101
Coordinates from ORCA-job orca E -6430.032019764970
  N      -2.889888      0.554319      4.654278
  Mo     -3.558285      2.372925      4.833364
  N      -4.873888      1.998412      6.206399
  C      -4.415329      1.786637      7.570361
  C      -2.993370      1.222056      7.561964
  N      -2.168413      1.975370      6.606675
  C      -1.057227      1.161611      6.104402
  C      -1.609664      0.097114      5.134634
  C      -1.661901      3.220517      7.201056
  C      -1.721162      4.285174      6.097961
  N      -3.026321      4.163270      5.494467
  H      -0.893619     -0.049194      4.313126
  H      -1.719957     -0.869309      5.649392
  H      -0.373433      1.822998      5.568014
  H      -0.513778      0.687172      6.931071
  H      -1.544021      5.281237      6.516691
  H      -0.941806      4.091508      5.346393
  H      -2.327943      3.528734      8.010502
  H      -0.650904      3.092945      7.600667
  H      -5.070868      1.077920      8.096300
  H      -4.446734      2.732100      8.133510
  H      -3.040289      0.180505      7.235956
  H      -2.554118      1.252466      8.566192
  C      -3.848583     -0.490341      4.427423
  C      -3.471455     -1.399772      3.243044
  C      -3.406462     -0.617948      1.937557
  O      -4.743359     -0.245000      1.578035
  C      -4.890934      0.183903      0.271756
  C      -5.668630     -0.553526     -0.602116
  C      -5.826446     -0.098591     -1.911224
  N      -5.271070      0.993863     -2.384043
  C      -4.513321      1.735059     -1.551604
  C      -3.918589      2.921881     -2.021608
  C      -3.164795      3.675999     -1.148891
  C      -3.020649      3.243781      0.168560
  N      -3.551660      2.135809      0.646696
  C      -4.289468      1.379496     -0.191089
  C      -3.937177      5.230364      5.830588
  C      -4.999684      5.387774      4.744543
  C      -4.362366      5.793022      3.411490
  O      -5.042880      5.217927      2.304011
  C      -6.272731      5.684510      1.944579
  C      -6.815823      6.899757      2.311568
  C      -8.037135      7.285093      1.756169
  N      -8.709585      6.584817      0.875747
  C      -8.214551      5.387735      0.511434
  C      -8.891786      4.619061     -0.458907
  C      -8.386272      3.383598     -0.786866
  C      -7.260429      2.916219     -0.106356
  N      -6.577642      3.610452      0.777596
  C      -7.019036      4.855730      1.061615
  C      -6.306232      1.905075      6.120218
  C      -7.058274      3.071437      6.803353
  C      -8.269421      3.473777      5.972279
  O      -7.803753      3.962147      4.708889
  C      -8.716246      3.802133      3.678360
  C      -9.676104      4.769547      3.428579
  C     -10.572517      4.571140      2.386320
  N     -10.587534      3.496394      1.624064
  C      -9.680976      2.529851      1.865315
  C      -9.701977      1.353571      1.095357
  C      -8.779059      0.358285      1.369688
  C      -7.834256      0.573244      2.359595
  N      -7.766866      1.672386      3.103233
  C      -8.688839      2.639428      2.879493
  H      -3.956553     -1.129308      5.324342
  H      -4.818993     -0.026441      4.211776
  H      -2.498720     -1.858921      3.419213
  H      -4.219579     -2.187603      3.145519
  H      -2.984218     -1.242939      1.140714
  H      -2.789929      0.284531      2.049023
  H      -6.141638     -1.462963     -0.266838
  H      -6.428252     -0.656378     -2.616133
  H      -4.075301      3.211067     -3.048843
  H      -2.694354      4.592307     -1.469435
  H      -2.436808      3.809291      0.881980
  H      -3.389199      6.179075      5.926271
  H      -4.442751      5.038815      6.794096
  H      -5.751533      6.115905      5.052258
  H      -5.496953      4.422276      4.603333
  H      -3.356627      5.360358      3.343312
  H      -4.289020      6.879927      3.301213
  H      -6.316073      7.565219      2.995546
  H      -8.481262      8.232460      2.030792
  H      -9.784436      5.018241     -0.912124
  H      -8.855925      2.761468     -1.531492
  H      -6.894648      1.915222     -0.285938
  H      -6.657453      0.955394      6.560772
  H      -6.584900      1.908901      5.065684
  H      -6.394936      3.934679      6.870930
  H      -7.391107      2.804528      7.806022
  H      -8.847818      4.262799      6.470998
  H      -8.925547      2.608743      5.811725
  H      -9.716862      5.661658      4.033659
  H     -11.322584      5.313959      2.154008
  H     -10.448735      1.246291      0.325292
  H      -8.777175     -0.564963      0.812174
  H      -7.073910     -0.167084      2.575798
  N      -4.656158      2.767613      3.051287
  H      -4.300406      3.256016      2.222084
  H      -5.631350      2.501901      2.875011
101
Coordinates from ORCA-job orca E -6430.059709174185
  N      -2.843807      0.509860      4.673846
  Mo     -3.526475      2.341106      4.843963
  N      -4.854833      1.980924      6.208639
  C      -4.399996      1.778600      7.582493
  C      -2.976718      1.217322      7.592682
  N      -2.139473      1.969472      6.633371
  C      -1.017503      1.152610      6.139906
  C      -1.556518      0.076031      5.174318
  C      -1.636943      3.228954      7.216156
  C      -1.691124      4.275931      6.097127
  N      -3.000547      4.158278      5.482049
  H      -0.827989     -0.069713      4.359916
  H      -1.661218     -0.891070      5.696304
  H      -0.333055      1.818857      5.601924
  H      -0.472079      0.688491      6.975852
  H      -1.513309      5.280572      6.503931
  H      -0.902084      4.069463      5.354749
  H      -2.308635      3.547187      8.021327
  H      -0.624327      3.104670      7.625338
  H      -5.061610      1.072474      8.109906
  H      -4.434910      2.731589      8.141780
  H      -3.016695      0.170518      7.272956
  H      -2.543759      1.256174      8.603927
  C      -3.784400     -0.568591      4.438686
  C      -3.373850     -1.498262      3.271092
  C      -3.304868     -0.770307      1.934412
  O      -4.648913     -0.446418      1.534433
  C      -4.796705     -0.052197      0.220320
  C      -5.554847     -0.817603     -0.651685
  C      -5.722499     -0.373520     -1.972173
  N      -5.196241      0.742033     -2.458288
  C      -4.455341      1.510474     -1.620140
  C      -3.894819      2.727222     -2.080576
  C      -3.167640      3.506884     -1.196872
  C      -3.004882      3.066085      0.119514
  N      -3.500219      1.932190      0.586842
  C      -4.221748      1.157066     -0.253874
  C      -3.912623      5.249873      5.811841
  C      -4.993394      5.488200      4.749558
  C      -4.402560      5.966922      3.413656
  O      -5.127825      5.460836      2.297541
  C      -6.374345      5.887332      1.987922
  C      -6.996453      7.049480      2.411513
  C      -8.258042      7.363428      1.879200
  N      -8.893924      6.643307      0.970219
  C      -8.307272      5.490565      0.559046
  C      -8.929703      4.686436     -0.427049
  C      -8.331109      3.496377     -0.788010
  C      -7.155448      3.100107     -0.128638
  N      -6.523067      3.830339      0.771380
  C      -7.066115      5.033860      1.085585
  C      -6.294413      1.896452      6.074746
  C      -7.075520      3.046094      6.767064
  C      -8.297296      3.469433      5.960076
  O      -7.876955      4.025854      4.706325
  C      -8.822514      3.884381      3.709394
  C      -9.826844      4.826273      3.542017
  C     -10.765048      4.638876      2.523630
  N     -10.767797      3.597491      1.701973
  C      -9.801568      2.658618      1.860269
  C      -9.781595      1.527710      1.016234
  C      -8.796679      0.566573      1.200444
  C      -7.825141      0.770668      2.180695
  N      -7.791480      1.830276      2.990393
  C      -8.774598      2.760107      2.850911
  H      -3.886425     -1.194168      5.348516
  H      -4.766011     -0.132850      4.207539
  H      -2.388228     -1.931445      3.476993
  H      -4.104769     -2.311610      3.187689
  H      -2.852379     -1.415479      1.165673
  H      -2.711563      0.151605      2.022650
  H      -6.010560     -1.740822     -0.307187
  H      -6.314918     -0.959662     -2.674244
  H      -4.062932      3.021378     -3.112032
  H      -2.729112      4.451696     -1.500947
  H      -2.442287      3.653407      0.844871
  H      -3.346205      6.189819      5.927456
  H      -4.411970      5.041719      6.778111
  H      -5.721866      6.220553      5.115255
  H      -5.519910      4.542175      4.573832
  H      -3.401553      5.539349      3.262479
  H      -4.327861      7.063193      3.371538
  H      -6.533127      7.725797      3.121609
  H      -8.767342      8.272279      2.199403
  H      -9.864026      5.023519     -0.863274
  H      -8.767868      2.846630     -1.540461
  H      -6.708835      2.128758     -0.335652
  H      -6.650998      0.939280      6.498982
  H      -6.547744      1.909356      4.997211
  H      -6.417499      3.916306      6.871279
  H      -7.418084      2.742960      7.762821
  H      -8.879800      4.231323      6.502430
  H      -8.947546      2.600386      5.775006
  H      -9.872814      5.696553      4.189420
  H     -11.554296      5.370424      2.359140
  H     -10.545170      1.434202      0.250436
  H      -8.761431     -0.322433      0.577876
  H      -7.012475      0.057008      2.320812
  N      -4.607909      2.696339      3.116700
  H      -4.262251      3.170167      2.284548
  H      -5.581534      2.420686      2.953293
101
Coordinates from ORCA-job orca E -6430.069211672993
  N      -2.903427      0.497787      4.664947
  Mo     -3.573526      2.351606      4.878160
  N      -4.896344      1.999716      6.255978
  C      -4.428185      1.781930      7.626832
  C      -3.015347      1.196024      7.621641
  N      -2.167759      1.946099      6.657969
  C      -1.056088      1.118910      6.138730
  C      -1.609087      0.060811      5.161939
  C      -1.641797      3.203994      7.243020
  C      -1.689098      4.252010      6.125270
  N      -3.011991      4.172244      5.512823
  H      -0.879025     -0.075744      4.343765
  H      -1.714586     -0.917389      5.669721
  H      -0.370000      1.792338      5.604376
  H      -0.502492      0.641170      6.965857
  H      -1.487446      5.256295      6.530598
  H      -0.903195      4.029565      5.380592
  H      -2.302881      3.527290      8.058862
  H      -0.624821      3.059640      7.645933
  H      -5.099047      1.080543      8.154556
  H      -4.443343      2.733363      8.197581
  H      -3.071116      0.150553      7.291221
  H      -2.571373      1.218883      8.632521
  C      -3.831520     -0.598627      4.399941
  C      -3.391115     -1.502632      3.218577
  C      -3.318836     -0.777737      1.880111
  O      -4.672472     -0.490177      1.465192
  C      -4.858961     -0.085939      0.163571
  C      -5.613113     -0.869008     -0.701113
  C      -5.842326     -0.411074     -2.013770
  N      -5.382088      0.742033     -2.505893
  C      -4.645060      1.529922     -1.668804
  C      -4.158260      2.788058     -2.117444
  C      -3.443108      3.591313     -1.238062
  C      -3.210056      3.129106      0.066459
  N      -3.631267      1.954497      0.524377
  C      -4.348686      1.159809     -0.310763
  C      -3.905164      5.290097      5.840629
  C      -4.969854      5.562524      4.771022
  C      -4.346328      6.021563      3.444179
  O      -5.077022      5.545041      2.311863
  C      -6.288914      6.025123      1.994475
  C      -6.855539      7.219887      2.414517
  C      -8.105747      7.593669      1.874996
  N      -8.783434      6.901020      0.964635
  C      -8.246156      5.708951      0.564074
  C      -8.914099      4.913189     -0.402316
  C      -8.383165      3.682685     -0.740962
  C      -7.209015      3.237744     -0.088897
  N      -6.533196      3.957181      0.794402
  C      -7.021682      5.194144      1.092916
  C      -6.340895      1.937849      6.091825
  C      -7.135281      3.091516      6.764694
  C      -8.340216      3.482588      5.924487
  O      -7.872124      3.995707      4.666275
  C      -8.753118      3.782791      3.631945
  C      -9.741595      4.699297      3.305840
  C     -10.600539      4.414055      2.229146
  N     -10.535219      3.302004      1.493660
  C      -9.574305      2.387423      1.814972
  C      -9.462118      1.189277      1.068348
  C      -8.494965      0.257859      1.424379
  C      -7.616511      0.552724      2.479762
  N      -7.657392      1.682512      3.194978
  C      -8.632398      2.584438      2.881747
  H      -3.925929     -1.237089      5.303775
  H      -4.822769     -0.180234      4.172718
  H      -2.394021     -1.917975      3.435428
  H      -4.104269     -2.337368      3.123421
  H      -2.841746     -1.414113      1.114672
  H      -2.748833      0.159348      1.973561
  H      -6.023460     -1.820279     -0.356229
  H      -6.436401     -1.020829     -2.704182
  H      -4.378295      3.096976     -3.141223
  H      -3.065564      4.572870     -1.530947
  H      -2.657330      3.739246      0.791608
  H      -3.308252      6.214255      5.961587
  H      -4.413361      5.095104      6.807237
  H      -5.678077      6.320169      5.137327
  H      -5.532790      4.635279      4.579478
  H      -3.358676      5.558855      3.299243
  H      -4.229716      7.119207      3.407647
  H      -6.355969      7.877522      3.127730
  H      -8.566837      8.534792      2.197377
  H      -9.843481      5.286856     -0.834746
  H      -8.875900      3.031989     -1.467104
  H      -6.810331      2.234392     -0.282338
  H      -6.707423      0.978520      6.507134
  H      -6.575922      1.953003      5.003533
  H      -6.478476      3.968228      6.876247
  H      -7.501840      2.799659      7.761468
  H      -8.953982      4.251159      6.428415
  H      -8.972152      2.595307      5.743180
  H      -9.833929      5.631951      3.865217
  H     -11.374322      5.132957      1.940319
  H     -10.143373      1.030285      0.230602
  H      -8.393337     -0.682573      0.878427
  H      -6.821438     -0.145744      2.752632
  N      -4.651318      2.717956      3.243463
  H      -4.321429      3.193282      2.406828
  H      -5.633422      2.454616      3.105488
101
Coordinates from ORCA-job orca E -6430.076520238882
  N      -2.880361      0.499003      4.671571
  Mo     -3.555674      2.371068      4.889520
  N      -4.878105      2.027558      6.272751
  C      -4.406276      1.810927      7.643112
  C      -2.996186      1.220993      7.640797
  N      -2.141621      1.968785      6.674548
  C      -1.029564      1.136739      6.152315
  C      -1.581788      0.075824      5.181163
  C      -1.614693      3.239096      7.247910
  C      -1.661168      4.278142      6.120891
  N      -2.988630      4.205040      5.505845
  H      -0.845372     -0.064024      4.367191
  H      -1.684761     -0.902420      5.693307
  H      -0.344180      1.813438      5.617525
  H      -0.471440      0.664522      6.981834
  H      -1.456796      5.287300      6.517847
  H      -0.871023      4.049132      5.381297
  H      -2.276729      3.565481      8.063787
  H      -0.596975      3.094575      7.654768
  H      -5.081698      1.111935      8.171582
  H      -4.418980      2.764052      8.214872
  H      -3.048981      0.174334      7.309090
  H      -2.551747      1.243944      8.653385
  C      -3.794110     -0.614780      4.402144
  C      -3.330614     -1.523165      3.240351
  C      -3.245626     -0.820151      1.897391
  O      -4.598455     -0.553759      1.452770
  C      -4.755098     -0.155275      0.152967
  C      -5.485139     -0.945799     -0.727121
  C      -5.690734     -0.493912     -2.047818
  N      -5.231658      0.663847     -2.541806
  C      -4.516898      1.459446     -1.685520
  C      -4.038548      2.724226     -2.125411
  C      -3.358163      3.545089     -1.234223
  C      -3.142549      3.089557      0.081502
  N      -3.549537      1.903308      0.535604
  C      -4.241227      1.096055     -0.316048
  C      -3.893424      5.316078      5.824561
  C      -4.951987      5.531733      4.746189
  C      -4.327210      5.970796      3.422253
  O      -5.027267      5.440217      2.285654
  C      -6.257194      5.863411      1.987836
  C      -6.871171      7.009675      2.474660
  C      -8.147773      7.356449      1.970777
  N      -8.811702      6.694166      1.027269
  C      -8.224611      5.545441      0.558498
  C      -8.878343      4.777053     -0.438082
  C      -8.319769      3.582555     -0.842099
  C      -7.116774      3.141060     -0.232020
  N      -6.446238      3.838012      0.678233
  C      -6.972463      5.043798      1.046721
  C      -6.321827      1.975564      6.079152
  C      -7.119323      3.114849      6.760923
  C      -8.346036      3.504680      5.953995
  O      -7.952397      4.066407      4.683167
  C      -8.909862      3.883554      3.713697
  C      -9.945094      4.789345      3.537338
  C     -10.906383      4.540699      2.535668
  N     -10.888762      3.481934      1.718925
  C      -9.862590      2.589056      1.874480
  C      -9.767887      1.471218      1.006254
  C      -8.728440      0.566456      1.172298
  C      -7.760302      0.807224      2.166893
  N      -7.781779      1.862915      2.993601
  C      -8.824410      2.740121      2.863685
  H      -3.888706     -1.241638      5.314588
  H      -4.789685     -0.211882      4.165598
  H      -2.329173     -1.924957      3.476763
  H      -4.031013     -2.372912      3.150620
  H      -2.747661     -1.461257      1.147692
  H      -2.689756      0.126396      1.985677
  H      -5.897312     -1.901577     -0.387865
  H      -6.267445     -1.118001     -2.744211
  H      -4.244957      3.027928     -3.156651
  H      -2.996231      4.537671     -1.523484
  H      -2.625946      3.720552      0.820539
  H      -3.305455      6.248705      5.939385
  H      -4.404197      5.130364      6.792199
  H      -5.686691      6.275898      5.093308
  H      -5.489895      4.587330      4.566959
  H      -3.321849      5.540669      3.303229
  H      -4.247589      7.073329      3.360961
  H      -6.388843      7.648915      3.220462
  H      -8.638527      8.261441      2.355966
  H      -9.831444      5.139452     -0.834893
  H      -8.816344      2.946039     -1.582334
  H      -6.699842      2.157250     -0.482617
  H      -6.684952      1.008542      6.482104
  H      -6.550312      2.000307      4.990582
  H      -6.464315      3.994566      6.887974
  H      -7.476903      2.806796      7.759618
  H      -8.953278      4.249948      6.502087
  H      -8.975689      2.613397      5.774013
  H      -9.999887      5.692320      4.154232
  H     -11.721410      5.258659      2.376937
  H     -10.513957      1.364347      0.212820
  H      -8.632339     -0.307970      0.520611
  H      -6.905251      0.130864      2.275256
  N      -4.611947      2.718556      3.321464
  H      -4.289239      3.188668      2.471534
  H      -5.599044      2.454307      3.198513
101
Coordinates from ORCA-job orca E -6430.081733324203
  N      -2.926354      0.477807      4.654184
  Mo     -3.599615      2.349641      4.873202
  N      -4.903850      2.035183      6.282169
  C      -4.422718      1.832652      7.645416
  C      -3.020036      1.229143      7.633324
  N      -2.169336      1.957645      6.655385
  C      -1.072075      1.113685      6.132007
  C      -1.636240      0.049050      5.173346
  C      -1.634083      3.229408      7.204279
  C      -1.674064      4.247937      6.061770
  N      -2.999715      4.186878      5.452437
  H      -0.899875     -0.109387      4.364427
  H      -1.747862     -0.921690      5.694369
  H      -0.386098      1.780353      5.590082
  H      -0.511079      0.647040      6.960308
  H      -1.455052      5.258867      6.441699
  H      -0.890219      4.001479      5.323626
  H      -2.290698      3.569979      8.016318
  H      -0.619053      3.083183      7.610726
  H      -5.099159      1.148084      8.188667
  H      -4.420566      2.790118      8.205267
  H      -3.082794      0.181959      7.310513
  H      -2.566508      1.256968      8.639384
  C      -3.839271     -0.624158      4.371055
  C      -3.367452     -1.533749      3.220592
  C      -3.264895     -0.828234      1.881765
  O      -4.609657     -0.559748      1.419249
  C      -4.733880     -0.144575      0.121080
  C      -5.457288     -0.918750     -0.776762
  C      -5.634908     -0.457907     -2.092827
  N      -5.155061      0.691272     -2.568677
  C      -4.448628      1.470436     -1.697945
  C      -3.953260      2.726544     -2.126913
  C      -3.285530      3.538365     -1.224713
  C      -3.097729      3.080211      0.091351
  N      -3.516449      1.898107      0.536637
  C      -4.200630      1.102417     -0.328729
  C      -3.877473      5.313024      5.784647
  C      -4.939865      5.572382      4.722819
  C      -4.311530      6.033257      3.410538
  O      -5.007606      5.519161      2.263625
  C      -6.247943      5.936336      1.968033
  C      -6.875895      7.071275      2.458612
  C      -8.155441      7.401908      1.962287
  N      -8.814798      6.734303      1.027331
  C      -8.220768      5.594308      0.560947
  C      -8.880886      4.807533     -0.413698
  C      -8.317752      3.613744     -0.806287
  C      -7.101766      3.199326     -0.214193
  N      -6.429499      3.913206      0.675227
  C      -6.962146      5.111636      1.036948
  C      -6.344729      1.996067      6.109243
  C      -7.111346      3.151714      6.791076
  C      -8.353050      3.524683      6.002600
  O      -7.967992      4.057586      4.716668
  C      -8.919492      3.838494      3.746003
  C      -9.958579      4.731746      3.539756
  C     -10.911944      4.448601      2.546936
  N     -10.884117      3.373137      1.761437
  C      -9.850573      2.499624      1.935639
  C      -9.736035      1.376301      1.082019
  C      -8.683044      0.492500      1.261627
  C      -7.727983      0.758801      2.255388
  N      -7.768522      1.821545      3.066511
  C      -8.820631      2.680158      2.922198
  H      -3.951662     -1.248705      5.281674
  H      -4.828257     -0.213486      4.123920
  H      -2.374440     -1.941830      3.466720
  H      -4.065695     -2.380694      3.125887
  H      -2.760313     -1.469227      1.139558
  H      -2.711052      0.118260      1.974561
  H      -5.884738     -1.868506     -0.453176
  H      -6.203414     -1.068499     -2.801090
  H      -4.138713      3.032271     -3.157437
  H      -2.916148      4.524905     -1.509242
  H      -2.602045      3.709303      0.838895
  H      -3.264985      6.226012      5.908242
  H      -4.383062      5.132768      6.754725
  H      -5.658970      6.316824      5.092626
  H      -5.495359      4.645545      4.527583
  H      -3.309046      5.600282      3.296837
  H      -4.224899      7.132550      3.361958
  H      -6.401904      7.713421      3.199643
  H      -8.653176      8.297236      2.349252
  H      -9.842820      5.150593     -0.795706
  H      -8.821363      2.957660     -1.517561
  H      -6.675457      2.223063     -0.459399
  H      -6.715409      1.036605      6.521194
  H      -6.587050      2.014146      5.031261
  H      -6.452368      4.028534      6.887135
  H      -7.442674      2.866815      7.802148
  H      -8.952419      4.279252      6.542097
  H      -8.984061      2.631868      5.849604
  H     -10.016744      5.652014      4.122444
  H     -11.728989      5.153009      2.367630
  H     -10.467227      1.256293      0.281677
  H      -8.565598     -0.381377      0.619606
  H      -6.864944      0.099917      2.374624
  N      -4.681659      2.685952      3.304115
  H      -4.363349      3.123026      2.431610
  H      -5.676101      2.433248      3.196229
101
Coordinates from ORCA-job orca E -6430.085153558452
  N      -2.949803      0.453980      4.654885
  Mo     -3.636015      2.325383      4.884711
  N      -4.918724      2.036815      6.321859
  C      -4.426202      1.851435      7.679763
  C      -3.029789      1.236282      7.657242
  N      -2.183518      1.948567      6.665147
  C      -1.096131      1.097588      6.135912
  C      -1.665525      0.028260      5.189028
  C      -1.642967      3.227884      7.185699
  C      -1.679170      4.220622      6.023474
  N      -3.006869      4.171453      5.419754
  H      -0.924121     -0.146126      4.387715
  H      -1.782958     -0.937059      5.719458
  H      -0.412776      1.760644      5.586596
  H      -0.526433      0.637756      6.962261
  H      -1.443779      5.236161      6.381202
  H      -0.900410      3.952018      5.287883
  H      -2.295082      3.583886      7.994530
  H      -0.628141      3.083352      7.593474
  H      -5.102523      1.179999      8.239678
  H      -4.410236      2.815073      8.228521
  H      -3.100579      0.187289      7.342236
  H      -2.565127      1.268749      8.658215
  C      -3.849562     -0.649760      4.348356
  C      -3.357429     -1.548620      3.201320
  C      -3.245614     -0.836255      1.867525
  O      -4.590846     -0.579243      1.395794
  C      -4.714120     -0.140192      0.105801
  C      -5.437182     -0.907420     -0.799321
  C      -5.621836     -0.436318     -2.108587
  N      -5.148531      0.717797     -2.573974
  C      -4.445421      1.491380     -1.696297
  C      -3.959691      2.751979     -2.118699
  C      -3.301086      3.565783     -1.213499
  C      -3.113652      3.105141      0.101378
  N      -3.516711      1.915139      0.541020
  C      -4.191947      1.116360     -0.330442
  C      -3.864039      5.312159      5.761331
  C      -4.936598      5.596400      4.716603
  C      -4.308999      6.047900      3.400939
  O      -5.003057      5.528426      2.252366
  C      -6.244607      5.949273      1.958707
  C      -6.865441      7.088789      2.447289
  C      -8.142827      7.428143      1.953119
  N      -8.813084      6.759718      1.028454
  C      -8.229337      5.612041      0.568355
  C      -8.901206      4.821680     -0.395292
  C      -8.343306      3.626594     -0.791658
  C      -7.121074      3.213759     -0.213866
  N      -6.441343      3.930178      0.666633
  C      -6.968537      5.127568      1.033332
  C      -6.358271      2.010960      6.150643
  C      -7.108177      3.189154      6.806961
  C      -8.352753      3.541586      6.014247
  O      -7.956593      4.044513      4.717294
  C      -8.898733      3.816422      3.738378
  C      -9.939734      4.705483      3.522428
  C     -10.888074      4.414809      2.528720
  N     -10.859624      3.332161      1.754514
  C      -9.820592      2.466586      1.932231
  C      -9.706470      1.334305      1.090384
  C      -8.643853      0.461173      1.268227
  C      -7.686505      0.741137      2.254553
  N      -7.732515      1.807375      3.059982
  C      -8.790342      2.658330      2.915893
  H      -3.974019     -1.277465      5.255744
  H      -4.838151     -0.243142      4.091968
  H      -2.365972     -1.954375      3.456320
  H      -4.044830     -2.402912      3.097283
  H      -2.730312     -1.470563      1.127131
  H      -2.702976      0.115816      1.965819
  H      -5.857965     -1.862675     -0.484780
  H      -6.188149     -1.045063     -2.820051
  H      -4.146516      3.059714     -3.148018
  H      -2.942081      4.555196     -1.498918
  H      -2.635675      3.741503      0.853161
  H      -3.228974      6.210047      5.878510
  H      -4.357928      5.145801      6.740306
  H      -5.639277      6.348629      5.101257
  H      -5.512718      4.682018      4.525821
  H      -3.309025      5.607512      3.299553
  H      -4.213266      7.145064      3.339405
  H      -6.384904      7.730714      3.183210
  H      -8.629812      8.329368      2.339927
  H      -9.864917      5.166451     -0.770570
  H      -8.851590      2.972217     -1.499865
  H      -6.692753      2.241250     -0.470271
  H      -6.743061      1.060716      6.572285
  H      -6.598318      2.013130      5.075639
  H      -6.445576      4.065175      6.875030
  H      -7.428987      2.937859      7.830301
  H      -8.953940      4.308463      6.533190
  H      -8.984518      2.646645      5.880774
  H     -10.003033      5.627458      4.100356
  H     -11.708959      5.114659      2.348976
  H     -10.444432      1.200968      0.298731
  H      -8.521642     -0.416571      0.632903
  H      -6.821224      0.085692      2.376753
  N      -4.743235      2.642108      3.340338
  H      -4.437636      3.040122      2.443763
  H      -5.746639      2.403684      3.259489
101
Coordinates from ORCA-job orca E -6430.087904262102
  N      -2.971644      0.444297      4.652365
  Mo     -3.665011      2.314625      4.892576
  N      -4.933435      2.052268      6.351170
  C      -4.435040      1.878320      7.706269
  C      -3.047135      1.245932      7.677503
  N      -2.200178      1.941123      6.675832
  C      -1.123133      1.079880      6.143976
  C      -1.699103      0.010531      5.205832
  C      -1.649853      3.224526      7.173461
  C      -1.671997      4.194530      5.993402
  N      -3.000197      4.161619      5.389868
  H      -0.950776     -0.185094      4.415334
  H      -1.833157     -0.948426      5.745436
  H      -0.436573      1.736152      5.590024
  H      -0.550506      0.620879      6.969526
  H      -1.416245      5.212347      6.331418
  H      -0.897763      3.900037      5.262570
  H      -2.299475      3.599074      7.976164
  H      -0.637076      3.077275      7.587170
  H      -5.114818      1.220897      8.278980
  H      -4.403782      2.846794      8.246560
  H      -3.131124      0.196025      7.367556
  H      -2.574688      1.277772      8.675524
  C      -3.866434     -0.655777      4.320238
  C      -3.360556     -1.546215      3.174341
  C      -3.240070     -0.825852      1.846186
  O      -4.585324     -0.574360      1.368052
  C      -4.703359     -0.114837      0.084853
  C      -5.431430     -0.869546     -0.828141
  C      -5.610230     -0.389434     -2.134446
  N      -5.123295      0.762963     -2.590255
  C      -4.416261      1.524260     -1.704357
  C      -3.914316      2.780989     -2.120622
  C      -3.254337      3.587077     -1.209233
  C      -3.084546      3.123651      0.107139
  N      -3.498928      1.934763      0.540924
  C      -4.172333      1.141549     -0.338782
  C      -3.839964      5.313875      5.735202
  C      -4.916369      5.610210      4.696541
  C      -4.290218      6.049525      3.375121
  O      -4.980158      5.517070      2.228515
  C      -6.225556      5.936346      1.945548
  C      -6.840028      7.074143      2.446903
  C      -8.122726      7.419176      1.970979
  N      -8.808394      6.752467      1.056226
  C      -8.232551      5.604951      0.584516
  C      -8.923710      4.815906     -0.367124
  C      -8.371669      3.623857     -0.781923
  C      -7.134054      3.214116     -0.236683
  N      -6.438602      3.928497      0.633988
  C      -6.961752      5.120622      1.023510
  C      -6.374237      2.038358      6.183270
  C      -7.110841      3.236437      6.817162
  C      -8.364460      3.571254      6.029842
  O      -7.971690      4.043887      4.720202
  C      -8.911496      3.793348      3.744259
  C      -9.963699      4.669645      3.522446
  C     -10.910385      4.361064      2.533539
  N     -10.872557      3.270097      1.770218
  C      -9.821870      2.418804      1.951161
  C      -9.698476      1.279201      1.119500
  C      -8.622056      0.421057      1.297790
  C      -7.664041      0.720539      2.276751
  N      -7.721708      1.793222      3.074620
  C      -8.790227      2.631535      2.929888
  H      -4.007749     -1.288249      5.222324
  H      -4.851557     -0.246632      4.053535
  H      -2.371777     -1.955517      3.435789
  H      -4.043389     -2.403089      3.059711
  H      -2.718392     -1.455041      1.105509
  H      -2.703375      0.129014      1.950373
  H      -5.859241     -1.824441     -0.520537
  H      -6.180097     -0.990114     -2.850996
  H      -4.089974      3.091562     -3.151481
  H      -2.883726      4.572085     -1.496007
  H      -2.614226      3.758176      0.865379
  H      -3.188685      6.201002      5.845925
  H      -4.328435      5.160735      6.719567
  H      -5.609495      6.367996      5.088202
  H      -5.505796      4.701973      4.512506
  H      -3.288739      5.608908      3.286202
  H      -4.195356      7.145680      3.296593
  H      -6.349282      7.712595      3.180075
  H      -8.600477      8.321535      2.368358
  H      -9.896296      5.160380     -0.720088
  H      -8.893462      2.971359     -1.482714
  H      -6.706898      2.246565     -0.513567
  H      -6.771325      1.098254      6.616874
  H      -6.615319      2.023075      5.109012
  H      -6.445836      4.112603      6.851569
  H      -7.413988      3.016951      7.853687
  H      -8.962424      4.350841      6.533367
  H      -8.998653      2.674881      5.919136
  H     -10.035201      5.595971      4.093128
  H     -11.739727      5.051316      2.351413
  H     -10.440290      1.129341      0.334035
  H      -8.489787     -0.460116      0.668538
  H      -6.789280      0.076197      2.400477
  N      -4.785159      2.623723      3.359471
  H      -4.479468      2.982239      2.444772
  H      -5.798704      2.406039      3.295335
101
Coordinates from ORCA-job orca E -6430.090348021323
  N      -2.963879      0.431884      4.660016
  Mo     -3.677038      2.294921      4.901780
  N      -4.939396      2.057948      6.373945
  C      -4.441939      1.899871      7.730174
  C      -3.059472      1.255706      7.705418
  N      -2.209225      1.934832      6.697401
  C      -1.134618      1.066647      6.172331
  C      -1.707328     -0.007488      5.242604
  C      -1.657114      3.225448      7.171975
  C      -1.661255      4.168941      5.971630
  N      -2.986043      4.143709      5.360873
  H      -0.947162     -0.226858      4.469501
  H      -1.862071     -0.957384      5.794034
  H      -0.443952      1.716708      5.616092
  H      -0.562828      0.612123      7.001482
  H      -1.391576      5.190158      6.288678
  H      -0.887448      3.849872      5.250622
  H      -2.311358      3.618914      7.961846
  H      -0.648868      3.081749      7.599205
  H      -5.125684      1.255749      8.313211
  H      -4.401819      2.874150      8.259679
  H      -3.151971      0.204144      7.402627
  H      -2.585352      1.290379      8.703000
  C      -3.851448     -0.666362      4.301147
  C      -3.333839     -1.543716      3.152559
  C      -3.218700     -0.809532      1.832275
  O      -4.569726     -0.562834      1.364525
  C      -4.698992     -0.081685      0.090383
  C      -5.448550     -0.819333     -0.820014
  C      -5.637307     -0.328175     -2.120630
  N      -5.136497      0.819857     -2.573651
  C      -4.409541      1.564428     -1.689547
  C      -3.888105      2.813245     -2.106820
  C      -3.207135      3.605830     -1.198700
  C      -3.040742      3.138918      0.116919
  N      -3.472070      1.955924      0.551393
  C      -4.159857      1.172420     -0.327306
  C      -3.819376      5.299935      5.708552
  C      -4.900859      5.604437      4.676208
  C      -4.282232      6.036403      3.348350
  O      -4.971313      5.494050      2.204601
  C      -6.219914      5.914255      1.931123
  C      -6.826794      7.052495      2.441796
  C      -8.112896      7.405086      1.980830
  N      -8.812699      6.740386      1.075244
  C      -8.245678      5.592013      0.594708
  C      -8.954138      4.807065     -0.347366
  C      -8.408883      3.618174     -0.780068
  C      -7.159155      3.208912     -0.263382
  N      -6.449019      3.918475      0.599970
  C      -6.967192      5.105575      1.011467
  C      -6.381116      2.053128      6.203962
  C      -7.104620      3.273373      6.807830
  C      -8.364135      3.598141      6.024431
  O      -7.978108      4.042498      4.702461
  C      -8.922867      3.777874      3.734492
  C      -9.986450      4.644739      3.521679
  C     -10.939049      4.328259      2.542057
  N     -10.899447      3.235094      1.780361
  C      -9.838918      2.394043      1.951413
  C      -9.716902      1.251586      1.122991
  C      -8.629053      0.403732      1.288421
  C      -7.661386      0.714027      2.253275
  N      -7.720763      1.788377      3.050856
  C      -8.797849      2.618270      2.919099
  H      -4.006892     -1.305913      5.195776
  H      -4.833839     -0.256609      4.025628
  H      -2.344933     -1.954182      3.412674
  H      -4.011124     -2.403834      3.028445
  H      -2.697541     -1.429125      1.083038
  H      -2.688440      0.148144      1.941747
  H      -5.883552     -1.771507     -0.513306
  H      -6.224155     -0.916167     -2.834212
  H      -4.063872      3.127422     -3.136724
  H      -2.819302      4.582242     -1.492670
  H      -2.559250      3.766217      0.873940
  H      -3.159826      6.181424      5.814924
  H      -4.303076      5.154720      6.696690
  H      -5.585678      6.365210      5.076854
  H      -5.500226      4.700882      4.499132
  H      -3.278567      5.599104      3.265946
  H      -4.192037      7.131813      3.256710
  H      -6.326832      7.687674      3.171638
  H      -8.580392      8.309992      2.384989
  H      -9.932897      5.153696     -0.680927
  H      -8.941996      2.970383     -1.476979
  H      -6.734123      2.246758     -0.561268
  H      -6.791551      1.126667      6.654023
  H      -6.620209      2.014403      5.129760
  H      -6.434437      4.146475      6.806465
  H      -7.392053      3.088486      7.855780
  H      -8.952893      4.392766      6.514994
  H      -9.006122      2.704856      5.935670
  H     -10.060565      5.570135      4.093999
  H     -11.776266      5.011462      2.368365
  H     -10.470190      1.090674      0.350626
  H      -8.495938     -0.477879      0.659700
  H      -6.778452      0.078562      2.367071
  N      -4.795810      2.588841      3.368032
  H      -4.479588      2.906533      2.440457
  H      -5.815863      2.385785      3.308847
101
Coordinates from ORCA-job orca E -6430.092713926375
  N      -2.975497      0.422831      4.664860
  Mo     -3.699261      2.278958      4.908315
  N      -4.954196      2.075712      6.396063
  C      -4.453914      1.930894      7.752650
  C      -3.080501      1.267011      7.729364
  N      -2.225767      1.923549      6.711923
  C      -1.159370      1.040934      6.194104
  C      -1.738742     -0.034180      5.274306
  C      -1.661096      3.216845      7.162412
  C      -1.643534      4.132506      5.941690
  N      -2.966124      4.121352      5.326780
  H      -0.971093     -0.283009      4.517552
  H      -1.922491     -0.973008      5.836991
  H      -0.461291      1.679039      5.633386
