1.610097      7.269265
  N      -1.984251      2.921578      6.666182
  C      -0.776889      2.865098      5.805650
  C      -1.118664      2.235934      4.462579
  C      -1.898120      4.008750      7.672374
  C      -2.235464      5.339651      7.012278
  N      -3.421553      5.173990      6.177184
  H      -0.277511      2.417687      3.764980
  H      -1.190277      1.133692      4.568490
  H      -0.452277      3.902559      5.642655
  H       0.042644      2.323542      6.312728
  H      -2.421084      6.089710      7.804359
  H      -1.367740      5.714902      6.432956
  H      -2.645610      3.797580      8.449516
  H      -0.900297      4.022696      8.147523
  H      -4.101742      0.519014      7.814858
  H      -4.038960      2.152410      8.496348
  H      -2.097855      0.840662      6.519781
  H      -1.717120      1.415935      8.168596
  C      -2.565065      2.536643      2.523583
  C      -2.760805      1.050145      2.178779
  C      -3.985726      0.423865      2.840994
  C      -5.306963      0.745963      2.191459
  N      -5.309974      1.463842      1.074462
  C      -6.513689      1.733659      0.504384
  N      -7.710451      1.385103      0.931522
  C      -7.738018      0.632202      2.075583
  C      -8.986029      0.212259      2.594204
  C      -9.036914     -0.565349      3.734511
  C      -7.847877     -0.955837      4.390081
  C      -6.617247     -0.551433      3.907976
  C      -6.534628      0.260073      2.750621
  C      -4.188686      6.401042      5.977880
  C      -3.560933      7.397320      4.990238
  C      -3.612337      6.910345      3.544374
  C      -4.995215      6.875570      2.944382
  N      -5.978030      7.495300      3.592114
  C      -7.218527      7.451524      3.042193
  N      -7.589048      6.865054      1.920971
  C      -6.590122      6.246883      1.214931
  C      -6.904608      5.615685     -0.011114
  C      -5.912806      4.994907     -0.745483
  C      -4.579419      4.974546     -0.280036
  C      -4.245953      5.585831      0.913654
  C      -5.241289      6.230235      1.689725
  C      -5.998706      1.800765      6.460551
  C      -6.811219      2.837217      7.247551
  C      -8.311859      2.586342      7.128086
  C      -8.904139      2.887080      5.771208
  N      -8.169664      3.551436      4.885711
  C      -8.730176      3.837624      3.678471
  N      -9.942719      3.531232      3.264708
  C     -10.718750      2.834641      4.150256
  C     -12.024401      2.448036      3.762131
  C     -12.824438      1.732734      4.631735
  C     -12.353798      1.383828      5.917620
  C     -11.083733      1.750625      6.321720
  C     -10.237890      2.479542      5.449025
  H      -1.695447      2.912579      1.946267
  H      -3.442097      3.098871      2.180067
  H      -1.865651      0.483180      2.478314
  H      -2.844627      0.962324      1.085468
  H      -3.883869     -0.675390      2.866501
  H      -4.036646      0.737293      3.899814
  H      -6.472624      2.325198     -0.414579
  H      -9.889916      0.529556      2.073309
  H     -10.002512     -0.877836      4.136348
  H      -7.904217     -1.572542      5.288837
  H      -5.704682     -0.841156      4.429552
  H      -5.188347      6.128542      5.617496
  H      -4.318339      6.902686      6.957125
  H      -2.511554      7.583435      5.269214
  H      -4.094954      8.355105      5.075144
  H      -2.981731      7.552262      2.903309
  H      -3.170267      5.901490      3.478217
  H      -8.001659      7.964421      3.610814
  H      -7.942208      5.637352     -0.347369
  H      -6.160079      4.514381     -1.693716
  H      -3.810960      4.463017     -0.862928
  H      -3.215093      5.561728      1.267438
  H      -6.192072      0.792813      6.880351
  H      -6.365706      1.787330      5.426424
  H      -6.524364      2.817597      8.310947
  H      -6.570961      3.839847      6.863033
  H      -8.535527      1.536698      7.386492
  H      -8.861614      3.188077      7.874541
  H      -8.091448      4.391113      2.981727
  H     -12.365187      2.729333      2.764716
  H     -13.828843      1.433537      4.326871
  H     -12.998900      0.820761      6.594082
  H     -10.730878      1.476773      7.316349
  N      -5.249847      3.771735      4.050205
  H      -6.227093      3.785895      4.366837
  H      -5.227866      3.881609      3.036047
98
Coordinates from ORCA-job orca E -6204.368501497609
  N      -2.323646      2.806839      3.952085
  Mo     -3.689259      3.419238      5.276748
  N      -4.563670      2.042176      6.413770
  C      -3.830520      1.559543      7.576488
  C      -2.336042      1.606440      7.281567
  N      -1.986060      2.917425      6.680574
  C      -0.769033      2.861224      5.834107
  C      -1.094958      2.229909      4.488127
  C      -1.913870      4.005933      7.686312
  C      -2.247766      5.335300      7.021285
  N      -3.424735      5.165370      6.173864
  H      -0.245719      2.411739      3.800271
  H      -1.167063      1.127700      4.594077
  H      -0.443618      3.898731      5.673556
  H       0.045202      2.321026      6.351122
  H      -2.443915      6.085341      7.810783
  H      -1.374883      5.712594      6.451056
  H      -2.669733      3.793680      8.454929
  H      -0.921540      4.022951      8.172884
  H      -4.111842      0.514473      7.811267
  H      -4.058627      2.149684      8.489103
  H      -2.095170      0.835989      6.535890
  H      -1.732748      1.414491      8.187691
  C      -2.517887      2.529893      2.532271
  C      -2.726618      1.045126      2.190681
  C      -3.970488      0.441092      2.837873
  C      -5.275462      0.776439      2.163081
  N      -5.248448      1.481770      1.038253
  C      -6.437705      1.759561      0.442129
  N      -7.646203      1.426982      0.848100
  C      -7.704618      0.688981      2.000519
  C      -8.967212      0.287659      2.497981
  C      -9.049951     -0.470640      3.649262
  C      -7.879039     -0.859519      4.337732
  C      -6.634497     -0.475169      3.875394
  C      -6.519332      0.314662      2.705828
  C      -4.195324      6.388669      5.966878
  C      -3.565476      7.388280      4.983886
  C      -3.604579      6.901448      3.537644
  C      -4.982802      6.861372      2.926834
  N      -5.974934      7.471327      3.569427
  C      -7.210049      7.424238      3.007786
  N      -7.566356      6.845580      1.877937
  C      -6.556997      6.240375      1.175514
  C      -6.855132      5.621028     -0.061120
  C      -5.852383      5.012785     -0.791352
  C      -4.524378      4.992844     -0.310337
  C      -4.207122      5.591885      0.893949
  C      -5.213454      6.224911      1.664805
  C      -5.999544      1.794404      6.444000
  C      -6.811893      2.840053      7.221217
  C      -8.315314      2.583700      7.130833
  C      -8.947557      2.857005      5.785853
  N      -8.245256      3.508038      4.865520
  C      -8.845893      3.770824      3.672303
  N     -10.071231      3.457317      3.304961
  C     -10.816939      2.777833      4.228784
  C     -12.135044      2.385317      3.892241
  C     -12.904996      1.685565      4.800915
  C     -12.390751      1.358880      6.075831
  C     -11.107490      1.731790      6.429743
  C     -10.291407      2.444088      5.515770
  H      -1.636005      2.894554      1.966346
  H      -3.384069      3.100455      2.174923
  H      -1.843792      0.467944      2.506754
  H      -2.795565      0.952835      1.096707
  H      -3.884468     -0.659144      2.874963
  H      -4.035274      0.765286      3.892889
  H      -6.371919      2.338729     -0.483451
  H      -9.856524      0.604578      1.952559
  H     -10.026851     -0.767891      4.034863
  H      -7.960600     -1.460722      5.244990
  H      -5.736166     -0.765423      4.420953
  H      -5.191292      6.111531      5.599518
  H      -4.334400      6.890383      6.944725
  H      -2.519031      7.579318      5.270470
  H      -4.104553      8.343436      5.065196
  H      -2.971565      7.546016      2.901612