  H      -0.590945      0.587198      7.026455
  H      -1.353271      5.155037      6.236191
  H      -0.875168      3.783338      5.228756
  H      -2.315732      3.635176      7.939204
  H      -0.657694      3.070578      7.601286
  H      -5.143238      1.304132      8.347821
  H      -4.398235      2.910906      8.270459
  H      -3.190002      0.214245      7.435647
  H      -2.601938      1.302430      8.725131
  C      -3.865501     -0.665126      4.276556
  C      -3.335767     -1.530662      3.125463
  C      -3.211416     -0.782418      1.813611
  O      -4.561364     -0.534372      1.339973
  C      -4.685176     -0.036653      0.071132
  C      -5.437459     -0.764197     -0.845839
  C      -5.613226     -0.269488     -2.147033
  N      -5.093433      0.873076     -2.595195
  C      -4.365475      1.608394     -1.704143
  C      -3.821465      2.848961     -2.119027
  C      -3.139493      3.635150     -1.205324
  C      -3.000045      3.172721      0.114918
  N      -3.453164      1.996900      0.547885
  C      -4.134321      1.214863     -0.338377
  C      -3.787122      5.285425      5.676978
  C      -4.874728      5.599113      4.653251
  C      -4.267743      6.013746      3.314341
  O      -4.964900      5.458656      2.181048
  C      -6.217300      5.877076      1.918950
  C      -6.820955      7.012594      2.440453
  C      -8.112421      7.366970      1.995418
  N      -8.822706      6.702991      1.097018
  C      -8.258901      5.557593      0.605265
  C      -8.980652      4.775197     -0.328476
  C      -8.438138      3.591426     -0.778359
  C      -7.175495      3.187022     -0.289153
  N      -6.453238      3.893679      0.566943
  C      -6.971412      5.073495      1.000443
  C      -6.398018      2.085521      6.232532
  C      -7.102842      3.326918      6.813126
  C      -8.370507      3.642286      6.040416
  O      -7.994605      4.053529      4.705376
  C      -8.946229      3.769043      3.750641
  C     -10.026328      4.618554      3.544988
  C     -10.983345      4.283722      2.576222
  N     -10.933074      3.187096      1.817783
  C      -9.857370      2.364243      1.981884
  C      -9.724532      1.220302      1.156927
  C      -8.619729      0.392222      1.312940
  C      -7.647906      0.720921      2.267381
  N      -7.719280      1.796395      3.063818
  C      -8.810311      2.608981      2.939778
  H      -4.042177     -1.312564      5.161126
  H      -4.840520     -0.246627      3.988363
  H      -2.350766     -1.948082      3.390168
  H      -4.013191     -2.388650      2.986000
  H      -2.686278     -1.394744      1.061094
  H      -2.683221      0.174780      1.933845
  H      -5.881276     -1.713787     -0.542819
  H      -6.202046     -0.849850     -2.865350
  H      -3.979627      3.160983     -3.152628
  H      -2.731894      4.602783     -1.502790
  H      -2.523238      3.797667      0.876884
  H      -3.116199      6.159578      5.772648
  H      -4.264119      5.152545      6.670429
  H      -5.544842      6.369369      5.061212
  H      -5.488768      4.703278      4.489360
  H      -3.264373      5.575193      3.232904
  H      -4.178225      7.107675      3.205491
  H      -6.315068      7.645439      3.168396
  H      -8.574681      8.271234      2.407347
  H      -9.966699      5.120241     -0.642215
  H      -8.980968      2.945339     -1.469816
  H      -6.750695      2.230591     -0.605353
  H      -6.820149      1.174005      6.701406
  H      -6.642348      2.025784      5.159476
  H      -6.426300      4.194501      6.771969
  H      -7.369532      3.175928      7.872027
  H      -8.947398      4.452434      6.519801
  H      -9.020072      2.752199      5.977395
  H     -10.108151      5.544913      4.115310
  H     -11.832970      4.953054      2.407767
  H     -10.484415      1.042535      0.394525
  H      -8.477554     -0.488641      0.684755
  H      -6.752426      0.102189      2.374617
  N      -4.815837      2.564348      3.375219
  H      -4.485045      2.840670      2.438658
  H      -5.841943      2.386967      3.320759
101
Coordinates from ORCA-job orca E -6430.095117616992
  N      -2.957807      0.415083      4.682121
  Mo     -3.706457      2.255171      4.917936
  N      -4.963333      2.085958      6.411827
  C      -4.466177      1.958443      7.772022
  C      -3.098052      1.280813      7.760556
  N      -2.234727      1.914760      6.737468
  C      -1.168696      1.021231      6.237415
  C      -1.744744     -0.057636      5.324579
  C      -1.663929      3.212415      7.164489
  C      -1.619471      4.095652      5.921321
  N      -2.934601      4.089848      5.293447
  H      -0.966375     -0.333764      4.588803
  H      -1.959308     -0.984410      5.897107
  H      -0.462395      1.648743      5.675745
  H      -0.608253      0.571715      7.077588
  H      -1.315645      5.120811      6.192236
  H      -0.851684      3.718368      5.222392
  H      -2.325817      3.656373      7.920578
  H      -0.668519      3.068812      7.622651
  H      -5.161584      1.347679      8.376284
  H      -4.402111      2.945170      8.275563
  H      -3.219575      0.225970      7.478718
  H      -2.621759      1.321410      8.757246
  C      -3.849051     -0.663087      4.264985
  C      -3.308346     -1.512048      3.107495
  C      -3.190377     -0.746259      1.805015
  O      -4.544645     -0.503843      1.339414
  C      -4.678334      0.006740      0.076276
  C      -5.441621     -0.713949     -0.837338
  C      -5.620478     -0.217796     -2.137360
  N      -5.089775      0.919189     -2.588540
  C      -4.352744      1.648412     -1.700515
  C      -3.792084      2.879380     -2.121692
  C      -3.097516      3.660341     -1.212536
  C      -2.968859      3.205610      0.111199
  N      -3.439560      2.038946      0.550551
  C      -4.123820      1.256320     -0.333352
  C      -3.752571      5.255264      5.643259
  C      -4.845122      5.575084      4.626559
  C      -4.251900      5.982738      3.279766
  O      -4.959908      5.423211      2.155728
  C      -6.215066      5.842803      1.907259
  C      -6.813711      6.973910      2.444070
  C      -8.110011      7.332551      2.016934
  N      -8.831365      6.673839      1.123628
  C      -8.272668      5.532996      0.616424
  C      -9.008754      4.757778     -0.311494
  C      -8.470907      3.580535     -0.782554
  C      -7.196668      3.177775     -0.321983
  N      -6.461479      3.876633      0.529225
  C      -6.977421      5.048249      0.987950
  C      -6.408510      2.106666      6.248804
  C      -7.099006      3.368112      6.800896
  C      -8.372932      3.675398      6.035769
  O      -8.009023      4.054018      4.688091
  C      -8.972222      3.758720      3.748602
  C     -10.066400      4.595035      3.559880
  C     -11.032043      4.251107      2.603679
  N     -10.977823      3.156190      1.841264
  C      -9.890313      2.347129      1.988945
  C      -9.754755      1.206174      1.160270
  C      -8.636293      0.393844      1.296619
  C      -7.655214      0.731915      2.238064
  N      -7.730996      1.803167      3.040528
  C      -8.832696      2.602707      2.933876
  H      -4.042447     -1.320634      5.137697
  H      -4.817777     -0.237499      3.967175
  H      -2.323051     -1.930195      3.369176
  H      -3.982500     -2.370496      2.955216
  H      -2.664557     -1.346403      1.043371
  H      -2.668560      0.213157      1.934148
  H      -5.888334     -1.661157     -0.531335
  H      -6.218067     -0.791990     -2.852959
  H      -3.945030      3.186862     -3.157315
  H      -2.672644      4.617620     -1.519612
  H      -2.485626      3.828503      0.870454
  H      -3.076907      6.126434      5.731675
  H      -4.225933      5.129995      6.639791
  H      -5.503509      6.350775      5.043483
  H      -5.469198      4.685262      4.470658
  H      -3.248405      5.545713      3.192553
  H      -4.166251      7.076218      3.163422
  H      -6.301280      7.601046      3.172156
  H      -8.566662      8.234417      2.439646
  H     -10.000897      5.103818     -0.603965
  H      -9.023874      2.939668     -1.470789
  H      -6.773698      2.228088     -0.659684
  H      -6.841222      1.211185      6.737921
  H      -6.653289      2.023370      5.176537
  H      -6.416875      4.228844      6.721587
  H      -7.348454      3.251067      7.867966
  H      -8.936086      4.501151      6.504742
  H      -9.031372      2.790389      5.998423
  H     -10.150815      5.518585      4.134449
  H     -11.892451      4.909227      2.447617
  H     -10.524606      1.018386      0.410459
  H      -8.491867     -0.482518      0.662753
  H      -6.749144      0.127046      2.330776
  N      -4.812849      2.523961      3.376965
  H      -4.459032      2.762294      2.437050
  H      -5.841929      2.365315      3.317895
101
Coordinates from ORCA-job orca E -6430.097358137445
  N      -2.945144      0.410318      4.702635
  Mo     -3.717225      2.230433      4.932617
  N      -4.976921      2.096271      6.428445
  C      -4.481294      1.983836      7.791908
  C      -3.118495      1.293494      7.792702
  N      -2.246176      1.904482      6.764436
  C      -1.181404      0.999028      6.284427
  C      -1.756776     -0.081632      5.375657
  C      -1.667145      3.204925      7.169143
  C      -1.594146      4.054192      5.903312
  N      -2.900805      4.053223      5.260768
  H      -0.970414     -0.382547      4.658901
  H      -2.003333     -0.996446      5.954384
  H      -0.466733      1.615475      5.722080
  H      -0.630772      0.553191      7.132889
  H      -1.276529      5.081467      6.149478
  H      -0.827623      3.647314      5.220438
  H      -2.336134      3.676364      7.901871
  H      -0.680956      3.063168      7.647441
  H      -5.182420      1.388347      8.404458
  H      -4.409210      2.976915      8.280461
  H      -3.252298      0.236695      7.523507
  H      -2.645235      1.339997      8.790452
  C      -3.838383     -0.656066      4.252933
  C      -3.284591     -1.485329      3.086854
  C      -3.172334     -0.701448      1.794240
  O      -4.529115     -0.471098      1.330626
  C      -4.669595      0.044972      0.070272
  C      -5.432040     -0.677392     -0.842771
  C      -5.608137     -0.184745     -2.144049
  N      -5.072304      0.948492     -2.598338
  C      -4.337418      1.679823     -1.710960
  C      -3.766388      2.903531     -2.137524
  C      -3.070443      3.685770     -1.230499
  C      -2.957350      3.242826      0.098406
  N      -3.440905      2.084008      0.543767
  C      -4.117399      1.294891     -0.340044
  C      -3.714030      5.223024      5.606286
  C      -4.812984      5.548920      4.598814
  C      -4.235010      5.946541      3.243141
  O      -4.961335      5.385835      2.132703
  C      -6.217337      5.809714      1.898303
  C      -6.810032      6.936838      2.449379
  C      -8.110197      7.299512      2.038087
  N      -8.840758      6.647900      1.147490
  C      -8.287294      5.511688      0.625340
  C      -9.034084      4.744344     -0.300444
  C      -8.500271      3.572951     -0.789384
  C      -7.218173      3.169905     -0.350420
  N      -6.473673      3.860743      0.498294
  C      -6.987439      5.024807      0.977639
  C      -6.422902      2.130336      6.268142
  C      -7.096766      3.409868      6.797357
  C      -8.376156      3.710947      6.039759
  O      -8.021801      4.056389      4.681212
  C      -8.994659      3.752154      3.755280
  C     -10.102705      4.573044      3.581966
  C     -11.074134      4.218199      2.636139
  N     -11.012723      3.126551      1.869155
  C      -9.913249      2.332902      2.002138
  C      -9.771100      1.195978      1.168986
  C      -8.639425      0.401448      1.288608
  C      -7.653033      0.749397      2.221396
  N      -7.736057      1.814996      3.029814
  C      -8.848412      2.599846      2.936309
  H      -4.047200     -1.326925      5.110985
  H      -4.800337     -0.222218      3.946716
  H      -2.297868     -1.900239      3.346654
  H      -3.953199     -2.345184      2.918970
  H      -2.639883     -1.286916      1.026011
  H      -2.660871      0.261976      1.934924
  H      -5.876958     -1.624483     -0.534511
  H      -6.205408     -0.758773     -2.859623
  H      -3.910150      3.203467     -3.176470
  H      -2.632946      4.635154     -1.544169
  H      -2.475740      3.867937      0.856393
  H      -3.033596      6.091725      5.683700
  H      -4.182485      5.107730      6.606620
  H      -5.455336      6.334266      5.022759
  H      -5.449960      4.666991      4.452689
  H      -3.234176      5.506329      3.144453
  H      -4.148533      7.039426      3.121326
  H      -6.291611      7.557456      3.178456
  H      -8.562473      8.198475      2.470930
  H     -10.030144      5.092290     -0.576399
  H      -9.060719      2.937664     -1.476437
  H      -6.796122      2.226152     -0.705618
  H      -6.864983      1.250083      6.775887
  H      -6.669261      2.029461      5.197504
  H      -6.408613      4.262151      6.684549
  H      -7.331381      3.322881      7.870258
  H      -8.925566      4.551167      6.499118
  H      -9.042988      2.831526      6.027329
  H     -10.192652      5.493507      4.160385
  H     -11.945984      4.863053      2.490548
  H     -10.547738      0.997429      0.429179
  H      -8.490568     -0.469886      0.649062
  H      -6.737055      0.158880      2.303092
  N      -4.818513      2.483983      3.381705
  H      -4.440717      2.685315      2.440981
  H      -5.848137      2.344247      3.317086
101
Coordinates from ORCA-job orca E -6430.099298886260
  N      -2.927620      0.401821      4.724539
  Mo     -3.721201      2.205181      4.952644
  N      -4.985444      2.099815      6.445751
  C      -4.494152      2.001612      7.812726
  C      -3.135457      1.304515      7.827495
  N      -2.255297      1.897202      6.796047
  C      -1.190412      0.981835      6.336757
  C      -1.763219     -0.102369      5.431010
  C      -1.674286      3.202905      7.180591
  C      -1.574316      4.019497      5.893999
  N      -2.871805      4.020631      5.232543
  H      -0.967663     -0.425738      4.734799
  H      -2.039557     -1.004600      6.015638
  H      -0.468183      1.588874      5.774346
  H      -0.650001      0.541592      7.194545
  H      -1.246406      5.048954      6.117062
  H      -0.805921      3.585391      5.231067
  H      -2.353369      3.697640      7.888284
  H      -0.698197      3.066639      7.680822
  H      -5.200306      1.417717      8.430779
  H      -4.418809      3.000711      8.287534
  H      -3.275456      0.245529      7.569491
  H      -2.667121      1.358567      8.827256
  C      -3.812896     -0.660593      4.242757
  C      -3.242152     -1.464826      3.066973
  C      -3.147013     -0.662035      1.784536
  O      -4.509615     -0.453101      1.328716
  C      -4.668625      0.068377      0.073220
  C      -5.434581     -0.656714     -0.834919
  C      -5.622876     -0.163486     -2.133923
  N      -5.093343      0.970851     -2.592019
  C      -4.355453      1.704896     -1.709174
  C      -3.785259      2.926463     -2.141509
  C      -3.082343      3.709384     -1.240708
  C      -2.967013      3.272410      0.090067
  N      -3.452851      2.116961      0.541975
  C      -4.128451      1.322962     -0.338454
  C      -3.682378      5.194733      5.573515
  C      -4.788972      5.522065      4.574613
  C      -4.223015      5.911682      3.211355
  O      -4.966186      5.354621      2.110852
  C      -6.218894      5.791015      1.886330
  C      -6.800540      6.917333      2.450582
  C      -8.101344      7.291220      2.051279
  N      -8.842583      6.651819      1.160711
  C      -8.299120      5.517291      0.624188
  C      -9.056725      4.761194     -0.302691
  C      -8.531365      3.592704     -0.807556
  C      -7.245748      3.182059     -0.385425
  N      -6.492819      3.861779      0.464259
  C      -6.999368      5.020931      0.961463
  C      -6.431144      2.146125      6.282444
  C      -7.090599      3.441424      6.790415
  C      -8.374524      3.734956      6.037358
  O      -8.024367      4.046455      4.669890
  C      -9.003262      3.737795      3.752545
  C     -10.119373      4.549045      3.588937
  C     -11.092882      4.189006      2.647094
  N     -11.026285      3.101329      1.875305
  C      -9.920058      2.316129      2.000077
  C      -9.773096      1.182420      1.162752
  C      -8.634393      0.397707      1.273450
  C      -7.647068      0.749246      2.204627
  N      -7.735325      1.810157      3.017838
  C      -8.852759      2.587874      2.929772
  H      -4.028804     -1.347505      5.085844
  H      -4.772388     -0.225437      3.932102
  H      -2.248381     -1.865441      3.321954
  H      -3.896244     -2.333237      2.886134
  H      -2.605189     -1.226805      1.007408
  H      -2.653735      0.309077      1.936589
  H      -5.870763     -1.607197     -0.524578
  H      -6.223937     -0.738632     -2.845601
  H      -3.932845      3.223319     -3.180863
  H      -2.640847      4.655095     -1.559836
  H      -2.479745      3.899086      0.843019
  H      -2.999776      6.063027      5.640073
  H      -4.144041      5.088090      6.578083
  H      -5.417634      6.316042      5.003121
  H      -5.436998      4.646164      4.437005
  H      -3.225810      5.466023      3.101984
  H      -4.132336      7.004076      3.086879
  H      -6.274113      7.527494      3.182766
  H      -8.545327      8.189281      2.494735
  H     -10.053910      5.115719     -0.566294
  H      -9.100276      2.965715     -1.495312
  H      -6.827482      2.241997     -0.755628
  H      -6.882868      1.278853      6.803979
  H      -6.675347      2.032532      5.213166
  H      -6.397492      4.285638      6.650130
  H      -7.314649      3.381856      7.867436
  H      -8.913804      4.588422      6.484064
  H      -9.048068      2.860603      6.048367
  H     -10.213862      5.467005      4.170571
  H     -11.971321      4.826474      2.508050
  H     -10.552462      0.978908      0.427080
  H      -8.481910     -0.469829      0.629521
  H      -6.726093      0.165614      2.280987
  N      -4.818034      2.441479      3.393163
  H      -4.422771      2.608463      2.452094
  H      -5.849086      2.320065      3.324422
101
Coordinates from ORCA-job orca E -6430.101059576594
  N      -2.923248      0.392265      4.740827
  Mo     -3.727952      2.185719      4.975310
  N      -4.994435      2.106635      6.465706
  C      -4.507335      2.020113      7.835306
  C      -3.154159      1.315672      7.860835
  N      -2.268210      1.890270      6.824729
  C      -1.207914      0.961563      6.383190
  C      -1.784554     -0.124433      5.481947
  C      -1.683274      3.200318      7.189436
  C      -1.557048      3.986353      5.884956
  N      -2.846429      3.993882      5.205730
  H      -0.982103     -0.473853      4.806826
  H      -2.093014     -1.011150      6.073691
  H      -0.476818      1.556136      5.819390
  H      -0.678324      0.525080      7.249378
  H      -1.215400      5.015834      6.086648
  H      -0.789133      3.523692      5.242058
  H      -2.370680      3.716975      7.872961
  H      -0.717337      3.067895      7.709896
  H      -5.218446      1.447393      8.458340
  H      -4.427748      3.024477      8.297506
  H      -3.300629      0.254982      7.613196
  H      -2.688555      1.376361      8.861558
  C      -3.795390     -0.668653      4.225641
  C      -3.203458     -1.447925      3.043298
  C      -3.124361     -0.629532      1.769718
  O      -4.490340     -0.446643      1.313470
  C      -4.661308      0.077760      0.061539
  C      -5.424281     -0.650988     -0.846075
  C      -5.618747     -0.156382     -2.143364
  N      -5.096464      0.980666     -2.601325
  C      -4.361411      1.718197     -1.718627
  C      -3.794245      2.940307     -2.151963
  C      -3.091163      3.724157     -1.252754
  C      -2.976836      3.290363      0.079124
  N      -3.463272      2.136115      0.533662
  C      -4.133346      1.338277     -0.347920
  C      -3.648359      5.176548      5.543104
  C      -4.764323      5.504631      4.554853
  C      -4.212785      5.881973      3.181844
  O      -4.977213      5.328366      2.094457
  C      -6.226490      5.778107      1.881172
  C      -6.796908      6.904111      2.457536
  C      -8.099509      7.286527      2.072294
  N      -8.853169      6.656767      1.185453
  C      -8.319639      5.524007      0.635068
  C      -9.087439      4.777152     -0.291555
  C      -8.568544      3.613174     -0.813418
  C      -7.279170      3.196828     -0.409138
  N      -6.518688      3.867728      0.440372
  C      -7.019043      5.021036      0.954981
  C      -6.439428      2.167446      6.299541
  C      -7.082575      3.478852      6.785996
  C      -8.370560      3.765932      6.035896
  O      -8.024267      4.043621      4.660153
  C      -9.007118      3.727513      3.750350
  C     -10.134579      4.524078      3.597279
  C     -11.108453      4.155240      2.658751
  N     -11.033017      3.072410      1.882376
  C      -9.916832      2.299875      1.998683
  C      -9.762786      1.167864      1.159770
  C      -8.614783      0.396200      1.262591
  C      -7.627110      0.756424      2.190647
  N      -7.723166      1.814182      3.005984
  C      -8.848188      2.581226      2.922599
  H      -4.016927     -1.372233      5.053065
  H      -4.753020     -0.234169      3.909978
  H      -2.201488     -1.828660      3.296409
  H      -3.837919     -2.328250      2.850858
  H      -2.567487     -1.172211      0.987617
  H      -2.653640      0.350546      1.933836
  H      -5.851764     -1.605948     -0.537712
  H      -6.218538     -0.733788     -2.854378
  H      -3.942551      3.236257     -3.191450
  H      -2.648160      4.669031     -1.571640
  H      -2.488105      3.919208      0.829019
  H      -2.961194      6.042513      5.595685
  H      -4.099603      5.081550      6.553523
  H      -5.377003      6.309674      4.985763
  H      -5.424745      4.636178      4.429779
  H      -3.221282      5.427219      3.059482
  H      -4.114538      6.973143      3.052406
  H      -6.261450      7.505300      3.190389
  H      -8.535030      8.183500      2.526303
  H     -10.086178      5.136192     -0.542941
  H      -9.144334      2.994886     -1.503110
  H      -6.862360      2.262148     -0.794701
  H      -6.901892      1.313759      6.834034
  H      -6.682188      2.042589      5.232605
  H      -6.383733      4.313440      6.620526
  H      -7.297793      3.446448      7.865996
  H      -8.900752      4.632294      6.468075
  H      -9.050495      2.897178      6.070147
  H     -10.239074      5.437935      4.183406
  H     -11.995986      4.781848      2.527969
  H     -10.545784      0.954375      0.430844
  H      -8.456617     -0.469156      0.617295
  H      -6.700616      0.180262      2.263422
  N      -4.825739      2.410533      3.410068
  H      -4.421331      2.551765      2.467878
  H      -5.858377      2.306549      3.339925
101
Coordinates from ORCA-job orca E -6430.102701845328
  N      -2.912575      0.379241      4.756777
  Mo     -3.726923      2.166904      4.999828
  N      -5.000051      2.106873      6.483099
  C      -4.521539      2.031359      7.856832
  C      -3.171381      1.324648      7.894899
  N      -2.280404      1.884948      6.855157
  C      -1.222656      0.944680      6.431376
  C      -1.800590     -0.144545      5.535466
  C      -1.695960      3.200484      7.202640
  C      -1.543620      3.959968      5.884499
  N      -2.823308      3.971827      5.183989
  H      -0.990501     -0.520444      4.884095
  H      -2.140394     -1.014005      6.135517
  H      -0.482514      1.527344      5.867117
  H      -0.704729      0.512492      7.306635
  H      -1.190681      4.988899      6.069430
  H      -0.774006      3.472561      5.262887
  H      -2.394107      3.734002      7.861937
  H      -0.740650      3.074138      7.744006
  H      -5.237435      1.466438      8.481766
  H      -4.442514      3.040516      8.308381
  H      -3.319571      0.261862      7.657005
  H      -2.709570      1.393374      8.897027
  C      -3.764205     -0.685609      4.210980
  C      -3.149109     -1.435202      3.021446
  C      -3.094442     -0.598447      1.758670
  O      -4.466258     -0.442268      1.309841
  C      -4.660117      0.087066      0.064217
  C      -5.432055     -0.641743     -0.835274
  C      -5.649532     -0.141066     -2.126833
  N      -5.141108      1.000638     -2.587252
  C      -4.396605      1.738310     -1.711955
  C      -3.839509      2.963469     -2.149363
  C      -3.124616      3.744977     -1.258166
  C      -2.992235      3.308583      0.071491
  N      -3.471211      2.152901      0.530549
  C      -4.147742      1.354498     -0.346262
  C      -3.619164      5.161993      5.514567
  C      -4.741635      5.485882      4.531750
  C      -4.199667      5.852498      3.151343
  O      -4.980073      5.303296      2.072817
  C      -6.224268      5.767543      1.866852
  C      -6.783117      6.893371      2.455227
  C      -8.086268      7.286458      2.082309
  N      -8.851507      6.668565      1.197067
  C      -8.328283      5.537956      0.631810
  C      -9.106446      4.802726     -0.295805
  C      -8.596236      3.642476     -0.834400
  C      -7.304453      3.217591     -0.447380
  N      -6.535818      3.877165      0.404053
  C      -7.028044      5.025659      0.936272
  C      -6.444400      2.179976      6.310721
  C      -7.073960      3.504840      6.778431
  C      -8.365710      3.786630      6.031438
  O      -8.022843      4.030683      4.648681
  C      -9.009864      3.710798      3.746126
  C     -10.144322      4.497837      3.599735
  C     -11.117251      4.124379      2.660888
  N     -11.034842      3.046660      1.879263
  C      -9.912454      2.281584      1.991417
  C      -9.751324      1.152756      1.149050
  C      -8.597703      0.389159      1.248636
  C      -7.613082      0.752386      2.179573
  N      -7.716694      1.806530      2.997655
  C      -8.845739      2.567424      2.914587
  H      -3.985602     -1.407257      5.022568
  H      -4.722947     -0.256853      3.892179
  H      -2.136127     -1.789769      3.269184
  H      -3.758631     -2.330820      2.818609
  H      -2.525324     -1.114217      0.967232
  H      -2.648663      0.390595      1.936429
  H      -5.848246     -1.601792     -0.527002
  H      -6.257565     -0.718598     -2.831012
  H      -4.003428      3.262991     -3.185612
  H      -2.685333      4.691252     -1.578210
  H      -2.491452      3.937703      0.813341
  H      -2.929431      6.026937      5.554512
  H      -4.062633      5.078999      6.529541
  H      -5.343756      6.299952      4.960987
  H      -5.410229      4.622150      4.416389
  H      -3.213228      5.389363      3.020180
  H      -4.094283      6.942644      3.018030
  H      -6.238925      7.484051      3.190314
  H      -8.512615      8.182366      2.547429
  H     -10.105965      5.167767     -0.535756
  H      -9.180402      3.033942     -1.525943
  H      -6.891787      2.287128     -0.847907
  H      -6.917493      1.337844      6.854200
  H      -6.683848      2.046969      5.244691
  H      -6.370018      4.330253      6.591008
  H      -7.281679      3.496244      7.860454
  H      -8.887258      4.665429      6.448525
  H      -9.051580      2.923719      6.087754
  H     -10.256316      5.408970      4.188709
  H     -12.009961      4.745076      2.535400
  H     -10.534272      0.934917      0.421237
  H      -8.433370     -0.473367      0.601024
  H      -6.683976      0.179500      2.252280
  N      -4.822950      2.380716      3.427048
  H      -4.413451      2.508653      2.485827
  H      -5.856876      2.289670      3.353078
101
Coordinates from ORCA-job orca E -6430.104280755639
  N      -2.918065      0.362740      4.771168
  Mo     -3.731779      2.151050      5.029735
  N      -5.009904      2.112216      6.506979
  C      -4.538672      2.048146      7.884283
  C      -3.193010      1.335191      7.931910
  N      -2.298656      1.876411      6.884460
  C      -1.249385      0.919312      6.475506
  C      -1.835698     -0.170620      5.587266
  C      -1.707565      3.194412      7.212438
  C      -1.529690      3.928372      5.882774
  N      -2.800662      3.950165      5.163903
  H      -1.021456     -0.577843      4.960204
  H      -2.209556     -1.019707      6.196332
  H      -0.498426      1.485961      5.909508
  H      -0.743592      0.488900      7.358596
  H      -1.160175      4.954049      6.052963
  H      -0.762597      3.414953      5.279504
  H      -2.411789      3.745811      7.850164
  H      -0.761767      3.070354      7.770920
  H      -5.259705      1.493715      8.512684
  H      -4.456678      3.062091      8.324193
  H      -3.346859      0.270585      7.706181
  H      -2.730767      1.412202      8.933249
  C      -3.744605     -0.704236      4.188705
  C      -3.098788     -1.418126      2.994083
  C      -3.064152     -0.560733      1.744740
  O      -4.437879     -0.440798      1.288927
  C      -4.643193      0.088301      0.046299
  C      -5.405779     -0.649560     -0.852773
  C      -5.632211     -0.149374     -2.143510
  N      -5.140738      0.999073     -2.603280
  C      -4.405063      1.745843     -1.727880
  C      -3.864054      2.978068     -2.165119
  C      -3.157788      3.766276     -1.274066
  C      -3.020370      3.330926      0.056007
  N      -3.486145      2.170871      0.515259
  C      -4.151227      1.364789     -0.363098
  C      -3.583209      5.152220      5.486212
  C      -4.712600      5.473756      4.510892
  C      -4.183510      5.824309      3.121283
  O      -4.984452      5.277313      2.056466
  C      -6.224623      5.754975      1.861517
  C      -6.769523      6.883211      2.458718
  C      -8.074961      7.284519      2.103144
  N      -8.855506      6.674066      1.226536
  C      -8.344984      5.543632      0.649331
  C      -9.136810      4.817928     -0.273947
  C      -8.637519      3.660161     -0.827504
  C      -7.343452      3.226637     -0.459359
  N      -6.562588      3.877292      0.388182
  C      -7.043776      5.023418      0.934768
  C      -6.453308      2.201069      6.329337
  C      -7.064613      3.543250      6.770935
  C      -8.357444      3.823633      6.023745
  O      -8.018823      4.029657      4.633535
  C      -9.011147      3.702744      3.741002
  C     -10.156983      4.474525      3.606387
  C     -11.132455      4.090188      2.673443
  N     -11.043185      3.016492      1.888469
  C      -9.910008      2.265242      1.990164
  C      -9.742769      1.138067      1.146713
  C      -8.578499      0.389870      1.235277
  C      -7.591364      0.764269      2.159822
  N      -7.702713      1.815283      2.979682
  C      -8.840625      2.563321      2.904541
  H      -3.967211     -1.446508      4.980771
  H      -4.703779     -0.282109      3.863416
  H      -2.075563     -1.741940      3.241705
  H      -3.676839     -2.330773      2.775273
  H      -2.473663     -1.043731      0.948520
  H      -2.651408      0.438768      1.941701
  H      -5.806755     -1.616923     -0.547612
  H      -6.233402     -0.734798     -2.847001
  H      -4.032781      3.277090     -3.200688
  H      -2.728196      4.717995     -1.590889
  H      -2.524265      3.966701      0.795135
  H      -2.886680      6.012561      5.510145
  H      -4.017351      5.085927      6.506510
  H      -5.301509      6.299190      4.937003
  H      -5.390904      4.616198      4.409461
  H      -3.204090      5.349634      2.980106
  H      -4.068962      6.912479      2.979967
  H      -6.213284      7.467447      3.189698
  H      -8.489866      8.181208      2.576968
  H     -10.137142      5.188798     -0.501121
  H      -9.231654      3.061192     -1.518805
  H      -6.937461      2.299120     -0.872856
  H      -6.939691      1.375083      6.885479
  H      -6.690559      2.055030      5.265151
  H      -6.351714      4.354899      6.559884
  H      -7.266526      3.562870      7.853846
  H      -8.866611      4.718055      6.421993
  H      -9.052792      2.970356      6.104062
  H     -10.278548      5.382478      4.198192
  H     -12.033974      4.700101      2.558469
  H     -10.530913      0.908440      0.428259
  H      -8.408130     -0.470231      0.586246
  H      -6.655694      0.200387      2.225985
  N      -4.831606      2.360047      3.451716
  H      -4.423397      2.479741      2.509469
  H      -5.866391      2.282002      3.377190
101
Coordinates from ORCA-job orca E -6430.105817301243
  N      -2.911104      0.342322      4.790577
  Mo     -3.727657      2.131612      5.062153
  N      -5.017673      2.108372      6.528122
  C      -4.557164      2.058216      7.910566
  C      -3.212263      1.344505      7.971525
  N      -2.314721      1.869109      6.917457
  C      -1.269266      0.899528      6.524674
  C      -1.857643     -0.193901      5.644379
  C      -1.720930      3.190236      7.228406
  C      -1.518408      3.902303      5.890686
  N      -2.778448      3.928798      5.150854
  H      -1.037819     -0.629398      5.043785
  H      -2.261315     -1.023445      6.261812
  H      -0.509075      1.453533      5.958636
  H      -0.775161      0.472857      7.416184
  H      -1.137343      4.925369      6.051483
  H      -0.750398      3.370089      5.304726
  H      -2.433227      3.754949      7.845271
  H      -0.784499      3.071471      7.803953
  H      -5.282711      1.511619      8.540491
  H      -4.477110      3.077185      8.339055
  H      -3.367447      0.277342      7.759491
  H      -2.750874      1.433212      8.972247
  C      -3.705940     -0.729736      4.173918
  C      -3.027932     -1.397271      2.970656
  C      -3.025809     -0.513244      1.739429
  O      -4.404314     -0.433752      1.286475
  C      -4.634833      0.096707      0.050225
  C      -5.403074     -0.647250     -0.837734
  C      -5.659969     -0.144400     -2.122642
  N      -5.193657      1.012023     -2.586314
  C      -4.451876      1.765188     -1.721407
  C      -3.936420      3.006662     -2.163701
  C      -3.224731      3.799667     -1.282511
  C      -3.057537      3.360457      0.043815
  N      -3.499001      2.193614      0.506229
  C      -4.167984      1.382139     -0.363768
  C      -3.553347      5.139259      5.459291
  C      -4.684584      5.453343      4.483976
  C      -4.161036      5.787932      3.088298
  O      -4.976722      5.244157      2.032495
  C      -6.211606      5.736637      1.844440
  C      -6.741974      6.867269      2.450585
  C      -8.047406      7.280814      2.109711
  N      -8.841321      6.681256      1.237866
  C      -8.343989      5.551750      0.647500
  C      -9.149161      4.840543     -0.274982
  C      -8.662896      3.685088     -0.844386
  C      -7.368673      3.239159     -0.492910
  N      -6.575520      3.875465      0.354697
  C      -7.043811      5.019320      0.917174
  C      -6.460121      2.209115      6.342353
  C      -7.056627      3.565895      6.759543
  C      -8.349309      3.847071      6.012050
  O      -8.013872      4.014784      4.616018
  C      -9.012408      3.687876      3.732753
  C     -10.163521      4.452778      3.606713
  C     -11.141033      4.065540      2.675849
  N     -11.049366      2.996558      1.885614
  C      -9.911238      2.251279      1.979867
  C      -9.740681      1.128399      1.131648
  C      -8.571476      0.387894      1.212501
  C      -7.584194      0.763337      2.137564
  N      -7.700260      1.809044      2.962020
  C      -8.841197      2.552065      2.891395
  H      -3.922031     -1.495228      4.944980
  H      -4.669321     -0.320573      3.844839
  H      -1.992170     -1.682325      3.213707
  H      -3.567028     -2.329055      2.733073
  H      -2.418666     -0.955070      0.932115
  H      -2.650352      0.496147      1.958893
  H      -5.785351     -1.621654     -0.531078
  H      -6.266146     -0.735645     -2.816922
  H      -4.128903      3.308211     -3.194379
  H      -2.812721      4.758793     -1.600522
  H      -2.554645      4.000919      0.774247
  H      -2.852894      5.997094      5.469944
  H      -3.984683      5.089821      6.482044
  H      -5.267032      6.287513      4.902340
  H      -5.367435      4.598350      4.392833
  H      -3.187984      5.301511      2.943183
  H      -4.036748      6.873993      2.939270
  H      -6.174813      7.442650      3.180078
  H      -8.450432      8.177936      2.592908
  H     -10.148670      5.220384     -0.490769
  H      -9.267608      3.098095     -1.536920
  H      -6.972581      2.313710     -0.920196
  H      -6.959077      1.397517      6.908101
  H      -6.692845      2.051131      5.278765
  H      -6.335112      4.364044      6.527455
  H      -7.253866      3.610307      7.842471
  H      -8.844166      4.757429      6.391446
  H      -9.055232      3.004997      6.114449
  H     -10.289475      5.358456      4.201049
  H     -12.046338      4.671311      2.568595
  H     -10.530820      0.895914      0.416295
  H      -8.397298     -0.468286      0.559307
  H      -6.645940      0.202997      2.200206
  N      -4.827003      2.332694      3.473895
  H      -4.420003      2.452243      2.532442
  H      -5.861129      2.260969      3.394865
101
Coordinates from ORCA-job orca E -6430.107228037405
  N      -2.907335      0.320925      4.813067
  Mo     -3.725802      2.110791      5.097186
  N      -5.028199      2.105715      6.552571
  C      -4.575534      2.072078      7.939110
  C      -3.231796      1.355674      8.013265
  N      -2.331551      1.860284      6.951059
  C      -1.291079      0.877889      6.573073
  C      -1.883079     -0.218923      5.701630
  C      -1.730876      3.182611      7.244321
  C      -1.505953      3.872312      5.898667
  N      -2.755724      3.903656      5.140418
  H      -1.059653     -0.682760      5.127262
  H      -2.315094     -1.029173      6.325898
  H      -0.522952      1.419899      6.006298
  H      -0.806516      0.455080      7.471740
  H      -1.112871      4.892342      6.051284
  H      -0.738137      3.323745      5.327238
  H      -2.447792      3.761704      7.842474
  H      -0.802518      3.068163      7.834130
  H      -5.305171      1.535258      8.572568
  H      -4.494798      3.096281      8.354690
  H      -3.390882      0.285909      7.817689
  H      -2.769276      1.457905      9.012058
  C      -3.669697     -0.752093      4.159319
  C      -2.957417     -1.369500      2.948778
  C      -2.986509     -0.460029      1.736353
  O      -4.366207     -0.429388      1.276956
  C      -4.616556      0.099502      0.045507
  C      -5.380349     -0.656554     -0.835140
  C      -5.660731     -0.156578     -2.117122
  N      -5.221883      1.008475     -2.584030
  C      -4.484811      1.774111     -1.726018
  C      -3.999377      3.026688     -2.171702
  C      -3.294263      3.831348     -1.297128
  C      -3.103247      3.392225      0.026992
  N      -3.516063      2.217275      0.490685
  C      -4.178938      1.394521     -0.372812
  C      -3.522245      5.122554      5.433288
  C      -4.655967      5.430560      4.459138
  C      -4.140670      5.747233      3.056400
  O      -4.974508      5.208127      2.011789
  C      -6.203413      5.718280      1.832693
  C      -6.714380      6.854554      2.445236
  C      -8.018668      7.283915      2.120269
  N      -8.828537      6.695720      1.255307
  C      -8.348690      5.564449      0.654110
  C      -9.170011      4.869199     -0.266028
  C      -8.701143      3.713154     -0.848793
  C      -7.408685      3.251089     -0.512273
  N      -6.600833      3.871554      0.333161
  C      -7.051501      5.015866      0.908629
  C      -6.469140      2.219466      6.359091
  C      -7.048843      3.592113      6.747214
  C      -8.339974      3.875297      5.998498
  O      -8.006900      3.998291      4.597219
  C      -9.012042      3.672981      3.723376
  C     -10.168213      4.431791      3.608190
  C     -11.150078      4.042392      2.682058
  N     -11.058484      2.977950      1.886193
  C      -9.915516      2.238718      1.969530
  C      -9.743832      1.121075      1.114958
  C      -8.569321      0.388987      1.183231
  C      -7.578900      0.764573      2.106161
  N      -7.697598      1.803219      2.937559
  C      -8.841835      2.541216      2.875937
  H      -3.879943     -1.540962      4.907589
  H      -4.636739     -0.356096      3.824790
  H      -1.911115     -1.612673      3.192158
  H      -3.453234     -2.319313      2.688834
  H      -2.358629     -0.857138      0.921926
  H      -2.654675      0.558913      1.979586
  H      -5.740639     -1.638790     -0.526896
  H      -6.263018     -0.758718     -2.805383
  H      -4.210125      3.326524     -3.199312
  H      -2.905202      4.799745     -1.615876
  H      -2.602888      4.040968      0.751677
  H      -2.816612      5.976730      5.429407
  H      -3.951536      5.091988      6.458092
  H      -5.231236      6.272949      4.871126
  H      -5.343255      4.577798      4.380056
  H      -3.175710      5.246411      2.905747
  H      -4.004278      6.830515      2.897805
  H      -6.133466      7.421809      3.170134
  H      -8.406183      8.183955      2.610633
  H     -10.166972      5.261640     -0.470835
  H      -9.318227      3.138921     -1.541252
  H      -7.026276      2.325160     -0.950968
  H      -6.981433      1.425134      6.937047
  H      -6.697755      2.045296      5.296939
  H      -6.317224      4.374147      6.492462
  H      -7.240845      3.664186      7.829482
  H      -8.816426      4.804164      6.355674
  H      -9.059660      3.048351      6.124919
  H     -10.296228      5.335090      4.205726
  H     -12.059224      4.644042      2.584284
  H     -10.538002      0.886256      0.404810
  H      -8.393309     -0.461979      0.523655
  H      -6.636895      0.209640      2.161345
  N      -4.825537      2.304210      3.499738
  H      -4.419792      2.431691      2.559846
  H      -5.858348      2.235362      3.416412
101
Coordinates from ORCA-job orca E -6430.108483227736
  N      -2.907944      0.305075      4.830248
  Mo     -3.724093      2.096477      5.124045
  N      -5.037238      2.107787      6.571084
  C      -4.587395      2.090346      7.959694
  C      -3.244935      1.371383      8.044448
  N      -2.344067      1.855646      6.972943
  C      -1.310474      0.860097      6.607905
  C      -1.911723     -0.239704      5.748500
  C      -1.734062      3.177496      7.250691
  C      -1.492452      3.849198      5.898876
  N      -2.734351      3.884335      5.127378
  H      -1.089405     -0.733915      5.197836
  H      -2.371103     -1.028420      6.380772
  H      -0.536328      1.389257      6.037454
  H      -0.832679      0.441706      7.512266
  H      -1.089722      4.866552      6.046469
  H      -0.725300      3.289448      5.337422
  H      -2.452583      3.769855      7.834051
  H      -0.811877      3.065802      7.850789
  H      -5.319116      1.562480      8.598274
  H      -4.504603      3.119245      8.362881
  H      -3.408833      0.299251      7.866347
  H      -2.779311      1.488021      9.039989
  C      -3.645457     -0.766014      4.147447
  C      -2.906675     -1.346990      2.933327
  C      -2.958523     -0.423199      1.732514
  O      -4.336929     -0.428993      1.265187
  C      -4.600774      0.101974      0.039412
  C      -5.376526     -0.650865     -0.832804
  C      -5.677851     -0.145265     -2.108425
  N      -5.250002      1.022471     -2.576660
  C      -4.500886      1.785450     -1.726940
  C      -4.027326      3.042588     -2.173150
  C      -3.311020      3.843993     -1.306278
  C      -3.094518      3.396408      0.011776
  N      -3.495945      2.218904      0.474167
  C      -4.172134      1.399640     -0.381565
  C      -3.493849      5.109425      5.408735
  C      -4.632341      5.411154      4.438284
  C      -4.128397      5.716995      3.029420
  O      -4.980230      5.184992      1.995200
  C      -6.205599      5.706429      1.825921
  C      -6.705225      6.843099      2.446967
  C      -8.010661      7.279592      2.137082
  N      -8.831323      6.698633      1.277134
  C      -8.360241      5.570969      0.662786
  C      -9.190595      4.887915     -0.258523
  C      -8.728417      3.737716     -0.858414
  C      -7.434331      3.269621     -0.536757
  N      -6.619308      3.877388      0.310352
  C      -7.062787      5.015847      0.902171
  C      -6.476763      2.231621      6.375235
  C      -7.042324      3.617208      6.737772
  C      -8.334219      3.899527      5.990760
  O      -8.006208      3.975548      4.584870
  C      -9.017577      3.651346      3.720482
  C     -10.180142      4.401708      3.617777
  C     -11.164109      4.011950      2.693552
  N     -11.069689      2.955379      1.888419
  C      -9.921639      2.223239      1.960795
  C      -9.746749      1.112836      1.097758
  C      -8.568230      0.387987      1.155953
  C      -7.577397      0.761026      2.080809
  N      -7.699405      1.791354      2.920036
  C      -8.846066      2.525281      2.864905
  H      -3.852325     -1.572487      4.877322
  H      -4.614412     -0.378614      3.808268
  H      -1.853496     -1.554052      3.180399
  H      -3.366466     -2.310471      2.658168
  H      -2.315192     -0.787373      0.915017
  H      -2.660590      0.601598      1.991807
  H      -5.730587     -1.634986     -0.523678
  H      -6.289351     -0.745736     -2.789869
  H      -4.257309      3.347909     -3.194967
  H      -2.932297      4.816936     -1.622977
  H      -2.582038      4.041682      0.730598
  H      -2.785129      5.961461      5.391600
  H      -3.920114      5.094322      6.435451
  H      -5.203568      6.257482      4.847626
  H      -5.319921      4.557598      4.369064
  H      -3.171195      5.204336      2.868586
  H      -3.981972      6.798220      2.865763
  H      -6.115674      7.404577      3.169179
  H      -8.390361      8.177917      2.636331
  H     -10.187555      5.285729     -0.452413
  H      -9.351409      3.173718     -1.553872
  H      -7.056220      2.348808     -0.990207
  H      -6.997887      1.453021      6.966606
  H      -6.704539      2.041386      5.316144
  H      -6.303701      4.385041      6.461040
  H      -7.226891      3.714372      7.819257
  H      -8.791900      4.845943      6.325343
  H      -9.066446      3.088238      6.143263
  H     -10.312740      5.299520      4.222359
  H     -12.078300      4.607361      2.605854
  H     -10.542884      0.877470      0.390041
  H      -8.389865     -0.457068      0.489463
  H      -6.633237      0.209732      2.132421
  N      -4.828958      2.284692      3.519425
  H      -4.426950      2.430639      2.581724
  H      -5.859747      2.215391      3.433867
101
Coordinates from ORCA-job orca E -6430.109604983398
  N      -2.909454      0.287568      4.851040
  Mo     -3.725379      2.079032      5.148816
  N      -5.048837      2.111580      6.590025
  C      -4.601065      2.113303      7.979568
  C      -3.262241      1.388956      8.077495
  N      -2.358368      1.849171      6.997936
  C      -1.333377      0.838389      6.647505
  C      -1.944814     -0.263757      5.799351
  C      -1.736980      3.169891      7.258668
  C      -1.478354      3.818948      5.898508
  N      -2.712265      3.858212      5.113153
  H      -1.124643     -0.789630      5.274678
  H      -2.434420     -1.029451      6.437615
  H      -0.552131      1.352886      6.073238
  H      -0.862509      0.425129      7.558011
  H      -1.064973      4.833648      6.037724
  H      -0.711974      3.245354      5.350141
  H      -2.455134      3.778406      7.826046
  H      -0.821342      3.060478      7.869373
  H      -5.335862      1.597295      8.624574
  H      -4.513765      3.147228      8.369151
  H      -3.432651      0.314759      7.918507
  H      -2.795030      1.520988      9.070346
  C      -3.622390     -0.778155      4.135394
  C      -2.857261     -1.325993      2.921411
  C      -2.921268     -0.388653      1.732137
  O      -4.296532     -0.426966      1.252361
  C      -4.575298      0.106239      0.032564
  C      -5.351783     -0.653511     -0.833122
  C      -5.674087     -0.149628     -2.104408
  N      -5.268298      1.024704     -2.574824
  C      -4.520753      1.795779     -1.731267
  C      -4.074258      3.062791     -2.178403
  C      -3.363252      3.874150     -1.317774
  C      -3.123622      3.425549     -0.003332
  N      -3.499165      2.240582      0.458592
  C      -4.170083      1.411248     -0.391199
  C      -3.462814      5.091702      5.380881
  C      -4.603503      5.391937      4.412146
  C      -4.107262      5.687547      2.998897
  O      -4.974733      5.163208      1.973066
  C      -6.196682      5.696081      1.817252
  C      -6.681237      6.832615      2.450462
  C      -7.988331      7.278037      2.161307
  N      -8.823982      6.705942      1.309418
  C      -8.365886      5.581466      0.679614
  C      -9.210945      4.911329     -0.238088
  C      -8.760847      3.766299     -0.856990
  C      -7.464389      3.290090     -0.556823
  N      -6.636767      3.884519      0.287412
  C      -7.067949      5.018291      0.897510
  C      -6.486475      2.247539      6.390680
  C      -7.036602      3.646888      6.724197
  C      -8.329249      3.927984      5.977972
  O      -8.005770      3.950190      4.569033
  C      -9.022604      3.626960      3.713503
  C     -10.192266      4.367953      3.623968
  C     -11.178475      3.977453      2.702215
  N     -11.080496      2.928616      1.887591
  C      -9.926820      2.204403      1.948969
  C      -9.748321      1.100247      1.078389
  C      -8.565358      0.382690      1.126895
  C      -7.573733      0.754654      2.052307
  N      -7.699203      1.778017      2.898402
  C      -8.848919      2.507033      2.850041
  H      -3.831398     -1.601612      4.845401
  H      -4.590745     -0.395766      3.788706
  H      -1.801059     -1.504788      3.178312
  H      -3.285279     -2.299102      2.629336
  H      -2.262299     -0.724491      0.915082
  H      -2.653398      0.639616      2.006413
  H      -5.688909     -1.643033     -0.522085
  H      -6.284626     -0.757476     -2.780278
  H      -4.322044      3.366848     -3.196551
  H      -3.006950      4.855446     -1.634751
  H      -2.611646      4.075868      0.711364
  H      -2.747925      5.938678      5.352256
  H      -3.887692      5.093844      6.408549
  H      -5.170711      6.241637      4.820083
  H      -5.292418      4.538634      4.350675
  H      -3.158093      5.162367      2.831030
  H      -3.949186      6.766326      2.829676
  H      -6.079409      7.386923      3.168199
  H      -8.356726      8.174973      2.671462
  H     -10.208278      5.316091     -0.415333
  H      -9.394083      3.213378     -1.552114
  H      -7.095015      2.374351     -1.027599
  H      -7.017745      1.486894      6.996514
  H      -6.714022      2.038122      5.335531
  H      -6.291173      4.399511      6.425163
  H      -7.212268      3.771765      7.804400
  H      -8.766381      4.893256      6.284773
  H      -9.076081      3.136166      6.159133
  H     -10.328955      5.259903      4.236280
  H     -12.098165      4.565931      2.624602
  H     -10.546838      0.863008      0.373833
  H      -8.384625     -0.457017      0.454231
  H      -6.626875      0.207518      2.100467
  N      -4.832433      2.260221      3.537913
  H      -4.430849      2.424521      2.604160
  H      -5.861671      2.182897      3.447201
101
Coordinates from ORCA-job orca E -6430.110650886532
  N      -2.915471      0.273912      4.865853
  Mo     -3.724901      2.068229      5.161896
  N      -5.056918      2.120596      6.599375
  C      -4.607847      2.141612      7.988408
  C      -3.273696      1.410647      8.098496
  N      -2.367156      1.845303      7.010341
  C      -1.353922      0.816987      6.674128
  C      -1.981230     -0.285524      5.839131
  C      -1.731645      3.162965      7.255396
  C      -1.461495      3.794776      5.888898
  N      -2.690735      3.838369      5.096004
  H      -1.168052     -0.844682      5.337797
  H      -2.501003     -1.024945      6.484714
  H      -0.565610      1.313781      6.093780
  H      -0.889542      0.408601      7.590218
  H      -1.039203      4.806971      6.022151
  H      -0.697181      3.210406      5.349234
  H      -2.446355      3.786571      7.810961
  H      -0.820571      3.052781      7.872716
  H      -5.344969      1.638443      8.641336
  H      -4.514261      3.180467      8.363823
  H      -3.451800      0.334904      7.959749
  H      -2.804236      1.558420      9.088036
  C      -3.612164     -0.784605      4.124966
  C      -2.828250     -1.309161      2.912134
  C      -2.898444     -0.363136      1.730611
  O      -4.270358     -0.419329      1.240274
  C      -4.557146      0.121384      0.027834
  C      -5.355451     -0.624988     -0.829734
  C      -5.692325     -0.111514     -2.093424
  N      -5.282451      1.060669     -2.564981
  C      -4.513262      1.819013     -1.729623
  C      -4.062817      3.085050     -2.176267
  C      -3.331362      3.885033     -1.323552
  C      -3.071876      3.424903     -0.016262
  N      -3.449899      2.241125      0.443838
  C      -4.144200      1.423693     -0.397910
  C      -3.433796      5.077902      5.357176
  C      -4.581728      5.374871      4.395149
  C      -4.098906      5.671123      2.977814
  O      -4.980473      5.154765      1.959053
  C      -6.201688      5.691728      1.815314
  C      -6.678130      6.827481      2.456038
  C      -7.988652      7.273207      2.183551
  N      -8.834460      6.702820      1.340246
  C      -8.382281      5.582243      0.699375
  C      -9.236212      4.917044     -0.214034
  C      -8.790770      3.777849     -0.846850
  C      -7.490080      3.301879     -0.564215
  N      -6.655043      3.890849      0.276411
  C      -7.081688      5.019266      0.900004
  C      -6.492978      2.266252      6.401449
  C      -7.028315      3.678949      6.703741
  C      -8.322989      3.957108      5.959619
  O      -8.009740      3.919390      4.548659
  C      -9.034783      3.595277      3.706777
  C     -10.212646      4.324661      3.633811
  C     -11.203243      3.931076      2.717728
  N     -11.102908      2.889689      1.894363
  C      -9.942998      2.174529      1.942670
  C      -9.762917      1.074889      1.066454
  C      -8.575986      0.364202      1.104886
  C      -7.581603      0.737246      2.027844
  N      -7.707605      1.756496      2.877657
  C      -8.860622      2.480119      2.836690
  H      -3.825121     -1.621912      4.817525
  H      -4.578586     -0.401888      3.773319
  H      -1.770683     -1.466903      3.177997
  H      -3.233075     -2.288572      2.608529
  H      -2.229073     -0.680506      0.914738
  H      -2.649804      0.666852      2.015482
  H      -5.698669     -1.612024     -0.517363
  H      -6.319719     -0.709899     -2.762384
  H      -4.325965      3.397343     -3.188150
  H      -2.974309      4.866637     -1.638516
  H      -2.540657      4.064825      0.693805
  H      -2.715989      5.922377      5.317881
  H      -3.853081      5.091617      6.387214
  H      -5.148948      6.222555      4.806990
  H      -5.266681      4.517163      4.339351
  H      -3.155454      5.139948      2.796805
  H      -3.935144      6.749218      2.809177
  H      -6.068054      7.380550      3.167706
  H      -8.351931      8.168262      2.700705
  H     -10.235741      5.322260     -0.377669
  H      -9.429738      3.229872     -1.540619
  H      -7.123286      2.391573     -1.047718
  H      -7.030743      1.525244      7.026082
  H      -6.724349      2.034246      5.352506
  H      -6.277474      4.416328      6.381602
  H      -7.194271      3.832821      7.781792
  H      -8.737290      4.941760      6.234595
  H      -9.084639      3.188249      6.174733
  H     -10.352887      5.210705      4.253775
  H     -12.129443      4.510871      2.652306
  H     -10.565251      0.834118      0.367313
  H      -8.395065     -0.472321      0.428291
  H      -6.632956      0.192643      2.072967
  N      -4.835691      2.245525      3.545609
  H      -4.435091      2.432736      2.616929
  H      -5.863299      2.164711      3.450819
101
Coordinates from ORCA-job orca E -6430.111636346229
  N      -2.924728      0.257518      4.884298
  Mo     -3.728861      2.054940      5.174976
  N      -5.069225      2.129096      6.610441
  C      -4.618633      2.171845      7.998122
  C      -3.290202      1.432957      8.121985
  N      -2.379913      1.839929      7.025844
  C      -1.379486      0.793434      6.704843
  C      -2.021847     -0.308651      5.882150
  C      -1.728842      3.153512      7.253198
  C      -1.447093      3.764713      5.879375
  N      -2.672310      3.814523      5.080501
  H      -1.216354     -0.900199      5.405509
  H      -2.571320     -1.020815      6.534120
  H      -0.583835      1.271456      6.118429
  H      -0.921901      0.390465      7.626758
  H      -1.013415      4.773475      6.003884
  H      -0.686969      3.165720      5.349958
  H      -2.438130      3.793831      7.796838
  H      -0.821963      3.041474      7.876231
  H      -5.358565      1.684365      8.660223
  H      -4.517112      3.215902      8.357802
  H      -3.476466      0.356113      8.004640
  H      -2.819220      1.597170      9.108203
  C      -3.598464     -0.794836      4.115333
  C      -2.788091     -1.288468      2.907107
  C      -2.866194     -0.331123      1.735730
  O      -4.232094     -0.417317      1.230478
  C      -4.533846      0.127528      0.026041
  C      -5.343443     -0.618098     -0.821809
  C      -5.704094     -0.101854     -2.077532
  N      -5.309952      1.074656     -2.551083
  C      -4.531176      1.832968     -1.725168
  C      -4.100526      3.105934     -2.172024
  C      -3.362189      3.908018     -1.328799
  C      -3.072943      3.441350     -0.029371
  N      -3.430837      2.251787      0.429482
  C      -4.134166      1.433365     -0.402926
  C      -3.403935      5.062517      5.333569
  C      -4.554044      5.359101      4.374026
  C      -4.076796      5.656510      2.955801
  O      -4.968407      5.149281      1.940041
  C      -6.190325      5.688231      1.812743
  C      -6.658696      6.818536      2.469018
  C      -7.973695      7.264291      2.219730
  N      -8.831369      6.699057      1.385036
  C      -8.385808      5.586563      0.725846
  C      -9.251356      4.930197     -0.182911
  C      -8.812044      3.801246     -0.837380
  C      -7.505629      3.325981     -0.580649
  N      -6.660319      3.905669      0.256367
  C      -7.081257      5.024556      0.901315
  C      -6.503247      2.286716      6.412874
  C      -7.021528      3.712991      6.680800
  C      -8.315784      3.990222      5.935477
  O      -8.010900      3.886038      4.526120
  C      -9.042029      3.562813      3.695496
  C     -10.229607      4.277735      3.640461
  C     -11.222256      3.882196      2.727033
  N     -11.116652      2.851472      1.891576
  C      -9.949478      2.147415      1.926394
  C      -9.765509      1.054567      1.042454
  C      -8.574348      0.351426      1.071649
  C      -7.578808      0.725051      1.993785
  N      -7.707109      1.738981      2.848449
  C      -8.864390      2.455570      2.815231
  H      -3.813330     -1.647972      4.787806
  H      -4.563458     -0.415944      3.755812
  H      -1.730249     -1.420206      3.186641
  H      -3.161900     -2.275206      2.588145
  H      -2.181765     -0.623156      0.923085
  H      -2.646036      0.701484      2.033731
  H      -5.677142     -1.607493     -0.506678
  H      -6.339513     -0.701245     -2.737899
  H      -4.385706      3.421109     -3.177039
  H      -3.021968      4.895609     -1.643432
  H      -2.531757      4.079975      0.674386
  H      -2.679875      5.901458      5.285725
  H      -3.819870      5.089625      6.364875
  H      -5.122878      6.204549      4.787945
  H      -5.234821      4.497627      4.320002
  H      -3.138513      5.119000      2.766683
  H      -3.905836      6.733691      2.788734
  H      -6.039121      7.366712      3.176096
  H      -8.331148      8.153978      2.749977
  H     -10.254037      5.335235     -0.326431
  H      -9.458920      3.261087     -1.529867
  H      -7.143363      2.424617     -1.083693
  H      -7.049267      1.567798      7.056246
  H      -6.738879      2.031037      5.370635
  H      -6.263703      4.432980      6.337254
  H      -7.179254      3.897377      7.755308
  H      -8.704099      4.995032      6.172471
  H      -9.094958      3.249774      6.184637
  H     -10.376266      5.154835      4.271390
  H     -12.155722      4.451506      2.674768
  H     -10.570326      0.810753      0.347213
  H      -8.391659     -0.480793      0.390310
  H      -6.628486      0.183345      2.036183
  N      -4.843559      2.227629      3.553742
  H      -4.443444      2.435263      2.629962
  H      -5.868641      2.134933      3.452995
101
Coordinates from ORCA-job orca E -6430.112567796128
  N      -2.936415      0.242373      4.903686
  Mo     -3.734277      2.042765      5.183251
  N      -5.079338      2.141938      6.618820
  C      -4.626508      2.206822      8.004468
  C      -3.305715      1.457305      8.142323
  N      -2.390379      1.834806      7.039427
  C      -1.404206      0.769435      6.734380
  C      -2.061571     -0.331125      5.921746
  C      -1.721921      3.143018      7.246891
  C      -1.429912      3.730035      5.863910
  N      -2.653036      3.787696      5.061856
  H      -1.264851     -0.950512      5.465973
  H      -2.636949     -1.018002      6.578854
  H      -0.601218      1.227767      6.141936
  H      -0.953846      0.371912      7.662180
  H      -0.981931      4.734239      5.974831
  H      -0.677924      3.111103      5.346067
  H      -2.423121      3.801783      7.778975
  H      -0.818082      3.027612      7.873770
  H      -5.370004      1.738264      8.676630
  H      -4.514715      3.256086      8.346732
  H      -3.501976      0.380232      8.045521
  H      -2.834005      1.636117      9.125755
  C      -3.590709     -0.803645      4.109417
  C      -2.756499     -1.267119      2.905812
  C      -2.839688     -0.296941      1.745351
  O      -4.198412     -0.404794      1.223944
  C      -4.509759      0.144514      0.025863
  C      -5.327299     -0.600211     -0.815562
  C      -5.700421     -0.083817     -2.067259
  N      -5.312428      1.093361     -2.544214
  C      -4.526753      1.851379     -1.724828
  C      -4.103909      3.126097     -2.174557
  C      -3.360266      3.929741     -1.338508
  C      -3.056103      3.462266     -0.042405
  N      -3.405764      2.271262      0.418620
  C      -4.115408      1.451569     -0.406981
  C      -3.370140      5.045478      5.309172
  C      -4.524934      5.342594      4.355291
  C      -4.056615      5.642543      2.934907
  O      -4.960257      5.145050      1.923902
  C      -6.182471      5.686795      1.814916
  C      -6.639778      6.814603      2.483571
  C      -7.958401      7.262129      2.257233
  N      -8.829720      6.701627      1.433648
  C      -8.394269      5.593598      0.760003
  C      -9.273852      4.943650     -0.139780
  C      -8.844604      3.820415     -0.810132
  C      -7.533793      3.343935     -0.578630
  N      -6.675729      3.917235      0.250210
  C      -7.087301      5.030424      0.911234
  C      -6.511941      2.309961      6.421362
  C      -7.014626      3.748910      6.649717
  C      -8.309569      4.021401      5.903107
  O      -8.017417      3.847877      4.498266
  C      -9.056469      3.525110      3.681427
  C     -10.252488      4.226923      3.645354
  C     -11.250011      3.828166      2.737915
  N     -11.143099      2.805799      1.892968
  C      -9.969542      2.111253      1.913117
  C      -9.785721      1.022788      1.023563
  C      -8.590823      0.326115      1.041642
  C      -7.590813      0.701987      1.958562
  N      -7.717978      1.713178      2.815915
  C      -8.879268      2.423299      2.792838
  H      -3.807216     -1.671225      4.762567
  H      -4.553806     -0.426840      3.742880
  H      -1.699636     -1.378352      3.198246
  H      -3.104090     -2.258127      2.570610
  H      -2.141508     -0.565901      0.936556
  H      -2.643023      0.736034      2.057276
  H      -5.657058     -1.590101     -0.497617
  H      -6.341308     -0.683951     -2.721724
  H      -4.400133      3.440983     -3.176544
  H      -3.026765      4.919117     -1.654694
  H      -2.507357      4.100978      0.655741
  H      -2.638870      5.877613      5.250229
  H      -3.778080      5.085607      6.343469
  H      -5.093471      6.186425      4.772735
  H      -5.202669      4.478063      4.303901
  H      -3.123476      5.100015      2.734730
  H      -3.879796      6.719238      2.770513
  H      -6.008433      7.358872      3.183160
  H      -8.307099      8.149327      2.797605
  H     -10.278811      5.349640     -0.263844
  H      -9.501921      3.285624     -1.497043
  H      -7.178862      2.447824     -1.096100
  H      -7.064506      1.615672      7.086045
  H      -6.752978      2.027238      5.387411
  H      -6.251076      4.450817      6.282759
  H      -7.164508      3.966729      7.719126
  H      -8.672925      5.044347      6.098331
  H      -9.103859      3.310786      6.188556
  H     -10.402613      5.097301      4.284635
  H     -12.189533      4.388708      2.699553
  H     -10.595075      0.775362      0.334788
  H      -8.409152     -0.503694      0.357062
  H      -6.638961      0.162271      1.995304
  N      -4.850674      2.210614      3.558543
  H      -4.449312      2.444822      2.642219
  H      -5.873693      2.107610      3.450896
101
Coordinates from ORCA-job orca E -6430.113468133827
  N      -2.956073      0.224897      4.921015
  Mo     -3.743656      2.032189      5.187868
  N      -5.091933      2.157416      6.625552
  C      -4.634961      2.245070      8.007789
  C      -3.323150      1.482385      8.158857
  N      -2.403346      1.828455      7.049042
  C      -1.433522      0.743731      6.758918
  C      -2.106438     -0.354204      5.956683
  C      -1.714737      3.128954      7.235927
  C      -1.414981      3.692580      5.844505
  N      -2.637829      3.762324      5.043108
  H      -1.319407     -0.998890      5.519395
  H      -2.703537     -1.016867      6.619457
  H      -0.623852      1.182066      6.160318
  H      -0.989827      0.351382      7.692066
  H      -0.949564      4.690273      5.942229
  H      -0.674873      3.052393      5.335548
  H      -2.404553      3.805936      7.759959
  H      -0.811901      3.007547      7.863241
  H      -5.382131      1.798618      8.691190
  H      -4.509621      3.299101      8.331808
  H      -3.531211      0.405913      8.082819
  H      -2.849129      1.675067      9.138613
  C      -3.585006     -0.817626      4.102445
  C      -2.722061     -1.246043      2.906018
  C      -2.813568     -0.262930      1.757296
  O      -4.162430     -0.400418      1.217292
  C      -4.487378      0.154996      0.028147
  C      -5.321310     -0.584294     -0.802211
  C      -5.717046     -0.062494     -2.044476
  N      -5.338169      1.116677     -2.523340
  C      -4.536899      1.869642     -1.714890
  C      -4.125113      3.147780     -2.165480
  C      -3.367620      3.948112     -1.340006
  C      -3.035555      3.472807     -0.053073
  N      -3.373285      2.278862      0.407336
  C      -4.098952      1.463385     -0.407803
  C      -3.335999      5.030901      5.287972
  C      -4.496085      5.330183      4.341655
  C      -4.036048      5.635134      2.920223
  O      -4.948769      5.146020      1.911882
  C      -6.173999      5.684769      1.821784
  C      -6.626303      6.806339      2.504546
  C      -7.950076      7.249651      2.301382
  N      -8.831271      6.691401      1.487050
  C      -8.399919      5.591923      0.796724
  C      -9.289056      4.947177     -0.097044
  C      -8.863524      3.834268     -0.786481
  C      -7.546802      3.362685     -0.580080
  N      -6.680024      3.930769      0.243705
  C      -7.088308      5.033641      0.923735
  C      -6.522759      2.338779      6.428988
  C      -7.006268      3.790822      6.613693
  C      -8.299948      4.061143      5.863761
  O      -8.021951      3.812485      4.468015
  C      -9.067661      3.489321      3.665349
  C     -10.275686      4.171050      3.650804
  C     -11.275974      3.765729      2.748401
  N     -11.163417      2.754618      1.891601
  C      -9.979871      2.076041      1.894937
  C      -9.791255      0.994640      0.997981
  C      -8.589357      0.310577      1.003791
  C      -7.586593      0.692646      1.915741
  N      -7.717146      1.699112      2.776869
  C      -8.886014      2.396304      2.765476
  H      -3.798975     -1.699315      4.736896
  H      -4.547687     -0.448327      3.727057
  H      -1.667238     -1.330715      3.214203
  H      -3.035897     -2.242168      2.552942
  H      -2.098984     -0.502824      0.953868
  H      -2.647969      0.770349      2.084810
  H      -5.647441     -1.574580     -0.481823
  H      -6.370302     -0.659848     -2.689112
  H      -4.441766      3.467470     -3.159651
  H      -3.043485      4.940628     -1.655917
  H      -2.472822      4.107993      0.637048
  H      -2.595632      5.854217      5.217504
  H      -3.733525      5.083531      6.326057
  H      -5.065857      6.170649      4.763615
  H      -5.169061      4.461199      4.291466
  H      -3.106807      5.089626      2.710442
  H      -3.855045      6.711656      2.759292
  H      -5.986366      7.348424      3.197749
  H      -8.294347      8.131259      2.853638
  H     -10.297723      5.349271     -0.201955
  H      -9.527610      3.304093     -1.470393
  H      -7.194581      2.475471     -1.114431
  H      -7.082592      1.672824      7.116301
  H      -6.771341      2.027275      5.405123
  H      -6.234410      4.470819      6.224135
  H      -7.149810      4.043699      7.676219
  H      -8.634423      5.101662      6.011679
  H      -9.110917      3.385912      6.185577
  H     -10.434526      5.031839      4.300555
  H     -12.224039      4.312643      2.726363
  H     -10.603882      0.740579      0.315519
  H      -8.404624     -0.515186      0.315166
  H      -6.631454      0.159019      1.946115
  N      -4.864268      2.198139      3.561498
  H      -4.464851      2.458451      2.651818
  H      -5.884239      2.078967      3.446860
101
Coordinates from ORCA-job orca E -6430.114335512248
  N      -2.979801      0.214698      4.937266
  Mo     -3.754684      2.028419      5.193090
  N      -5.102729      2.178842      6.632796
  C      -4.641494      2.285278      8.011795
  C      -3.339662      1.507699      8.173365
  N      -2.416008      1.823915      7.057978
  C      -1.463451      0.720523      6.781835
  C      -2.152201     -0.372563      5.986504
  C      -1.706435      3.115648      7.225600
  C      -1.399068      3.655677      5.825630
  N      -2.621769      3.739672      5.025150
  H      -1.375286     -1.037342      5.561681
  H      -2.767903     -1.014818      6.652011
  H      -0.646796      1.139566      6.179191
  H      -1.027794      0.331080      7.719854
  H      -0.913200      4.644938      5.908559
  H      -0.674578      2.991805      5.325057
  H      -2.383751      3.810564      7.742142
  H      -0.804009      2.987523      7.852230
  H      -5.392397      1.860805      8.705216
  H      -4.501478      3.342854      8.318717
  H      -3.561698      0.432955      8.114242
  H      -2.862709      1.709477      9.149887
  C      -3.587569     -0.824208      4.097401
  C      -2.700966     -1.222863      2.907234
  C      -2.797518     -0.227510      1.769287
  O      -4.134601     -0.388600      1.207635
  C      -4.463975      0.170513      0.023146
  C      -5.305923     -0.565468     -0.801987
  C      -5.709929     -0.041772     -2.040697
  N      -5.333356      1.136905     -2.521348
  C      -4.524065      1.886916     -1.718618
  C      -4.115110      3.165329     -2.170976
  C      -3.349713      3.963076     -1.351455
  C      -3.005570      3.484739     -0.068374
  N      -3.340712      2.291223      0.393010
  C      -4.075028      1.478310     -0.416289
  C      -3.297941      5.020661      5.265016
  C      -4.462419      5.323195      4.325474
  C      -4.010702      5.628891      2.901927
  O      -4.934671      5.147871      1.899323
  C      -6.162513      5.683787      1.830275
  C      -6.609169      6.797724      2.529067
  C      -7.938455      7.235461      2.352101
  N      -8.830634      6.678752      1.549023
  C      -8.404687      5.588512      0.840922
  C      -9.305283      4.947075     -0.043439
  C      -8.884485      3.844362     -0.751979
  C      -7.561307      3.379907     -0.574244
  N      -6.684163      3.944738      0.240972
  C      -7.087811      5.037117      0.940049
  C      -6.532552      2.369192      6.437277
  C      -7.001387      3.830732      6.579668
  C      -8.295117      4.093907      5.826393
  O      -8.034284      3.770960      4.443143
  C      -9.087571      3.447186      3.655268
  C     -10.304383      4.113008      3.660675
  C     -11.308763      3.702969      2.764021
  N     -11.194849      2.701482      1.897399
  C     -10.004303      2.034457      1.884917
  C      -9.815177      0.958822      0.981420
  C      -8.608528      0.283929      0.974643
  C      -7.601311      0.670019      1.880496
  N      -7.731940      1.672391      2.745093
  C      -8.906005      2.360292      2.745983
  H      -3.799072     -1.716846      4.716440
  H      -4.549222     -0.460505      3.713930
  H      -1.649083     -1.286885      3.229396
  H      -2.987584     -2.221129      2.537369
  H      -2.066348     -0.440369      0.973418
  H      -2.659832      0.804352      2.112411
  H      -5.632688     -1.554988     -0.480217
  H      -6.369615     -0.637292     -2.680290
  H      -4.440212      3.486908     -3.161704
  H      -3.026837      4.955890     -1.667540
  H      -2.433576      4.117720      0.615984
  H      -2.547219      5.833391      5.180538
  H      -3.684511      5.088049      6.306611
  H      -5.029954      6.164036      4.749180
  H      -5.134428      4.452950      4.277476
  H      -3.086506      5.078807      2.682451
  H      -3.824964      6.704933      2.743068
  H      -5.960002      7.337183      3.215567
  H      -8.277959      8.110314      2.917731
  H     -10.318186      5.343315     -0.126776
  H      -9.556925      3.317152     -1.429856
  H      -7.212187      2.501477     -1.124735
  H      -7.096305      1.729559      7.146017
  H      -6.787897      2.031025      5.423896
  H      -6.223352      4.489434      6.167579
  H      -7.139811      4.117396      7.634197
  H      -8.603515      5.148061      5.925770
  H      -9.119117      3.453790      6.185038
  H     -10.469277      4.965956      4.318832
  H     -12.262898      4.239608      2.757539
  H     -10.631931      0.700494      0.305649
  H      -8.423615     -0.538513      0.282228
  H      -6.643598      0.140733      1.902711
  N      -4.879169      2.196293      3.565009
  H      -4.482272      2.488465      2.664371
  H      -5.896190      2.065647      3.443919
101
Coordinates from ORCA-job orca E -6430.115403802659
  N      -3.004919      0.204328      4.950843
  Mo     -3.767307      2.025246      5.198704
  N      -5.113073      2.197896      6.641322
  C      -4.646979      2.321475      8.016671
  C      -3.354880      1.529363      8.186394
  N      -2.429093      1.818367      7.065923
  C      -1.493002      0.698406      6.801263
  C      -2.195818     -0.389780      6.011435
  C      -1.700208      3.101768      7.215228
  C      -1.387952      3.620142      5.807405
  N      -2.610567      3.718746      5.007748
  H      -1.427767     -1.070642      5.596108
  H      -2.826658     -1.015565      6.678159
  H      -0.669798      1.100639      6.196317
  H      -1.064730      0.310791      7.743481
  H      -0.881492      4.600251      5.876455
  H      -0.679500      2.934618      5.313152
  H      -2.364999      3.812150      7.726726
  H      -0.796701      2.967948      7.839397
  H      -5.400867      1.918233      8.719591
  H      -4.491953      3.381733      8.307554
  H      -3.590977      0.456818      8.141620
  H      -2.873687      1.737601      9.159604
  C      -3.591308     -0.831320      4.091575
  C      -2.684991     -1.202405      2.906344
  C      -2.785419     -0.193996      1.780027
  O      -4.111718     -0.372118      1.198308
  C      -4.444364      0.195284      0.020375
  C      -5.303491     -0.528726     -0.797235
  C      -5.717243      0.003061     -2.029592
  N      -5.336151      1.179411     -2.510777
  C      -4.509804      1.918359     -1.715654
  C      -4.097170      3.195835     -2.167928
  C      -3.315751      3.983641     -1.355468
  C      -2.956893      3.495772     -0.079131
  N      -3.294327      2.303379      0.380212
  C      -4.046803      1.500418     -0.421516
  C      -3.264479      5.011847      5.241019
  C      -4.433296      5.318321      4.307804
  C      -3.989547      5.620745      2.881108
  O      -4.922143      5.142474      1.884275
  C      -6.152476      5.675383      1.831718
  C      -6.592795      6.786858      2.538361