  H      -3.157971      5.894357      3.474236
  H      -8.001785      7.927011      3.573535
  H      -7.889155      5.640990     -0.408167
  H      -6.086823      4.539680     -1.746627
  H      -3.747616      4.491064     -0.889526
  H      -3.180204      5.567954      1.259296
  H      -6.193372      0.791324      6.875150
  H      -6.365499      1.769302      5.409465
  H      -6.513178      2.837773      8.281488
  H      -6.578267      3.837614      6.819671
  H      -8.529859      1.538447      7.413315
  H      -8.850644      3.196979      7.877842
  H      -8.228670      4.303586      2.941535
  H     -12.509637      2.649549      2.902297
  H     -13.919306      1.381867      4.535862
  H     -13.012504      0.808310      6.783735
  H     -10.721058      1.475237      7.416477
  N      -5.223231      3.754955      4.026432
  H      -6.204365      3.769988      4.333389
  H      -5.189275      3.857699      3.011561
98
Coordinates from ORCA-job orca E -6204.368669398445
  N      -2.325769      2.805777      3.948746
  Mo     -3.696533      3.410440      5.272046
  N      -4.564964      2.030010      6.409765
  C      -3.828997      1.549509      7.571572
  C      -2.335076      1.603764      7.276116
  N      -1.991131      2.916799      6.676217
  C      -0.772851      2.865868      5.831308
  C      -1.095106      2.233634      4.484734
  C      -1.925761      4.005276      7.682419
  C      -2.266403      5.333181      7.017840
  N      -3.442665      5.157326      6.170551
  H      -0.246327      2.419737      3.797404
  H      -1.162445      1.131039      4.589927
  H      -0.450809      3.904521      5.671728
  H       0.042630      2.328250      6.349107
  H      -2.465991      6.082048      7.807574
  H      -1.395531      5.714757      6.447355
  H      -2.681587      3.788753      8.449855
  H      -0.934161      4.027416      8.170400
  H      -4.105166      0.502831      7.805489
  H      -4.059701      2.137700      8.484756
  H      -2.091098      0.835285      6.529380
  H      -1.730512      1.413366      8.181708
  C      -2.518091      2.531729      2.528084
  C      -2.729047      1.047330      2.183084
  C      -3.975470      0.445100      2.827672
  C      -5.279564      0.791288      2.156696
  N      -5.250325      1.501798      1.035008
  C      -6.439165      1.793024      0.444458
  N      -7.649135      1.469316      0.853175
  C      -7.709935      0.725707      2.001751
  C      -8.974588      0.336360      2.503535
  C      -9.060435     -0.424851      3.652621
  C      -7.890546     -0.830627      4.333211
  C      -6.643930     -0.458218      3.866541
  C      -6.525499      0.336099      2.700300
  C      -4.222990      6.374525      5.966365
  C      -3.600073      7.383414      4.989056
  C      -3.618901      6.895935      3.542883
  C      -4.988965      6.834816      2.915956
  N      -6.001394      7.420312      3.549443
  C      -7.227476      7.352980      2.970323
  N      -7.555883      6.780033      1.828995
  C      -6.524420      6.204459      1.133931
  C      -6.790527      5.597292     -0.116041
  C      -5.764177      5.019623     -0.838540
  C      -4.443895      5.018382     -0.336443
  C      -4.158385      5.604170      0.882217
  C      -5.188897      6.207645      1.644292
  C      -6.001450      1.787278      6.448814
  C      -6.806122      2.833365      7.233363
  C      -8.309988      2.578814      7.151398
  C      -8.950633      2.858308      5.812012
  N      -8.256876      3.519557      4.892545
  C      -8.866947      3.789780      3.705605
  N     -10.093866      3.475252      3.344585
  C     -10.830161      2.784115      4.267197
  C     -12.148509      2.387943      3.935716
  C     -12.908910      1.676207      4.843049
  C     -12.384419      1.340503      6.111485
  C     -11.100626      1.716425      6.460156
  C     -10.294253      2.441163      5.547293
  H      -1.635060      2.896887      1.964389
  H      -3.382843      3.103905      2.169816
  H      -1.848119      0.467415      2.499350
  H      -2.796429      0.957091      1.088845
  H      -3.895113     -0.655655      2.860214
  H      -4.037544      0.764996      3.884247
  H      -6.371387      2.376245     -0.478367
  H      -9.862836      0.666067      1.963991
  H     -10.038883     -0.711778      4.042317
  H      -7.974604     -1.434253      5.238640
  H      -5.746365     -0.760178      4.406929
  H      -5.215660      6.090142      5.595546
  H      -4.368371      6.871978      6.945509
  H      -2.558856      7.589642      5.284180
  H      -4.153880      8.330406      5.066457
  H      -2.987948      7.548732      2.913323
  H      -3.156661      5.895318      3.484713
  H      -8.037625      7.832030      3.530562
  H      -7.819072      5.601595     -0.479419
  H      -5.973727      4.555448     -1.804023
  H      -3.647969      4.542752     -0.911328
  H      -3.137259      5.594961      1.264308
  H      -6.195914      0.783983      6.879315
  H      -6.373746      1.765503      5.416623
  H      -6.501135      2.827963      8.291835
  H      -6.573274      3.831595      6.832838
  H      -8.523281      1.532654      7.431353
  H      -8.840490      3.190223      7.903257
  H      -8.257980      4.332424      2.975618
  H     -12.530941      2.659405      2.950735
  H     -13.923423      1.369723      4.582027
  H     -12.998703      0.780438      6.818464
  H     -10.706313      1.452802      7.441930
  N      -5.231678      3.737117      4.019609
  H      -6.212794      3.763251      4.326481
  H      -5.197162      3.825304      3.003388
98
Coordinates from ORCA-job orca E -6204.368815060881
  N      -2.332888      2.804862      3.940371
  Mo     -3.709142      3.401242      5.262640
  N      -4.575080      2.018887      6.400754
  C      -3.837892      1.539187      7.562101
  C      -2.344498      1.596445      7.265548
  N      -2.002096      2.910059      6.666112
  C      -0.782019      2.860018      5.823591
  C      -1.102723      2.231188      4.474775
  C      -1.939727      3.998024      7.672799
  C      -2.283007      5.324970      7.008369
  N      -3.461416      5.147566      6.164338
  H      -0.253703      2.419682      3.788367
  H      -1.170122      1.128266      4.576741
  H      -0.457752      3.898368      5.667079
  H       0.031443      2.320016      6.342142
  H      -2.480531      6.074559      7.797949
  H      -1.413922      5.705883      6.434690
  H      -2.695779      3.779972      8.439558
  H      -0.948613      4.022192      8.161884
  H      -4.111037      0.491422      7.795212
  H      -4.070229      2.126143      8.475576
  H      -2.100289      0.828969      6.517809
  H      -1.738783      1.405653      8.170270
  C      -2.524727      2.537807      2.518470
  C      -2.737173      1.054178      2.165693
  C      -3.979196      0.446294      2.813939
  C      -5.291282      0.807316      2.166374
  N      -5.276428      1.532840      1.053624
  C      -6.473473      1.839147      0.487306
  N      -7.678431      1.517287      0.912080
  C      -7.724307      0.756113      2.049737
  C      -8.982813      0.367237      2.567323
  C      -9.054102     -0.411086      3.705938
  C      -7.875196     -0.837476      4.357974
  C      -6.634250     -0.465821      3.875643
  C      -6.530583      0.348067      2.721482
  C      -4.246302      6.362820      5.967631
  C      -3.622293      7.378442      4.998500
  C      -3.620376      6.890156      3.552987
  C      -4.979735      6.829797      2.903528
  N      -6.004722      7.409772      3.521206
  C      -7.220095      7.339953      2.920082
  N      -7.525181      6.774036      1.768669
  C      -6.478699      6.209955      1.087188
  C      -6.717677      5.615559     -0.174431
  C      -5.674707      5.049640     -0.882289
  C      -4.364858      5.047718     -0.353889
  C      -4.106598      5.618559      0.877749
  C      -5.153929      6.211325      1.623936
  C      -6.013509      1.789504      6.450656
  C      -6.808494      2.843042      7.234756
  C      -8.312313      2.588582      7.159681
  C      -8.958202      2.859236      5.821097