  C      -7.926001      7.220379      2.382581
  N      -8.828103      6.661914      1.591971
  C      -8.408404      5.575824      0.873888
  C      -9.319749      4.934650      0.000624
  C      -8.905195      3.836429     -0.718912
  C      -7.577915      3.376770     -0.563007
  N      -6.690836      3.941522      0.241706
  C      -7.087917      5.028986      0.951859
  C      -6.542152      2.396281      6.446835
  C      -6.996876      3.865851      6.549656
  C      -8.289205      4.123796      5.791097
  O      -8.043979      3.732607      4.423397
  C      -9.103628      3.408617      3.648507
  C     -10.328222      4.060043      3.672209
  C     -11.337238      3.643834      2.782918
  N     -11.223281      2.649305      1.909035
  C     -10.025937      1.993729      1.881086
  C      -9.836677      0.922376      0.972742
  C      -8.624256      0.258101      0.952301
  C      -7.611554      0.651143      1.849391
  N      -7.742416      1.650236      2.716877
  C      -8.922468      2.327261      2.731349
  H      -3.799641     -1.733240      4.697458
  H      -4.552689     -0.473671      3.701093
  H      -1.636077     -1.250047      3.240545
  H      -2.948309     -2.200885      2.520006
  H      -2.040054     -0.380763      0.990995
  H      -2.672541      0.834684      2.139658
  H      -5.637509     -1.515638     -0.475004
  H      -6.390456     -0.584279     -2.662627
  H      -4.433067      3.524530     -3.152703
  H      -2.989788      4.975716     -1.670882
  H      -2.370869      4.121269      0.600110
  H      -2.502799      5.812811      5.141162
  H      -3.640130      5.095792      6.285640
  H      -4.997545      6.160630      4.732399
  H      -5.106188      4.447933      4.263051
  H      -3.069309      5.066172      2.656639
  H      -3.800332      6.695864      2.719664
  H      -5.934854      7.327686      3.215337
  H      -8.259623      8.092981      2.955141
  H     -10.335401      5.326866     -0.066372
  H      -9.585759      3.309803     -1.389049
  H      -7.233314      2.502495     -1.122901
  H      -7.109171      1.781314      7.174507
  H      -6.804192      2.034087      5.443834
  H      -6.211200      4.502706      6.119076
  H      -7.132080      4.183020      7.595853
  H      -8.572376      5.188307      5.842951
  H      -9.125788      3.519379      6.181751
  H     -10.498297      4.907145      4.336396
  H     -12.296663      4.171199      2.791205
  H     -10.658369      0.657791      0.305402
  H      -8.439022     -0.561787      0.256871
  H      -6.650000      0.128666      1.861727
  N      -4.895906      2.196414      3.569543
  H      -4.506137      2.526569      2.679579
  H      -5.908645      2.043686      3.440768
101
Coordinates from ORCA-job orca E -6430.115606368284
  N      -3.046526      0.190101      4.962409
  Mo     -3.796292      2.019400      5.192624
  N      -5.127827      2.219614      6.648182
  C      -4.647609      2.364840      8.017173
  C      -3.366890      1.558600      8.190199
  N      -2.444828      1.816869      7.059423
  C      -1.528889      0.678928      6.806389
  C      -2.251106     -0.406061      6.028311
  C      -1.694589      3.092957      7.183533
  C      -1.384473      3.582647      5.761237
  N      -2.611568      3.696283      4.970811
  H      -1.498477     -1.102489      5.617223
  H      -2.890717     -1.011336      6.699375
  H      -0.701909      1.060467      6.193737
  H      -1.104704      0.297107      7.752742
  H      -0.854285      4.555098      5.807267
  H      -0.697368      2.868194      5.271554
  H      -2.341786      3.823362      7.691944
  H      -0.787245      2.953500      7.801135
  H      -5.400405      1.985383      8.735442
  H      -4.474454      3.428688      8.288017
  H      -3.618509      0.488611      8.163081
  H      -2.876718      1.775678      9.157827
  C      -3.616252     -0.843749      4.081860
  C      -2.687007     -1.192093      2.900931
  C      -2.760937     -0.163857      1.789862
  O      -4.067280     -0.324980      1.179593
  C      -4.382881      0.271257      0.010860
  C      -5.280750     -0.406022     -0.810706
  C      -5.696377      0.163990     -2.028143
  N      -5.285396      1.337277     -2.492170
  C      -4.418779      2.030581     -1.694234
  C      -3.974646      3.304871     -2.127555
  C      -3.149520      4.047971     -1.313014
  C      -2.775474      3.518879     -0.054316
  N      -3.143953      2.327747      0.388111
  C      -3.942968      1.568625     -0.415321
  C      -3.233218      5.012682      5.185831
  C      -4.401593      5.318029      4.255748
  C      -3.957500      5.588410      2.820025
  O      -4.903040      5.102205      1.839185
  C      -6.129450      5.640843      1.800705
  C      -6.541403      6.764148      2.496880
  C      -7.878137      7.198597      2.367579
  N      -8.811745      6.626769      1.615048
  C      -8.417887      5.532305      0.902193
  C      -9.359135      4.880400      0.061776
  C      -8.969015      3.777069     -0.655984
  C      -7.636345      3.323546     -0.530006
  N      -6.722673      3.897073      0.245072
  C      -7.094735      4.987970      0.952370
  C      -6.557659      2.422458      6.462176
  C      -7.000065      3.900381      6.518524
  C      -8.297618      4.143652      5.760641
  O      -8.077563      3.673084      4.412333
  C      -9.148624      3.355018      3.656732
  C     -10.370217      4.000361      3.695405
  C     -11.390293      3.579571      2.818123
  N     -11.293234      2.585516      1.947405
  C     -10.100822      1.930668      1.911268
  C      -9.931910      0.850993      1.016321
  C      -8.729722      0.183037      0.995853
  C      -7.704691      0.583237      1.877341
  N      -7.815104      1.591206      2.727418
  C      -8.986832      2.270141      2.744109
  H      -3.829409     -1.754384      4.675053
  H      -4.574933     -0.487249      3.681053
  H      -1.648128     -1.239447      3.255240
  H      -2.939943     -2.182637      2.488965
  H      -2.002232     -0.330983      1.008196
  H      -2.654685      0.852242      2.176769
  H      -5.644596     -1.387665     -0.503415
  H      -6.400582     -0.387624     -2.662632
  H      -4.321054      3.666864     -3.100023
  H      -2.796692      5.035831     -1.612745
  H      -2.145804      4.108049      0.621297
  H      -2.452937      5.797670      5.058008
  H      -3.598344      5.128839      6.235382
  H      -4.955786      6.174495      4.668144
  H      -5.085350      4.450203      4.229492
  H      -3.047069      5.017777      2.597345
  H      -3.752697      6.660593      2.638092
  H      -5.858211      7.312244      3.147209
  H      -8.189772      8.079954      2.934849
  H     -10.377160      5.269249      0.015709
  H      -9.672360      3.243383     -1.303290
  H      -7.309138      2.448000     -1.089401
  H      -7.121929      1.835550      7.216187
  H      -6.832279      2.028912      5.474137
  H      -6.209907      4.515295      6.061358
  H      -7.126964      4.255621      7.556103
  H      -8.557120      5.216120      5.756759
  H      -9.142594      3.578762      6.192951
  H     -10.535025      4.845515      4.359676
  H     -12.347408      4.104592      2.838537
  H     -10.763665      0.579895      0.362808
  H      -8.560885     -0.645673      0.313527
  H      -6.749817      0.056813      1.890883
  N      -4.939973      2.186174      3.571685
  H      -4.559183      2.538855      2.681410
  H      -5.945944      2.009475      3.441070
101
Coordinates from ORCA-job orca E -6430.114022523869
  N      -3.063909      0.186416      4.975603
  Mo     -3.807638      2.018788      5.178695
  N      -5.130125      2.238181      6.638220
  C      -4.640524      2.404941      8.002855
  C      -3.364179      1.596107      8.182654
  N      -2.448155      1.829968      7.044310
  C      -1.544731      0.680100      6.809721
  C      -2.281178     -0.408042      6.048855
  C      -1.685770      3.099361      7.145985
  C      -1.381227      3.564377      5.715158
  N      -2.608069      3.680189      4.929253
  H      -1.542183     -1.123259      5.643745
  H      -2.930537     -0.991193      6.729771
  H      -0.714571      1.041240      6.189995
  H      -1.127222      0.308221      7.763298
  H      -0.839402      4.527797      5.745335
  H      -0.711642      2.835399      5.230506
  H      -2.320892      3.841965      7.648742
  H      -0.775584      2.961749      7.758186
  H      -5.389060      2.042973      8.731643
  H      -4.459798      3.471191      8.253504
  H      -3.623666      0.528548      8.172726
  H      -2.868260      1.823997      9.145113
  C      -3.619083     -0.848002      4.102216
  C      -2.668745     -1.198867      2.946322
  C      -2.730772     -0.175824      1.835236
  O      -4.023136     -0.348020      1.188271
  C      -4.318396      0.247826      0.017778
  C      -5.231575     -0.414058     -0.801888
  C      -5.642743      0.168334     -2.012807
  N      -5.216911      1.340436     -2.472278
  C      -4.330557      2.015627     -1.679518
  C      -3.867326      3.285757     -2.111328
  C      -3.018639      4.012214     -1.301177
  C      -2.638844      3.470460     -0.050308
  N      -3.026561      2.280858      0.390755
  C      -3.850681      1.538098     -0.407993
  C      -3.208319      5.006365      5.130331
  C      -4.378950      5.311928      4.205140
  C      -3.949725      5.578402      2.762054
  O      -4.916615      5.103267      1.793247
  C      -6.155130      5.634446      1.802394
  C      -6.567061      6.737095      2.553246
  C      -7.920604      7.165732      2.484010
  N      -8.872689      6.606132      1.743021
  C      -8.477270      5.538435      0.967712
  C      -9.434056      4.912329      0.123530
  C      -9.036189      3.839237     -0.668757
  C      -7.680695      3.387841     -0.610943
  N      -6.755290      3.936779      0.169736
  C      -7.134798      5.000460      0.950529
  C      -6.560021      2.432457      6.463678
  C      -6.999557      3.902825      6.493904
  C      -8.307497      4.137731      5.748599
  O      -8.123512      3.630135      4.429065
  C      -9.207619      3.326514      3.692091
  C     -10.448544      3.953880      3.777364
  C     -11.473838      3.544607      2.904767
  N     -11.364520      2.579546      1.996789
  C     -10.155294      1.936699      1.918226
  C      -9.970960      0.882152      0.983325
  C      -8.754301      0.221546      0.924554
  C      -7.732480      0.607483      1.810841
  N      -7.855673      1.593962      2.692451
  C      -9.039510      2.264325      2.744638
  H      -3.831835     -1.747958      4.697264
  H      -4.575545     -0.498608      3.683644
  H      -1.634871     -1.233784      3.324702
  H      -2.906516     -2.188418      2.530554
  H      -1.949097     -0.332663      1.074520
  H      -2.645426      0.840775      2.233225
  H      -5.609825     -1.394458     -0.500980
  H      -6.358773     -0.369843     -2.645519
  H      -4.216206      3.658064     -3.077963
  H      -2.648220      4.995805     -1.597948
  H      -1.982190      4.046504      0.616739
  H      -2.420625      5.780005      4.984762
  H      -3.563499      5.141227      6.180067
  H      -4.928886      6.170704      4.617272
  H      -5.063180      4.445913      4.186061
  H      -3.045858      5.002095      2.520283
  H      -3.742609      6.649380      2.581738
  H      -5.872739      7.271700      3.204019
  H      -8.233519      8.027744      3.097497
  H     -10.466368      5.297179      0.128116
  H      -9.748370      3.328631     -1.324199
  H      -7.341322      2.535702     -1.236043
  H      -7.111025      1.865145      7.234159
  H      -6.848572      2.018837      5.492393
  H      -6.211656      4.499190      6.022773
  H      -7.115200      4.274013      7.517320
  H      -8.551168      5.200144      5.713035
  H      -9.150186      3.606257      6.203290
  H     -10.629765      4.775507      4.471437
  H     -12.446579      4.056628      2.962570
  H     -10.801447      0.623018      0.330186
  H      -8.572814     -0.590073      0.211467
  H      -6.769506      0.087601      1.802777
  N      -4.964722      2.180835      3.552540
  H      -4.591568      2.556212      2.667860
  H      -5.966511      1.992440      3.419541
101
Coordinates from ORCA-job orca E -6430.111495442208
  N      -3.072188      0.183326      4.970985
  Mo     -3.804524      2.016048      5.201577
  N      -5.123142      2.239526      6.663316
  C      -4.628158      2.401865      8.024259
  C      -3.355519      1.579486      8.192759
  N      -2.439517      1.808926      7.050354
  C      -1.546664      0.649376      6.806888
  C      -2.302120     -0.429007      6.048622
  C      -1.665237      3.070358      7.152601
  C      -1.363044      3.542693      5.737557
  N      -2.591904      3.665309      4.955299
  H      -1.564445     -1.163723      5.651986
  H      -2.975206     -1.007369      6.730298
  H      -0.709674      1.003319      6.186984
  H      -1.131133      0.268320      7.756051
  H      -0.817075      4.497469      5.781272
  H      -0.697308      2.827382      5.248631
  H      -2.294170      3.806973      7.657758
  H      -0.755273      2.928729      7.758496
  H      -5.380377      2.045227      8.756082
  H      -4.435211      3.467471      8.274665
  H      -3.626489      0.513231      8.180969
  H      -2.851284      1.800473      9.150838
  C      -3.624946     -0.839772      4.087223
  C      -2.675133     -1.183617      2.934545
  C      -2.755320     -0.157824      1.825060
  O      -4.056519     -0.368154      1.172200
  C      -4.360098      0.217325     -0.002940
  C      -5.233442     -0.484937     -0.825547
  C      -5.636324      0.066662     -2.047434
  N      -5.241039      1.248632     -2.514823
  C      -4.396720      1.963289     -1.719197
  C      -3.966812      3.242831     -2.160658
  C      -3.163041      4.010663     -1.348298
  C      -2.794727      3.498296     -0.087205
  N      -3.148806      2.299868      0.362375
  C      -3.928098      1.517612     -0.437075
  C      -3.193392      4.982219      5.180446
  C      -4.386649      5.311393      4.277646
  C      -3.996462      5.616351      2.831078
  O      -4.966451      5.151860      1.860607
  C      -6.206574      5.664722      1.847825
  C      -6.654767      6.762765      2.562882
  C      -7.987803      7.165638      2.436475
  N      -8.883710      6.590251      1.672130
  C      -8.452972      5.527818      0.933020
  C      -9.341541      4.887375      0.059173
  C      -8.908191      3.818182     -0.690636
  C      -7.587931      3.386054     -0.564987
  N      -6.721421      3.951901      0.238865
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  C      -6.553572      2.455012      6.493589
  C      -6.966797      3.952309      6.505563
  C      -8.270583      4.200267      5.761486
  O      -8.084235      3.644747      4.422534
  C      -9.175662      3.332544      3.689913
  C     -10.425388      3.956618      3.781838
  C     -11.458976      3.543284      2.916519
  N     -11.345036      2.580395      2.003494
  C     -10.121446      1.946331      1.909632
  C      -9.920785      0.904359      0.953731
  C      -8.676886      0.260690      0.864705
  C      -7.649971      0.647026      1.749353
  N      -7.794386      1.617910      2.655942
  C      -8.999428      2.275533      2.732865
  H      -3.835323     -1.746600      4.676150
  H      -4.579943     -0.489398      3.672886
  H      -1.634647     -1.207319      3.312196
  H      -2.900467     -2.182139      2.522873
  H      -1.961103     -0.305771      1.070199
  H      -2.691590      0.872614      2.218749
  H      -5.580886     -1.475502     -0.519598
  H      -6.317459     -0.504514     -2.683540
  H      -4.305192      3.588571     -3.136113
  H      -2.822147      5.003926     -1.652456
  H      -2.174946      4.105666      0.582206
  H      -2.410577      5.753400      5.047886
  H      -3.533029      5.095455      6.230075
  H      -4.933412      6.153752      4.724053
  H      -5.063731      4.450432      4.248175
  H      -3.089887      5.055373      2.562609
  H      -3.806232      6.686468      2.668720
  H      -6.002229      7.315641      3.219521
  H      -8.327559      8.023205      3.015452
  H     -10.350339      5.258003      0.008601
  H      -9.566889      3.296306     -1.363119
  H      -7.226961      2.537657     -1.157002
  H      -7.121631      1.901015      7.277951
  H      -6.843804      2.029129      5.522646
  H      -6.162490      4.534953      6.013867
  H      -7.077028      4.348342      7.534914
  H      -8.487023      5.295893      5.706983
  H      -9.139230      3.684029      6.248622
  H     -10.605335      4.779652      4.476394
  H     -12.439246      4.050450      2.981228
  H     -10.755027      0.646932      0.301837
  H      -8.478886     -0.536427      0.128993
  H      -6.665408      0.144486      1.720965
  N      -4.975842      2.205057      3.588482
  H      -4.613163      2.596443      2.718318
  H      -5.984499      2.020793      3.459572
101
Coordinates from ORCA-job orca E -6430.113317443839
  N      -3.045284      0.189460      4.986064
  Mo     -3.796173      2.014421      5.226788
  N      -5.129513      2.221290      6.673025
  C      -4.647328      2.380971      8.037926
  C      -3.371143      1.569437      8.223091
  N      -2.448622      1.810753      7.091846
  C      -1.541268      0.661548      6.853609
  C      -2.271529     -0.415278      6.076902
  C      -1.688880      3.075469      7.205908
  C      -1.374606      3.545202      5.785633
  N      -2.599630      3.668363      4.989064
  H      -1.518335     -1.132274      5.688359
  H      -2.938940     -1.004300      6.749169
  H      -0.703473      1.028634      6.245848
  H      -1.129715      0.278160      7.806317
  H      -0.831957      4.502850      5.826527
  H      -0.696114      2.821161      5.307351
  H      -2.331982      3.814872      7.703004
  H      -0.782791      2.934757      7.829394
  H      -5.400069      2.016634      8.759363
  H      -4.467801      3.444526      8.292812
  H      -3.628973      0.502906      8.206657
  H      -2.879589      1.790826      9.187479
  C      -3.581631     -0.836024      4.074208
  C      -2.632479     -1.141929      2.902932
  C      -2.736093     -0.090002      1.809171
  O      -4.035383     -0.312969      1.182750
  C      -4.386859      0.263657      0.014118
  C      -5.263191     -0.457555     -0.783635
  C      -5.701496      0.068102     -2.005943
  N      -5.335408      1.242850     -2.496371
  C      -4.493699      1.977826     -1.721719
  C      -4.094856      3.250882     -2.181733
  C      -3.291229      4.032415     -1.394006
  C      -2.889945      3.537148     -0.137348
  N      -3.215715      2.351929      0.329265
  C      -3.994572      1.558948     -0.443919
  C      -3.208469      4.984244      5.197232
  C      -4.379266      5.305762      4.273326
  C      -3.952872      5.597190      2.840094
  O      -4.903952      5.132339      1.852114
  C      -6.125987      5.673016      1.817582
  C      -6.538307      6.793379      2.516456
  C      -7.865983      7.225517      2.388867
  N      -8.788201      6.656914      1.633926
  C      -8.393007      5.571054      0.912688
  C      -9.325682      4.928935      0.065787
  C      -8.939693      3.836887     -0.657992
  C      -7.617552      3.383982     -0.534791
  N      -6.708783      3.948525      0.244139
  C      -7.080209      5.028033      0.960842
  C      -6.554464      2.419124      6.477212
  C      -7.002985      3.887395      6.501128
  C      -8.289840      4.127149      5.726444
  O      -8.064868      3.611611      4.400072
  C      -9.130837      3.319424      3.640321
  C     -10.341026      3.960647      3.696846
  C     -11.352787      3.558369      2.809110
  N     -11.262657      2.583364      1.917284
  C     -10.084982      1.929765      1.868447
  C      -9.926326      0.865111      0.958284
  C      -8.737475      0.198871      0.922722
  C      -7.707878      0.587362      1.803614
  N      -7.812130      1.577497      2.671355
  C      -8.974097      2.254668      2.703003
  H      -3.783338     -1.769166      4.646273
  H      -4.538013     -0.491387      3.669532
  H      -1.593351     -1.162766      3.266751
  H      -2.846765     -2.137978      2.478572
  H      -1.957386     -0.216683      1.041361
  H      -2.679417      0.932143      2.202108
  H      -5.584662     -1.443215     -0.455865
  H      -6.384781     -0.521786     -2.622839
  H      -4.457447      3.579349     -3.153873
  H      -2.974825      5.021563     -1.714192
  H      -2.272701      4.148466      0.515408
  H      -2.427095      5.755422      5.068823
  H      -3.563842      5.102789      6.241300
  H      -4.930806      6.149800      4.700833
  H      -5.055533      4.443660      4.239496
  H      -3.046966      5.024029      2.603185
  H      -3.747040      6.667175      2.671632
  H      -5.862175      7.341264      3.166863
  H      -8.178252      8.102071      2.958972
  H     -10.338891      5.317155      0.023764
  H      -9.638938      3.310844     -1.310172
  H      -7.299348      2.518460     -1.098295
  H      -7.113351      1.849868      7.237171
  H      -6.827566      2.006097      5.497171
  H      -6.218598      4.489347      6.050413
  H      -7.132995      4.249339      7.522613
  H      -8.540197      5.200991      5.679282
  H      -9.136550      3.589508      6.167029
  H     -10.507366      4.788569      4.383303
  H     -12.296686      4.083297      2.839300
  H     -10.760975      0.601859      0.306903
  H      -8.579923     -0.618321      0.229633
  H      -6.756662      0.065900      1.807538
  N      -4.939075      2.197882      3.607175
  H      -4.580775      2.597432      2.756740
  H      -5.940325      1.992836      3.461933
101
Coordinates from ORCA-job orca E -6430.112042477296
  N      -3.066020      0.169418      4.992239
  Mo     -3.797192      2.007399      5.206410
  N      -5.144377      2.249195      6.650937
  C      -4.667819      2.430255      8.019732
  C      -3.399152      1.600053      8.220417
  N      -2.464755      1.812000      7.080811
  C      -1.567150      0.644477      6.858348
  C      -2.303801     -0.434634      6.090205
  C      -1.687524      3.076284      7.179808
  C      -1.351782      3.532166      5.741192
  N      -2.576355      3.665512      4.944148
  H      -1.559730     -1.157575      5.707487
  H      -2.972582     -1.010780      6.761989
  H      -0.723760      0.998362      6.248368
  H      -1.162801      0.266225      7.816621
  H      -0.791598      4.497285      5.766853
  H      -0.672853      2.782339      5.263912
  H      -2.329407      3.838500      7.670380
  H      -0.785232      2.926985      7.808671
  H      -5.431502      2.085375      8.751293
  H      -4.477097      3.503432      8.255320
  H      -3.672340      0.530917      8.222639
  H      -2.908388      1.832772      9.183726
  C      -3.611776     -0.848885      4.074689
  C      -2.654441     -1.167016      2.905701
  C      -2.716196     -0.122939      1.808585
  O      -4.002014     -0.298152      1.166231
  C      -4.326248      0.305091      0.004984
  C      -5.239697     -0.366945     -0.804756
  C      -5.680449      0.211412     -2.007852
  N      -5.282173      1.388912     -2.470816
  C      -4.392876      2.071144     -1.690105
  C      -3.953085      3.343459     -2.126043
  C      -3.095973      4.072717     -1.332857
  C      -2.681169      3.528210     -0.093807
  N      -3.049085      2.342654      0.352055
  C      -3.883558      1.598439     -0.428209
  C      -3.164123      5.004968      5.131860
  C      -4.329049      5.322287      4.202626
  C      -3.886893      5.578103      2.766852
  O      -4.847019      5.097796      1.795165
  C      -6.074921      5.643779      1.791987
  C      -6.459059      6.768042      2.516672
  C      -7.814136      7.209087      2.457299
  N      -8.791466      6.639464      1.744879
  C      -8.423448      5.550385      0.996037
  C      -9.421628      4.906824      0.196994
  C      -9.061448      3.811522     -0.559205
  C      -7.694128      3.359096     -0.514983
  N      -6.730465      3.921079      0.225127
  C      -7.079036      5.002082      0.971723
  C      -6.574237      2.460440      6.462651
  C      -7.007632      3.954759      6.452183
  C      -8.313192      4.167554      5.694443
  O      -8.131069      3.605013      4.356447
  C      -9.222129      3.278929      3.624998
  C     -10.471700      3.890067      3.697657
  C     -11.509471      3.448612      2.837116
  N     -11.406369      2.466432      1.955356
  C     -10.186745      1.841738      1.890363
  C     -10.006594      0.770511      0.988422
  C      -8.779388      0.129630      0.943596
  C      -7.737550      0.551098      1.807396
  N      -7.856063      1.552122      2.660565
  C      -9.053552      2.203420      2.701165
  H      -3.837203     -1.776003      4.646358
  H      -4.560539     -0.489019      3.655319
  H      -1.626978     -1.205711      3.281520
  H      -2.884427     -2.150075      2.474129
  H      -1.939425     -0.262241      1.045782
  H      -2.637300      0.883446      2.212362
  H      -5.594069     -1.352983     -0.501799
  H      -6.397320     -0.336011     -2.631234
  H      -4.326846      3.713336     -3.085060
  H      -2.745416      5.058817     -1.634114
  H      -2.014685      4.100149      0.560547
  H      -2.361669      5.768549      4.983677
  H      -3.525724      5.157860      6.180345
  H      -4.873196      6.188272      4.612085
  H      -5.025488      4.460412      4.184224
  H      -2.987186      4.994784      2.542530
  H      -3.670675      6.646995      2.577548
  H      -5.742723      7.311545      3.143052
  H      -8.104104      8.089542      3.051978
  H     -10.460800      5.297113      0.214645
  H      -9.810762      3.283559     -1.177574
  H      -7.385449      2.493397     -1.110512
  H      -7.139468      1.911450      7.255228
  H      -6.857097      2.018679      5.491623
  H      -6.214829      4.550696      5.954364
  H      -7.121400      4.360980      7.486126
  H      -8.551140      5.248021      5.626161
  H      -9.161907      3.638353      6.183040
  H     -10.651592      4.721467      4.376465
  H     -12.488585      3.947433      2.884225
  H     -10.851407      0.482285      0.349724
  H      -8.604224     -0.694302      0.259141
  H      -6.764420      0.047328      1.808256
  N      -4.928359      2.179227      3.573468
  H      -4.549807      2.569600      2.693580
  H      -5.928521      1.981761      3.429939
101
Coordinates from ORCA-job orca E -6430.111984176879
  N      -3.073020      0.165981      4.990097
  Mo     -3.816451      2.002158      5.205017
  N      -5.130550      2.228572      6.668966
  C      -4.629436      2.414740      8.026704
  C      -3.352927      1.605737      8.201033
  N      -2.449375      1.824447      7.050942
  C      -1.556354      0.672357      6.812424
  C      -2.302532     -0.414652      6.059086
  C      -1.680372      3.092359      7.134537
  C      -1.386721      3.543506      5.701884
  N      -2.616356      3.655854      4.925476
  H      -1.580236     -1.131411      5.663884
  H      -2.946755     -0.981527      6.730907
  H      -0.731906      1.029065      6.192030
  H      -1.132881      0.304024      7.760366
  H      -0.836597      4.503964      5.724928
  H      -0.724606      2.815772      5.215157
  H      -2.307592      3.835893      7.633283
  H      -0.768372      2.962123      7.739435
  H      -5.372148      2.062936      8.766618
  H      -4.442714      3.482992      8.260571
  H      -3.616977      0.540144      8.204650
  H      -2.842675      1.842443      9.154173
  C      -3.609706     -0.864760      4.104727
  C      -2.653586     -1.197446      2.943546
  C      -2.729802     -0.166842      1.838298
  O      -4.024291     -0.342409      1.185881
  C      -4.320563      0.268662      0.017876
  C      -5.229800     -0.395764     -0.809588
  C      -5.638007      0.192649     -2.024528
  N      -5.212236      1.373399     -2.481770
  C      -4.326938      2.050435     -1.685627
  C      -3.863788      3.330666     -2.120108
  C      -3.011139      4.061908     -1.311169
  C      -2.622759      3.512806     -0.059618
  N      -3.012559      2.313392      0.386034
  C      -3.847035      1.566974     -0.409406
  C      -3.205071      4.985033      5.121293
  C      -4.390701      5.300930      4.210119
  C      -3.981056      5.565003      2.762654
  O      -4.949248      5.092113      1.802652
  C      -6.179802      5.627776      1.796111
  C      -6.588483      6.743779      2.520841
  C      -7.926859      7.176700      2.432789
  N      -8.862551      6.611798      1.690161
  C      -8.469485      5.534135      0.936525
  C      -9.405328      4.904808      0.087832
  C      -9.010321      3.819164     -0.680973
  C      -7.681058      3.359110     -0.595848
  N      -6.773863      3.912168      0.187283
  C      -7.147083      4.988472      0.945945
  C      -6.564699      2.422509      6.500947
  C      -6.996748      3.901966      6.498100
  C      -8.302334      4.138834      5.756535
  O      -8.123757      3.602257      4.459384
  C      -9.199661      3.309992      3.713489
  C     -10.429606      3.957565      3.793569
  C     -11.458930      3.560972      2.922106
  N     -11.363547      2.591291      2.015923
  C     -10.158977      1.932523      1.932449
  C      -9.984447      0.876815      0.988948
  C      -8.769202      0.203389      0.915452
  C      -7.739456      0.577057      1.797636
  N      -7.856596      1.561373      2.692550
  C      -9.038760      2.245945      2.758727
  H      -3.814670     -1.774758      4.684756
  H      -4.571486     -0.517117      3.696436
  H      -1.612965     -1.223030      3.317285
  H      -2.878340     -2.196524      2.529369
  H      -1.943065     -0.312130      1.083213
  H      -2.658198      0.852377      2.236380
  H      -5.606501     -1.383022     -0.513385
  H      -6.350981     -0.347077     -2.662483
  H      -4.216926      3.706961     -3.089353
  H      -2.645233      5.054993     -1.611098
  H      -1.958772      4.094831      0.605088
  H      -2.410250      5.747493      4.962005
  H      -3.545219      5.135198      6.173486
  H      -4.931064      6.163249      4.632315
  H      -5.084621      4.439501      4.202239
  H      -3.085078      4.986458      2.516892
  H      -3.773151      6.632304      2.573443
  H      -5.902309      7.288443      3.163870
  H      -8.234522      8.049243      3.023757
  H     -10.417554      5.296064      0.070049
  H      -9.705517      3.307020     -1.336299
  H      -7.348985      2.495834     -1.202407
  H      -7.118887      1.873585      7.288347
  H      -6.858035      1.986391      5.544486
  H      -6.200433      4.481294      6.007336
  H      -7.107603      4.300062      7.515814
  H      -8.535031      5.199587      5.689699
  H      -9.148551      3.636012      6.224903
  H     -10.597764      4.783935      4.483384
  H     -12.422681      4.088426      2.978258
  H     -10.819965      0.627946      0.339480
  H      -8.596478     -0.608539      0.194072
  H      -6.777193      0.050270      1.778472
  N      -4.990217      2.166212      3.588074
  H      -4.624866      2.574288      2.679429
  H      -5.988704      1.957212      3.464623
101
Coordinates from ORCA-job orca E -6430.112648980831
  N      -3.083062      0.184996      4.980164
  Mo     -3.809071      2.017068      5.214043
  N      -5.126388      2.240151      6.670730
  C      -4.632320      2.405427      8.030086
  C      -3.362037      1.584635      8.207540
  N      -2.445673      1.808461      7.065158
  C      -1.557373      0.641140      6.829483
  C      -2.314293     -0.436236      6.069789
  C      -1.668821      3.068350      7.158505
  C      -1.362251      3.526846      5.736816
  N      -2.594235      3.661413      4.957570
  H      -1.564201     -1.182877      5.681107
  H      -3.004192     -1.014390      6.760674
  H      -0.712129      0.988461      6.210716
  H      -1.149547      0.259177      7.784356
  H      -0.811310      4.475255      5.769325
  H      -0.701287      2.801039      5.255547
  H      -2.297834      3.813642      7.655367
  H      -0.760219      2.921512      7.770247
  H      -5.381926      2.053421      8.760352
  H      -4.440742      3.468922      8.273604
  H      -3.629038      0.519385      8.199980
  H      -2.860331      1.808210      9.166415
  C      -3.624419     -0.828758      4.080363
  C      -2.674206     -1.145976      2.926783
  C      -2.758382     -0.104486      1.828849
  O      -4.048649     -0.323239      1.180356
  C      -4.370297      0.253934      0.009089
  C      -5.241470     -0.459019     -0.799607
  C      -5.653918      0.069834     -2.021260
  N      -5.267302      1.241009     -2.501220
  C      -4.429503      1.967091     -1.716323
  C      -4.010032      3.236392     -2.167156
  C      -3.205560      4.008492     -1.370608
  C      -2.825036      3.509276     -0.116339
  N      -3.173118      2.325022      0.344218
  C      -3.953601      1.542286     -0.437858
  C      -3.177899      4.987070      5.175347
  C      -4.366536      5.328018      4.275633
  C      -3.968051      5.614659      2.827652
  O      -4.947267      5.162840      1.851168
  C      -6.181130      5.692315      1.833298
  C      -6.622792      6.796551      2.545075
  C      -7.958359      7.197292      2.427684
  N      -8.862747      6.618242      1.673428
  C      -8.438573      5.552228      0.937732
  C      -9.342789      4.902132      0.082959
  C      -8.916590      3.832796     -0.664825
  C      -7.588732      3.408189     -0.553152
  N      -6.709504      3.979375      0.234557
  C      -7.116702      5.039554      0.972961
  C      -6.551912      2.443939      6.484677
  C      -6.983699      3.916021      6.499442
  C      -8.284123      4.150126      5.744798
  O      -8.080033      3.609977      4.417111
  C      -9.154074      3.306559      3.667166
  C     -10.385545      3.930360      3.746476
  C     -11.402371      3.522960      2.867711
  N     -11.292992      2.559605      1.958516
  C     -10.092184      1.922636      1.883198
  C      -9.911126      0.871006      0.947254
  C      -8.701138      0.220085      0.884044
  C      -7.677220      0.610724      1.764793
  N      -7.802296      1.589942      2.654557
  C      -8.982166      2.252379      2.712206
  H      -3.831345     -1.749033      4.655809
  H      -4.577053     -0.479098      3.667922
  H      -1.637932     -1.172226      3.307803
  H      -2.889484     -2.140223      2.504714
  H      -1.968287     -0.238050      1.072682
  H      -2.701367      0.919578      2.224483
  H      -5.578808     -1.440008     -0.480359
  H      -6.333624     -0.511414     -2.646932
  H      -4.355878      3.568921     -3.138440
  H      -2.872992      4.993076     -1.684652
  H      -2.204159      4.113906      0.540251
  H      -2.384495      5.744664      5.030526
  H      -3.510497      5.114236      6.226372
  H      -4.894701      6.181012      4.720796
  H      -5.057908      4.480203      4.256055
  H      -3.069035      5.027746      2.565275
  H      -3.751980      6.682105      2.658988
  H      -5.965078      7.352018      3.197302
  H      -8.294503      8.057546      3.007079
  H     -10.360849      5.264844      0.045943
  H      -9.589884      3.306573     -1.325590
  H      -7.236400      2.560543     -1.140009
  H      -7.110439      1.888130      7.254298
  H      -6.832893      2.023285      5.514082
  H      -6.196778      4.509004      6.026182
  H      -7.094583      4.290910      7.520455
  H      -8.518322      5.229300      5.686155
  H      -9.137670      3.623276      6.213739
  H     -10.565705      4.747385      4.446173
  H     -12.367831      4.032032      2.920268
  H     -10.744188      0.606803      0.299470
  H      -8.525829     -0.587691      0.169118
  H      -6.710605      0.104047      1.749370
  N      -4.968105      2.218923      3.601814
  H      -4.624750      2.613017      2.760968
  H      -5.972922      2.018832      3.465418
101
Coordinates from ORCA-job orca E -6430.114938771882
  N      -3.061332      0.169549      5.004480
  Mo     -3.811344      1.998684      5.227938
  N      -5.145178      2.217632      6.673849
  C      -4.658033      2.400120      8.036750
  C      -3.383924      1.585987      8.230196
  N      -2.466413      1.810858      7.092448
  C      -1.561103      0.661299      6.864577
  C      -2.287366     -0.417938      6.091719
  C      -1.703855      3.073629      7.193521
  C      -1.392977      3.531203      5.767461
  N      -2.617761      3.652285      4.971356
  H      -1.545009     -1.124056      5.704096
  H      -2.940395     -1.000643      6.759003
  H      -0.726845      1.025422      6.257047
  H      -1.149317      0.285956      7.820062
  H      -0.846833      4.487099      5.800200
  H      -0.719045      2.800737      5.290528
  H      -2.343482      3.818273      7.686518
  H      -0.796324      2.937429      7.816014
  H      -5.410069      2.051401      8.768358
  H      -4.471574      3.468722      8.271074
  H      -3.645501      0.520187      8.228928
  H      -2.887572      1.819565      9.189754
  C      -3.573183     -0.862174      4.078287
  C      -2.586178     -1.147318      2.915876
  C      -2.678668     -0.086396      1.831073
  O      -3.969995     -0.322934      1.179841
  C      -4.320073      0.270948      0.020081
  C      -5.222441     -0.426496     -0.774460
  C      -5.698631      0.138910     -1.973110
  N      -5.342928      1.327649     -2.446197
  C      -4.462074      2.031894     -1.681315
  C      -4.066720      3.315225     -2.126953
  C      -3.215321      4.063578     -1.351858
  C      -2.761397      3.525640     -0.122170
  N      -3.089227      2.332711      0.333153
  C      -3.919058      1.572444     -0.426752
  C      -3.210894      4.979062      5.153562
  C      -4.367868      5.292816      4.217558
  C      -3.920739      5.554671      2.786999
  O      -4.875531      5.087605      1.804973
  C      -6.091259      5.650834      1.785553
  C      -6.460917      6.785328      2.493625
  C      -7.795523      7.243555      2.410295
  N      -8.765309      6.684357      1.688304
  C      -8.410469      5.589251      0.951018
  C      -9.395419      4.962185      0.132759
  C      -9.050585      3.862607     -0.611897
  C      -7.715355      3.388368     -0.537234
  N      -6.760294      3.934802      0.218356
  C      -7.091403      5.021371      0.953861
  C      -6.572932      2.426570      6.489051
  C      -6.994843      3.920361      6.467186
  C      -8.286964      4.152299      5.698981
  O      -8.086833      3.567385      4.375060
  C      -9.171669      3.275639      3.633049
  C     -10.395633      3.906827      3.707984
  C     -11.430594      3.493359      2.839285
  N     -11.344539      2.521563      1.945491
  C     -10.146733      1.881307      1.874789
  C      -9.979859      0.824850      0.953864
  C      -8.766363      0.173333      0.892351
  C      -7.726945      0.567509      1.763982
  N      -7.836811      1.551696      2.638762
  C      -9.019186      2.213833      2.692592
  H      -3.775704     -1.799614      4.640956
  H      -4.532491     -0.530803      3.656456
  H      -1.549041     -1.153608      3.301097
  H      -2.779997     -2.147090      2.471037
  H      -1.872146     -0.189497      1.071909
  H      -2.647053      0.938927      2.248925
  H      -5.543280     -1.420870     -0.460885
  H      -6.409746     -0.427509     -2.583815
  H      -4.469190      3.677667     -3.078596
  H      -2.898976      5.059355     -1.661149
  H      -2.097055      4.110219      0.516909
  H      -2.419956      5.740046      5.007527
  H      -3.570323      5.126638      6.194766
  H      -4.914391      6.150393      4.623328
  H      -5.054507      4.434132      4.193748
  H      -3.023105      4.966352      2.566646
  H      -3.700575      6.621056      2.602187
  H      -5.746235      7.324324      3.123007
  H      -8.073938      8.131477      2.990957
  H     -10.412290      5.369490      0.125556
  H      -9.790764      3.347630     -1.245160
  H      -7.423170      2.519600     -1.124514
  H      -7.137881      1.887555      7.282868
  H      -6.859703      1.979812      5.522945
  H      -6.192944      4.498443      5.977862
  H      -7.115897      4.329992      7.489929
  H      -8.509207      5.241997      5.611816
  H      -9.152311      3.646586      6.185557
  H     -10.559464      4.733170      4.394961
  H     -12.390778      4.007486      2.888800
  H     -10.821082      0.558671      0.309327
  H      -8.598592     -0.638303      0.188278
  H      -6.759276      0.057124      1.749540
  N      -4.951772      2.175845      3.600014
  H      -4.589937      2.576844      2.734864
  H      -5.947809      1.953654      3.452668
101
Coordinates from ORCA-job orca E -6430.112371627431
  N      -3.096889      0.161885      4.998360
  Mo     -3.804629      2.010788      5.204674
  N      -5.135318      2.264477      6.661515
  C      -4.642623      2.463567      8.022360
  C      -3.377315      1.628418      8.216382
  N      -2.454773      1.816640      7.062469
  C      -1.578161      0.632971      6.841541
  C      -2.341301     -0.447370      6.093173
  C      -1.657614      3.074103      7.137899
  C      -1.337951      3.514986      5.694620
  N      -2.572271      3.655103      4.918833
  H      -1.611726     -1.196577      5.711318
  H      -3.019519     -1.004823      6.778549
  H      -0.732835      0.966845      6.221030
  H      -1.172490      0.260242      7.799649
  H      -0.759691      4.473457      5.707979
  H      -0.679158      2.755291      5.208788
  H      -2.280786      3.846292      7.631669
  H      -0.748880      2.923382      7.751940
  H      -5.400057      2.133925      8.767457
  H      -4.440365      3.538140      8.240113
  H      -3.662120      0.561606      8.233982
  H      -2.870462      1.868300      9.169891
  C      -3.645027     -0.841302      4.087069
  C      -2.706037     -1.170353      2.929838
  C      -2.746189     -0.138095      1.830028
  O      -4.012612     -0.274126      1.168602
  C      -4.309887      0.342591      0.007135
  C      -5.231667     -0.309642     -0.813638
  C      -5.650536      0.281005     -2.017278
  N      -5.226884      1.455087     -2.470883
  C      -4.329059      2.119809     -1.682536
  C      -3.867354      3.392194     -2.110446
  C      -2.998531      4.107014     -1.312015
  C      -2.590860      3.547230     -0.077278
  N      -2.980482      2.359939      0.362288
  C      -3.832689      1.630419     -0.420535
  C      -3.138231      5.002023      5.104025
  C      -4.324912      5.322769      4.195841
  C      -3.915034      5.569780      2.746923
  O      -4.891380      5.086212      1.795672
  C      -6.121678      5.620945      1.796732
  C      -6.515440      6.744865      2.505815
  C      -7.861989      7.171918      2.435741
  N      -8.819460      6.591300      1.723020
  C      -8.440777      5.505965      0.984970
  C      -9.406559      4.859348      0.170700
  C      -9.030494      3.769770     -0.580277
  C      -7.686177      3.323664     -0.512706
  N      -6.749976      3.890435      0.239557
  C      -7.108912      4.968608      0.978652
  C      -6.568040      2.464185      6.483054
  C      -7.015395      3.938658      6.456435
  C      -8.325073      4.141366      5.704569
  O      -8.159129      3.580192      4.405868
  C      -9.242783      3.265488      3.668465
  C     -10.493394      3.881085      3.749498
  C     -11.528621      3.450262      2.885780
  N     -11.424555      2.474589      1.992530
  C     -10.204031      1.845591      1.915203
  C     -10.025119      0.780776      0.997835
  C      -8.796749      0.135835      0.936540
  C      -7.753950      0.546930      1.802006
  N      -7.873508      1.540760      2.671501
  C      -9.071146      2.196617      2.727633
  H      -3.875788     -1.758792      4.657951
  H      -4.588091     -0.469400      3.668133
  H      -1.694236     -1.231739      3.311907
  H      -2.950186     -2.131628      2.505511
  H      -1.983260     -0.290419      1.085222
  H      -2.649192      0.845287      2.227043
  H      -5.608810     -1.291785     -0.519244
  H      -6.372661     -0.251404     -2.648597
  H      -4.234341      3.774621     -3.067274
  H      -2.633316      5.093794     -1.607237
  H      -1.910018      4.108909      0.577995
  H      -2.329151      5.752771      4.933646
  H      -3.474944      5.170288      6.158161
  H      -4.858880      6.192527      4.613494
  H      -5.026235      4.464606      4.197015
  H      -3.023579      4.983960      2.507802
  H      -3.699924      6.634006      2.545653
  H      -5.812203      7.300627      3.124691
  H      -8.158408      8.051269      3.016176
  H     -10.429397      5.244317      0.167774
  H      -9.749785      3.242505     -1.211713
  H      -7.369606      2.460677     -1.104371
  H      -7.120497      1.926441      7.280399
  H      -6.858378      2.007439      5.527021
  H      -6.233353      4.524249      5.964650
  H      -7.128814      4.342048      7.472204
  H      -8.570515      5.194617      5.617708
  H      -9.156766      3.632701      6.184094
  H     -10.674949      4.708815      4.435122
  H     -12.505733      3.953059      2.940778
  H     -10.871780      0.500644      0.360092
  H      -8.622427     -0.683356      0.239116
  H      -6.781356      0.041300      1.790518
  N      -4.954114      2.189430      3.580155
  H      -4.577316      2.592427      2.676859
  H      -5.953932      1.979449      3.447280
101
Coordinates from ORCA-job orca E -6430.113465731934
  N      -3.091081      0.163856      5.006524
  Mo     -3.820058      2.000061      5.224002
  N      -5.127031      2.235551      6.693628
  C      -4.620559      2.431110      8.049799
  C      -3.347340      1.614655      8.223982
  N      -2.443352      1.819972      7.063528
  C      -1.559831      0.647808      6.832895
  C      -2.322631     -0.438464      6.090369
  C      -1.661270      3.087075      7.132028
  C      -1.362906      3.528225      5.690868
  N      -2.601016      3.651448      4.926242
  H      -1.589477     -1.188646      5.703772
  H      -2.998555     -0.999629      6.784289
  H      -0.720230      0.986450      6.206259
  H      -1.145942      0.277329      7.787108
  H      -0.800753      4.488696      5.702002
  H      -0.705014      2.785882      5.201837
  H      -2.286630      3.847392      7.626785
  H      -0.749776      2.950091      7.738510
  H      -5.363132      2.089205      8.798594
  H      -4.427688      3.503408      8.270805
  H      -3.618598      0.547031      8.235965
  H      -2.833021      1.853786      9.174122
  C      -3.631229     -0.852692      4.100057
  C      -2.670670     -1.170532      2.934091
  C      -2.749478     -0.122033      1.837274
  O      -4.046612     -0.326327      1.175383
  C      -4.345133      0.271195      0.005354
  C      -5.240386     -0.414205     -0.814168
  C      -5.630840      0.141694     -2.033372
  N      -5.200941      1.311947     -2.502274
  C      -4.334440      2.012008     -1.712434
  C      -3.865063      3.279508     -2.158791
  C      -3.023696      4.029652     -1.358930
  C      -2.653750      3.511960     -0.105720
  N      -3.050554      2.325210      0.352240
  C      -3.873859      1.561274     -0.433082
  C      -3.174962      4.991447      5.123468
  C      -4.371445      5.322075      4.227847
  C      -3.981196      5.586826      2.772311
  O      -4.969083      5.126887      1.815223
  C      -6.206309      5.658963      1.814382
  C      -6.640345      6.766686      2.548614
  C      -7.984980      7.182770      2.458622
  N      -8.903920      6.612600      1.708107
  C      -8.486227      5.545676      0.945590
  C      -9.404941      4.912626      0.088128
  C      -8.978617      3.844649     -0.698720
  C      -7.635321      3.402150     -0.620372
  N      -6.747404      3.956921      0.174503
  C      -7.153687      5.017243      0.951041
  C      -6.559373      2.431514      6.532134
  C      -6.994210      3.910731      6.518787
  C      -8.302717      4.129203      5.773288
  O      -8.116346      3.562037      4.458124
  C      -9.192914      3.274912      3.709639
  C     -10.423309      3.914848      3.800160
  C     -11.435179      3.532583      2.914668
  N     -11.325684      2.579821      1.988837
  C     -10.130852      1.925092      1.902139
  C      -9.954965      0.882028      0.947007
  C      -8.757965      0.209858      0.874745
  C      -7.738007      0.574461      1.763900
  N      -7.854393      1.546350      2.669819
  C      -9.024984      2.227616      2.738443
  H      -3.842534     -1.777912      4.668346
  H      -4.587009     -0.498821      3.692776
  H      -1.626837     -1.194970      3.306105
  H      -2.889473     -2.174737      2.511027
  H      -1.942927     -0.254027      1.083785
  H      -2.696705      0.910469      2.243127
  H      -5.615367     -1.394870     -0.506018
  H      -6.329916     -0.415881     -2.666552
  H      -4.202005      3.629957     -3.129331
  H      -2.653373      5.012178     -1.669342
  H      -1.997928      4.105605      0.551771
  H      -2.371573      5.746474      4.953406
  H      -3.502285      5.148071      6.180238
  H      -4.894855      6.189244      4.663866
  H      -5.073983      4.471023      4.230085
  H      -3.090876      4.995647      2.508746
  H      -3.762035      6.652216      2.587697
  H      -5.972272      7.315589      3.199465
  H      -8.314198      8.046199      3.056343
  H     -10.430130      5.289087      0.076037
  H      -9.658564      3.334323     -1.364412
  H      -7.278583      2.553490     -1.240904
  H      -7.107152      1.890863      7.330232
  H      -6.857383      1.982101      5.579314
  H      -6.205746      4.496140      6.018120
  H      -7.098496      4.314236      7.539188
  H      -8.533398      5.207487      5.690475
  H      -9.152939      3.619449      6.265013
  H     -10.604195      4.723619      4.511407
  H     -12.395705      4.054552      2.975057
  H     -10.783441      0.638127      0.293324
  H      -8.590521     -0.594004      0.148645
  H      -6.785629      0.050395      1.743480
  N      -4.994778      2.182886      3.608261
  H      -4.649206      2.593605      2.729214
  H      -5.985310      1.960284      3.473888
101
Coordinates from ORCA-job orca E -6430.113391537053
  N      -3.079639      0.183297      4.993790
  Mo     -3.821638      2.009514      5.228908
  N      -5.145004      2.227253      6.675119
  C      -4.648689      2.403558      8.030931
  C      -3.376853      1.587437      8.216847
  N      -2.463806      1.809778      7.079242
  C      -1.568892      0.657565      6.844081
  C      -2.310258     -0.414921      6.070736
  C      -1.693156      3.064045      7.175913
  C      -1.390661      3.516129      5.760362
  N      -2.617859      3.645796      4.969203
  H      -1.575227     -1.123554      5.680644
  H      -2.970521     -0.995575      6.735400
  H      -0.734919      1.017923      6.235211
  H      -1.156906      0.277139      7.795314
  H      -0.843805      4.457003      5.794458
  H      -0.731340      2.794476      5.289248
  H      -2.321673      3.801183      7.666938
  H      -0.784937      2.925007      7.789810
  H      -5.397016      2.057775      8.760298
  H      -4.456884      3.466095      8.265127
  H      -3.639803      0.525652      8.213530
  H      -2.875928      1.817126      9.173866
  C      -3.577906     -0.844849      4.077864
  C      -2.588757     -1.124860      2.931953
  C      -2.690194     -0.068797      1.847725
  O      -3.972873     -0.323591      1.187482
  C      -4.324712      0.261280      0.025686
  C      -5.214018     -0.444220     -0.772260
  C      -5.681171      0.106241     -1.977081
  N      -5.329950      1.288672     -2.452587
  C      -4.463743      1.999765     -1.682587
  C      -4.073221      3.275816     -2.129556
  C      -3.235182      4.027254     -1.351919
  C      -2.790873      3.498979     -0.117957
  N      -3.115997      2.313336      0.340195
  C      -3.930152      1.552716     -0.422820
  C      -3.196820      4.973543      5.160897
  C      -4.364879      5.302894      4.237508
  C      -3.932844      5.566849      2.799873
  O      -4.897603      5.107650      1.820502
  C      -6.114972      5.661722      1.803483
  C      -6.503683      6.784649      2.510687
  C      -7.834077      7.221953      2.419289
  N      -8.782476      6.658393      1.692531
  C      -8.409261      5.575203      0.956806
  C      -9.366196      4.941909      0.130357
  C      -8.997423      3.857495     -0.615838
  C      -7.671521      3.400925     -0.532584
  N      -6.742886      3.952796      0.230929
  C      -7.095472      5.027004      0.966721
  C      -6.570648      2.431188      6.484651
  C      -6.990374      3.915123      6.462377
  C      -8.284051      4.149123      5.697422
  O      -8.086150      3.569734      4.387808
  C      -9.168617      3.282447      3.641537
  C     -10.400619      3.905917      3.728762
  C     -11.439699      3.495452      2.860248
  N     -11.349989      2.531956      1.955901
  C     -10.141306      1.898684      1.870512
  C      -9.971367      0.848340      0.938109
  C      -8.746829      0.204747      0.860753
  C      -7.701067      0.599655      1.727640
  N      -7.817184      1.575510      2.615276
  C      -9.009016      2.230577      2.684730
  H      -3.765548     -1.776158      4.639786
  H      -4.539072     -0.521406      3.656345
  H      -1.547215     -1.120162      3.329564
  H      -2.766866     -2.131048      2.488786
  H      -1.877356     -0.161737      1.096977
  H      -2.674995      0.958692      2.264637
  H      -5.529485     -1.432196     -0.457311
  H      -6.379913     -0.467244     -2.590930
  H      -4.467748      3.629360     -3.085229
  H      -2.920875      5.016585     -1.662382
  H      -2.135679      4.082653      0.520866
  H      -2.401935      5.724404      5.010990
  H      -3.539184      5.119338      6.203807
  H      -4.898626      6.163161      4.655659
  H      -5.057586      4.455829      4.214528
  H      -3.037446      4.972189      2.565918
  H      -3.708358      6.631187      2.617786
  H      -5.806020      7.327866      3.143278
  H      -8.128067      8.098515      2.997826
  H     -10.379498      5.332402      0.115391
  H      -9.714485      3.341614     -1.257218
  H      -7.363094      2.543526     -1.120664
  H      -7.131940      1.894363      7.269476
  H      -6.855170      1.991554      5.523417
  H      -6.188623      4.487697      5.977725
  H      -7.109126      4.320003      7.477210
  H      -8.505033      5.229007      5.607689
  H      -9.148702      3.650448      6.180380
  H     -10.570506      4.722629      4.427921
  H     -12.409793      4.003418      2.922840
  H     -10.820059      0.580648      0.300537
  H      -8.576935     -0.601446      0.147294
  H      -6.723749      0.096920      1.698104
  N      -4.974344      2.210698      3.615347
  H      -4.631230      2.623231      2.780869
  H      -5.973751      1.982194      3.468636
101
Coordinates from ORCA-job orca E -6430.115139911334
  N      -3.085442      0.162314      5.016689
  Mo     -3.810048      2.003529      5.226119
  N      -5.137340      2.255564      6.682303
  C      -4.644499      2.470298      8.041653
  C      -3.381458      1.635924      8.246675
  N      -2.461545      1.817613      7.093105
  C      -1.583114      0.637239      6.880500
  C      -2.335469     -0.443394      6.130963
  C      -1.671076      3.073534      7.162344
  C      -1.353988      3.504143      5.716270
  N      -2.586505      3.646665      4.938943
  H      -1.598143     -1.193916      5.759917
  H      -3.017210     -0.997754      6.818400
  H      -0.736897      0.971857      6.264288
  H      -1.181139      0.266039      7.843570
  H      -0.780353      4.455554      5.725765
  H      -0.700117      2.743080      5.235884
  H      -2.295231      3.846609      7.650611
  H      -0.762349      2.925807      7.783005
  H      -5.399491      2.149423      8.790612
  H      -4.441113      3.546332      8.247554
  H      -3.661978      0.569958      8.271772
  H      -2.877437      1.883736      9.199823
  C      -3.605663     -0.848147      4.080533
  C      -2.632680     -1.150418      2.932406
  C      -2.694036     -0.106410      1.840654
  O      -3.967012     -0.306806      1.173915
  C      -4.304696      0.295696      0.016456
  C      -5.215019     -0.391599     -0.779127
  C      -5.692570      0.186276     -1.974100
  N      -5.335463      1.381622     -2.440109
  C      -4.447128      2.076422     -1.675907
  C      -4.056679      3.370678     -2.114562
  C      -3.198643      4.114134     -1.342109
  C      -2.728108      3.557506     -0.122823
  N      -3.051898      2.354581      0.327138
  C      -3.894342      1.600868     -0.427953
  C      -3.150086      4.984479      5.131385
  C      -4.329629      5.310955      4.222611
  C      -3.909384      5.565069      2.780285
  O      -4.875853      5.085788      1.816074
  C      -6.097754      5.638287      1.813577
  C      -6.466080      6.768371      2.527147
  C      -7.799444      7.223768      2.452779
  N      -8.768841      6.664031      1.731409
  C      -8.415357      5.573292      0.988137
  C      -9.395741      4.950049      0.164455
  C      -9.047825      3.860170     -0.593341
  C      -7.719836      3.389523     -0.523891
  N      -6.767646      3.932071      0.236432
  C      -7.098977      5.009881      0.984499
  C      -6.566196      2.444489      6.498774
  C      -7.003588      3.932687      6.438331
  C      -8.303939      4.128971      5.671622
  O      -8.118879      3.517496      4.369474
  C      -9.200167      3.219763      3.628584
  C     -10.419190      3.850111      3.696489
  C     -11.442068      3.441903      2.816243
  N     -11.350245      2.475805      1.917951
  C     -10.158266      1.835688      1.853754
  C      -9.982885      0.787036      0.922975
  C      -8.774487      0.133540      0.866899
  C      -7.748745      0.519323      1.754383
  N      -7.866119      1.497245      2.637637
  C      -9.042633      2.161244      2.685468
  H      -3.834353     -1.776297      4.641055
  H      -4.551096     -0.493946      3.644337
  H      -1.616004     -1.188352      3.328027
  H      -2.846608     -2.126034      2.493443
  H      -1.902613     -0.227673      1.098587
  H      -2.642256      0.899180      2.248066
  H      -5.541620     -1.389546     -0.469732
  H      -6.408870     -0.374298     -2.585303
  H      -4.470949      3.746892     -3.059412
  H      -2.888940      5.120758     -1.646487
  H      -2.057392      4.140558      0.512209
  H      -2.346413      5.730020      4.965219
  H      -3.482771      5.146709      6.181692
  H      -4.862406      6.173012      4.643471
  H      -5.027517      4.457755      4.214888
  H      -3.015018      4.978979      2.553268
  H      -3.692771      6.628757      2.580700
  H      -5.748941      7.309225      3.152554
  H      -8.075325      8.109742      3.037464
  H     -10.406919      5.355892      0.161049
  H      -9.781291      3.349272     -1.233612
  H      -7.426271      2.527972     -1.123166
  H      -7.120566      1.921014      7.310848
  H      -6.855851      1.964893      5.544708
  H      -6.212886      4.508442      5.927589
  H      -7.116715      4.366432      7.455407
  H      -8.534034      5.205186      5.553373
  H      -9.155006      3.633534      6.172702
  H     -10.588404      4.672078      4.385570
  H     -12.394540      3.958417      2.859071
  H     -10.813458      0.527206      0.266656
  H      -8.599596     -0.673089      0.154852
  H      -6.786509      0.005718      1.744994
  N      -4.952822      2.183782      3.596803
  H      -4.593339      2.594269      2.721770
  H      -5.943397      1.945565      3.447877
101
Coordinates from ORCA-job orca E -6430.114183422785
  N      -3.103801      0.164841      5.009587
  Mo     -3.816865      2.007374      5.226073
  N      -5.141790      2.255320      6.682826
  C      -4.640593      2.451803      8.037205
  C      -3.372124      1.624503      8.223869
  N      -2.457933      1.815023      7.070406
  C      -1.583543      0.632785      6.847900
  C      -2.353332     -0.442258      6.098971
  C      -1.662432      3.069524      7.142447
  C      -1.345406      3.505813      5.703575
  N      -2.578851      3.644921      4.923406
  H      -1.631194     -1.193419      5.722530
  H      -3.036872     -0.991838      6.780611
  H      -0.737305      0.963934      6.228839
  H      -1.178874      0.257544      7.803829
  H      -0.769029      4.460668      5.717153
  H      -0.685869      2.751038      5.222956
  H      -2.287426      3.837899      7.629020
  H      -0.755395      2.924304      7.757653
  H      -5.391487      2.120123      8.781315
  H      -4.439300      3.521805      8.253785
  H      -3.652777      0.561083      8.240025
  H      -2.860086      1.863464      9.173145
  C      -3.636126     -0.841066      4.082593
  C      -2.672144     -1.139673      2.914600
  C      -2.742292     -0.080454      1.827763
  O      -4.025313     -0.271485      1.157556
  C      -4.324787      0.337778     -0.004863
  C      -5.238177     -0.329629     -0.824102
  C      -5.629285      0.234773     -2.037018
  N      -5.185446      1.396055     -2.501933
  C      -4.298070      2.077761     -1.714655
  C      -3.805509      3.330725     -2.158744
  C      -2.939854      4.060308     -1.362672
  C      -2.568302      3.537291     -0.113646
  N      -2.985168      2.364360      0.340445
  C      -3.833386      1.618818     -0.441002
  C      -3.139082      4.997858      5.098749
  C      -4.324569      5.328723      4.190732
  C      -3.923987      5.576358      2.737615
  O      -4.909687      5.103426      1.788911
  C      -6.145109      5.630350      1.793329
  C      -6.563089      6.744060      2.512880
  C      -7.916757      7.151679      2.448351
  N      -8.860145      6.564319      1.734834
  C      -8.457384      5.491732      0.984551
  C      -9.406583      4.840295      0.166035
  C      -8.999560      3.768231     -0.606372
  C      -7.640877      3.340881     -0.553629
  N      -6.724334      3.910858      0.206852
  C      -7.114230      4.974224      0.966358
  C      -6.576200      2.454070      6.509804
  C      -7.019098      3.922394      6.483461
  C      -8.324456      4.140744      5.734928
  O      -8.152041      3.556212      4.439331
  C      -9.237154      3.264566      3.698769
  C     -10.490929      3.885815      3.805456
  C     -11.533735      3.477896      2.943522
  N     -11.434734      2.517639      2.029410
  C     -10.213834      1.881987      1.926892
  C     -10.051846      0.826455      0.994418
  C      -8.830520      0.171416      0.911333
  C      -7.775010      0.563769      1.767939
  N      -7.879483      1.545807      2.653991
  C      -9.072867      2.211107      2.733770
  H      -3.854705     -1.779439      4.636521
  H      -4.585961     -0.479602      3.672426
  H      -1.639344     -1.169121      3.289967
  H      -2.887439     -2.130035      2.479350
  H      -1.939104     -0.197514      1.077061
  H      -2.691946      0.933959      2.244570
  H      -5.625928     -1.304792     -0.521002
  H      -6.341055     -0.310191     -2.668989
  H      -4.142317      3.684768     -3.125641
  H      -2.550375      5.029921     -1.670670
  H      -1.888647      4.112588      0.541860
  H      -2.325937      5.744381      4.923981
  H      -3.475012      5.173592      6.150439
  H      -4.847946      6.203618      4.611507
  H      -5.033279      4.477800      4.195657
  H      -3.036320      4.983374      2.485445
  H      -3.704070      6.639621      2.539479
  H      -5.876617      7.304192      3.135526
  H      -8.232995      8.020202      3.035695
  H     -10.440510      5.208795      0.174124
  H      -9.702721      3.243039     -1.245182
  H      -7.298197      2.491153     -1.162655
  H      -7.128551      1.919958      7.303249
  H      -6.868376      2.002547      5.562248
  H      -6.233840      4.496904      5.997909
  H      -7.133219      4.321727      7.487519
  H      -8.554187      5.207480      5.636418
  H      -9.171303      3.649044      6.226680
  H     -10.670740      4.697079      4.513940
  H     -12.516440      3.982364      3.021556
  H     -10.910317      0.557770      0.368419
  H      -8.672616     -0.641595      0.204260
  H      -6.806781      0.050240      1.736473
  N      -4.979668      2.202705      3.605823
  H      -4.620179      2.637604      2.720942
  H      -5.969117      1.968803      3.463283
101
Coordinates from ORCA-job orca E -6430.114980339956
  N      -3.117409      0.169764      5.003663
  Mo     -3.838505      2.007424      5.225103
  N      -5.132837      2.245212      6.698472
  C      -4.608343      2.448684      8.044356
  C      -3.341110      1.626131      8.213937
  N      -2.447624      1.821096      7.050368
  C      -1.574433      0.650981      6.812054
  C      -2.346549     -0.426065      6.064410
  C      -1.655273      3.075051      7.115680
  C      -1.378102      3.511038      5.687245
  N      -2.618037      3.639228      4.925941
  H      -1.635300     -1.156066      5.668352
  H      -3.005099     -0.985863      6.743966
  H      -0.743517      0.990479      6.183837
  H      -1.153774      0.278566      7.760355
  H      -0.813811      4.455332      5.701096
  H      -0.737141      2.774497      5.201619
  H      -2.263534      3.828484      7.614287
  H      -0.738378      2.937446      7.708747
  H      -5.345341      2.121373      8.800464
  H      -4.400997      3.518415      8.254169
  H      -3.618827      0.563636      8.232678
  H      -2.816815      1.868169      9.157854
  C      -3.633277     -0.848519      4.109024
  C      -2.672443     -1.155442      2.961848
  C      -2.744835     -0.113179      1.866457
  O      -4.014528     -0.301944      1.197984
  C      -4.327396      0.301819      0.034580
  C      -5.232366     -0.370570     -0.781601
  C      -5.649636      0.197247     -1.991057
  N      -5.237412      1.367025     -2.454986
  C      -4.356378      2.049620     -1.669967
  C      -3.903803      3.315415     -2.106760
  C      -3.044676      4.040186     -1.314997
  C      -2.641001      3.498065     -0.078733
  N      -3.026717      2.319277      0.371484
  C      -3.865917      1.582183     -0.404176
  C      -3.179804      4.978367      5.115143
  C      -4.362842      5.308463      4.209158
  C      -3.957083      5.568274      2.760571
  O      -4.937902      5.109956      1.798182
  C      -6.165274      5.652564      1.802403
  C      -6.573422      6.765412      2.539843
  C      -7.914229      7.193876      2.468287
  N      -8.852768      6.632084      1.731726
  C      -8.460346      5.560808      0.964455
  C      -9.404980      4.935222      0.124456
  C      -9.013130      3.861814     -0.658855
  C      -7.675180      3.406315     -0.596385
  N      -6.760473      3.953352      0.180794
  C      -7.134977      5.018920      0.953161
  C      -6.564464      2.444561      6.541247
  C      -6.985459      3.935448      6.478381
  C      -8.295469      4.134181      5.724729
  O      -8.120619      3.511822      4.426722
  C      -9.201606      3.226787      3.681696
  C     -10.434139      3.856380      3.771946
  C     -11.451400      3.464272      2.887049
  N     -11.341449      2.514005      1.961394
  C     -10.140182      1.869929      1.875375
  C      -9.956093      0.830588      0.919560
  C      -8.751281      0.171596      0.846870
  C      -7.730427      0.545072      1.736688
  N      -7.852474      1.513997      2.641666
  C      -9.032348      2.181171      2.710553
  H      -3.823736     -1.770045      4.674450
  H      -4.591161     -0.506999      3.701488
  H      -1.640580     -1.181839      3.351862
  H      -2.882071     -2.144790      2.534475
  H      -1.958190     -0.240954      1.125956
  H      -2.686035      0.890522      2.265015
  H      -5.596477     -1.348127     -0.477906
  H      -6.359042     -0.349624     -2.619255
  H      -4.267047      3.683127     -3.065120
  H      -2.682963      5.019223     -1.617277
  H      -1.965924      4.062378      0.568173
  H      -2.376577      5.723511      4.940759
  H      -3.503532      5.140633      6.166972
  H      -4.887150      6.175037      4.632917
  H      -5.061634      4.460978      4.204265
  H      -3.066682      4.973626      2.507899
  H      -3.735681      6.632716      2.574716
  H      -5.885964      7.307743      3.181088
  H      -8.223385      8.061294      3.070074
  H     -10.426699      5.321618      0.126478
  H      -9.718539      3.355231     -1.310967
  H      -7.347622      2.554195     -1.211901
  H      -7.111320      1.932509      7.364408
  H      -6.870739      1.964692      5.600352
  H      -6.188346      4.500483      5.949565
  H      -7.085761      4.381148      7.494180
  H      -8.514932      5.211512      5.599899
  H      -9.150720      3.650016      6.242059
  H     -10.615946      4.664742      4.482168
  H     -12.415005      3.979102      2.948124
  H     -10.784084      0.579145      0.265021
  H      -8.576876     -0.629525      0.119810
  H      -6.771470      0.029487      1.713003
  N      -5.024629      2.203994      3.624837
  H      -4.700459      2.648970      2.770981
  H      -6.011268      1.952459      3.488714
101
Coordinates from ORCA-job orca E -6430.113305859956
  N      -3.083965      0.165314      5.024589
  Mo     -3.812918      2.001403      5.235915
  N      -5.137556      2.242388      6.685571
  C      -4.649684      2.449925      8.044977
  C      -3.386839      1.619079      8.254926
  N      -2.464993      1.808285      7.109925
  C      -1.583099      0.633121      6.903757
  C      -2.326272     -0.444054      6.144013
  C      -1.679998      3.060802      7.183242
  C      -1.365240      3.492080      5.742940
  N      -2.595422      3.635254      4.960109
  H      -1.574099     -1.191598      5.771590
  H      -3.014163     -1.007612      6.833698
  H      -0.733062      0.969229      6.293734
  H      -1.187874      0.260965      7.870919
  H      -0.800680      4.433899      5.755253
  H      -0.713331      2.740452      5.271084
  H      -2.305800      3.827849      7.668187
  H      -0.771805      2.912860      7.805979
  H      -5.404159      2.128922      8.787121
  H      -4.449602      3.521631      8.252133
  H      -3.660809      0.554745      8.274074
  H      -2.889663      1.863225      9.211936
  C      -3.582758     -0.857955      4.079245
  C      -2.571112     -1.132745      2.936718
  C      -2.660119     -0.067534      1.858220
  O      -3.941405     -0.331376      1.192600
  C      -4.311864      0.257656      0.034788
  C      -5.214098     -0.454664     -0.743367
  C      -5.724521      0.106461     -1.938000
  N      -5.404578      1.308705     -2.418649
  C      -4.523120      2.025370     -1.670611
  C      -4.171720      3.325960     -2.124723
  C      -3.316678      4.086987     -1.371142
  C      -2.813646      3.542529     -0.155147
  N      -3.104448      2.335172      0.311659
  C      -3.939430      1.565737     -0.426093
  C      -3.149253      4.976115      5.145958
  C      -4.324276      5.317032      4.236359
  C      -3.902836      5.564961      2.791488
  O      -4.885807      5.107686      1.823707
  C      -6.101794      5.675938      1.817549
  C      -6.467299      6.806769      2.524411
  C      -7.792512      7.260150      2.440183
  N      -8.756358      6.702621      1.716937
  C      -8.405836      5.613194      0.980271
  C      -9.376519      4.988970      0.153685
  C      -9.030548      3.899592     -0.594518
  C      -7.718180      3.430998     -0.511868
  N      -6.775066      3.973755      0.250114
  C      -7.101667      5.050990      0.987307
  C      -6.565017      2.433811      6.491966
  C      -7.001520      3.918068      6.426137
  C      -8.296814      4.114125      5.652561
  O      -8.102269      3.511440      4.362601
  C      -9.176358      3.224201      3.611658
  C     -10.401220      3.847463      3.692497
  C     -11.427208      3.443329      2.814347
  N     -11.333258      2.486203      1.906159
  C     -10.132519      1.853182      1.826655
  C      -9.955110      0.812455      0.884662
  C      -8.734165      0.169227      0.808621
  C      -7.701308      0.555962      1.687328
  N      -7.825081      1.524414      2.584007
  C      -9.012334      2.178323      2.651852
  H      -3.793090     -1.792699      4.636386
  H      -4.536950     -0.529221      3.635169
  H      -1.537564     -1.137717      3.345381
  H      -2.749568     -2.134637      2.478294
  H      -1.837852     -0.152012      1.112316
  H      -2.654684      0.963424      2.283432
  H      -5.512160     -1.455167     -0.419208
  H      -6.437415     -0.471687     -2.535110
  H      -4.611222      3.691628     -3.066578
  H      -3.032516      5.097502     -1.689009
  H      -2.143110      4.136311      0.461630
  H      -2.339685      5.711749      4.978431
  H      -3.478417      5.140683      6.194511
  H      -4.842204      6.187566      4.658955
  H      -5.033340      4.477933      4.227662
  H      -3.015565      4.957139      2.555549
  H      -3.665870      6.626539      2.597954
  H      -5.753783      7.346119      3.150910
  H      -8.067327      8.144460      3.019127
  H     -10.379068      5.390729      0.139833
  H      -9.757178      3.389380     -1.236150
  H      -7.428753      2.571023     -1.100962
  H      -7.120713      1.914950      7.299582
  H      -6.848415      1.956831      5.539688
  H      -6.208865      4.491653      5.920658
  H      -7.121469      4.349975      7.438827
  H      -8.529556      5.181022      5.532314
  H      -9.146267      3.620851      6.143024
  H     -10.573600      4.660719      4.391478
  H     -12.387146      3.953712      2.870046
  H     -10.793102      0.551582      0.237125
  H      -8.556358     -0.630382      0.086647
  H      -6.727083      0.052457      1.657759
  N      -4.949005      2.201784      3.608314
  H      -4.611961      2.634598      2.777582
  H      -5.935679      1.949382      3.446481
101
Coordinates from ORCA-job orca E -6430.116017800453
  N      -3.113153      0.157630      5.014733
  Mo     -3.823330      2.003802      5.228089
  N      -5.146208      2.249614      6.687351
  C      -4.642580      2.459573      8.039723
  C      -3.376146      1.631080      8.233745
  N      -2.465000      1.814272      7.077187
  C      -1.593121      0.631278      6.857858
  C      -2.358621     -0.445096      6.112033
  C      -1.667238      3.064670      7.146624
  C      -1.356085      3.500554      5.706344
  N      -2.592271      3.641528      4.931932
  H      -1.635565     -1.194405      5.737167
  H      -3.035706     -0.995291      6.795644
  H      -0.748094      0.961304      6.238481
  H      -1.187191      0.259476      7.816510
  H      -0.780036      4.451872      5.719932
  H      -0.700369      2.744004      5.222658
  H      -2.286274      3.836427      7.637156
  H      -0.756650      2.916296      7.760962
  H      -5.392088      2.136028      8.788515
  H      -4.437300      3.531580      8.246834
  H      -3.656955      0.567759      8.259019
  H      -2.862798      1.879080      9.180647
  C      -3.635433     -0.848859      4.080003
  C      -2.666802     -1.133059      2.919864
  C      -2.720043     -0.061595      1.848059
  O      -3.993602     -0.252470      1.172209
  C      -4.313287      0.361174      0.019210
  C      -5.228582     -0.311402     -0.785515
  C      -5.653442      0.253749     -1.992120
  N      -5.243309      1.425317     -2.461077
  C      -4.355064      2.111174     -1.685605
  C      -3.904814      3.378329     -2.129251
  C      -3.042518      4.112259     -1.346827
  C      -2.626172      3.573937     -0.111704
  N      -3.003907      2.392566      0.342090
  C      -3.853117      1.647751     -0.423263
  C      -3.147954      4.991058      5.102420
  C      -4.325424      5.318672      4.188181
  C      -3.908129      5.572214      2.745535
  O      -4.873644      5.092639      1.784383
  C      -6.100286      5.628833      1.780004
  C      -6.488683      6.754538      2.483862
  C      -7.833150      7.182142      2.418403
  N      -8.796370      6.600030      1.715727
  C      -8.423075      5.514011      0.981338
  C      -9.397888      4.867684      0.177112
  C      -9.024143      3.787112     -0.581272
  C      -7.674992      3.344779     -0.528970
  N      -6.731970      3.907009      0.219135
  C      -7.089933      4.978877      0.965227
  C      -6.577717      2.443588      6.512102
  C      -7.013291      3.917640      6.459567
  C      -8.305195      4.136304      5.693890
  O      -8.117772      3.497169      4.403833
  C      -9.203773      3.215549      3.662987
  C     -10.429477      3.849626      3.753177
  C     -11.473343      3.450080      2.886617
  N     -11.400834      2.485909      1.985665
  C     -10.204889      1.839890      1.901782
  C     -10.062768      0.783626      0.981528
  C      -8.853772      0.121837      0.908119
  C      -7.792857      0.507679      1.764556
  N      -7.882532      1.489222      2.642109
  C      -9.061624      2.160098      2.710834
  H      -3.852852     -1.788793      4.631398
  H      -4.584041     -0.491720      3.657989
  H      -1.651043     -1.178824      3.311670
  H      -2.883179     -2.102807      2.464444
  H      -1.913682     -0.163716      1.097856
  H      -2.671824      0.944998      2.284374
  H      -5.594202     -1.292103     -0.475015
  H      -6.366875     -0.299200     -2.613088