  N      -8.273308      3.525265      4.898376
  C      -8.891750      3.791792      3.714340
  N     -10.118926      3.470390      3.360600
  C     -10.844191      2.770329      4.284956
  C     -12.159691      2.361172      3.957709
  C     -12.908469      1.638455      4.865852
  C     -12.374743      1.304449      6.131003
  C     -11.093604      1.692877      6.475374
  C     -10.298686      2.428731      5.561208
  H      -1.641763      2.905749      1.956781
  H      -3.388337      3.112844      2.161464
  H      -1.854749      0.472787      2.475145
  H      -2.808639      0.969759      1.071292
  H      -3.902716     -0.655029      2.830855
  H      -4.026774      0.751284      3.875596
  H      -6.417423      2.434987     -0.428156
  H      -9.878031      0.711881      2.049074
  H     -10.027734     -0.697085      4.108540
  H      -7.947814     -1.454984      5.255014
  H      -5.729329     -0.782801      4.394601
  H      -5.237863      6.079246      5.592766
  H      -4.393857      6.854268      6.949638
  H      -2.586101      7.592720      5.305463
  H      -4.184639      8.320867      5.070266
  H      -2.978441      7.540418      2.932088
  H      -3.157490      5.888964      3.504181
  H      -8.043171      7.808579      3.470178
  H      -7.738927      5.618576     -0.557729
  H      -5.862595      4.593380     -1.856078
  H      -3.555633      4.585720     -0.920029
  H      -3.093640      5.608220      1.281132
  H      -6.213645      0.789308      6.886243
  H      -6.391584      1.767662      5.420890
  H      -6.499415      2.841795      8.292046
  H      -6.575246      3.838853      6.828339
  H      -8.524067      1.544554      7.448018
  H      -8.840912      3.206237      7.907827
  H      -8.291465      4.338796      2.980756
  H     -12.549015      2.631740      2.975185
  H     -13.920584      1.321467      4.608146
  H     -12.979934      0.735578      6.838789
  H     -10.692491      1.430548      7.454737
  N      -5.244328      3.721108      4.006143
  H      -6.223678      3.781174      4.313468
  H      -5.208620      3.783561      2.988065
98
Coordinates from ORCA-job orca E -6204.368926542053
  N      -2.345701      2.817392      3.932528
  Mo     -3.720451      3.407834      5.259661
  N      -4.581367      2.021213      6.396190
  C      -3.840514      1.537089      7.553278
  C      -2.348270      1.597977      7.252377
  N      -2.009176      2.914528      6.657236
  C      -0.790616      2.869179      5.812368
  C      -1.113034      2.244677      4.461857
  C      -1.946579      3.998998      7.667534
  C      -2.291319      5.327585      7.007187
  N      -3.471556      5.151913      6.165363
  H      -0.266130      2.437492      3.774093
  H      -1.177369      1.141162      4.560124
  H      -0.467812      3.908557      5.659157
  H       0.024370      2.328278      6.327539
  H      -2.486983      6.075488      7.798870
  H      -1.423475      5.709477      6.432317
  H      -2.702105      3.778288      8.434097
  H      -0.955073      4.022376      8.155716
  H      -4.111178      0.487571      7.781720
  H      -4.071695      2.118862      8.470377
  H      -2.105634      0.834328      6.500187
  H      -1.739227      1.403787      8.154160
  C      -2.542974      2.549339      2.511686
  C      -2.759004      1.066434      2.159844
  C      -3.997958      0.457874      2.812999
  C      -5.312571      0.825564      2.175645
  N      -5.301571      1.558981      1.068209
  C      -6.500496      1.871286      0.509427
  N      -7.703972      1.545873      0.936120
  C      -7.745809      0.774719      2.067322
  C      -9.002405      0.378753      2.584227
  C      -9.069776     -0.408241      3.717091
  C      -7.888637     -0.836745      4.363659
  C      -6.649479     -0.459538      3.881122
  C      -6.549778      0.362808      2.732581
  C      -4.252605      6.369415      5.967882
  C      -3.622936      7.382084      4.998830
  C      -3.601376      6.885325      3.556028
  C      -4.952319      6.814166      2.891532
  N      -5.989650      7.378338      3.503132
  C      -7.198892      7.295618      2.891581
  N      -7.486861      6.732348      1.734509
  C      -6.427666      6.185242      1.058707
  C      -6.648252      5.598272     -0.209502
  C      -5.592740      5.048355     -0.911373
  C      -4.288178      5.054917     -0.370194
  C      -4.046989      5.622137      0.866791
  C      -5.107711      6.198500      1.607421
  C      -6.019410      1.792020      6.449336
  C      -6.812374      2.839849      7.243042
  C      -8.315658      2.580199      7.173831
  C      -8.969231      2.859612      5.840459
  N      -8.296781      3.548272      4.925129
  C      -8.924450      3.825605      3.748300
  N     -10.148648      3.492858      3.394661
  C     -10.860350      2.768561      4.310759
  C     -12.171611      2.346780      3.982301
  C     -12.906406      1.599503      4.881758
  C     -12.362767      1.253198      6.139462
  C     -11.086000      1.654286      6.485094
  C     -10.305079      2.415270      5.579505
  H      -1.660933      2.914936      1.946868
  H      -3.406161      3.125570      2.156237
  H      -1.875684      0.483886      2.464838
  H      -2.835534      0.982887      1.065578
  H      -3.923330     -0.643635      2.822933
  H      -4.038862      0.756755      3.876841
  H      -6.447527      2.476643     -0.400012
  H      -9.899305      0.724620      2.069727
  H     -10.041942     -0.699493      4.119425
  H      -7.958091     -1.461465      5.255927
  H      -5.742779     -0.779510      4.395331
  H      -5.244145      6.089479      5.590563
  H      -4.400248      6.861486      6.949598
  H      -2.591643      7.604323      5.316352
  H      -4.191945      8.321540      5.058356
  H      -2.955256      7.534498      2.938341
  H      -3.133129      5.885954      3.518787
  H      -8.032734      7.750439      3.437037
  H      -7.665848      5.593144     -0.602514
  H      -5.766294      4.597868     -1.890479
  H      -3.468839      4.604416     -0.932103
  H      -3.038094      5.619279      1.280010
  H      -6.218547      0.788892      6.878773
  H      -6.400271      1.776789      5.420330
  H      -6.498106      2.833813      8.298783
  H      -6.584434      3.838386      6.840744
  H      -8.521010      1.532961      7.454643
  H      -8.843683      3.189119      7.929782
  H      -8.333950      4.390749      3.019927
  H     -12.568451      2.627033      3.005516
  H     -13.914983      1.272223      4.623032
  H     -12.956991      0.664697      6.840462
  H     -10.677382      1.382110      7.458572
  N      -5.260581      3.732385      4.009096
  H      -6.237356      3.799930      4.320756
  H      -5.229135      3.785172      2.990564
98
Coordinates from ORCA-job orca E -6204.369002595232
  N      -2.349619      2.816343      3.935601
  Mo     -3.730697      3.396328      5.262216
  N      -4.585037      2.009053      6.403176
  C      -3.841708      1.529038      7.560162
  C      -2.350348      1.595183      7.257103
  N      -2.017204      2.912837      6.660689
  C      -0.797395      2.871069      5.817703
  C      -1.116506      2.245946      4.466353
  C      -1.961856      3.998773      7.670044
  C      -2.311058      5.324635      7.006435
  N      -3.490904      5.143163      6.164679
  H      -0.269137      2.441380      3.779833
  H      -1.177888      1.142146      4.564119
  H      -0.476788      3.911219      5.665327
  H       0.017961      2.331965      6.334082
  H      -2.508191      6.074831      7.795570
  H      -1.444076      5.706358      6.430161
  H      -2.718462      3.775861      8.434879
  H      -0.971706      4.027503      8.160650
  H      -4.108054      0.478731      7.790358
  H      -4.074230      2.111371      8.476537
  H      -2.105915      0.831953      6.504956
  H      -1.739150      1.403703      8.158067
  C      -2.543432      2.551962      2.513942
  C      -2.768863      1.072208      2.158274
  C      -4.010348      0.467905      2.809619
  C      -5.323248      0.850355      2.178769
  N      -5.308708      1.593519      1.077735
  C      -6.506285      1.914774      0.521097
  N      -7.711010      1.585552      0.941575
  C      -7.756184      0.804820      2.066095
  C      -9.014280      0.403536      2.575026
  C      -9.085483     -0.389391      3.703537
  C      -7.906546     -0.818349      4.353654
  C      -6.665815     -0.438453      3.877297
  C      -6.562227      0.388507      2.732306
  C      -4.269752      6.359837      5.955987
  C      -3.628989      7.369680      4.989690
  C      -3.594396      6.870745      3.547555
  C      -4.937378      6.809965      2.866867
  N      -5.979719      7.370909      3.472091
  C      -7.183283      7.293523      2.848339
  N      -7.460605      6.738164      1.685148
  C      -6.395499      6.194679      1.015668
  C      -6.605161      5.615564     -0.258239
  C      -5.544758      5.065003     -0.951997
  C      -4.245114      5.066546     -0.398505
  C      -4.013835      5.628784      0.842559
  C      -5.080775      6.202562      1.576913
  C      -6.023731      1.786985      6.463003
  C      -6.806710      2.842426      7.257081
  C      -8.311292      2.587360      7.199842
  C      -8.971840      2.862557      5.869153
  N      -8.311728      3.568440      4.958313
  C      -8.946454      3.845872      3.785409
  N     -10.167511      3.500845      3.433199
  C     -10.866134      2.757898      4.344398
  C     -12.172424      2.321253      4.015408
  C     -12.893277      1.553507      4.908656
  C     -12.340341      1.201489      6.160870
  C     -11.068768      1.617674      6.507160
  C     -10.301632      2.399731      5.607667
  H      -1.656081      2.911351      1.953151
  H      -3.399999      3.135657      2.154801
  H      -1.888815      0.483799      2.461885
  H      -2.846000      0.992030      1.063627
  H      -3.943138     -0.634119      2.808230
  H      -4.046878      0.756360      3.876740
  H      -6.450717      2.528892     -0.382405
  H      -9.909375      0.749467      2.057467
  H     -10.058869     -0.684172      4.100100
  H      -7.979038     -1.447142      5.242785
  H      -5.760910     -0.759997      4.393697
  H      -5.258167      6.079831      5.570251
  H      -4.426352      6.855182      6.934543
  H      -2.600468      7.590374      5.316815
  H      -4.196542      8.310385      5.042199
  H      -2.934207      7.511739      2.936210
  H      -3.136790      5.866179      3.518003
  H      -8.022014      7.745380      3.388781
  H      -7.619106      5.614189     -0.660696
  H      -5.709822      4.617183     -1.933716
  H      -3.421840      4.615445     -0.954587
  H      -3.009058      5.621708      1.265385
  H      -6.227632      0.786540      6.896504
  H      -6.408282      1.771756      5.435145
  H      -6.485091      2.841317      8.310592
  H      -6.578566      3.837741      6.847286
  H      -8.517060      1.542491      7.487916
  H      -8.833383      3.202826      7.954604
  H      -8.364393      4.421206      3.058060
  H     -12.576004      2.606089      3.042728
  H     -13.897641      1.213927      4.649372
  H     -12.923455      0.596322      6.857008
  H     -10.653724      1.341009      7.476556
  N      -5.274601      3.705116      4.009636
  H      -6.249802      3.780311      4.322932
  H      -5.248140      3.715058      2.989997
98
Coordinates from ORCA-job orca E -6204.369050173354
  N      -2.367060      2.831962      3.923195
  Mo     -3.744598      3.405001      5.256325
  N      -4.594535      2.010131      6.391649
  C      -3.846941      1.523095      7.542906
  C      -2.356395      1.594248      7.236667
  N      -2.027814      2.916346      6.647983
  C      -0.810041      2.883278      5.801562
  C      -1.130374      2.263665      4.447995
  C      -1.973088      3.996224      7.664032
  C      -2.324820      5.325979      7.009555
  N      -3.503127      5.148165      6.165139
  H      -0.285539      2.465451      3.760180
  H      -1.187254      1.159203      4.540771
  H      -0.493921      3.925385      5.653436
  H       0.008836      2.344820      6.313051
  H      -2.524638      6.070084      7.803851
  H      -1.458084      5.714169      6.437142
  H      -2.728245      3.766960      8.428375
  H      -0.982410      4.023587      8.153670
  H      -4.110869      0.470707      7.766129
  H      -4.078064      2.098014      8.464279
  H      -2.112119      0.836455      6.479058
  H      -1.742501      1.398621      8.134887
  C      -2.566444      2.570132      2.501847
  C      -2.787841      1.090881      2.142227
  C      -4.019465      0.476342      2.802968
  C      -5.342820      0.862110      2.194552
  N      -5.347271      1.624882      1.106833
  C      -6.554135      1.951674      0.573631
  N      -7.751237      1.609516      1.005223
  C      -7.776942      0.807341      2.115193
  C      -9.025794      0.389743      2.633613
  C      -9.077241     -0.426651      3.746447
  C      -7.887263     -0.861593      4.371938
  C      -6.655275     -0.465108      3.886534
  C      -6.571857      0.384664      2.756807
  C      -4.277401      6.367356      5.953381
  C      -3.629944      7.375543      4.990515
  C      -3.576255      6.871030      3.551124
  C      -4.909546      6.805702      2.851530
  N      -5.963017      7.362836      3.440779
  C      -7.156302      7.283129      2.797668
  N      -7.413585      6.727860      1.629848
  C      -6.335843      6.189474      0.976464
  C      -6.522240      5.614088     -0.302653
  C      -5.447577      5.074227     -0.982983
  C      -4.156409      5.082082     -0.410015
  C      -3.948422      5.638347      0.837758
  C      -5.030059      6.202455      1.557816
  C      -6.032062      1.780461      6.453394
  C      -6.816853      2.822394      7.263014
  C      -8.320822      2.561846      7.208663
  C      -8.987176      2.847880      5.883215
  N      -8.329807      3.559492      4.975114
  C      -8.968196      3.845250      3.806321
  N     -10.190951      3.504404      3.456016
  C     -10.886769      2.755310      4.364258
  C     -12.194431      2.321901      4.036585
  C     -12.912953      1.548593      4.926928
  C     -12.356124      1.187397      6.174771
  C     -11.082904      1.599877      6.519523
  C     -10.318057      2.387540      5.622975
  H      -1.683557      2.934586      1.937162
  H      -3.427115      3.151612      2.149250
  H      -1.901747      0.505424      2.434033
  H      -2.875472      1.015684      1.048102
  H      -3.948660     -0.625423      2.787135
  H      -4.042099      0.751068      3.873900
  H      -6.514330      2.584546     -0.317563
  H      -9.929783      0.741393      2.135641
  H     -10.043433     -0.734786      4.150277
  H      -7.944132     -1.507903      5.249602
  H      -5.741656     -0.791516      4.384182
  H      -5.264493      6.089763      5.562895
  H      -4.436776      6.863159      6.931282
  H      -2.606457      7.603129      5.328595
  H      -4.202520      8.313670      5.032445
  H      -2.908391      7.510848      2.947046
  H      -3.117182      5.866695      3.530282
  H      -8.004693      7.732280      3.325147
  H      -7.529589      5.609734     -0.721338
  H      -5.594504      4.632059     -1.970150
  H      -3.321217      4.640300     -0.955959
  H      -2.950184      5.636429      1.276095
  H      -6.229568      0.773931      6.875624
  H      -6.420442      1.775344      5.426821
  H      -6.491180      2.810588      8.315202
  H      -6.594736      3.823349      6.863780
  H      -8.522119      1.513629      7.487475
  H      -8.841627      3.167773      7.971838
  H      -8.390435      4.430565      3.084025
  H     -12.601077      2.613894      3.067324
  H     -13.918574      1.211892      4.668772
  H     -12.937427      0.577990      6.868708
  H     -10.664937      1.316190      7.485645
  N      -5.290959      3.725049      4.009491
  H      -6.264135      3.808971      4.327450
  H      -5.267374      3.745889      2.989593
98
Coordinates from ORCA-job orca E -6204.369060555376
  N      -2.359516      2.832116      3.924855
  Mo     -3.745382      3.398524      5.253393