  H      -4.275488      3.740175     -3.086650
  H      -2.687525      5.097488     -1.654181
  H      -1.945017      4.147144      0.531694
  H      -2.336898      5.731027      4.929944
  H      -3.485504      5.168764      6.149435
  H      -4.857859      6.183505      4.605146
  H      -5.024746      4.464935      4.182903
  H      -3.016941      4.986573      2.515192
  H      -3.693308      6.634749      2.544312
  H      -5.781847      7.312258      3.096306
  H      -8.125643      8.063192      2.995065
  H     -10.423650      5.251451      0.185776
  H      -9.747504      3.264980     -1.214045
  H      -7.357102      2.489715     -1.132473
  H      -7.130232      1.922244      7.314669
  H      -6.872634      1.973333      5.568338
  H      -6.218819      4.479947      5.973396
  H      -7.138096      4.333382      7.457939
  H      -8.516008      5.221672      5.561232
  H      -9.174148      3.666900      6.201990
  H     -10.591500      4.664324      4.454895
  H     -12.434502      3.967098      2.950981
  H     -10.922196      0.521420      0.351804
  H      -8.705977     -0.691388      0.206015
  H      -6.827698     -0.011517      1.733998
  N      -4.980775      2.195401      3.609025
  H      -4.634364      2.648675      2.735459
  H      -5.967167      1.932618      3.460989
101
Coordinates from ORCA-job orca E -6430.115765296515
  N      -3.113265      0.169055      5.019591
  Mo     -3.822824      2.011618      5.229853
  N      -5.129682      2.267232      6.696322
  C      -4.614814      2.483214      8.045366
  C      -3.351569      1.649014      8.231078
  N      -2.445805      1.824254      7.067678
  C      -1.579290      0.638890      6.846305
  C      -2.354544     -0.435889      6.100651
  C      -1.642615      3.074254      7.124250
  C      -1.345454      3.497986      5.683713
  N      -2.584278      3.637775      4.916748
  H      -1.638324     -1.180273      5.716434
  H      -3.030617     -0.986468      6.784554
  H      -0.736447      0.965140      6.222046
  H      -1.171684      0.266602      7.801877
  H      -0.767440      4.443712      5.687468
  H      -0.702536      2.742088      5.203378
  H      -2.253398      3.843747      7.613858
  H      -0.729937      2.929052      7.727068
  H      -5.360315      2.169039      8.803720
  H      -4.403479      3.556860      8.242474
  H      -3.637709      0.586397      8.259538
  H      -2.832222      1.894757      9.175940
  C      -3.630960     -0.842509      4.099589
  C      -2.658310     -1.140900      2.947552
  C      -2.739754     -0.091400      1.856058
  O      -4.014519     -0.293561      1.182231
  C      -4.326838      0.317836      0.022128
  C      -5.253612     -0.336887     -0.790571
  C      -5.671263      0.242769     -1.995311
  N      -5.240476      1.406786     -2.458104
  C      -4.338316      2.072611     -1.677333
  C      -3.861905      3.329696     -2.115689
  C      -2.978986      4.038669     -1.328073
  C      -2.576788      3.491053     -0.093836
  N      -2.983445      2.318217      0.357226
  C      -3.844951      1.594049     -0.415437
  C      -3.132569      4.987628      5.096823
  C      -4.322015      5.318876      4.196954
  C      -3.927406      5.557003      2.738536
  O      -4.924891      5.089502      1.794587
  C      -6.154988      5.632082      1.813140
  C      -6.554666      6.746401      2.553679
  C      -7.898947      7.177014      2.495551
  N      -8.847513      6.614557      1.768175
  C      -8.463053      5.542311      0.996992
  C      -9.415424      4.918994      0.161120
  C      -9.030466      3.845485     -0.628364
  C      -7.690712      3.388235     -0.575206
  N      -6.768947      3.933119      0.198060
  C      -7.135713      4.998484      0.974602
  C      -6.563801      2.459909      6.532013
  C      -7.004425      3.941943      6.454935
  C      -8.325654      4.112760      5.707663
  O      -8.172223      3.505646      4.421192
  C      -9.257128      3.214083      3.678592
  C     -10.508609      3.831981      3.777720
  C     -11.532686      3.430614      2.897704
  N     -11.411476      2.483430      1.967008
  C     -10.191403      1.850808      1.870715
  C      -9.996405      0.813591      0.909943
  C      -8.778376      0.163518      0.831537
  C      -7.755555      0.543816      1.720580
  N      -7.885734      1.511294      2.628475
  C      -9.077058      2.170635      2.702341
  H      -3.834837     -1.773987      4.656988
  H      -4.584710     -0.496213      3.684922
  H      -1.620835     -1.160489      3.334816
  H      -2.861363     -2.136853      2.515783
  H      -1.942625     -0.209227      1.119166
  H      -2.695912      0.917676      2.258617
  H      -5.636424     -1.308367     -0.486576
  H      -6.397750     -0.288785     -2.620400
  H      -4.224611      3.703577     -3.071421
  H      -2.598110      5.009215     -1.632524
  H      -1.884697      4.046992      0.551198
  H      -2.320011      5.725927      4.910362
  H      -3.450762      5.165802      6.151477
  H      -4.836479      6.197231      4.618185
  H      -5.033358      4.475769      4.208758
  H      -3.042754      4.954651      2.479910
  H      -3.700952      6.618744      2.537748
  H      -5.858413      7.288881      3.186320
  H      -8.200741      8.045844      3.098969
  H     -10.436242      5.307695      0.169749
  H      -9.740742      3.340912     -1.277895
  H      -7.369331      2.536618     -1.194009
  H      -7.105096      1.952699      7.360938
  H      -6.865568      1.967351      5.596636
  H      -6.221105      4.513383      5.919946
  H      -7.101840      4.391304      7.467973
  H      -8.565999      5.165191      5.584189
  H      -9.156400      3.620557      6.221110
  H     -10.699287      4.637817      4.490763
  H     -12.510439      3.935223      2.967337
  H     -10.828669      0.555100      0.259087
  H      -8.596973     -0.636822      0.102839
  H      -6.792201      0.034118      1.694500
  N      -4.992794      2.213137      3.618185
  H      -4.660885      2.675516      2.761312
  H      -5.974072      1.953230      3.471490
101
Coordinates from ORCA-job orca E -6430.117678645732
  N      -3.120626      0.160504      5.022637
  Mo     -3.832150      2.004129      5.228726
  N      -5.140880      2.257403      6.691918
  C      -4.629158      2.476125      8.038495
  C      -3.368537      1.643352      8.234739
  N      -2.462656      1.814717      7.077165
  C      -1.598219      0.630554      6.864328
  C      -2.369942     -0.443205      6.120174
  C      -1.662590      3.059713      7.132863
  C      -1.364667      3.479760      5.693322
  N      -2.600142      3.625595      4.922853
  H      -1.648686     -1.198730      5.746896
  H      -3.053804     -0.985514      6.810033
  H      -0.753816      0.953204      6.242602
  H      -1.194329      0.260930      7.824105
  H      -0.789941      4.417948      5.699119
  H      -0.724885      2.726267      5.217847
  H      -2.272934      3.828844      7.619142
  H      -0.750127      2.912652      7.740966
  H      -5.373900      2.166810      8.793537
  H      -4.417336      3.546021      8.233728
  H      -3.650909      0.583500      8.266483
  H      -2.853115      1.892714      9.179887
  C      -3.619266     -0.852406      4.094731
  C      -2.627541     -1.137333      2.958504
  C      -2.703569     -0.086812      1.872385
  O      -3.969904     -0.317609      1.182558
  C      -4.296559      0.284272      0.024879
  C      -5.213712     -0.395561     -0.770056
  C      -5.670738      0.177058     -1.968370
  N      -5.290943      1.363312     -2.438214
  C      -4.398999      2.053477     -1.673753
  C      -3.987926      3.341237     -2.115221
  C      -3.120750      4.078596     -1.344300
  C      -2.661784      3.523448     -0.125350
  N      -3.007288      2.324550      0.328598
  C      -3.860343      1.578058     -0.424385
  C      -3.142974      4.971208      5.109254
  C      -4.325705      5.319122      4.208972
  C      -3.922311      5.583421      2.762199
  O      -4.906690      5.132756      1.798508
  C      -6.133086      5.678352      1.807224
  C      -6.528425      6.795335      2.534035
  C      -7.868794      7.220055      2.473489
  N      -8.820539      6.648550      1.758462
  C      -8.441581      5.574529      1.000731
  C      -9.404176      4.937242      0.185280
  C      -9.025769      3.863792     -0.590966
  C      -7.683353      3.423002     -0.546456
  N      -6.753141      3.977972      0.209988
  C      -7.115064      5.040913      0.976046
  C      -6.571130      2.452430      6.518228
  C      -6.996647      3.930787      6.434670
  C      -8.297054      4.133970      5.673034
  O      -8.122592      3.470729      4.400200
  C      -9.200532      3.194348      3.654799
  C     -10.432997      3.817164      3.756359
  C     -11.461964      3.422888      2.882182
  N     -11.367585      2.474272      1.960139
  C     -10.164001      1.838636      1.861170
  C      -9.994760      0.801755      0.908379
  C      -8.777986      0.155238      0.813950
  C      -7.736335      0.535741      1.682453
  N      -7.850462      1.499426      2.589174
  C      -9.038499      2.155794      2.678165
  H      -3.822751     -1.782683      4.648445
  H      -4.572987     -0.516058      3.665355
  H      -1.599348     -1.149361      3.366673
  H      -2.814136     -2.129979      2.514246
  H      -1.892054     -0.189853      1.143070
  H      -2.682155      0.927180      2.283873
  H      -5.562143     -1.381027     -0.454297
  H      -6.391051     -0.376312     -2.579332
  H      -4.392633      3.717114     -3.059619
  H      -2.795145      5.078249     -1.650444
  H      -1.980831      4.100199      0.506152
  H      -2.330073      5.702527      4.933435
  H      -3.461272      5.140290      6.159420
  H      -4.842968      6.186175      4.640857
  H      -5.031377      4.476388      4.201912
  H      -3.035926      4.984116      2.508316
  H      -3.695314      6.646552      2.577232
  H      -5.830438      7.344058      3.158363
  H      -8.166930      8.090706      3.067514
  H     -10.428569      5.314936      0.201357
  H      -9.744899      3.347414     -1.224632
  H      -7.365408      2.574946     -1.158072
  H      -7.120554      1.951943      7.336737
  H      -6.870673      1.965235      5.585557
  H      -6.200003      4.482697      5.917944
  H      -7.105301      4.377905      7.433471
  H      -8.500018      5.212735      5.514001
  H      -9.162887      3.682316      6.196417
  H     -10.609890      4.619363      4.470853
  H     -12.426815      3.931666      2.954402
  H     -10.839155      0.544539      0.270503
  H      -8.610164     -0.641924      0.086142
  H      -6.765272      0.030409      1.636504
  N      -4.996768      2.208960      3.611913
  H      -4.670353      2.671457      2.766812
  H      -5.976119      1.937730      3.457538
101
Coordinates from ORCA-job orca E -6430.115342508725
  N      -3.151455      0.146080      5.040588
  Mo     -3.842539      1.998763      5.245144
  N      -5.148057      2.267035      6.719215
  C      -4.628073      2.503432      8.066306
  C      -3.371024      1.659137      8.261200
  N      -2.466127      1.810728      7.084411
  C      -1.612777      0.611057      6.864790
  C      -2.394077     -0.461332      6.124620
  C      -1.643034      3.056308      7.125465
  C      -1.344085      3.471107      5.674601
  N      -2.591875      3.627661      4.927283
  H      -1.682995     -1.206930      5.739763
  H      -3.065985     -1.010559      6.808985
  H      -0.767832      0.928851      6.235564
  H      -1.204997      0.239532      7.822769
  H      -0.746270      4.415226      5.666237
  H      -0.716817      2.691191      5.186421
  H      -2.238252      3.846718      7.619736
  H      -0.727047      2.898188      7.722772
  H      -5.375101      2.205404      8.835927
  H      -4.404539      3.583446      8.247701
  H      -3.665535      0.593556      8.311161
  H      -2.846219      1.922548      9.201723
  C      -3.653701     -0.861404      4.087154
  C      -2.664592     -1.106356      2.922210
  C      -2.725379     -0.006952      1.870222
  O      -3.988758     -0.228141      1.184548
  C      -4.327870      0.383642      0.034794
  C      -5.242638     -0.295706     -0.760139
  C      -5.687712      0.263624     -1.962481
  N      -5.296460      1.435029     -2.437033
  C      -4.406117      2.124268     -1.671101
  C      -3.967747      3.385370     -2.120113
  C      -3.097339      4.114704     -1.350050
  C      -2.662736      3.577626     -0.122358
  N      -3.030695      2.405101      0.336625
  C      -3.885570      1.666436     -0.415627
  C      -3.120588      4.990509      5.099912
  C      -4.307755      5.320834      4.199665
  C      -3.892061      5.548644      2.749770
  O      -4.869688      5.066352      1.795961
  C      -6.087619      5.620056      1.793496
  C      -6.451484      6.754704      2.493702
  C      -7.785491      7.202138      2.424031
  N      -8.757748      6.634123      1.717035
  C      -8.407216      5.540494      0.984549
  C      -9.385127      4.911115      0.168572
  C      -9.036262      3.824635     -0.584932
  C      -7.711929      3.358788     -0.515506
  N      -6.762120      3.905178      0.239836
  C      -7.093056      4.983000      0.979657
  C      -6.577436      2.444936      6.550373
  C      -7.020018      3.927477      6.448044
  C      -8.316506      4.104542      5.670423
  O      -8.130732      3.459569      4.393723
  C      -9.206624      3.176737      3.642906
  C     -10.435716      3.796352      3.726871
  C     -11.465236      3.391842      2.846160
  N     -11.371990      2.437148      1.935252
  C     -10.170339      1.804648      1.857825
  C     -10.003089      0.757986      0.925983
  C      -8.794360      0.107304      0.863532
  C      -7.755168      0.495752      1.740505
  N      -7.864198      1.471056      2.625106
  C      -9.045634      2.129588      2.683310
  H      -3.861949     -1.819030      4.623409
  H      -4.603658     -0.513989      3.663809
  H      -1.648394     -1.139411      3.318852
  H      -2.859107     -2.078280      2.442609
  H      -1.897619     -0.069506      1.119005
  H      -2.711858      1.001840      2.331107
  H      -5.593642     -1.276341     -0.443453
  H      -6.402216     -0.295001     -2.574897
  H      -4.351233      3.744390     -3.072313
  H      -2.747130      5.093729     -1.661195
  H      -1.972570      4.141837      0.508794
  H      -2.297198      5.717794      4.901111
  H      -3.435958      5.187916      6.156935
  H      -4.822717      6.199875      4.613449
  H      -5.021741      4.476917      4.209184
  H      -3.006095      4.948493      2.522338
  H      -3.662538      6.608409      2.535863
  H      -5.730669      7.302908      3.106002
  H      -8.059791      8.090136      2.999605
  H     -10.391767      5.313431      0.160883
  H      -9.764724      3.314737     -1.226175
  H      -7.414401      2.501412     -1.118018
  H      -7.117786      1.946690      7.386337
  H      -6.877093      1.932519      5.614930
  H      -6.231514      4.490188      5.931536
  H      -7.141532      4.379494      7.449048
  H      -8.547759      5.171834      5.517216
  H      -9.165717      3.628472      6.180675
  H     -10.613514      4.604149      4.434383
  H     -12.430943      3.897924      2.907312
  H     -10.845115      0.494031      0.279674
  H      -8.629016     -0.700521      0.154814
  H      -6.790971     -0.017376      1.718318
  N      -5.009463      2.194683      3.635677
  H      -4.691117      2.668210      2.790753
  H      -5.993470      1.915160      3.489488
101
Coordinates from ORCA-job orca E -6430.118166287344
  N      -3.115948      0.159305      5.032180
  Mo     -3.822414      2.005481      5.238651
  N      -5.138767      2.260072      6.697125
  C      -4.630935      2.482134      8.045361
  C      -3.369362      1.649314      8.246199
  N      -2.460995      1.817352      7.089011
  C      -1.597771      0.628003      6.881320
  C      -2.369620     -0.446230      6.138572
  C      -1.657894      3.060999      7.146392
  C      -1.353063      3.482467      5.705395
  N      -2.588017      3.629152      4.929579
  H      -1.647076     -1.207419      5.770309
  H      -3.058201     -0.985067      6.829045
  H      -0.748623      0.946802      6.262326
  H      -1.199164      0.258254      7.844520
  H      -0.774662      4.423228      5.712225
  H      -0.708486      2.723823      5.229387
  H      -2.270417      3.834560      7.631415
  H      -0.746324      2.912685      7.758600
  H      -5.378057      2.172930      8.798690
  H      -4.420060      3.553087      8.238489
  H      -3.653000      0.589441      8.279826
  H      -2.854446      1.900644      9.190861
  C      -3.618980     -0.847648      4.087055
  C      -2.634131     -1.119198      2.934934
  C      -2.708702     -0.049500      1.861146
  O      -3.977061     -0.262464      1.183444
  C      -4.313284      0.348620      0.030099
  C      -5.248063     -0.319226     -0.759783
  C      -5.696143      0.249323     -1.961062
  N      -5.290632      1.419187     -2.438882
  C      -4.381629      2.098172     -1.679613
  C      -3.934714      3.362963     -2.133037
  C      -3.048105      4.088328     -1.367799
  C      -2.606612      3.545016     -0.141080
  N      -2.982077      2.365442      0.321979
  C      -3.853466      1.629287     -0.425704
  C      -3.130457      4.980872      5.099249
  C      -4.309993      5.316058      4.191425
  C      -3.900565      5.557068      2.741645
  O      -4.884068      5.086649      1.789046
  C      -6.107661      5.636326      1.798387
  C      -6.483915      6.763122      2.516780
  C      -7.823026      7.203953      2.459923
  N      -8.790515      6.635671      1.753214
  C      -8.429684      5.550408      1.003691
  C      -9.405273      4.920956      0.190079
  C      -9.043235      3.840944     -0.584404
  C      -7.706191      3.382843     -0.537439
  N      -6.762073      3.929797      0.217392
  C      -7.106245      5.000831      0.979181
  C      -6.571713      2.449030      6.522771
  C      -7.006718      3.928865      6.428492
  C      -8.312487      4.115088      5.669260
  O      -8.146141      3.461149      4.395688
  C      -9.231828      3.181473      3.653795
  C     -10.470280      3.802675      3.754199
  C     -11.505617      3.404216      2.880590
  N     -11.411126      2.453847      1.960887
  C     -10.202708      1.819132      1.865806
  C     -10.036382      0.776773      0.922252
  C      -8.821783      0.125423      0.840695
  C      -7.777293      0.508522      1.711484
  N      -7.886080      1.478217      2.607176
  C      -9.072055      2.138455      2.683895
  H      -3.829669     -1.790238      4.631663
  H      -4.570113     -0.501314      3.660723
  H      -1.609838     -1.144324      3.330796
  H      -2.829950     -2.101137      2.481251
  H      -1.900693     -0.140154      1.119912
  H      -2.682572      0.958030      2.288116
  H      -5.613766     -1.295696     -0.439543
  H      -6.427118     -0.297340     -2.569246
  H      -4.325734      3.730049     -3.083185
  H      -2.692617      5.069377     -1.683429
  H      -1.907472      4.112102      0.487019
  H      -2.315884      5.712302      4.915733
  H      -3.455174      5.164935      6.148076
  H      -4.828109      6.190028      4.608257
  H      -5.019894      4.472471      4.195542
  H      -3.015560      4.958073      2.500682
  H      -3.674773      6.617761      2.537409
  H      -5.770886      7.310094      3.132570
  H      -8.105715      8.084638      3.047600
  H     -10.421902      5.315246      0.201182
  H      -9.768779      3.332070     -1.222139
  H      -7.399132      2.529632     -1.153274
  H      -7.119582      1.950855      7.349078
  H      -6.869937      1.950401      5.591739
  H      -6.214645      4.483556      5.905644
  H      -7.116852      4.381587      7.427050
  H      -8.531236      5.182920      5.515815
  H      -9.166518      3.652014      6.192690
  H     -10.648538      4.605795      4.468259
  H     -12.475632      3.911372      2.953050
  H     -10.883973      0.516614      0.283362
  H      -8.658090     -0.678483      0.123003
  H      -6.811682     -0.002955      1.677749
  N      -4.978968      2.209351      3.617636
  H      -4.656576      2.700998      2.775967
  H      -5.949608      1.919302      3.452765
101
Coordinates from ORCA-job orca E -6430.116468737515
  N      -3.162942      0.148287      5.031960
  Mo     -3.849823      2.001335      5.219236
  N      -5.139790      2.282504      6.700964
  C      -4.608741      2.527059      8.039159
  C      -3.357276      1.677232      8.232204
  N      -2.458155      1.815639      7.054367
  C      -1.613792      0.613572      6.841104
  C      -2.406372     -0.455381      6.105858
  C      -1.631386      3.055357      7.080008
  C      -1.344018      3.453192      5.626129
  N      -2.592515      3.613870      4.885140
  H      -1.704637     -1.205743      5.721418
  H      -3.079459     -0.994238      6.794420
  H      -0.769179      0.921590      6.209399
  H      -1.206584      0.244919      7.798046
  H      -0.744146      4.388776      5.607408
  H      -0.728269      2.673215      5.144000
  H      -2.219383      3.846093      7.568965
  H      -0.714001      2.898459      7.671888
  H      -5.351330      2.244333      8.817399
  H      -4.376385      3.604776      8.207623
  H      -3.656014      0.616353      8.288714
  H      -2.827777      1.940434      9.168042
  C      -3.658149     -0.861088      4.111973
  C      -2.660577     -1.142744      2.983524
  C      -2.736338     -0.091645      1.899619
  O      -3.995090     -0.337000      1.188699
  C      -4.305603      0.283873      0.037418
  C      -5.217500     -0.377530     -0.775518
  C      -5.656171      0.215357     -1.968370
  N      -5.264520      1.405192     -2.417469
  C      -4.377451      2.077742     -1.635186
  C      -3.955845      3.370117     -2.052136
  C      -3.089896      4.086661     -1.265321
  C      -2.641836      3.506886     -0.055706
  N      -3.000930      2.304806      0.377737
  C      -3.854792      1.579283     -0.390301
  C      -3.111154      4.970953      5.078024
  C      -4.302803      5.336712      4.192268
  C      -3.912627      5.605013      2.741738
  O      -4.907034      5.160591      1.783013
  C      -6.136853      5.699848      1.801678
  C      -6.542589      6.811123      2.535082
  C      -7.887951      7.223129      2.483957
  N      -8.833938      6.647267      1.772375
  C      -8.445662      5.578238      1.010359
  C      -9.406798      4.931202      0.206354
  C      -9.021189      3.860380     -0.569922
  C      -7.669712      3.432295     -0.538241
  N      -6.742255      3.996396      0.208658
  C      -7.113441      5.056291      0.974836
  C      -6.570940      2.465148      6.540502
  C      -7.006961      3.936850      6.432185
  C      -8.312678      4.112519      5.669194
  O      -8.145552      3.434381      4.408055
  C      -9.219647      3.155069      3.658797
  C     -10.452033      3.774931      3.756650
  C     -11.471735      3.381817      2.874850
  N     -11.369007      2.436817      1.948078
  C     -10.164956      1.804223      1.850907
  C      -9.982859      0.775080      0.886137
  C      -8.756729      0.139899      0.780708
  C      -7.719888      0.522294      1.652503
  N      -7.848886      1.476398      2.574637
  C      -9.046437      2.121887      2.673442
  H      -3.852504     -1.788496      4.664289
  H      -4.613938     -0.529341      3.684984
  H      -1.628989     -1.145367      3.400435
  H      -2.837511     -2.141270      2.536479
  H      -1.910820     -0.186154      1.183277
  H      -2.732196      0.925307      2.314333
  H      -5.579914     -1.360370     -0.473987
  H      -6.373305     -0.321671     -2.592250
  H      -4.350982      3.765039     -2.991208
  H      -2.755510      5.087552     -1.552970
  H      -1.958970      4.063407      0.584883
  H      -2.286133      5.690113      4.891010
  H      -3.413299      5.147143      6.133270
  H      -4.806745      6.208815      4.635706
  H      -5.018222      4.502094      4.187707
  H      -3.028639      5.003607      2.474911
  H      -3.684018      6.667931      2.561034
  H      -5.850591      7.363390      3.156971
  H      -8.193963      8.088301      3.082176
  H     -10.440887      5.296563      0.235857
  H      -9.741309      3.336313     -1.192290
  H      -7.349235      2.585607     -1.143316
  H      -7.105081      1.978879      7.376393
  H      -6.878689      1.954171      5.620561
  H      -6.220165      4.487582      5.903054
  H      -7.111337      4.398105      7.425352
  H      -8.525504      5.179970      5.491098
  H      -9.166446      3.663009      6.201779
  H     -10.634711      4.573799      4.473961
  H     -12.431754      3.890762      2.940794
  H     -10.822833      0.517007      0.245108
  H      -8.577182     -0.648895      0.040613
  H      -6.739856      0.028030      1.593290
  N      -5.028749      2.204731      3.614154
  H      -4.718822      2.686783      2.771344
  H      -6.011412      1.926874      3.473810
101
Coordinates from ORCA-job orca E -6430.118491244304
  N      -3.140837      0.151351      5.039648
  Mo     -3.835340      2.002504      5.235431
  N      -5.140982      2.272267      6.702960
  C      -4.622810      2.509841      8.045566
  C      -3.367393      1.667630      8.247440
  N      -2.462657      1.815751      7.081081
  C      -1.611635      0.617297      6.875633
  C      -2.394064     -0.453685      6.137354
  C      -1.645433      3.054614      7.120322
  C      -1.348938      3.461912      5.673791
  N      -2.589266      3.618171      4.912252
  H      -1.680957     -1.213549      5.765787
  H      -3.079129     -0.988676      6.827848
  H      -0.762130      0.926896      6.252180
  H      -1.212544      0.248977      7.838230
  H      -0.758846      4.396714      5.668641
  H      -0.720506      2.692693      5.196820
  H      -2.243785      3.837312      7.606265
  H      -0.730763      2.901334      7.722844
  H      -5.368220      2.217988      8.810918
  H      -4.399841      3.583645      8.222939
  H      -3.659463      0.608382      8.295179
  H      -2.845659      1.926668      9.187365
  C      -3.632512     -0.854985      4.093708
  C      -2.635633     -1.118564      2.952263
  C      -2.710495     -0.050407      1.879997
  O      -3.970005     -0.282501      1.183223
  C      -4.300275      0.331677      0.032737
  C      -5.230352     -0.334480     -0.760258
  C      -5.682180      0.241119     -1.956340
  N      -5.286402      1.418167     -2.426043
  C      -4.383014      2.096048     -1.662843
  C      -3.951457      3.371650     -2.104618
  C      -3.070672      4.095476     -1.336070
  C      -2.617753      3.538689     -0.118712
  N      -2.980391      2.350289      0.334218
  C      -3.847948      1.617270     -0.415737
  C      -3.115573      4.974564      5.089096
  C      -4.301749      5.321481      4.192249
  C      -3.901423      5.564259      2.738901
  O      -4.893045      5.101553      1.787440
  C      -6.118488      5.648863      1.804483
  C      -6.500077      6.770125      2.530284
  C      -7.840110      7.203321      2.479509
  N      -8.802970      6.635131      1.772041
  C      -8.437076      5.556114      1.015086
  C      -9.409496      4.924061      0.204285
  C      -9.044211      3.848498     -0.573956
  C      -7.705674      3.398632     -0.535309
  N      -6.765023      3.947778      0.217025
  C      -7.113408      5.013580      0.983952
  C      -6.573291      2.459002      6.532339
  C      -7.005427      3.937186      6.418405
  C      -8.308880      4.117931      5.654862
  O      -8.141346      3.436773      4.395198
  C      -9.221328      3.163441      3.649118
  C     -10.457961      3.782461      3.753849
  C     -11.491295      3.388057      2.879029
  N     -11.394987      2.444421      1.952147
  C     -10.186938      1.812292      1.850933
  C     -10.017702      0.778578      0.896442
  C      -8.805003      0.130252      0.807183
  C      -7.763698      0.507838      1.680121
  N      -7.874416      1.469977      2.585591
  C      -9.060049      2.127037      2.670687
  H      -3.838367     -1.797568      4.635427
  H      -4.584273     -0.515965      3.662799
  H      -1.611903     -1.133149      3.360455
  H      -2.817389     -2.104294      2.493577
  H      -1.891535     -0.132585      1.150548
  H      -2.701940      0.958206      2.308306
  H      -5.593059     -1.312197     -0.443269
  H      -6.410773     -0.303376     -2.565995
  H      -4.350764      3.748541     -3.048013
  H      -2.728605      5.085213     -1.642697
  H      -1.924356      4.103998      0.511581
  H      -2.293687      5.696965      4.897576
  H      -3.426588      5.162459      6.142275
  H      -4.810574      6.198107      4.618051
  H      -5.017811      4.483546      4.198637
  H      -3.018679      4.960253      2.488693
  H      -3.671049      6.624596      2.537479
  H      -5.790720      7.317111      3.146897
  H      -8.126999      8.078504      3.073214
  H     -10.428667      5.310384      0.222615
  H      -9.770084      3.336703     -1.206172
  H      -7.397221      2.549620     -1.152406
  H      -7.117416      1.973586      7.366944
  H      -6.875399      1.947981      5.609505
  H      -6.212225      4.482887      5.888425
  H      -7.114145      4.403511      7.410979
  H      -8.519388      5.186682      5.476813
  H      -9.166812      3.671765      6.186633
  H     -10.637920      4.579488      4.473914
  H     -12.462322      3.892552      2.957305
  H     -10.862100      0.523342      0.255622
  H      -8.639616     -0.666851      0.081178
  H      -6.797517     -0.000659      1.637172
  N      -4.998625      2.208011      3.619420
  H      -4.684593      2.702713      2.781428
  H      -5.975147      1.918846      3.463931
101
Coordinates from ORCA-job orca E -6430.118213184791
  N      -3.132258      0.158670      5.039145
  Mo     -3.828282      2.007516      5.242506
  N      -5.136290      2.265054      6.706588
  C      -4.618580      2.497580      8.050395
  C      -3.357161      1.665267      8.248641
  N      -2.456573      1.822418      7.081455
  C      -1.600730      0.627861      6.872400
  C      -2.383406     -0.446480      6.137378
  C      -1.644712      3.064088      7.127096
  C      -1.347455      3.478809      5.682365
  N      -2.589757      3.629630      4.922434
  H      -1.669650     -1.209952      5.766314
  H      -3.070322     -0.980650      6.832005
  H      -0.753519      0.940506      6.247002
  H      -1.199036      0.259852      7.833737
  H      -0.760009      4.418690      5.680741
  H      -0.713425      2.711901      5.200663
  H      -2.249645      3.844956      7.612711
  H      -0.730800      2.913944      7.732146
  H      -5.360876      2.195131      8.811805
  H      -4.404005      3.570504      8.232951
  H      -3.643267      0.604549      8.294186
  H      -2.834652      1.925245      9.187940
  C      -3.633154     -0.846286      4.098845
  C      -2.646201     -1.115344      2.948493
  C      -2.718571     -0.046946      1.874028
  O      -3.983320     -0.265301      1.188035
  C      -4.318107      0.343330      0.035906
  C      -5.257181     -0.323402     -0.748617
  C      -5.705268      0.243966     -1.947545
  N      -5.298220      1.413018     -2.427695
  C      -4.384596      2.090837     -1.673535
  C      -3.934986      3.353838     -2.128656
  C      -3.039504      4.075114     -1.369531
  C      -2.591745      3.529672     -0.147780
  N      -2.971912      2.353398      0.317834
  C      -3.852832      1.621301     -0.423353
  C      -3.126138      4.981510      5.102977
  C      -4.309384      5.323680      4.201899
  C      -3.901728      5.574707      2.755015
  O      -4.882660      5.109652      1.797849
  C      -6.101855      5.665085      1.797603
  C      -6.475939      6.797119      2.506250
  C      -7.813777      7.238321      2.444594
  N      -8.782184      6.666355      1.743204
  C      -8.422826      5.576649      1.002041
  C      -9.401392      4.940685      0.196757
  C      -9.041446      3.856388     -0.568290
  C      -7.702180      3.401195     -0.521141
  N      -6.756640      3.952629      0.227898
  C      -7.099664      5.027239      0.980290
  C      -6.568984      2.439788      6.540655
  C      -7.014855      3.913286      6.434779
  C      -8.325926      4.078162      5.677152
  O      -8.161228      3.414181      4.405630
  C      -9.246269      3.142825      3.660227
  C     -10.475483      3.771026      3.755456
  C     -11.501543      3.385416      2.870257
  N     -11.408279      2.440429      1.945552
  C     -10.208843      1.799482      1.854964
  C     -10.036621      0.768362      0.897121
  C      -8.813547      0.123456      0.800514
  C      -7.771559      0.498554      1.676692
  N      -7.890747      1.453550      2.591579
  C      -9.083399      2.108284      2.679980
  H      -3.839219     -1.789731      4.641456
  H      -4.584871     -0.501235      3.675158
  H      -1.621192     -1.136962      3.347319
  H      -2.839105     -2.098476      2.493800
  H      -1.904692     -0.135235      1.137111
  H      -2.698473      0.961521      2.302559
  H      -5.627676     -1.297222     -0.423765
  H      -6.439794     -0.301444     -2.551847
  H      -4.330152      3.722401     -3.075023
  H      -2.680934      5.054172     -1.685368
  H      -1.881142      4.089947      0.473750
  H      -2.311254      5.711848      4.918117
  H      -3.443947      5.161400      6.153471
  H      -4.824075      6.196172      4.624610
  H      -5.019398      4.482532      4.202041
  H      -3.016101      4.977588      2.511035
  H      -3.677732      6.636534      2.558616
  H      -5.763206      7.346583      3.118910
  H      -8.095968      8.122205      3.025028
  H     -10.420702      5.332464      0.208664
  H      -9.770786      3.341960     -1.198390
  H      -7.397349      2.545263     -1.127899
  H      -7.104311      1.947030      7.376371
  H      -6.870583      1.927794      5.616392
  H      -6.231959      4.470466      5.902352
  H      -7.120565      4.373023      7.430889
  H      -8.553608      5.141708      5.514072
  H      -9.171699      3.610908      6.209520
  H     -10.651307      4.571315      4.472294
  H     -12.457786      3.901780      2.932400
  H     -10.880330      0.515757      0.252723
  H      -8.640166     -0.668743      0.065882
  H      -6.797018     -0.006208      1.627517
  N      -4.993298      2.215185      3.624687
  H      -4.686383      2.720483      2.791854
  H      -5.947323      1.894537      3.449011
101
Coordinates from ORCA-job orca E -6430.118505034215
  N      -3.138646      0.153605      5.043565
  Mo     -3.827116      2.005773      5.243869
  N      -5.136422      2.272900      6.705990
  C      -4.619920      2.513504      8.049081
  C      -3.362874      1.673046      8.253346
  N      -2.458841      1.818336      7.085077
  C      -1.609257      0.617639      6.880498
  C      -2.394934     -0.452853      6.143468
  C      -1.639603      3.055898      7.124763
  C      -1.340104      3.463442      5.678004
  N      -2.582119      3.621164      4.918259
  H      -1.683624     -1.216460      5.775082
  H      -3.083804     -0.984248      6.834467
  H      -0.758477      0.925038      6.257242
  H      -1.211651      0.248596      7.843182
  H      -0.746829      4.398995      5.673031
  H      -0.711037      2.691635      5.199262
  H      -2.239832      3.841639      7.607853
  H      -0.726219      2.902240      7.729592
  H      -5.365760      2.221870      8.814405
  H      -4.398570      3.588294      8.222860
  H      -3.654789      0.613181      8.305644
  H      -2.840241      1.935838      9.191693
  C      -3.631731     -0.848714      4.097054
  C      -2.637186     -1.111097      2.952223
  C      -2.712857     -0.041213      1.880343
  O      -3.973874     -0.270282      1.187813
  C      -4.311549      0.339209      0.035976
  C      -5.252666     -0.326660     -0.746185
  C      -5.711457      0.244071     -1.943294
  N      -5.313101      1.416119     -2.423988
  C      -4.397141      2.092367     -1.672747
  C      -3.960995      3.361516     -2.126998
  C      -3.064076      4.081696     -1.372100
  C      -2.600492      3.528030     -0.155753
  N      -2.969388      2.347475      0.309994
  C      -3.853027      1.617856     -0.426044
  C      -3.110202      4.975648      5.101682
  C      -4.298645      5.326037      4.208101
  C      -3.900213      5.577752      2.758117
  O      -4.887774      5.114437      1.805579
  C      -6.112132      5.661958      1.817977
  C      -6.496175      6.784189      2.542168
  C      -7.835746      7.218674      2.487626
  N      -8.795918      6.650712      1.778364
  C      -8.427203      5.570572      1.022892
  C      -9.395607      4.940198      0.208055
  C      -9.026135      3.865148     -0.570662
  C      -7.688823      3.411944     -0.526839
  N      -6.751727      3.959342      0.229408
  C      -7.103346      5.026414      0.994955
  C      -6.569270      2.452725      6.533790
  C      -7.010603      3.930041      6.410241
  C      -8.315823      4.096977      5.645446
  O      -8.146943      3.419872      4.383374
  C      -9.227451      3.147905      3.634050
  C     -10.461316      3.771826      3.731917
  C     -11.495601      3.377686      2.855475
  N     -11.405432      2.428805      1.935941
  C     -10.200510      1.792657      1.841236
  C     -10.038332      0.753578      0.894912
  C      -8.822325      0.106286      0.805613
  C      -7.772711      0.488603      1.672276
  N      -7.880140      1.452137      2.574123
  C      -9.068295      2.108910      2.658621
  H      -3.837548     -1.792931      4.635810
  H      -4.583083     -0.506196      3.669234
  H      -1.611992     -1.125731      3.357138
  H      -2.820576     -2.096955      2.494095
  H      -1.894725     -0.121917      1.148405
  H      -2.703739      0.967621      2.310241
  H      -5.619020     -1.300279     -0.419293
  H      -6.448511     -0.300120     -2.544741
  H      -4.368502      3.735708     -3.069497
  H      -2.716088      5.065670     -1.687787
  H      -1.888094      4.085773      0.460580
  H      -2.291257      5.700522      4.913530
  H      -3.420622      5.157592      6.154106
  H      -4.807612      6.199936      4.637011
  H      -5.012577      4.488720      4.210645
  H      -3.016090      4.979802      2.507962
  H      -3.676202      6.638907      2.561158
  H      -5.789582      7.331231      3.160670
  H      -8.125268      8.094539      3.079611
  H     -10.414833      5.328713      0.223497
  H      -9.747502      3.355829     -1.207581
  H      -7.378179      2.562093     -1.143427
  H      -7.111071      1.969391      7.373412