  N      -4.600844      2.003403      6.384846
  C      -3.857368      1.513540      7.537515
  C      -2.365633      1.585168      7.236779
  N      -2.034817      2.908319      6.651478
  C      -0.812621      2.876184      5.811516
  C      -1.126995      2.259915      4.455050
  C      -1.985693      3.987318      7.668925
  C      -2.333664      5.317780      7.014006
  N      -3.508247      5.140722      6.164572
  H      -0.278159      2.461430      3.772058
  H      -1.186628      1.155356      4.545424
  H      -0.494271      3.918106      5.667247
  H       0.002790      2.335448      6.326140
  H      -2.536549      6.061703      7.807790
  H      -1.464235      5.705767      6.445444
  H      -2.744991      3.756967      8.428760
  H      -0.997842      4.014411      8.164254
  H      -4.122455      0.460883      7.758120
  H      -4.091348      2.086946      8.459083
  H      -2.118679      0.828651      6.478772
  H      -1.754758      1.387956      8.136722
  C      -2.551671      2.572889      2.502183
  C      -2.776110      1.094822      2.138393
  C      -4.007494      0.479168      2.798140
  C      -5.332780      0.874689      2.199696
  N      -5.340450      1.642969      1.115496
  C      -6.549334      1.975497      0.590126
  N      -7.745100      1.631498      1.024070
  C      -7.767355      0.822838      2.129437
  C      -9.014534      0.403250      2.650075
  C      -9.062585     -0.418349      3.759370
  C      -7.870740     -0.856324      4.378957
  C      -6.640139     -0.458788      3.890623
  C      -6.560192      0.395873      2.764304
  C      -4.279882      6.360355      5.946963
  C      -3.630932      7.364041      4.980487
  C      -3.580341      6.854067      3.543092
  C      -4.914244      6.792757      2.843850
  N      -5.968667      7.342224      3.437550
  C      -7.163252      7.260256      2.796377
  N      -7.420805      6.707772      1.627528
  C      -6.341949      6.176939      0.970035
  C      -6.528743      5.604739     -0.310768
  C      -5.453474      5.072059     -0.995344
  C      -4.160250      5.087803     -0.426695
  C      -3.952012      5.640602      0.822220
  C      -5.034911      6.194566      1.547950
  C      -6.040299      1.784804      6.447652
  C      -6.816202      2.830867      7.260606
  C      -8.321968      2.578265      7.212002
  C      -8.992892      2.867539      5.889136
  N      -8.344828      3.595440      4.987122
  C      -8.988779      3.887190      3.822743
  N     -10.208933      3.538460      3.471641
  C     -10.894577      2.771669      4.372828
  C     -12.198308      2.328392      4.042718
  C     -12.906787      1.537271      4.925346
  C     -12.343300      1.167329      6.167687
  C     -11.073696      1.588924      6.514513
  C     -10.318945      2.395123      5.625938
  H      -1.664152      2.934762      1.943077
  H      -3.407410      3.158639      2.144764
  H      -1.890712      0.507086      2.428151
  H      -2.864416      1.022631      1.044039
  H      -3.940553     -0.622668      2.770037
  H      -4.023310      0.741991      3.872046
  H      -6.512452      2.615188     -0.296335
  H      -9.920157      0.757278      2.156706
  H     -10.027517     -0.728110      4.165010
  H      -7.925074     -1.505273      5.254837
  H      -5.725049     -0.786277      4.384558
  H      -5.266820      6.082394      5.556154
  H      -4.440366      6.860597      6.922530
  H      -2.606713      7.590757      5.316716
  H      -4.201542      8.303437      5.019819
  H      -2.907479      7.486165      2.936744
  H      -3.130019      5.845384      3.526079
  H      -8.012069      7.704727      3.327113
  H      -7.537237      5.596400     -0.726637
  H      -5.600814      4.629739     -1.982355
  H      -3.324064      4.653708     -0.976557
  H      -2.952009      5.645872      1.256500
  H      -6.245543      0.778971      6.867891
  H      -6.429266      1.786047      5.421574
  H      -6.486657      2.816923      8.311507
  H      -6.590206      3.830585      6.860506
  H      -8.527302      1.531544      7.492803
  H      -8.836525      3.188163      7.976409
  H      -8.418271      4.484773      3.104519
  H     -12.609935      2.627512      3.077751
  H     -13.909350      1.192969      4.665352
  H     -12.916452      0.543448      6.855513
  H     -10.650826      1.298066      7.476428
  N      -5.286534      3.719223      3.998157
  H      -6.257243      3.831133      4.315097
  H      -5.264063      3.709881      2.978167
98
Coordinates from ORCA-job orca E -6204.369067590216
  N      -2.367174      2.834609      3.931757
  Mo     -3.750861      3.399377      5.263500
  N      -4.596739      2.003116      6.400561
  C      -3.847549      1.516706      7.550951
  C      -2.357244      1.594979      7.245561
  N      -2.034805      2.919055      6.657666
  C      -0.815179      2.891939      5.813946
  C      -1.130226      2.270339      4.460094
  C      -1.988616      3.999503      7.673507
  C      -2.342901      5.327839      7.017598
  N      -3.516749      5.145162      6.168522
  H      -0.284327      2.474664      3.774259
  H      -1.183468      1.165669      4.553351
  H      -0.503573      3.935446      5.666131
  H       0.005161      2.357315      6.327180
  H      -2.549248      6.071292      7.810979
  H      -1.475313      5.719635      6.448794
  H      -2.745960      3.766758      8.434561
  H      -1.000137      4.031299      8.167283
  H      -4.107573      0.462978      7.772629
  H      -4.080991      2.089177      8.473262
  H      -2.108933      0.838850      6.487615
  H      -1.742690      1.401804      8.143886
  C      -2.561402      2.569833      2.510369
  C      -2.790131      1.091397      2.151141
  C      -4.029768      0.483102      2.802456
  C      -5.346699      0.882289      2.188748
  N      -5.338079      1.645981      1.101489
  C      -6.538999      1.983775      0.561579
  N      -7.741336      1.646536      0.982648
  C      -7.780240      0.840170      2.089191
  C      -9.035345      0.425513      2.594430
  C      -9.100327     -0.393080      3.705016
  C      -7.918006     -0.833356      4.341022
  C      -6.679880     -0.441165      3.867548
  C      -6.582625      0.409932      2.739915
  C      -4.285378      6.365017      5.940161
  C      -3.630251      7.359681      4.968548
  C      -3.572981      6.841106      3.534383
  C      -4.900925      6.788772      2.823081
  N      -5.957022      7.346079      3.406561
  C      -7.145260      7.275188      2.752582
  N      -7.394971      6.727889      1.579398
  C      -6.313571      6.190007      0.931910
  C      -6.491044      5.624797     -0.353289
  C      -5.413126      5.084990     -1.028109
  C      -4.126626      5.085577     -0.444413
  C      -3.927468      5.631869      0.809048
  C      -5.013050      6.193764      1.524600
  C      -6.034232      1.775548      6.466818
  C      -6.811661      2.813471      7.288396
  C      -8.316221      2.554911      7.244738
  C      -8.992015      2.849983      5.925789
  N      -8.349853      3.588208      5.027683
  C      -8.998655      3.885845      3.867470
  N     -10.216106      3.529043      3.514757
  C     -10.895598      2.752291      4.412174
  C     -12.196957      2.302610      4.081240
  C     -12.899711      1.503043      4.960783
  C     -12.332778      1.130615      6.200840
  C     -11.065373      1.558108      6.548301
  C     -10.316365      2.372911      5.662751
  H      -1.672614      2.926801      1.950093
  H      -3.415389      3.156314      2.150524
  H      -1.909443      0.500574      2.448803
  H      -2.871424      1.015904      1.056362
  H      -3.967144     -0.619076      2.777844
  H      -4.054956      0.749448      3.875436
  H      -6.488596      2.621502     -0.325740
  H      -9.933297      0.780908      2.088289
  H     -10.071433     -0.698948      4.098719
  H      -7.985738     -1.480517      5.217273
  H      -5.772393     -0.770770      4.374068
  H      -5.272098      6.087242      5.548862
  H      -4.446428      6.872852      6.911780
  H      -2.607242      7.586715      5.308324
  H      -4.199083      8.300678      4.998564
  H      -2.889374      7.463835      2.930465
  H      -3.131716      5.828140      3.525853
  H      -7.995787      7.726054      3.275132
  H      -7.494804      5.627859     -0.780579
  H      -5.553467      4.648214     -2.018612
  H      -3.288033      4.646545     -0.986891
  H      -2.932545      5.625940      1.254750
  H      -6.232391      0.766313      6.882382
  H      -6.426367      1.779877      5.441882
  H      -6.477650      2.795361      8.337799
  H      -6.591729      3.816243      6.892539
  H      -8.516322      1.505597      7.519735
  H      -8.830094      3.157622      8.015478
  H      -8.431348      4.488221      3.150338
  H     -12.611436      2.603877      3.118152
  H     -13.900502      1.154055      4.700189
  H     -12.901403      0.499961      6.886245
  H     -10.639448      1.264627      7.508052
  N      -5.298087      3.714725      4.014163
  H      -6.268488      3.810521      4.335575
  H      -5.280069      3.706786      2.994272
98
Coordinates from ORCA-job orca E -6204.369082922454
  N      -2.361410      2.830216      3.930343
  Mo     -3.746858      3.396183      5.259322
  N      -4.596844      2.000308      6.393844
  C      -3.850241      1.513277      7.545790
  C      -2.359100      1.590185      7.243748
  N      -2.034232      2.914040      6.656886
  C      -0.812914      2.886521      5.815452
  C      -1.125567      2.265396      4.460828
  C      -1.989101      3.994013      7.673300
  C      -2.341630      5.322977      7.017757
  N      -3.513657      5.141291      6.165979
  H      -0.278315      2.469388      3.776592
  H      -1.179631      1.160777      4.553797
  H      -0.500611      3.929933      5.668450
  H       0.006215      2.351473      6.330159
  H      -2.549671      6.065492      7.811534
  H      -1.472820      5.715429      6.451292
  H      -2.747736      3.761204      8.433084
  H      -1.001409      4.024917      8.168739
  H      -4.111710      0.459818      7.766964
  H      -4.085018      2.085962      8.467648
  H      -2.109633      0.833922      6.486319
  H      -1.746868      1.396409      8.143505
  C      -2.553704      2.566135      2.508550
  C      -2.777265      1.087014      2.148803
  C      -4.014106      0.475423      2.802433
  C      -5.333362      0.872389      2.192185
  N      -5.329121      1.638207      1.106459
  C      -6.532196      1.977057      0.572012
  N      -7.732876      1.641064      0.998586
  C      -7.767428      0.833666      2.104535
  C      -9.020566      0.420449      2.615813
  C      -9.080998     -0.400457      3.724940
  C      -7.896083     -0.843779      4.353997
  C      -6.659867     -0.452107      3.875249
  C      -6.567189      0.400815      2.748642
  C      -4.285351      6.359993      5.941460
  C      -3.634914      7.360087      4.972350
  C      -3.581441      6.847725      3.535993
  C      -4.912852      6.791786      2.831760
  N      -5.967824      7.344042      3.422221
  C      -7.159322      7.270030      2.774673
  N      -7.413543      6.723616      1.602011
  C      -6.333896      6.190071      0.947884
  C      -6.516707      5.624214     -0.336272
  C      -5.440553      5.088920     -1.017611
  C      -4.150671      5.094019     -0.441395
  C      -3.946503      5.640617      0.811172
  C      -5.030035      6.198294      1.533075
  C      -6.034972      1.775082      6.458654
  C      -6.812272      2.816521      7.275980
  C      -8.317559      2.562139      7.229474
  C      -8.990130      2.853380      5.908104
  N      -8.341055      3.578491      5.004444
  C      -8.985593      3.870043      3.840419
  N     -10.205908      3.521110      3.489667
  C     -10.892997      2.758463      4.393254
  C     -12.197944      2.317248      4.065160
  C     -12.908577      1.532039      4.951304
  C     -12.346215      1.166109      6.195334
  C     -11.075344      1.585512      6.540115
  C     -10.318256      2.385365      5.647784
  H      -1.666352      2.927065      1.948633
  H      -3.410251      3.149510      2.149363
  H      -1.894316      0.499014      2.445116
  H      -2.859703      1.011617      1.054172
  H      -3.949482     -0.626645      2.777802
  H      -4.037182      0.741904      3.875377
  H      -6.485265      2.614782     -0.315486
  H      -9.920639      0.778670      2.115439
  H     -10.050500     -0.705797      4.122944
  H      -7.960266     -1.492855      5.229100
  H      -5.750186     -0.784487      4.376042
  H      -5.271833      6.080470      5.550663
  H      -4.446736      6.864342      6.914760
  H      -2.611227      7.587886      5.309646
  H      -4.205596      8.299771      5.008318
  H      -2.903848      7.476412      2.931408
  H      -3.135220      5.837188      3.521268
  H      -8.008570      7.716781      3.302799
  H      -7.522979      5.623372     -0.757609
  H      -5.585143      4.652140     -2.007501
  H      -3.313306      4.658422     -0.988912
  H      -2.949092      5.637616      1.251341
  H      -6.234778      0.767166      6.876616
  H      -6.425872      1.777185      5.433163
  H      -6.480864      2.800137      8.326251
  H      -6.588657      3.817798      6.878369
  H      -8.521799      1.514677      7.508445
  H      -8.830920      3.169844      7.996479
  H      -8.414401      4.465332      3.120811
  H     -12.608952      2.613393      3.098999
  H     -13.912221      1.189666      4.692925
  H     -12.921218      0.547219      6.886112
  H     -10.653030      1.297526      7.503089
  N      -5.289730      3.713722      4.005690
  H      -6.261865      3.804597      4.323581
  H      -5.267510      3.714403      2.985707
98
Coordinates from ORCA-job orca E -6204.369084669219
  N      -2.362027      2.833485      3.929083
  Mo     -3.747968      3.396863      5.258743
  N      -4.597856      1.999459      6.391729
  C      -3.851098      1.511090      7.543032
  C      -2.359962      1.588951      7.241200
  N      -2.035529      2.913563      6.655872
  C      -0.814004      2.887574      5.814648
  C      -1.126214      2.268154      4.459150
  C      -1.990978      3.992328      7.673613
  C      -2.343576      5.321978      7.019646
  N      -3.515183      5.141129      6.167154
  H      -0.278838      2.473049      3.775346
  H      -1.180278      1.163429      4.550757
  H      -0.502020      3.931263      5.669047
  H       0.005180      2.352165      6.328882
  H      -2.552116      6.063410      7.814305
  H      -1.474650      5.715349      6.453989
  H      -2.749699      3.758326      8.432935
  H      -1.003434      4.022885      8.169408
  H      -4.112154      0.457211      7.762705
  H      -4.086154      2.082355      8.465687
  H      -2.110071      0.833653      6.482943
  H      -1.747764      1.394375      8.140801
  C      -2.553833      2.570902      2.506936
  C      -2.775396      1.091625      2.145869
  C      -4.011623      0.477834      2.798660
  C      -5.331588      0.872701      2.188392
  N      -5.328750      1.634573      1.099845
  C      -6.532552      1.970552      0.565147
  N      -7.732645      1.635794      0.994272
  C      -7.765725      0.831953      2.102850
  C      -9.018154      0.420266      2.617089
  C      -9.077023     -0.397170      3.728894
  C      -7.891227     -0.838674      4.357565
  C      -6.655680     -0.448300      3.876008
  C      -6.564624      0.401587      2.746980
  C      -4.286139      6.360313      5.942775
  C      -3.634622      7.359289      4.973391
  C      -3.581505      6.844689      3.537934
  C      -4.912954      6.789710      2.833665
  N      -5.967331      7.344257      3.422956
  C      -7.158706      7.271347      2.774933
  N      -7.413303      6.723894      1.602862
  C      -6.334309      6.187314      0.950223
  C      -6.517493      5.619521     -0.333020
  C      -5.442004      5.081026     -1.012785
  C      -4.152452      5.084617     -0.435809
  C      -3.947968      5.632898      0.815897
  C      -5.030725      6.194255      1.535973
  C      -6.036169      1.775181      6.457532