  H      -6.867244      1.933224      5.612517
  H      -6.222993      4.478277      5.876156
  H      -7.120954      4.400258      7.401165
  H      -8.538593      5.161328      5.468136
  H      -9.165783      3.641375      6.178361
  H     -10.638005      4.572309      4.448391
  H     -12.460723      3.887312      2.925222
  H     -10.889466      0.494308      0.259044
  H      -8.660647     -0.693484      0.084233
  H      -6.803181     -0.018102      1.627019
  N      -4.988524      2.216873      3.624631
  H      -4.682819      2.729466      2.793665
  H      -5.952997      1.906077      3.457567
101
Coordinates from ORCA-job orca E -6430.117943739348
  N      -3.163006      0.150138      5.039453
  Mo     -3.850738      2.006228      5.230473
  N      -5.145641      2.278816      6.707024
  C      -4.620044      2.522261      8.044090
  C      -3.367750      1.676757      8.244220
  N      -2.468895      1.816809      7.074837
  C      -1.625118      0.616253      6.868310
  C      -2.411895     -0.452506      6.134284
  C      -1.646268      3.050779      7.107040
  C      -1.357247      3.454467      5.656749
  N      -2.601108      3.621054      4.902442
  H      -1.701651     -1.214028      5.761731
  H      -3.092200     -0.984263      6.828602
  H      -0.776945      0.921462      6.242751
  H      -1.223173      0.248441      7.829617
  H      -0.763065      4.385453      5.647031
  H      -0.735217      2.682066      5.176334
  H      -2.237492      3.836879      7.596352
  H      -0.728177      2.893101      7.705380
  H      -5.362393      2.239249      8.815030
  H      -4.390414      3.594942      8.214369
  H      -3.662791      0.620127      8.297222
  H      -2.840390      1.937059      9.179651
  C      -3.652084     -0.853600      4.089663
  C      -2.651144     -1.118562      2.953748
  C      -2.719267     -0.051421      1.881124
  O      -3.974550     -0.285214      1.176509
  C      -4.300865      0.341151      0.031753
  C      -5.244933     -0.308130     -0.757891
  C      -5.696820      0.279781     -1.946982
  N      -5.288612      1.455220     -2.412432
  C      -4.371034      2.116019     -1.652792
  C      -3.926752      3.389949     -2.089799
  C      -3.028146      4.096172     -1.327053
  C      -2.567360      3.521907     -0.122284
  N      -2.942523      2.334771      0.327314
  C      -3.832078      1.621656     -0.414622
  C      -3.113269      4.985589      5.078031
  C      -4.294500      5.345479      4.182243
  C      -3.887268      5.571055      2.727263
  O      -4.879559      5.101151      1.778686
  C      -6.104439      5.651703      1.793751
  C      -6.479834      6.779221      2.512723
  C      -7.819702      7.215160      2.463192
  N      -8.788693      6.641768      1.764127
  C      -8.428775      5.556255      1.014468
  C      -9.408460      4.918802      0.213451
  C      -9.050561      3.837277     -0.557583
  C      -7.712241      3.387361     -0.520849
  N      -6.764780      3.940993      0.223054
  C      -7.105462      5.012340      0.982003
  C      -6.580428      2.460648      6.541900
  C      -7.014313      3.931346      6.422250
  C      -8.321497      4.107452      5.666439
  O      -8.155577      3.408917      4.414953
  C      -9.229965      3.134866      3.664765
  C     -10.475587      3.744138      3.776848
  C     -11.505788      3.347991      2.901999
  N     -11.393093      2.413947      1.962513
  C     -10.174717      1.793245      1.850505
  C      -9.993020      0.767639      0.884021
  C      -8.786196      0.121892      0.795976
  C      -7.758227      0.495568      1.678871
  N      -7.875763      1.452324      2.592609
  C      -9.057871      2.106318      2.677961
  H      -3.862564     -1.794295      4.629303
  H      -4.602794     -0.514594      3.653894
  H      -1.631330     -1.137824      3.367257
  H      -2.833629     -2.102890      2.493885
  H      -1.896737     -0.133841      1.158461
  H      -2.715840      0.958215      2.308177
  H      -5.621250     -1.280715     -0.439670
  H      -6.436564     -0.251223     -2.553538
  H      -4.330168      3.778889     -3.025148
  H      -2.676987      5.084680     -1.631784
  H      -1.856987      4.070256      0.499808
  H      -2.280932      5.698383      4.880755
  H      -3.421884      5.182600      6.132886
  H      -4.791245      6.232709      4.604838
  H      -5.025348      4.516118      4.196862
  H      -3.006987      4.958636      2.487702
  H      -3.647947      6.629593      2.513695
  H      -5.765584      7.329652      3.123169
  H      -8.100560      8.096650      3.050557
  H     -10.427222      5.306412      0.233077
  H      -9.781310      3.322695     -1.184621
  H      -7.410665      2.534847     -1.131504
  H      -7.120747      1.980314      7.376783
  H      -6.886766      1.945239      5.627249
  H      -6.222285      4.471831      5.885923
  H      -7.116981      4.403248      7.410047
  H      -8.527568      5.177601      5.475370
  H      -9.183622      3.671352      6.207965
  H     -10.666239      4.532108      4.506475
  H     -12.490798      3.839890      2.993539
  H     -10.831455      0.511609      0.240301
  H      -8.615232     -0.671139      0.063891
  H      -6.798582     -0.012325      1.637207
  N      -5.014571      2.217847      3.617211
  H      -4.719053      2.734532      2.787842
  H      -5.993400      1.918872      3.468573
101
Coordinates from ORCA-job orca E -6430.118554158470
  N      -3.155937      0.149109      5.038589
  Mo     -3.843232      2.004245      5.228792
  N      -5.138219      2.276466      6.705034
  C      -4.612697      2.521033      8.042765
  C      -3.358783      1.676682      8.241500
  N      -2.460140      1.818175      7.070911
  C      -1.615338      0.616958      6.864733
  C      -2.403408     -0.455064      6.133876
  C      -1.639304      3.054114      7.103618
  C      -1.354719      3.462182      5.656155
  N      -2.599198      3.622264      4.902343
  H      -1.691870     -1.219439      5.760130
  H      -3.085576     -0.987481      6.831319
  H      -0.766872      0.921762      6.237852
  H      -1.213499      0.250492      7.826893
  H      -0.765189      4.395079      5.649602
  H      -0.730231      2.696148      5.173485
  H      -2.230934      3.836777      7.594881
  H      -0.720493      2.899154      7.699270
  H      -5.354897      2.236322      8.814040
  H      -4.384550      3.594882      8.212187
  H      -3.653135      0.618991      8.294151
  H      -2.831114      1.937580      9.177042
  C      -3.651078     -0.853936      4.090275
  C      -2.653866     -1.123058      2.950282
  C      -2.718762     -0.054692      1.877809
  O      -3.976423     -0.281217      1.175573
  C      -4.299108      0.347991      0.030224
  C      -5.238172     -0.301489     -0.766080
  C      -5.679171      0.285417     -1.958427
  N      -5.264827      1.458861     -2.421688
  C      -4.351779      2.119826     -1.655960
  C      -3.898524      3.389391     -2.092641
  C      -3.004275      4.096133     -1.323806
  C      -2.558033      3.527573     -0.112101
  N      -2.940724      2.343116      0.336830
  C      -3.824583      1.628128     -0.412389
  C      -3.120447      4.979445      5.083324
  C      -4.304295      5.334114      4.187522
  C      -3.901044      5.574603      2.734658
  O      -4.885962      5.102006      1.782887
  C      -6.114502      5.643255      1.797599
  C      -6.499409      6.765997      2.518012
  C      -7.841469      7.195422      2.466597
  N      -8.805233      6.619304      1.766147
  C      -8.437446      5.536317      1.017484
  C      -9.413186      4.893605      0.217779
  C      -9.045485      3.815336     -0.554730
  C      -7.700152      3.373826     -0.522309
  N      -6.757285      3.931756      0.221920
  C      -7.109209      4.999603      0.984215
  C      -6.574104      2.457867      6.542570
  C      -7.009691      3.936470      6.417941
  C      -8.319948      4.104246      5.664577
  O      -8.155248      3.423048      4.409634
  C      -9.235124      3.151987      3.660900
  C     -10.467208      3.777372      3.760740
  C     -11.501336      3.386122      2.885578
  N     -11.411276      2.439268      1.963261
  C     -10.206834      1.803407      1.864444
  C     -10.041394      0.770761      0.909151
  C      -8.824904      0.124600      0.812748
  C      -7.779393      0.501589      1.682215
  N      -7.889341      1.460066      2.592028
  C      -9.076933      2.115619      2.683195
  H      -3.863835     -1.794584      4.631837
  H      -4.601228     -0.511286      3.656590
  H      -1.632467     -1.147205      3.360233
  H      -2.842927     -2.106645      2.490735
  H      -1.895676     -0.139043      1.152361
  H      -2.710414      0.955094      2.307282
  H      -5.617350     -1.274735     -0.451920
  H      -6.414046     -0.246080     -2.570575
  H      -4.291339      3.775001     -3.032969
  H      -2.645638      5.080792     -1.628331
  H      -1.852155      4.078571      0.516738
  H      -2.296612      5.698427      4.892813
  H      -3.430007      5.166242      6.136434
  H      -4.808899      6.212140      4.613874
  H      -5.026004      4.501415      4.195101
  H      -3.015028      4.975542      2.492702
  H      -3.676336      6.634745      2.527941
  H      -5.790471      7.318430      3.129926
  H      -8.129346      8.073699      3.054042
  H     -10.436057      5.275184      0.239198
  H      -9.773235      3.295837     -1.179281
  H      -7.387711      2.524280     -1.138123
  H      -7.114613      1.978324      7.385774
  H      -6.879762      1.935719      5.627343
  H      -6.218660      4.479996      5.874946
  H      -7.113099      4.414341      7.409304
  H      -8.539234      5.166960      5.484588
  H      -9.172118      3.655470      6.200752
  H     -10.641612      4.576667      4.477816
  H     -12.466647      3.896105      2.959271
  H     -10.887768      0.517659      0.269352
  H      -8.659097     -0.669489      0.082712
  H      -6.809384     -0.003268      1.629095
  N      -5.007938      2.213922      3.616012
  H      -4.714330      2.735951      2.786740
  H      -5.981644      1.907953      3.464383
101
Coordinates from ORCA-job orca E -6430.117890918806
  N      -3.133893      0.156181      5.056697
  Mo     -3.816769      2.007358      5.263888
  N      -5.133849      2.274237      6.716843
  C      -4.619455      2.517413      8.061466
  C      -3.358751      1.681105      8.268726
  N      -2.455149      1.823421      7.097119
  C      -1.605620      0.617947      6.895651
  C      -2.394744     -0.451831      6.158382
  C      -1.632189      3.060930      7.133710
  C      -1.325254      3.463157      5.685513
  N      -2.568090      3.621512      4.925634
  H      -1.686350     -1.215607      5.794116
  H      -3.089380     -0.981123      6.846961
  H      -0.750916      0.921887      6.273144
  H      -1.212372      0.247287      7.860197
  H      -0.724056      4.399761      5.676774
  H      -0.697193      2.682304      5.207961
  H      -2.234433      3.852857      7.610161
  H      -0.721438      2.908201      7.741141
  H      -5.364856      2.223934      8.824564
  H      -4.402530      3.592908      8.232271
  H      -3.649805      0.619997      8.326135
  H      -2.834980      1.948599      9.205835
  C      -3.620123     -0.844375      4.106121
  C      -2.621137     -1.098450      2.958627
  C      -2.697132     -0.026904      1.887842
  O      -3.955161     -0.256385      1.195468
  C      -4.307244      0.340436      0.042165
  C      -5.255546     -0.333473     -0.725810
  C      -5.735388      0.229364     -1.921663
  N      -5.351394      1.399627     -2.414746
  C      -4.426910      2.082728     -1.678478
  C      -4.003730      3.349270     -2.145899
  C      -3.095907      4.073512     -1.407306
  C      -2.610608      3.527730     -0.192112
  N      -2.969303      2.352315      0.285652
  C      -3.860387      1.616570     -0.434896
  C      -3.097044      4.976162      5.106909
  C      -4.288857      5.319210      4.214576
  C      -3.896917      5.556003      2.758411
  O      -4.895671      5.090337      1.814588
  C      -6.113814      5.651987      1.824621
  C      -6.483496      6.782014      2.544755
  C      -7.816436      7.234774      2.482598
  N      -8.781153      6.679292      1.767306
  C      -8.425403      5.591729      1.014653
  C      -9.395915      4.974789      0.190294
  C      -9.039828      3.892382     -0.584711
  C      -7.713926      3.418337     -0.527692
  N      -6.773622      3.952602      0.235960
  C      -7.111871      5.026958      0.997927
  C      -6.565913      2.442456      6.542639
  C      -7.023413      3.909959      6.424525
  C      -8.330927      4.067458      5.659415
  O      -8.159759      3.386922      4.388806
  C      -9.244168      3.127759      3.636427
  C     -10.474250      3.759462      3.729950
  C     -11.499363      3.380869      2.837471
  N     -11.403641      2.440924      1.906780
  C     -10.203936      1.796926      1.818690
  C     -10.029264      0.771278      0.855781
  C      -8.809456      0.123348      0.765405
  C      -7.769457      0.490890      1.650821
  N      -7.888957      1.439869      2.568403
  C      -9.080290      2.097153      2.651501
  H      -3.822298     -1.795139      4.639340
  H      -4.571326     -0.502951      3.679882
  H      -1.593308     -1.108237      3.364381
  H      -2.800547     -2.084367      2.495996
  H      -1.880596     -0.103401      1.154611
  H      -2.688116      0.976348      2.320229
  H      -5.611005     -1.307323     -0.390034
  H      -6.478863     -0.321069     -2.511908
  H      -4.429625      3.718195     -3.085817
  H      -2.754339      5.053979     -1.732226
  H      -1.887860      4.088750      0.412969
  H      -2.281176      5.704678      4.913041
  H      -3.406076      5.161442      6.160225
  H      -4.791151      6.199742      4.637984
  H      -5.006565      4.486330      4.226435
  H      -3.014765      4.951686      2.503717
  H      -3.670407      6.615216      2.554744
  H      -5.770380      7.321224      3.165333
  H      -8.096518      8.116375      3.071644
  H     -10.405889      5.379746      0.195133
  H      -9.765904      3.390791     -1.225616
  H      -7.413875      2.562897     -1.141302
  H      -7.098871      1.953289      7.378800
  H      -6.858950      1.923685      5.619564
  H      -6.247009      4.463911      5.898541
  H      -7.136965      4.368708      7.410681
  H      -8.562277      5.134391      5.483733
  H      -9.176943      3.601843      6.198531
  H     -10.652700      4.556253      4.452233
  H     -12.456156      3.899198      2.898199
  H     -10.868682      0.526819      0.202667
  H      -8.637123     -0.665358      0.029561
  H      -6.796736     -0.014737      1.606480
  N      -4.973339      2.222403      3.638310
  H      -4.666897      2.738039      2.808975
  H      -5.927173      1.898015      3.462158
101
Coordinates from ORCA-job orca E -6430.118596967627
  N      -3.153913      0.154634      5.045715
  Mo     -3.834946      2.009512      5.240856
  N      -5.132946      2.278128      6.711601
  C      -4.606853      2.522581      8.049558
  C      -3.350876      1.681046      8.249135
  N      -2.454591      1.821303      7.076240
  C      -1.610426      0.618638      6.869664
  C      -2.402475     -0.450966      6.138495
  C      -1.631542      3.055504      7.109587
  C      -1.342467      3.461994      5.660814
  N      -2.589699      3.625162      4.911671
  H      -1.695278     -1.215330      5.765495
  H      -3.086356     -0.980758      6.835068
  H      -0.761573      0.921819      6.242421
  H      -1.209502      0.250036      7.831087
  H      -0.746466      4.395304      5.651866
  H      -0.720174      2.688548      5.176280
  H      -2.225484      3.843299      7.596793
  H      -0.714061      2.899138      7.708267
  H      -5.347409      2.235870      8.819451
  H      -4.381467      3.595916      8.218178
  H      -3.644696      0.623002      8.305592
  H      -2.821671      1.944905      9.183231
  C      -3.650334     -0.845980      4.103610
  C      -2.659006     -1.115934      2.961225
  C      -2.724989     -0.048601      1.886535
  O      -3.982575     -0.277470      1.183377
  C      -4.311746      0.338417      0.034651
  C      -5.255477     -0.319836     -0.749090
  C      -5.705794      0.256980     -1.942930
  N      -5.298540      1.429852     -2.418181
  C      -4.380783      2.099753     -1.664984
  C      -3.935502      3.370001     -2.112904
  C      -3.034184      4.083837     -1.356760
  C      -2.573287      3.522082     -0.146535
  N      -2.951132      2.339697      0.313314
  C      -3.841656      1.617085     -0.422527
  C      -3.111908      4.980254      5.101127
  C      -4.298026      5.338928      4.209385
  C      -3.898155      5.588291      2.759006
  O      -4.884508      5.123978      1.804576
  C      -6.106053      5.677144      1.809442
  C      -6.484474      6.806750      2.523025
  C      -7.821817      7.245472      2.461901
  N      -8.785292      6.673633      1.757015
  C      -8.421682      5.585967      1.011887
  C      -9.394650      4.950039      0.203584
  C      -9.031146      3.867745     -0.564882
  C      -7.694455      3.414394     -0.517879
  N      -6.753495      3.966007      0.233230
  C      -7.099729      5.038916      0.989409
  C      -6.567036      2.447330      6.548584
  C      -7.016924      3.920081      6.414231
  C      -8.326959      4.071515      5.654057
  O      -8.158745      3.387875      4.395483
  C      -9.237403      3.121628      3.643163
  C     -10.474336      3.743178      3.746016
  C     -11.506681      3.353639      2.866877
  N     -11.410499      2.411379      1.939115
  C     -10.202842      1.778219      1.839254
  C     -10.037393      0.745037      0.886151
  C      -8.824291      0.098376      0.795862
  C      -7.778331      0.476396      1.666469
  N      -7.887013      1.434627      2.573734
  C      -9.074013      2.089761      2.660518
  H      -3.858053     -1.787922      4.643701
  H      -4.600525     -0.501190      3.676247
  H      -1.636244     -1.139306      3.367990
  H      -2.849983     -2.098551      2.505103
  H      -1.900912     -0.133498      1.161091
  H      -2.717092      0.961927      2.314882
  H      -5.630683     -1.292482     -0.424101
  H      -6.444738     -0.281486     -2.546000
  H      -4.339633      3.750278     -3.051487
  H      -2.679817      5.068671     -1.668265
  H      -1.856570      4.075318      0.470968
  H      -2.291075      5.702549      4.913248
  H      -3.420145      5.159683      6.153965
  H      -4.800187      6.215925      4.639463
  H      -5.017961      4.506673      4.213722
  H      -3.013197      4.988419      2.511087
  H      -3.673163      6.649708      2.560909
  H      -5.775438      7.356488      3.138075
  H      -8.107269      8.127796      3.045276
  H     -10.413555      5.339912      0.216539
  H      -9.757161      3.353221     -1.195859
  H      -7.388593      2.560353     -1.125852
  H      -7.099081      1.969189      7.396065
  H      -6.868915      1.916306      5.634428
  H      -6.235748      4.468598      5.868884
  H      -7.122610      4.399218      7.402915
  H      -8.557280      5.133013      5.469672
  H      -9.171148      3.613552      6.193191
  H     -10.655567      4.536643      4.470594
  H     -12.477465      3.858970      2.943395
  H     -10.886590      0.488436      0.248132
  H      -8.662340     -0.697970      0.071117
  H      -6.811388     -0.029837      1.619785
  N      -4.999640      2.226546      3.624152
  H      -4.707256      2.750059      2.798032
  H      -5.954453      1.896678      3.454582
101
Coordinates from ORCA-job orca E -6430.117993964242
  N      -3.179350      0.144314      5.043924
  Mo     -3.855792      2.005434      5.231585
  N      -5.146245      2.287598      6.710334
  C      -4.617473      2.543487      8.044530
  C      -3.368693      1.692349      8.248620
  N      -2.471906      1.817516      7.074105
  C      -1.638252      0.608097      6.873827
  C      -2.433291     -0.461020      6.146632
  C      -1.640888      3.047086      7.095862
  C      -1.360412      3.446184      5.646337
  N      -2.604659      3.616332      4.893065
  H      -1.723739     -1.233852      5.778478
  H      -3.119982     -0.985209      6.846197
  H      -0.787282      0.903224      6.246271
  H      -1.239661      0.243382      7.838159
  H      -0.765333      4.371281      5.635428
  H      -0.744954      2.676868      5.166774
  H      -2.222790      3.834003      7.586170
  H      -0.720678      2.888211      7.687852
  H      -5.360625      2.272892      8.822254
  H      -4.380931      3.618566      8.201858
  H      -3.668116      0.636377      8.312574
  H      -2.837194      1.959721      9.180506
  C      -3.659497     -0.856096      4.076031
  C      -2.647408     -1.108028      2.939911
  C      -2.715842     -0.029296      1.876341
  O      -3.966665     -0.260303      1.171418
  C      -4.295944      0.374980      0.030201
  C      -5.252284     -0.260878     -0.757626
  C      -5.700682      0.329206     -1.947325
  N      -5.277469      1.493764     -2.415987
  C      -4.348021      2.141127     -1.658590
  C      -3.886021      3.402264     -2.100607
  C      -2.974300      4.094688     -1.342547
  C      -2.517995      3.518820     -0.136609
  N      -2.908635      2.342521      0.317658
  C      -3.811532      1.644230     -0.419835
  C      -3.110364      4.981901      5.068955
  C      -4.292388      5.343554      4.174736
  C      -3.887027      5.567991      2.719540
  O      -4.874508      5.088075      1.774673
  C      -6.104525      5.626422      1.796868
  C      -6.488961      6.746512      2.521673
  C      -7.834599      7.171560      2.483037
  N      -8.801731      6.594074      1.789690
  C      -8.434392      5.513255      1.037400
  C      -9.412467      4.870522      0.243113
  C      -9.043752      3.796758     -0.536338
  C      -7.698051      3.356281     -0.512233
  N      -6.753549      3.913815      0.228618
  C      -7.103759      4.980283      0.992838
  C      -6.584284      2.468150      6.547643
  C      -7.015018      3.941699      6.414905
  C      -8.330373      4.107736      5.672322
  O      -8.169580      3.402734      4.430009
  C      -9.244004      3.131032      3.677203
  C     -10.472305      3.757633      3.771431
  C     -11.501388      3.368095      2.891908
  N     -11.407615      2.423334      1.967088
  C     -10.204030      1.787632      1.869696
  C     -10.030325      0.760218      0.904868
  C      -8.811814      0.118885      0.802645
  C      -7.776202      0.491017      1.681104
  N      -7.896047      1.442128      2.603300
  C      -9.082456      2.096400      2.696243
  H      -3.875729     -1.804610      4.606750
  H      -4.608731     -0.516694      3.634104
  H      -1.627116     -1.125663      3.355785
  H      -2.823317     -2.094156      2.469778
  H      -1.891877     -0.099389      1.153738
  H      -2.719468      0.976521      2.311318
  H      -5.640490     -1.224583     -0.437047
  H      -6.449058     -0.192285     -2.551889
  H      -4.286296      3.792619     -3.036605
  H      -2.609002      5.073098     -1.652488
  H      -1.797067      4.055792      0.481045
  H      -2.276730      5.690777      4.868935
  H      -3.414567      5.181751      6.124606
  H      -4.787096      6.230496      4.596207
  H      -5.024701      4.518027      4.190440
  H      -3.004145      4.963272      2.484682
  H      -3.657445      6.625815      2.500468
  H      -5.777180      7.299831      3.128638
  H      -8.120886      8.048253      3.073553
  H     -10.435758      5.250609      0.270592
  H      -9.768789      3.282626     -1.163924
  H      -7.385668      2.509756     -1.133882
  H      -7.125501      1.996031      7.390579
  H      -6.892423      1.944244      5.640566
  H      -6.220435      4.474041      5.861595
  H      -7.111211      4.430883      7.400622
  H      -8.541551      5.170962      5.476751
  H      -9.188484      3.674665      6.219999
  H     -10.648282      4.556046      4.488170
  H     -12.464912      3.879049      2.963775
  H     -10.872690      0.507429      0.262542
  H      -8.636312     -0.668380      0.060673
  H      -6.805568     -0.011053      1.622373
  N      -5.016668      2.221558      3.618483
  H      -4.726705      2.751709      2.786939
  H      -5.991290      1.901034      3.467268
101
Coordinates from ORCA-job orca E -6430.118727245489
  N      -3.157389      0.150728      5.045031
  Mo     -3.840838      2.005305      5.235843
  N      -5.135999      2.282597      6.710336
  C      -4.609476      2.529558      8.046675
  C      -3.355440      1.684724      8.247392
  N      -2.458286      1.821073      7.075499
  C      -1.615533      0.618072      6.870983
  C      -2.405032     -0.452688      6.140226
  C      -1.634196      3.054902      7.102992
  C      -1.343815      3.453786      5.649361
  N      -2.590085      3.620402      4.897984
  H      -1.695879     -1.215402      5.767725
  H      -3.086447     -0.983552      6.836379
  H      -0.766869      0.920807      6.244745
  H      -1.214306      0.251361      7.833083
  H      -0.743931      4.386159      5.633899
  H      -0.723311      2.674029      5.168076
  H      -2.226337      3.846118      7.588439
  H      -0.716645      2.898678      7.702268
  H      -5.351260      2.247824      8.817821
  H      -4.380471      3.602647      8.212166
  H      -3.651108      0.627997      8.304012
  H      -2.825998      1.947693      9.180947
  C      -3.649898     -0.850626      4.095719
  C      -2.651433     -1.120690      2.957075
  C      -2.714043     -0.053070      1.883602
  O      -3.970221     -0.279237      1.180670
  C      -4.301369      0.350807      0.037333
  C      -5.251412     -0.295234     -0.750580
  C      -5.705341      0.294765     -1.939468
  N      -5.293737      1.467849     -2.407339
  C      -4.367959      2.124015     -1.651150
  C      -3.915710      3.392071     -2.093428
  C      -3.006348      4.092986     -1.335609
  C      -2.545449      3.520984     -0.128251
  N      -2.928746      2.339333      0.326304
  C      -3.826018      1.628880     -0.412146
  C      -3.106573      4.979915      5.082176
  C      -4.293193      5.340406      4.190976
  C      -3.895572      5.576867      2.735748
  O      -4.884490      5.099929      1.789420
  C      -6.112700      5.643114      1.805155
  C      -6.495521      6.766668      2.526134
  C      -7.837150      7.199935      2.474050
  N      -8.801875      6.627096      1.771754
  C      -8.435502      5.542870      1.022354
  C      -9.410867      4.903659      0.219206
  C      -9.045886      3.823342     -0.551601
  C      -7.703797      3.376364     -0.514686
  N      -6.759807      3.931454      0.230993
  C      -7.108858      5.001535      0.991317
  C      -6.572882      2.455764      6.547723
  C      -7.019429      3.929709      6.415330
  C      -8.330505      4.087205      5.661830
  O      -8.162746      3.399419      4.406203
  C      -9.241614      3.134856      3.652408
  C     -10.474319      3.763552      3.749728
  C     -11.507105      3.377439      2.869432
  N     -11.413319      2.434400      1.942457
  C     -10.207324      1.797134      1.844516
  C     -10.037669      0.769993      0.883111
  C      -8.823045      0.121988      0.790018
  C      -7.781319      0.492039      1.667774
  N      -7.893515      1.445026      2.582212
  C      -9.080427      2.102131      2.670573
  H      -3.862827     -1.791597      4.635384
  H      -4.599381     -0.507088      3.661743
  H      -1.629834     -1.147281      3.367747
  H      -2.842476     -2.103072      2.497654
  H      -1.890609     -0.137233      1.159866
  H      -2.706674      0.955683      2.312336
  H      -5.629883     -1.267792     -0.431698
  H      -6.450005     -0.233459     -2.544541
  H      -4.320953      3.781096     -3.029735
  H      -2.646278      5.075195     -1.645109
  H      -1.825898      4.066480      0.491721
  H      -2.280751      5.697720      4.889717
  H      -3.413158      5.167608      6.136638
  H      -4.789362      6.223228      4.619151
  H      -5.021653      4.513559      4.202356
  H      -3.009225      4.978925      2.491893
  H      -3.674206      6.636581      2.525668
  H      -5.785449      7.317000      3.138995
  H      -8.123868      8.079186      3.061419
  H     -10.431526      5.289712      0.237777
  H      -9.774369      3.305083     -1.176829
  H      -7.394553      2.524938     -1.128011
  H      -7.109068      1.977610      7.393334
  H      -6.875344      1.927196      5.635119
  H      -6.235296      4.473613      5.871285
  H      -7.125159      4.409134      7.401309
  H      -8.557504      5.150232      5.477606
  H      -9.179468      3.634402      6.203167
  H     -10.649239      4.561751      4.468543
  H     -12.472530      3.889413      2.940898
  H     -10.880963      0.522557      0.237009
  H      -8.655781     -0.668221      0.056558
  H      -6.813506     -0.014219      1.617741
  N      -5.001589      2.219751      3.619423
  H      -4.719856      2.761635      2.803182
  H      -5.967623      1.898830      3.461608
101
Coordinates from ORCA-job orca E -6430.118376988511
  N      -3.170051      0.150342      5.054284
  Mo     -3.832972      2.012555      5.246606
  N      -5.127922      2.286436      6.718082
  C      -4.595680      2.544326      8.053674
  C      -3.341726      1.698024      8.254210
  N      -2.448875      1.823509      7.071829
  C      -1.615430      0.608390      6.868946
  C      -2.421651     -0.459849      6.146732
  C      -1.613781      3.052876      7.095291
  C      -1.339118      3.461974      5.653249
  N      -2.589608      3.626289      4.912850
  H      -1.720484     -1.234644      5.774987
  H      -3.112800     -0.982465      6.849661
  H      -0.761550      0.898866      6.236442
  H      -1.218127      0.240171      7.832831
  H      -0.743379      4.389663      5.648719
  H      -0.725413      2.697618      5.163341
  H      -2.194751      3.839187      7.588757
  H      -0.692375      2.893609      7.680490
  H      -5.334737      2.268699      8.832420
  H      -4.363978      3.621416      8.209068
  H      -3.641224      0.639322      8.323539
  H      -2.805940      1.969729      9.183843
  C      -3.659384     -0.847085      4.108037
  C      -2.660750     -1.107482      2.968161
  C      -2.722733     -0.035393      1.898475
  O      -3.972192     -0.272898      1.181830
  C      -4.301690      0.337111      0.033365
  C      -5.245359     -0.324421     -0.745855
  C      -5.700889      0.248384     -1.938612
  N      -5.301108      1.421565     -2.416502
  C      -4.383511      2.095122     -1.667598
  C      -3.946192      3.366316     -2.117520
  C      -3.043821      4.082039     -1.366685
  C      -2.572326      3.520199     -0.159805
  N      -2.943291      2.338021      0.301368
  C      -3.836195      1.614682     -0.428334
  C      -3.108167      4.979634      5.107772
  C      -4.296968      5.337106      4.219789
  C      -3.902203      5.578764      2.765148
  O      -4.894396      5.112797      1.814611
  C      -6.113927      5.670228      1.820820
  C      -6.487540      6.800635      2.537355
  C      -7.821134      7.245921      2.473823
  N      -8.784935      6.680975      1.763597
  C      -8.425414      5.593249      1.014247
  C      -9.397400      4.965957      0.198243
  C      -9.038889      3.883111     -0.573772
  C      -7.707679      3.420861     -0.522841
  N      -6.767382      3.964173      0.235371
  C      -7.108997      5.037897      0.995690
  C      -6.561608      2.448947      6.557962
  C      -7.017991      3.916215      6.415680
  C      -8.330649      4.057599      5.656020
  O      -8.164407      3.364516      4.400121
  C      -9.243163      3.106312      3.644661
  C     -10.475764      3.733366      3.742271
  C     -11.503517      3.351342      2.854960
  N     -11.406609      2.412373      1.923496
  C     -10.203268      1.774270      1.828858
  C     -10.032558      0.748087      0.867476
  C      -8.818653      0.101826      0.776194
  C      -7.777301      0.472587      1.655571
  N      -7.891494      1.423054      2.571081
  C      -9.079495      2.077849      2.658084
  H      -3.866762     -1.793659      4.643187
  H      -4.607933     -0.503130      3.677647
  H      -1.638625     -1.126190      3.381074
  H      -2.844128     -2.090144      2.504274
  H      -1.890314     -0.109768      1.178525
  H      -2.726004      0.972250      2.334466
  H      -5.617086     -1.296250     -0.418358
  H      -6.439254     -0.293659     -2.538088
  H      -4.357303      3.745476     -3.053404
  H      -2.694957      5.067369     -1.679073
  H      -1.852399      4.073279      0.453196
  H      -2.288793      5.701796      4.916477
  H      -3.410968      5.158279      6.162134
  H      -4.794404      6.217420      4.648592
  H      -5.019021      4.507456      4.230084
  H      -3.017703      4.975027      2.513661
  H      -3.676071      6.639803      2.563072
  H      -5.776603      7.345862      3.155814
  H      -8.103532      8.128506      3.059871
  H     -10.411980      5.362229      0.207601
  H      -9.766780      3.374167     -1.208969
  H      -7.405109      2.566813     -1.134256
  H      -7.086341      1.974963      7.409113
  H      -6.864369      1.911131      5.648037
  H      -6.241766      4.462921      5.867984
  H      -7.123280      4.398015      7.399584
  H      -8.564572      5.117140      5.464146
  H      -9.172141      3.600044      6.201601
  H     -10.656161      4.527012      4.467255
  H     -12.470351      3.861277      2.927131
  H     -10.875120      0.499748      0.220341
  H      -8.651137     -0.687848      0.042905
  H      -6.806957     -0.030928      1.605789
  N      -5.000017      2.234654      3.630526
  H      -4.703853      2.747410      2.791239
  H      -5.954890      1.897292      3.466211
101
Coordinates from ORCA-job orca E -6430.118811994400
  N      -3.172536      0.149712      5.050849
  Mo     -3.844261      2.008777      5.240698
  N      -5.135831      2.288206      6.716007
  C      -4.604948      2.540351      8.050271
  C      -3.353218      1.692686      8.251645
  N      -2.459620      1.820916      7.075292
  C      -1.623772      0.611639      6.872918
  C      -2.421357     -0.456137      6.145015
  C      -1.628725      3.050564      7.098318
  C      -1.344153      3.448086      5.645319
  N      -2.593309      3.619386      4.900780
  H      -1.716480     -1.223224      5.772571
  H      -3.105281     -0.982462      6.843338
  H      -0.772794      0.907108      6.244585
  H      -1.224764      0.244115      7.835977
  H      -0.740762      4.376283      5.628888
  H      -0.730751      2.667180      5.161617
  H      -2.214422      3.844189      7.585362
  H      -0.709110      2.890839      7.692885
  H      -5.344883      2.264512      8.825293
  H      -4.372229      3.613806      8.209808
  H      -3.652078      0.636520      8.315221
  H      -2.819893      1.959331      9.182622
  C      -3.660387     -0.849464      4.095845
  C      -2.657753     -1.112480      2.957088
  C      -2.719850     -0.040580      1.886353
  O      -3.971205     -0.270316      1.177282
  C      -4.302670      0.354276      0.032637
  C      -5.251609     -0.295539     -0.751862
  C      -5.702602      0.286585     -1.943856
  N      -5.290603      1.456732     -2.417101
  C      -4.368235      2.118424     -1.663198
  C      -3.917869      3.385844     -2.108942
  C      -3.010869      4.090950     -1.353828
  C      -2.548696      3.522593     -0.146665
  N      -2.931078      2.342737      0.311095
  C      -3.827891      1.629781     -0.423082
  C      -3.105250      4.978901      5.088867
  C      -4.291482      5.342111      4.199945
  C      -3.895245      5.581895      2.745864
  O      -4.884442      5.110094      1.797681
  C      -6.108258      5.659348      1.808800
  C      -6.487267      6.786913      2.525462
  C      -7.825337      7.223827      2.468597
  N      -8.789278      6.651741      1.765553
  C      -8.426173      5.564496      1.019671
  C      -9.399492      4.928073      0.213576
  C      -9.034974      3.847669     -0.558577
  C      -7.697898      3.395637     -0.516261
  N      -6.757004      3.947462      0.233676
  C      -7.103648      5.019322      0.992804
  C      -6.571909      2.456883      6.556464
  C      -7.020249      3.926921      6.415830
  C      -8.335048      4.074550      5.664516
  O      -8.169622      3.377719      4.413067
  C      -9.246096      3.114031      3.657584
  C     -10.480229      3.738927      3.755047
  C     -11.507558      3.353359      2.870015
  N     -11.410696      2.411168      1.942303
  C     -10.206211      1.775116      1.847390
  C     -10.036965      0.745223      0.889905
  C      -8.820219      0.101816      0.795801
  C      -7.777485      0.477309      1.670638
  N      -7.892203      1.430319      2.584910
  C      -9.080840      2.083558      2.673381
  H      -3.873210     -1.795665      4.630147
  H      -4.608873     -0.505920      3.661320
  H      -1.635988     -1.135745      3.370019
  H      -2.843737     -2.096250      2.493499
  H      -1.894088     -0.120028      1.165755
  H      -2.717494      0.966521      2.316433
  H      -5.630564     -1.265484     -0.428094
  H      -6.445403     -0.245907     -2.546950
  H      -4.322881      3.770980     -3.045486
  H      -2.652509      5.073282     -1.664955
  H      -1.828583      4.068875      0.469926
  H      -2.279466      5.695282      4.894898
  H      -3.408924      5.164989      6.143509
  H      -4.785710      6.223917      4.628861
  H      -5.018269      4.515804      4.210879
  H      -3.010200      4.981515      2.499488
  H      -3.672124      6.642245      2.539054
  H      -5.777319      7.337078      3.138732
  H      -8.110105      8.105543      3.053064
  H     -10.418016      5.317155      0.229019
  H      -9.759864      3.334314     -1.189822
  H      -7.390115      2.543598     -1.129158
  H      -7.102745      1.984153      7.406166
  H      -6.876811      1.922307      5.648638
  H      -6.239003      4.468355      5.862438
  H      -7.120661      4.414025      7.399954
  H      -8.564035      5.135489      5.472132
  H      -9.180821      3.623575      6.211587
  H     -10.661763      4.533021      4.478872
  H     -12.473976      3.862499      2.941275
  H     -10.883043      0.491384      0.247889
  H      -8.652514     -0.689647      0.064110
  H      -6.807395     -0.025394      1.619372
  N      -5.005722      2.230173      3.623886
  H      -4.721577      2.767308      2.801394
  H      -5.958121      1.887960      3.454449
101
Coordinates from ORCA-job orca E -6430.118591819773