  C      -6.812567      2.816211      7.276205
  C      -8.317972      2.562499      7.229910
  C      -8.990589      2.854971      5.908851
  N      -8.341685      3.581498      5.006193
  C      -8.986289      3.874652      3.842617
  N     -10.206658      3.526269      3.491495
  C     -10.893458      2.761932      4.393863
  C     -12.198195      2.320677      4.064995
  C     -12.908585      1.533833      4.949872
  C     -12.346133      1.166155      6.193355
  C     -11.075387      1.585381      6.538793
  C     -10.318509      2.386865      5.647736
  H      -1.666850      2.933515      1.947546
  H      -3.411042      3.153636      2.148207
  H      -1.891871      0.504696      2.442585
  H      -2.856827      1.016608      1.051147
  H      -3.945353     -0.624143      2.773444
  H      -4.035081      0.743672      3.871708
  H      -6.486801      2.604793     -0.324840
  H      -9.918963      0.776861      2.116874
  H     -10.045974     -0.701448      4.129092
  H      -7.954216     -1.485027      5.234774
  H      -5.745266     -0.778781      4.376682
  H      -5.272835      6.081457      5.551958
  H      -4.447201      6.864983      6.915947
  H      -2.610828      7.586609      5.310713
  H      -4.204484      8.299479      5.008251
  H      -2.902374      7.470716      2.932346
  H      -3.137476      5.833171      3.525355
  H      -8.007428      7.720110      3.302192
  H      -7.523559      5.619753     -0.754831
  H      -5.586942      4.642645     -2.001912
  H      -3.315664      4.646612     -0.981996
  H      -2.950831      5.628558      1.256726
  H      -6.236210      0.766974      6.874637
  H      -6.427656      1.778585      5.432320
  H      -6.480863      2.798646      8.326358
  H      -6.588605      3.817770      6.879438
  H      -8.522911      1.515118      7.508594
  H      -8.830645      3.170387      7.997257
  H      -8.415613      4.471765      3.124128
  H     -12.609305      2.618261      3.099322
  H     -13.912082      1.191488      4.690893
  H     -12.920979      0.546093      6.883208
  H     -10.653041      1.296143      7.501390
  N      -5.290305      3.716074      4.004571
  H      -6.261575      3.814529      4.323224
  H      -5.268893      3.714509      2.984558
98
Coordinates from ORCA-job orca E -6204.369086609959
  N      -2.362216      2.832849      3.930119
  Mo     -3.748795      3.395225      5.259608
  N      -4.597994      1.997796      6.393167
  C      -3.850828      1.509687      7.544341
  C      -2.359758      1.588721      7.242493
  N      -2.036427      2.913552      6.657039
  C      -0.814711      2.888600      5.816052
  C      -1.126057      2.268615      4.460593
  C      -1.993229      3.992469      7.674684
  C      -2.346395      5.321855      7.020494
  N      -3.517164      5.140131      6.167058
  H      -0.278680      2.474057      3.776950
  H      -1.179243      1.163870      4.552424
  H      -0.503746      3.932578      5.670330
  H       0.004898      2.354120      6.330571
  H      -2.556196      6.063029      7.815070
  H      -1.477353      5.716013      6.455549
  H      -2.752228      3.757891      8.433541
  H      -1.006007      4.023782      8.171081
  H      -4.111108      0.455551      7.763751
  H      -4.086303      2.080497      8.467165
  H      -2.109203      0.833575      6.484295
  H      -1.747419      1.394708      8.142122
  C      -2.553559      2.570031      2.507986
  C      -2.774922      1.090797      2.146751
  C      -4.011798      0.477094      2.798419
  C      -5.331281      0.874800      2.188951
  N      -5.327359      1.638723      1.101873
  C      -6.530694      1.977801      0.568038
  N      -7.731252      1.644152      0.996697
  C      -7.765464      0.837783      2.103407
  C      -9.018469      0.426568      2.616619
  C      -9.078450     -0.393628      3.726328
  C      -7.893262     -0.838433      4.353824
  C      -6.657181     -0.448474      3.873332
  C      -6.564962      0.404207      2.746518
  C      -4.287800      6.359194      5.940698
  C      -3.635691      7.357090      4.970512
  C      -3.581865      6.841279      3.535490
  C      -4.912816      6.786805      2.830262
  N      -5.967976      7.339542      3.419845
  C      -7.158925      7.266794      2.771024
  N      -7.412429      6.721301      1.597813
  C      -6.332645      6.186654      0.944863
  C      -6.514634      5.621204     -0.339592
  C      -5.438372      5.084758     -1.019750
  C      -4.149160      5.088158     -0.442000
  C      -3.945829      5.634321      0.810843
  C      -5.029422      6.193468      1.531399
  C      -6.036381      1.774080      6.459907
  C      -6.811915      2.815516      7.278866
  C      -8.317509      2.562721      7.233177
  C      -8.990644      2.855518      5.912432
  N      -8.342717      3.583615      5.010313
  C      -8.988032      3.877356      3.847300
  N     -10.207864      3.527434      3.495807
  C     -10.893633      2.761529      4.397607
  C     -12.197833      2.318875      4.068478
  C     -12.907296      1.530728      4.952920
  C     -12.344409      1.163052      6.196222
  C     -11.074140      1.583518      6.541848
  C     -10.318159      2.386330      5.651206
  H      -1.666497      2.932778      1.948809
  H      -3.410780      3.152536      2.148929
  H      -1.891733      0.503675      2.444098
  H      -2.855470      1.015915      1.051960
  H      -3.946771     -0.624914      2.770690
  H      -4.034906      0.740596      3.872032
  H      -6.484003      2.613700     -0.320725
  H      -9.918799      0.785688      2.117351
  H     -10.047817     -0.697652      4.125725
  H      -7.957166     -1.486943      5.229370
  H      -5.747214     -0.781487      4.373143
  H      -5.274376      6.080110      5.549780
  H      -4.449173      6.865034      6.913205
  H      -2.612115      7.584875      5.308165
  H      -4.205632      8.297281      5.004218
  H      -2.901467      7.465836      2.929849
  H      -3.139081      5.829157      3.524201
  H      -8.008302      7.713830      3.298703
  H      -7.520468      5.621497     -0.761957
  H      -5.582465      4.648111     -2.009770
  H      -3.311680      4.651836     -0.988509
  H      -2.948958      5.629835      1.252254
  H      -6.236520      0.765907      6.877054
  H      -6.428335      1.777707      5.434890
  H      -6.479895      2.797776      8.328913
  H      -6.587496      3.816913      6.881966
  H      -8.523043      1.515566      7.512199
  H      -8.829320      3.171164      8.000681
  H      -8.417950      4.475133      3.128864
  H     -12.609316      2.616551      3.102991
  H     -13.910384      1.187333      4.693745
  H     -12.918539      0.541994      6.885774
  H     -10.651441      1.294231      7.504277
  N      -5.291060      3.713806      4.004889
  H      -6.262091      3.812252      4.324074
  H      -5.270291      3.710705      2.984896
98
Coordinates from ORCA-job orca E -6204.369087318102
  N      -2.361814      2.832686      3.931306
  Mo     -3.748918      3.394004      5.260665
  N      -4.597398      1.996097      6.394252
  C      -3.849849      1.507867      7.545159
  C      -2.358814      1.588427      7.243512
  N      -2.036727      2.913732      6.658408
  C      -0.814834      2.890365      5.817636
  C      -1.125120      2.269926      4.462169
  C      -1.994972      3.992477      7.676281
  C      -2.348732      5.321775      7.022223
  N      -3.518527      5.139359      6.167603
  H      -0.277787      2.476190      3.778726
  H      -1.177122      1.165142      4.554138
  H      -0.505291      3.934781      5.671967
  H       0.005411      2.357022      6.332322
  H      -2.560035      6.062360      7.816950
  H      -1.479536      5.717038      6.458283
  H      -2.754270      3.757068      8.434576
  H      -1.008082      4.024418      8.173294
  H      -4.109223      0.453339      7.763804
  H      -4.085938      2.077773      8.468385
  H      -2.107356      0.833724      6.485169
  H      -1.746446      1.394785      8.143202
  C      -2.552735      2.568956      2.509304
  C      -2.772721      1.089388      2.148768
  C      -4.010347      0.475590      2.798936
  C      -5.328931      0.873621      2.187820
  N      -5.323218      1.636852      1.100316
  C      -6.525692      1.977033      0.565226
  N      -7.726980      1.645302      0.993286
  C      -7.763054      0.839487      2.100350
  C      -9.016957      0.429865      2.612636
  C      -9.078770     -0.390033      3.722449
  C      -7.894617     -0.836016      4.351073
  C      -6.657703     -0.447516      3.871594
  C      -6.563594      0.404692      2.744584
  C      -4.288830      6.358417      5.939662
  C      -3.636267      7.355098      4.968427
  C      -3.583319      6.838379      3.533636
  C      -4.914430      6.785502      2.828589
  N      -5.969001      7.338939      3.418639
  C      -7.160035      7.268105      2.769815
  N      -7.414190      6.724219      1.595998
  C      -6.335089      6.188691      0.942621
  C      -6.517806      5.624700     -0.342353
  C      -5.442317      5.087189     -1.022898
  C      -4.153182      5.087939     -0.444995
  C      -3.949094      5.632954      0.808271
  C      -5.031871      6.193188      1.529238
  C      -6.035761      1.772264      6.461423
  C      -6.810890      2.813676      7.280766
  C      -8.316637      2.561806      7.235228
  C      -8.989694      2.855285      5.914604
  N      -8.341314      3.583153      5.012578
  C      -8.986347      3.877182      3.849519
  N     -10.206187      3.527520      3.497696
  C     -10.892482      2.762045      4.399461
  C     -12.196830      2.319926      4.070177
  C     -12.906899      1.532444      4.954715
  C     -12.344501      1.164904      6.198286
  C     -11.074082      1.584781      6.544040
  C     -10.317464      2.386890      5.653284
  H      -1.665990      2.932318      1.950029
  H      -3.410604      3.150274      2.149936
  H      -1.889727      0.502886      2.447888
  H      -2.851541      1.013697      1.053913
  H      -3.945416     -0.626428      2.770766
  H      -4.034782      0.738759      3.872595
  H      -6.477467      2.612233     -0.323975
  H      -9.916467      0.789902      2.112569
  H     -10.048804     -0.692894      4.121102
  H      -7.960009     -1.484334      5.226649
  H      -5.748519     -0.781458      4.372230
  H      -5.275444      6.079282      5.548985
  H      -4.450107      6.865332      6.911621
  H      -2.612459      7.582419      5.305666
  H      -4.205521      8.295740      5.001724
  H      -2.901839      7.461121      2.927396
  H      -3.142314      5.825431      3.523124
  H      -8.008855      7.715643      3.297975
  H      -7.523627      5.626866     -0.764752
  H      -5.587085      4.651735     -2.013350
  H      -3.316312      4.650582     -0.991692
  H      -2.952288      5.626347      1.249790
  H      -6.235651      0.763960      6.878354
  H      -6.427966      1.776062      5.436468
  H      -6.478837      2.795451      8.330797
  H      -6.585997      3.815080      6.884179
  H      -8.522975      1.514828      7.514273
  H      -8.827749      3.170648      8.002912
  H      -8.416021      4.474952      3.131217
  H     -12.607979      2.617525      3.104522
  H     -13.910103      1.189484      4.695411
  H     -12.919147      0.544461      6.887963
  H     -10.651746      1.295637      7.506667
  N      -5.290804      3.712623      4.005346
  H      -6.261830      3.809162      4.324988
  H      -5.270269      3.711666      2.985378
98
Coordinates from ORCA-job orca E -6204.369087537211
  N      -2.362060      2.833115      3.931201
  Mo     -3.749548      3.393238      5.260626
  N      -4.597505      1.994766      6.394026
  C      -3.849659      1.506227      7.544608
  C      -2.358679      1.587832      7.242996
  N      -2.037412      2.913552      6.658399
  C      -0.815390      2.891337      5.817772
  C      -1.125045      2.271042      4.462098
  C      -1.996615      3.991946      7.676693
  C      -2.350808      5.321319      7.023026
  N      -3.520061      5.138665      6.167693
  H      -0.277741      2.478007      3.778833
  H      -1.176367      1.166209      4.553813
  H      -0.506638      3.936033      5.672449
  H       0.005196      2.358495      6.332434
  H      -2.562935      6.061418      7.817984
  H      -1.481552      5.717312      6.459693
  H      -2.756098      3.755807      8.434574
  H      -1.009941      4.024211      8.174119
  H      -4.108372      0.451382      7.762531
  H      -4.086138      2.075351      8.468212
  H      -2.106706      0.833568      6.484387
  H      -1.746231      1.394224      8.142637
  C      -2.552740      2.569605      2.509133
  C      -2.771649      1.089939      2.148325
  C      -4.009233      0.475429      2.797897
  C      -5.327858      0.873668      2.186967
  N      -5.322204      1.636594      1.099261
  C      -6.524734      1.977141      0.564497
  N      -7.726002      1.646221      0.993203
  C      -7.762023      0.840612      2.100420
  C      -9.015926      0.431762      2.613332
  C      -9.077674     -0.388100      3.723172
  C      -7.893471     -0.834800      4.351205
  C      -6.656570     -0.446951      3.871188
  C      -6.562522      0.405242      2.744160
  C      -4.290305      6.357652      5.939183
  C      -3.637249      7.354242      4.968148
  C      -3.583978      6.837277      3.533480
  C      -4.914859      6.784618      2.828059
  N      -5.969629      7.337924      3.417896
  C      -7.160428      7.267362      2.768621
  N      -7.414170      6.723976      1.594482
  C      -6.334892      6.188416      0.941410
  C      -6.517158      5.624741     -0.343761
  C      -5.441470      5.087138     -1.023934
  C      -4.152609      5.087370     -0.445434
  C      -3.948984      5.632010      0.808074
  C      -5.031931      6.192479      1.528592
  C      -6.035927      1.771309      6.461802
  C      -6.810494      2.812990      7.281320
  C      -8.316362      2.561780      7.236012
  C      -8.989479      2.855304      5.915464
  N      -8.340906      3.582803      5.013299
  C      -8.985922      3.876948      3.850287
  N     -10.205968      3.527820      3.498641
  C     -10.892477      2.762712      4.400542
  C     -12.197052      2.321118      4.071447
  C     -12.907335      1.533981      4.956111
  C     -12.344941      1.166294      6.199645
  C     -11.074320      1.585676      6.545232
  C     -10.317461      2.387403      5.654321
  H      -1.666342      2.933845      1.949884
  H      -3.411152      3.150259      2.149997
  H      -1.888508      0.503943      2.448007
  H      -2.849736      1.014165      1.053428
  H      -3.944101     -0.626562      2.768797
  H      -4.033860      0.737735      3.871748
  H      -6.476547      2.611961     -0.324973
  H      -9.915473      0.792282      2.113678
  H     -10.047688     -0.690425      4.122289
  H      -7.958828     -1.483118      5.226786
  H      -5.747324     -0.781370      4.371390
  H      -5.276729      6.078451      5.548065
  H      -4.452066      6.864687      6.910990
  H      -2.613527      7.581435      5.305720
  H      -4.206358      8.294981      5.001248
  H      -2.901950      7.459361      2.927202
  H      -3.143429      5.824113      3.523564
  H      -8.009429      7.714698      3.296666
  H      -7.522786      5.627221     -0.766609
  H      -5.585914      4.652042     -2.014593
  H      -3.315595      4.649862     -0.991795
  H      -2.952406      5.624907      1.250095
  H      -6.235870      0.763070      6.878854
  H      -6.428521      1.775112      5.436986
  H      -6.478374      2.794588      8.331331
  H      -6.585225      3.814323      6.884767
  H      -8.523216      1.515013      7.515409
  H      -8.826991      3.171174      8.003578
  H      -8.415440      4.474347      3.131832
  H     -12.608206      2.618830      3.105829
  H     -13.910699      1.191397      4.696933
  H     -12.919770      0.546150      6.889438
  H     -10.652009      1.296470      7.507850
  N      -5.291169      3.711774      4.004827
  H      -6.262050      3.808501      4.324884
  H      -5.270965      3.711779      2.984862