  N      -3.163599      0.153759      5.046847
  Mo     -3.837167      2.011242      5.241611
  N      -5.133179      2.290308      6.713342
  C      -4.604263      2.542815      8.047944
  C      -3.350853      1.696118      8.250077
  N      -2.455817      1.824775      7.074790
  C      -1.618799      0.616604      6.872178
  C      -2.416463     -0.452534      6.146304
  C      -1.625752      3.053802      7.099369
  C      -1.337191      3.452727      5.648907
  N      -2.583513      3.623347      4.897352
  H      -1.710866     -1.224172      5.778472
  H      -3.104803     -0.976235      6.845687
  H      -0.768709      0.913271      6.244449
  H      -1.219217      0.250073      7.834789
  H      -0.735205      4.381205      5.636077
  H      -0.719347      2.675286      5.167182
  H      -2.214056      3.845481      7.584400
  H      -0.707931      2.895636      7.696257
  H      -5.345579      2.265680      8.821446
  H      -4.372901      3.616486      8.207498
  H      -3.649303      0.639963      8.313282
  H      -2.817882      1.962980      9.180598
  C      -3.652808     -0.843743      4.098236
  C      -2.654167     -1.112937      2.962826
  C      -2.714867     -0.045064      1.890049
  O      -3.966555     -0.281048      1.176932
  C      -4.299951      0.346422      0.034574
  C      -5.255900     -0.298112     -0.748338
  C      -5.718154      0.293097     -1.934192
  N      -5.310572      1.466081     -2.403882
  C      -4.377685      2.119766     -1.653518
  C      -3.929674      3.388101     -2.097458
  C      -3.012244      4.085782     -1.346433
  C      -2.538343      3.509740     -0.143704
  N      -2.918610      2.329109      0.312514
  C      -3.824606      1.622348     -0.418929
  C      -3.095816      4.984734      5.083510
  C      -4.280479      5.353236      4.192397
  C      -3.881462      5.588595      2.738735
  O      -4.870461      5.109774      1.794341
  C      -6.098233      5.652932      1.809872
  C      -6.481105      6.776183      2.529640
  C      -7.826454      7.205724      2.484119
  N      -8.794198      6.630055      1.788267
  C      -8.427313      5.546073      1.039959
  C      -9.407298      4.902346      0.245181
  C      -9.042774      3.821530     -0.522009
  C      -7.696348      3.378388     -0.489667
  N      -6.748362      3.937049      0.248682
  C      -7.096893      5.008099      1.003368
  C      -6.569991      2.452323      6.551704
  C      -7.027006      3.922753      6.406831
  C      -8.342825      4.062308      5.656188
  O      -8.176051      3.370336      4.402245
  C      -9.254208      3.113179      3.644681
  C     -10.483909      3.746919      3.739323
  C     -11.514845      3.368990      2.852944
  N     -11.419422      2.431781      1.919833
  C     -10.214634      1.790881      1.822588
  C     -10.040781      0.771815      0.851616
  C      -8.830146      0.119698      0.760742
  C      -7.795585      0.477247      1.650971
  N      -7.910166      1.422361      2.573156
  C      -9.092824      2.084488      2.657881
  H      -3.865648     -1.784785      4.635785
  H      -4.600605     -0.498070      3.663409
  H      -1.633753     -1.138468      3.375657
  H      -2.843330     -2.093619      2.503654
  H      -1.882310     -0.121843      1.171238
  H      -2.719043      0.965528      2.322816
  H      -5.633128     -1.269967     -0.427894
  H      -6.467778     -0.234036     -2.534882
  H      -4.344955      3.780068     -3.029800
  H      -2.654736      5.067948     -1.656625
  H      -1.808785      4.050207      0.469694
  H      -2.267417      5.700631      4.893602
  H      -3.403730      5.172324      6.137019
  H      -4.771178      6.239994      4.620244
  H      -5.014128      4.530904      4.202542
  H      -2.995551      4.990933      2.495781
  H      -3.661455      6.648013      2.527770
  H      -5.769720      7.328075      3.138525
  H      -8.114177      8.084112      3.071417
  H     -10.431496      5.285398      0.268209
  H      -9.774438      3.299750     -1.140896
  H      -7.387724      2.526587     -1.099154
  H      -7.099375      1.978450      7.404640
  H      -6.870917      1.912220      5.643023
  H      -6.250307      4.467435      5.853227
  H      -7.130237      4.410857      7.390304
  H      -8.580341      5.120801      5.467583
  H      -9.183214      3.603391      6.202643
  H     -10.659398      4.541960      4.461549
  H     -12.478813      3.884395      2.923092
  H     -10.879089      0.533803      0.197252
  H      -8.660417     -0.664466      0.020165
  H      -6.831569     -0.032862      1.604312
  N      -4.998110      2.232530      3.623540
  H      -4.714348      2.773370      2.801867
  H      -5.971865      1.918094      3.475913
101
Coordinates from ORCA-job orca E -6430.118691738377
  N      -3.169272      0.150056      5.045434
  Mo     -3.844052      2.008899      5.230349
  N      -5.127209      2.286466      6.713218
  C      -4.592143      2.539597      8.046459
  C      -3.338147      1.693788      8.241818
  N      -2.448357      1.826182      7.062503
  C      -1.609558      0.621027      6.855169
  C      -2.404102     -0.451960      6.132147
  C      -1.620765      3.059001      7.083345
  C      -1.348204      3.462265      5.630868
  N      -2.600861      3.628957      4.893258
  H      -1.695705     -1.214654      5.751659
  H      -3.078113     -0.985297      6.836238
  H      -0.762770      0.920326      6.223748
  H      -1.204539      0.255864      7.816498
  H      -0.751323      4.393088      5.615087
  H      -0.734379      2.689619      5.140593
  H      -2.204075      3.847775      7.577845
  H      -0.697228      2.901386      7.670490
  H      -5.329607      2.262919      8.825094
  H      -4.359621      3.614422      8.204777
  H      -3.635083      0.636800      8.303731
  H      -2.802227      1.959433      9.171707
  C      -3.668386     -0.851804      4.102554
  C      -2.672972     -1.134123      2.965006
  C      -2.722213     -0.067998      1.889440
  O      -3.976291     -0.288649      1.180819
  C      -4.299603      0.348871      0.039732
  C      -5.248276     -0.289291     -0.755665
  C      -5.693744      0.309551     -1.942300
  N      -5.275300      1.484584     -2.400732
  C      -4.350260      2.132668     -1.637141
  C      -3.889583      3.401570     -2.069417
  C      -2.978224      4.093137     -1.305063
  C      -2.523663      3.510979     -0.101635
  N      -2.915817      2.327932      0.344109
  C      -3.815636      1.627169     -0.400193
  C      -3.115435      4.988194      5.083387
  C      -4.301376      5.353481      4.193943
  C      -3.903700      5.575496      2.734394
  O      -4.895252      5.090385      1.792303
  C      -6.121631      5.639822      1.803426
  C      -6.499938      6.768430      2.522175
  C      -7.838017      7.212065      2.460742
  N      -8.802624      6.644519      1.750952
  C      -8.440220      5.554592      1.004457
  C      -9.413013      4.922664      0.191139
  C      -9.051582      3.837507     -0.578660
  C      -7.716484      3.377479     -0.529041
  N      -6.774252      3.926027      0.225862
  C      -7.118713      5.001900      0.984068
  C      -6.566342      2.446395      6.559102
  C      -7.025486      3.914409      6.427444
  C      -8.338860      4.063128      5.677464
  O      -8.165482      3.382278      4.418750
  C      -9.243115      3.122263      3.660117
  C     -10.470306      3.759342      3.750955
  C     -11.506132      3.376057      2.871026
  N     -11.417813      2.429206      1.948283
  C     -10.213947      1.787026      1.852892
  C     -10.045772      0.759682      0.890820
  C      -8.828868      0.112126      0.793833
  C      -7.785645      0.480758      1.670710
  N      -7.898168      1.431312      2.588527
  C      -9.085791      2.088857      2.679825
  H      -3.886085     -1.788220      4.646882
  H      -4.616472     -0.505279      3.666897
  H      -1.652763     -1.174047      3.376048
  H      -2.876523     -2.113813      2.506514
  H      -1.894557     -0.158236      1.169606
  H      -2.711987      0.942349      2.317597
  H      -5.632321     -1.262314     -0.443921
  H      -6.437489     -0.212190     -2.553240
  H      -4.289270      3.798571     -3.003602
  H      -2.611196      5.075125     -1.608079
  H      -1.801818      4.048275      0.522727
  H      -2.288065      5.705650      4.890118
  H      -3.420528      5.174514      6.139822
  H      -4.787340      6.245127      4.619354
  H      -5.040377      4.533738      4.214291
  H      -3.016995      4.974016      2.493678
  H      -3.680873      6.634754      2.515164
  H      -5.788935      7.315417      3.139898
  H      -8.121218      8.096275      3.045607
  H     -10.427731      5.318915      0.198789
  H      -9.777035      3.326300     -1.214190
  H      -7.410629      2.521814     -1.141546
  H      -7.092304      1.965649      7.407885
  H      -6.871026      1.914231      5.649975
  H      -6.247280      4.462850      5.882208
  H      -7.132602      4.391828      7.411710
  H      -8.576596      5.125860      5.497605
  H      -9.183916      3.600033      6.219282
  H     -10.640344      4.559437      4.467577
  H     -12.469034      3.892929      2.939227
  H     -10.890861      0.513242      0.245805
  H      -8.660704     -0.676228      0.056841
  H      -6.814940     -0.022932      1.615220
  N      -5.007089      2.226999      3.617851
  H      -4.736369      2.770775      2.801100
  H      -5.974659      1.900246      3.470709
101
Coordinates from ORCA-job orca E -6430.118004326038
  N      -3.183037      0.139385      5.062559
  Mo     -3.844691      2.001594      5.246256
  N      -5.132955      2.291448      6.723116
  C      -4.598311      2.551933      8.055687
  C      -3.349294      1.699440      8.259360
  N      -2.458068      1.817175      7.077394
  C      -1.627322      0.600707      6.879434
  C      -2.429284     -0.465687      6.152820
  C      -1.623054      3.046405      7.089948
  C      -1.344091      3.437171      5.634044
  N      -2.596104      3.609719      4.897338
  H      -1.727662     -1.229451      5.777442
  H      -3.110571     -0.992376      6.850846
  H      -0.772711      0.889118      6.249340
  H      -1.231116      0.233257      7.844596
  H      -0.736111      4.362391      5.611725
  H      -0.738684      2.651175      5.149580
  H      -2.204084      3.845372      7.575469
  H      -0.701700      2.886494      7.681348
  H      -5.337260      2.285379      8.836557
  H      -4.360469      3.627239      8.205679
  H      -3.652279      0.642921      8.331639
  H      -2.812578      1.970915      9.188303
  C      -3.663563     -0.860646      4.098465
  C      -2.654512     -1.110484      2.954911
  C      -2.719481     -0.030049      1.889071
  O      -3.966197     -0.257869      1.179547
  C      -4.301240      0.358765      0.033738
  C      -5.244633     -0.302749     -0.745532
  C      -5.692627      0.263158     -1.943569
  N      -5.285034      1.430061     -2.426832
  C      -4.371574      2.106485     -1.676761
  C      -3.927352      3.372393     -2.132749
  C      -3.030645      4.092990     -1.381265
  C      -2.571218      3.540453     -0.167366
  N      -2.945894      2.361646      0.298178
  C      -3.833776      1.634245     -0.431772
  C      -3.111873      4.958557      5.100864
  C      -4.303867      5.319383      4.219430
  C      -3.920794      5.586267      2.768131
  O      -4.903038      5.120650      1.812015
  C      -6.127490      5.663053      1.817391
  C      -6.518329      6.785563      2.533587
  C      -7.852756      7.214259      2.465032
  N      -8.803729      6.639959      1.753644
  C      -8.429814      5.557384      1.008331
  C      -9.392112      4.915569      0.198340
  C      -9.018960      3.836340     -0.568985
  C      -7.682691      3.393953     -0.520993
  N      -6.752373      3.951168      0.232350
  C      -7.109297      5.020144      0.990941
  C      -6.568757      2.464694      6.567960
  C      -7.011684      3.936558      6.421114
  C      -8.328505      4.081183      5.672899
  O      -8.162029      3.379491      4.423930
  C      -9.234052      3.124728      3.662544
  C     -10.468793      3.751791      3.760614
  C     -11.487830      3.376187      2.866028
  N     -11.386130      2.439658      1.931026
  C     -10.185506      1.799703      1.838653
  C     -10.017917      0.775026      0.877620
  C      -8.807986      0.126860      0.788167
  C      -7.765511      0.494807      1.666652
  N      -7.878567      1.443719      2.583994
  C      -9.064906      2.099544      2.671352
  H      -3.875117     -1.817287      4.626135
  H      -4.611987     -0.519552      3.665529
  H      -1.629785     -1.129446      3.366614
  H      -2.834093     -2.098526      2.483236
  H      -1.898674     -0.105702      1.167785
  H      -2.716092      0.970966      2.318211
  H      -5.619395     -1.271064     -0.414089
  H      -6.429910     -0.280602     -2.543490
  H      -4.329296      3.744359     -3.073600
  H      -2.678643      5.075690     -1.699468
  H      -1.862194      4.100754      0.449841
  H      -2.296831      5.679993      4.912887
  H      -3.408984      5.128310      6.155313
  H      -4.804274      6.185928      4.659470
  H      -5.015671      4.489093      4.221450
  H      -3.028808      5.000114      2.511364
  H      -3.714465      6.649969      2.576266
  H      -5.819159      7.337946      3.153351
  H      -8.147213      8.091277      3.048808
  H     -10.413452      5.295923      0.211946
  H      -9.741428      3.313557     -1.194130
  H      -7.368918      2.542974     -1.127316
  H      -7.098740      1.997370      7.420641
  H      -6.876459      1.928038      5.664105
  H      -6.230193      4.472033      5.857798
  H      -7.106893      4.432458      7.403557
  H      -8.559201      5.141594      5.477887
  H      -9.172092      3.630927      6.222481
  H     -10.654565      4.542728      4.489816
  H     -12.455702      3.886229      2.938636
  H     -10.859590      0.531200      0.227515
  H      -8.644050     -0.661161      0.055955
  H      -6.796920     -0.010061      1.615084
  N      -5.004475      2.222080      3.625470
  H      -4.719950      2.757450      2.798227
  H      -5.941502      1.865739      3.447394
101
Coordinates from ORCA-job orca E -6430.118861823338
  N      -3.186998      0.150444      5.052830
  Mo     -3.847465      2.012957      5.240322
  N      -5.135102      2.304475      6.717623
  C      -4.598477      2.560303      8.047287
  C      -3.351200      1.705746      8.249625
  N      -2.459502      1.821922      7.071507
  C      -1.633267      0.605706      6.872041
  C      -2.440798     -0.458523      6.149057
  C      -1.618748      3.043855      7.086323
  C      -1.335287      3.432925      5.631832
  N      -2.585297      3.614764      4.889404
  H      -1.741934     -1.233227      5.779673
  H      -3.129984     -0.976773      6.849989
  H      -0.780923      0.892383      6.241599
  H      -1.235513      0.238609      7.835381
  H      -0.722357      4.354327      5.609830
  H      -0.730970      2.644153      5.150587
  H      -2.196401      3.842909      7.571528
  H      -0.698260      2.879299      7.678012
  H      -5.337750      2.293819      8.824749
  H      -4.358111      3.631740      8.200841
  H      -3.656871      0.652791      8.318641
  H      -2.813447      1.972708      9.177146
  C      -3.669123     -0.845388      4.096469
  C      -2.661431     -1.106964      2.965554
  C      -2.718973     -0.034583      1.896418
  O      -3.961832     -0.275594      1.170657
  C      -4.293319      0.354539      0.030515
  C      -5.244956     -0.290378     -0.754769
  C      -5.700747      0.298642     -1.942120
  N      -5.291548      1.471286     -2.410545
  C      -4.365657      2.127719     -1.656416
  C      -3.917870      3.397662     -2.096973
  C      -3.007398      4.097651     -1.342412
  C      -2.538473      3.521476     -0.140317
  N      -2.918657      2.339789      0.312386
  C      -3.819231      1.631801     -0.421223
  C      -3.085736      4.979261      5.079929
  C      -4.273950      5.351156      4.196368
  C      -3.883798      5.583782      2.738634
  O      -4.879198      5.106701      1.798136
  C      -6.104635      5.653040      1.817176
  C      -6.482264      6.777388      2.538590
  C      -7.822532      7.211502      2.490200
  N      -8.789811      6.639615      1.790700
  C      -8.427926      5.555176      1.040292
  C      -9.404495      4.918538      0.237755
  C      -9.041592      3.840691     -0.538074
  C      -7.702345      3.392105     -0.504154
  N      -6.758080      3.944160      0.242096
  C      -7.103665      5.013004      1.005447
  C      -6.572001      2.469509      6.560204
  C      -7.024582      3.936682      6.401674
  C      -8.344248      4.070961      5.655126
  O      -8.185268      3.357837      4.412085
  C      -9.260696      3.096620      3.654476
  C     -10.494913      3.721450      3.748234
  C     -11.518190      3.339020      2.856616
  N     -11.418148      2.400348      1.925912
  C     -10.213916      1.764114      1.834820
  C     -10.039723      0.739580      0.872275
  C      -8.822974      0.097069      0.781010
  C      -7.784775      0.467897      1.663950
  N      -7.903680      1.416129      2.582209
  C      -9.092255      2.068832      2.667357
  H      -3.883745     -1.790523      4.628359
  H      -4.614794     -0.500539      3.656970
  H      -1.642543     -1.129787      3.385689
  H      -2.843290     -2.088704      2.499785
  H      -1.881768     -0.105265      1.185187
  H      -2.731216      0.973093      2.330648
  H      -5.623171     -1.261517     -0.434704
  H      -6.446000     -0.230320     -2.545112
  H      -4.327930      3.788689     -3.029654
  H      -2.650568      5.081404     -1.649880
  H      -1.814718      4.063147      0.475815
  H      -2.253837      5.689989      4.881877
  H      -3.384270      5.170061      6.136731
  H      -4.758266      6.239425      4.626927
  H      -5.009294      4.530351      4.213062
  H      -2.999659      4.982538      2.489302
  H      -3.661766      6.643730      2.525740
  H      -5.769457      7.327051      3.149441
  H      -8.106072      8.090978      3.078232
  H     -10.423849      5.305417      0.258974
  H      -9.769448      3.326093     -1.165419
  H      -7.394844      2.542914     -1.121592
  H      -7.099402      2.006366      7.417308
  H      -6.878264      1.922743      5.659515
  H      -6.248154      4.472044      5.836667
  H      -7.120324      4.437143      7.379829
  H      -8.576323      5.127615      5.450650
  H      -9.185912      3.625053      6.211378
  H     -10.678516      4.514602      4.472285
  H     -12.482804      3.849488      2.923886
  H     -10.881531      0.490618      0.222924
  H      -8.651405     -0.689904      0.045206
  H      -6.814778     -0.034471      1.614961
  N      -5.008037      2.241407      3.623414
  H      -4.728998      2.791750      2.805846
  H      -5.954975      1.887803      3.449511
101
Coordinates from ORCA-job orca E -6430.118593211630
  N      -3.167978      0.146059      5.048495
  Mo     -3.841680      2.004835      5.233345
  N      -5.123122      2.279184      6.716609
  C      -4.586320      2.541159      8.050771
  C      -3.329697      1.698413      8.246028
  N      -2.443940      1.829320      7.060482
  C      -1.603090      0.623855      6.853967
  C      -2.396672     -0.452833      6.134513
  C      -1.618592      3.065637      7.078463
  C      -1.353100      3.471813      5.625849
  N      -2.608727      3.632187      4.894452
  H      -1.686369     -1.214609      5.752327
  H      -3.067106     -0.988400      6.841749
  H      -0.756575      0.923007      6.220935
  H      -1.197285      0.260606      7.816229
  H      -0.759364      4.405699      5.610218
  H      -0.738845      2.702937      5.130149
  H      -2.202396      3.854249      7.574945
  H      -0.693498      2.911699      7.662639
  H      -5.321787      2.265452      8.835133
  H      -4.355945      3.620429      8.202078
  H      -3.624729      0.638622      8.314420
  H      -2.791423      1.970863      9.174227
  C      -3.670113     -0.856593      4.104419
  C      -2.675319     -1.143798      2.962776
  C      -2.720995     -0.078248      1.884813
  O      -3.978001     -0.289395      1.184643
  C      -4.307052      0.345781      0.042776
  C      -5.260304     -0.293539     -0.748096
  C      -5.709566      0.302541     -1.935271
  N      -5.291408      1.475921     -2.398400
  C      -4.361203      2.124522     -1.639917
  C      -3.900047      3.391229     -2.077678
  C      -2.981876      4.082511     -1.318824
  C      -2.521783      3.502322     -0.115234
  N      -2.915167      2.321979      0.335999
  C      -3.821611      1.621525     -0.402784
  C      -3.133048      4.984532      5.092885
  C      -4.315039      5.351986      4.200439
  C      -3.912493      5.596601      2.749867
  O      -4.889078      5.112010      1.797451
  C      -6.115117      5.658789      1.795538
  C      -6.502473      6.788307      2.506982
  C      -7.842925      7.226445      2.437693
  N      -8.802298      6.652490      1.728091
  C      -8.431837      5.560220      0.990784
  C      -9.403446      4.917536      0.184099
  C      -9.035465      3.828183     -0.572772
  C      -7.694161      3.375044     -0.517330
  N      -6.753912      3.933167      0.232392
  C      -7.105297      5.013250      0.976651
  C      -6.562462      2.429624      6.569076
  C      -7.030907      3.896876      6.441598
  C      -8.345435      4.038019      5.693200
  O      -8.162646      3.374236      4.426306
  C      -9.237503      3.124479      3.660672
  C     -10.463436      3.768152      3.751271
  C     -11.498084      3.394669      2.866338
  N     -11.407029      2.452911      1.937067
  C     -10.203496      1.805770      1.840796
  C     -10.033224      0.784044      0.871917
  C      -8.821810      0.129043      0.779102
  C      -7.784139      0.485773      1.665745
  N      -7.896383      1.431203      2.588126
  C      -9.079481      2.095467      2.675741
  H      -3.891861     -1.794380      4.649188
  H      -4.617689     -0.507731      3.669308
  H      -1.652968     -1.188373      3.370084
  H      -2.885727     -2.124409      2.505819
  H      -1.898947     -0.175421      1.161143
  H      -2.701652      0.931668      2.309555
  H      -5.644200     -1.265717     -0.432905
  H      -6.457029     -0.219871     -2.542845
  H      -4.304798      3.787225     -3.011491
  H      -2.614080      5.062826     -1.625385
  H      -1.792771      4.037839      0.504529
  H      -2.312836      5.708692      4.911887
  H      -3.444965      5.157272      6.145815
  H      -4.808065      6.233817      4.630293
  H      -5.045147      4.529925      4.206832
  H      -3.018943      5.009428      2.511679
  H      -3.704391      6.658682      2.543153
  H      -5.798382      7.339735      3.125848
  H      -8.134096      8.110960      3.017049
  H     -10.424429      5.308146      0.189590
  H      -9.760232      3.307715     -1.201605
  H      -7.383909      2.515458     -1.116776
  H      -7.081166      1.944685      7.422278
  H      -6.867708      1.894065      5.659712
  H      -6.258797      4.451839      5.895449
  H      -7.139247      4.371367      7.427254
  H      -8.597950      5.100461      5.525307
  H      -9.182804      3.557585      6.230340
  H     -10.635743      4.563243      4.474519
  H     -12.463053      3.914379      2.936066
  H     -10.874336      0.547090      0.219929
  H      -8.653925     -0.655813      0.038440
  H      -6.818064     -0.023149      1.615293
  N      -5.005097      2.219864      3.617791
  H      -4.738593      2.763064      2.799746
  H      -5.980298      1.899685      3.481993
101
Coordinates from ORCA-job orca E -6430.118938685599
  N      -3.179204      0.148661      5.052140
  Mo     -3.842482      2.010923      5.237714
  N      -5.127605      2.296424      6.717276
  C      -4.591177      2.552354      8.048278
  C      -3.340054      1.702239      8.247645
  N      -2.450871      1.824976      7.067338
  C      -1.618585      0.613521      6.864491
  C      -2.419473     -0.455076      6.142002
  C      -1.616995      3.052153      7.083608
  C      -1.340377      3.448350      5.629362
  N      -2.593216      3.623975      4.892089
  H      -1.715315     -1.221017      5.765614
  H      -3.097887     -0.982743      6.844956
  H      -0.768480      0.905835      6.233857
  H      -1.217484      0.247174      7.827092
  H      -0.734565      4.373967      5.609719
  H      -0.732246      2.666955      5.142009
  H      -2.197891      3.847184      7.573250
  H      -0.694385      2.890888      7.673009
  H      -5.328881      2.281744      8.826999
  H      -4.354944      3.625603      8.202280
  H      -3.641055      0.647098      8.315501
  H      -2.802046      1.970147      9.175318
  C      -3.669724     -0.850145      4.101469
  C      -2.668683     -1.122782      2.965542
  C      -2.720959     -0.052942      1.892605
  O      -3.969191     -0.282937      1.176411
  C      -4.299403      0.347893      0.035636
  C      -5.250852     -0.296640     -0.750996
  C      -5.702791      0.292231     -1.939115
  N      -5.290397      1.464824     -2.406649
  C      -4.364540      2.120625     -1.651177
  C      -3.912074      3.389058     -2.092033
  C      -3.000381      4.088442     -1.336209
  C      -2.535471      3.513117     -0.132742
  N      -2.919366      2.331532      0.320186
  C      -3.821203      1.624294     -0.414807
  C      -3.103093      4.982437      5.089775
  C      -4.290805      5.354284      4.205287
  C      -3.899094      5.590337      2.748307
  O      -4.889246      5.108687      1.804324
  C      -6.116228      5.653862      1.815117
  C      -6.500583      6.778913      2.533331
  C      -7.840249      7.213799      2.473066
  N      -8.801070      6.641785      1.765428
  C      -8.432977      5.555332      1.019841
  C      -9.403641      4.916810      0.211505
  C      -9.036606      3.834528     -0.555984
  C      -7.698202      3.384463     -0.509205
  N      -6.758667      3.938725      0.241691
  C      -7.108887      5.011609      0.997498
  C      -6.566125      2.454900      6.563527
  C      -7.026619      3.921797      6.417421
  C      -8.345609      4.056433      5.672507
  O      -8.176461      3.364759      4.418536
  C      -9.251312      3.109584      3.656332
  C     -10.479872      3.745154      3.746204
  C     -11.507087      3.368782      2.855747
  N     -11.411541      2.428951      1.925492
  C     -10.209210      1.786233      1.833765
  C     -10.036496      0.764865      0.866614
  C      -8.822837      0.116196      0.774923
  C      -7.785264      0.478377      1.661014
  N      -7.901892      1.423404      2.583208
  C      -9.087777      2.081750      2.669684
  H      -3.887455     -1.792856      4.638941
  H      -4.616015     -0.503404      3.664695
  H      -1.648343     -1.156317      3.379127
  H      -2.863588     -2.104242      2.503993
  H      -1.889810     -0.135046      1.176881
  H      -2.720605      0.955933      2.321605
  H      -5.631130     -1.267790     -0.431658
  H      -6.447713     -0.236160     -2.543556
  H      -4.318990      3.779594     -3.025763
  H      -2.640408      5.071051     -1.644583
  H      -1.811493      4.054780      0.485155
  H      -2.276319      5.698830      4.899691
  H      -3.405504      5.163437      6.145860
  H      -4.776355      6.240702      4.637550
  H      -5.025718      4.534358      4.220132
  H      -3.010574      4.994463      2.501593
  H      -3.683161      6.651215      2.536630
  H      -5.793696      7.329065      3.150022
  H      -8.129004      8.094318      3.057896
  H     -10.422713      5.304801      0.223227
  H      -9.761367      3.316905     -1.185362
  H      -7.388594      2.531135     -1.118281
  H      -7.089867      1.982345      7.418315
  H      -6.871093      1.913398      5.659511
  H      -6.253012      4.465658      5.857185
  H      -7.125875      4.413100      7.399020
  H      -8.588360      5.115186      5.484687
  H      -9.184101      3.593633      6.221656
  H     -10.656855      4.540008      4.468784
  H     -12.470239      3.885215      2.922263
  H     -10.876568      0.524247      0.213651
  H      -8.652607     -0.667947      0.035286
  H      -6.816391     -0.026492      1.610299
  N      -5.001519      2.235499      3.620278
  H      -4.725682      2.778876      2.799289
  H      -5.960778      1.895461      3.463219
101
Coordinates from ORCA-job orca E -6430.118831027698
  N      -3.208018      0.143486      5.060276
  Mo     -3.860166      2.009298      5.237878
  N      -5.135646      2.316295      6.723418
  C      -4.588001      2.590768      8.047679
  C      -3.346490      1.728576      8.252085
  N      -2.460975      1.823749      7.064887
  C      -1.647437      0.597454      6.872042
  C      -2.466786     -0.466466      6.159507
  C      -1.607688      3.040537      7.060996
  C      -1.335880      3.415751      5.600990
  N      -2.589167      3.602291      4.869183
  H      -1.776175     -1.252434      5.792523
  H      -3.160058     -0.972891      6.866937
  H      -0.794703      0.870727      6.235327
  H      -1.249914      0.235256      7.837397
  H      -0.713696      4.330983      5.566651
  H      -0.747403      2.617664      5.119527
  H      -2.170860      3.848736      7.546479
  H      -0.683576      2.873894      7.643662
  H      -5.323945      2.342128      8.837976
  H      -4.336877      3.665501      8.183060
  H      -3.660956      0.677183      8.336220
  H      -2.801004      2.003790      9.174221
  C      -3.682135     -0.851625      4.098059
  C      -2.664667     -1.107628      2.972625
  C      -2.717438     -0.030576      1.907265
  O      -3.951429     -0.273429      1.170159
  C      -4.282646      0.366954      0.035176
  C      -5.239850     -0.268530     -0.752145
  C      -5.697147      0.330943     -1.934898
  N      -5.283500      1.504451     -2.397640
  C      -4.350485      2.150763     -1.642534
  C      -3.895816      3.420132     -2.078075
  C      -2.976769      4.109628     -1.323495
  C      -2.506559      3.524327     -0.125902
  N      -2.893622      2.342965      0.322257
  C      -3.802376      1.644602     -0.411573
  C      -3.080446      4.967555      5.063572
  C      -4.269064      5.343529      4.183348
  C      -3.883195      5.583736      2.726276
  O      -4.876263      5.105245      1.786650
  C      -6.102566      5.648092      1.812475
  C      -6.478246      6.769081      2.541018
  C      -7.818865      7.202494      2.500661
  N      -8.789442      6.631592      1.804536
  C      -8.430702      5.549593      1.048207
  C      -9.412736      4.913342      0.251014
  C      -9.053781      3.837804     -0.530995
  C      -7.712028      3.391887     -0.509752
  N      -6.762764      3.943590      0.231813
  C      -7.105256      5.009413      1.002810
  C      -6.573528      2.476947      6.574562
  C      -7.027409      3.941637      6.393228
  C      -8.346564      4.068328      5.646403
  O      -8.189965      3.330310      4.419392
  C      -9.262241      3.075326      3.659320
  C     -10.499338      3.696919      3.759081
  C     -11.522755      3.318953      2.865512
  N     -11.421752      2.386792      1.928697
  C     -10.215162      1.752146      1.832292
  C     -10.042173      0.732207      0.865234
  C      -8.825423      0.089840      0.769647
  C      -7.785250      0.456807      1.652145
  N      -7.902652      1.401038      2.574184
  C      -9.092388      2.053096      2.664741
  H      -3.899395     -1.798187      4.625637
  H      -4.625461     -0.506912      3.652479
  H      -1.648819     -1.129698      3.399478
  H      -2.841067     -2.088144      2.500828
  H      -1.873963     -0.092688      1.202726
  H      -2.739070      0.973939      2.346157
  H      -5.621985     -1.240277     -0.436948
  H      -6.447653     -0.190159     -2.538693
  H      -4.306944      3.818805     -3.007380
  H      -2.613538      5.092065     -1.627556
  H      -1.775603      4.058380      0.489662
  H      -2.247460      5.674285      4.863273
  H      -3.373221      5.157969      6.121100
  H      -4.752387      6.228981      4.616949
  H      -5.002492      4.522778      4.197839
  H      -2.996887      4.990122      2.474049
  H      -3.669863      6.645050      2.516013
  H      -5.762642      7.317153      3.150650
  H      -8.099845      8.080081      3.093223
  H     -10.433295      5.298336      0.281314
  H      -9.786584      3.323067     -1.153905
  H      -7.406604      2.545217     -1.133416
  H      -7.095277      2.027898      7.443825
  H      -6.885691      1.914345      5.685060
  H      -6.251903      4.465755      5.819329
  H      -7.123374      4.457474      7.361374
  H      -8.575548      5.122841      5.420651
  H      -9.189359      3.637465      6.211489
  H     -10.687022      4.483162      4.489803
  H     -12.489779      3.827624      2.938252
  H     -10.885263      0.486346      0.216212
  H      -8.655367     -0.694035      0.031093
  H      -6.815322     -0.046320      1.599054
  N      -5.027480      2.237553      3.623216
  H      -4.771439      2.820432      2.825150
  H      -5.969789      1.874361      3.449595
101
Coordinates from ORCA-job orca E -6430.118969129805
  N      -3.195131      0.148927      5.053206
  Mo     -3.849670      2.013714      5.237023
  N      -5.128216      2.307727      6.720312
  C      -4.585662      2.568444      8.048179
  C      -3.338406      1.712749      8.246578
  N      -2.452315      1.825801      7.062374
  C      -1.628113      0.608149      6.861027
  C      -2.438440     -0.458368      6.143613
  C      -1.610003      3.048255      7.071333
  C      -1.337891      3.438459      5.615365
  N      -2.592649      3.619923      4.883044
  H      -1.739712     -1.231379      5.767893
  H      -3.121072     -0.979893      6.849508
  H      -0.777289      0.892963      6.226931
  H      -1.227099      0.242387      7.823796
  H      -0.725019      4.359916      5.590019
  H      -0.738373      2.650945      5.127864
  H      -2.182681      3.847823      7.561416
  H      -0.685825      2.883643      7.655861
  H      -5.321994      2.305453      8.831606
  H      -4.342978      3.641841      8.195827
  H      -3.645359      0.659165      8.319944
  H      -2.795829      1.982027      9.171403
  C      -3.683797     -0.847642      4.099040
  C      -2.676570     -1.122238      2.968318
  C      -2.724031     -0.053893      1.894603
  O      -3.967362     -0.287082      1.169890
  C      -4.297103      0.352326      0.032542
  C      -5.246211     -0.287210     -0.760225
  C      -5.697591      0.310696     -1.945572
  N      -5.285317      1.486282     -2.405713
  C      -4.360231      2.136197     -1.644964
  C      -3.906725      3.406947     -2.077716
  C      -2.995029      4.099402     -1.317362
  C      -2.531664      3.515526     -0.117061
  N      -2.917789      2.332631      0.328913
  C      -3.819152      1.631689     -0.410468
  C      -3.095279      4.981782      5.080896
  C      -4.281376      5.358901      4.197511
  C      -3.890872      5.595340      2.741004
  O      -4.880333      5.111871      1.799087
  C      -6.106180      5.656692      1.811216
  C      -6.487869      6.782777      2.528091
  C      -7.828146      7.216943      2.471341
  N      -8.792185      6.642819      1.768913
  C      -8.426681      5.554887      1.024994
  C      -9.400427      4.914332      0.221525
  C      -9.034219      3.832397     -0.546962
  C      -7.694310      3.383475     -0.504623
  N      -6.752604      3.939484      0.242352
  C      -7.101485      5.012630      0.998028
  C      -6.566886      2.462144      6.570803
  C      -7.030643      3.926247      6.414655
  C      -8.352355      4.051311      5.671793
  O      -8.185365      3.349926      4.422386
  C      -9.258711      3.094351      3.658544
  C     -10.490389      3.726372      3.747816
  C     -11.514664      3.349021      2.854105
  N     -11.415457      2.409958      1.923452
  C     -10.212072      1.768968      1.834521
  C     -10.038125      0.745956      0.870188
  C      -8.823632      0.099357      0.781131
  C      -7.787099      0.464245      1.668174
  N      -7.905285      1.410192      2.588436
  C      -9.091563      2.067052      2.671516
  H      -3.905940     -1.789490      4.634785
  H      -4.627493     -0.498876      3.657019
  H      -1.656732     -1.155075      3.388193
  H      -2.869388     -2.104716      2.505068
  H      -1.887858     -0.134452      1.185202
  H      -2.728882      0.954892      2.323364
  H      -5.625801     -1.260960     -0.447499
  H      -6.441620     -0.213199     -2.554214
  H      -4.312974      3.804612     -3.009483
  H      -2.633534      5.083216     -1.619419
  H      -1.807836      4.051564      0.503927
  H      -2.265166      5.694636      4.888718
  H      -3.396220      5.165288      6.137222
  H      -4.762613      6.246707      4.629994
  H      -5.018719      4.541831      4.212406
  H      -3.002163      5.001470      2.493624
  H      -3.678038      6.656514      2.528466
  H      -5.778509      7.334267      3.141274
  H      -8.114822      8.098590      3.054904
  H     -10.420666      5.301543      0.236704
  H      -9.759884      3.314644     -1.174913
  H      -7.384117      2.530758     -1.115521
  H      -7.086297      1.995250      7.431070
  H      -6.874283      1.912748      5.671977
  H      -6.260749      4.466976      5.847696
  H      -7.127372      4.424942      7.392200
  H      -8.598583      5.107522      5.476241
  H      -9.187784      3.590577      6.226914
  H     -10.672155      4.519462      4.472262
  H     -12.479317      3.863425      2.919382
  H     -10.878798      0.502001      0.217627
  H      -8.652595     -0.685864      0.043551
  H      -6.818959     -0.040384      1.620782
  N      -5.010956      2.242454      3.621766
  H      -4.739885      2.795095      2.804614
  H      -5.959985      1.887917      3.456712
101
Coordinates from ORCA-job orca E -6430.118674659931
  N      -3.188573      0.142152      5.065024
  Mo     -3.840891      2.009855      5.241288
  N      -5.125619      2.306855      6.720370
  C      -4.586633      2.573785      8.047610
  C      -3.339216      1.718817      8.255241
  N      -2.451466      1.824550      7.072826
  C      -1.628611      0.605473      6.879006
  C      -2.434300     -0.459077      6.159842
  C      -1.609247      3.044236      7.078591
  C      -1.332170      3.429896      5.620391
  N      -2.585275      3.616130      4.885861
  H      -1.735249     -1.228825      5.789270
  H      -3.113858     -0.977303      6.863730
  H      -0.775821      0.887477      6.248710
  H      -1.231654      0.241024      7.844304
  H      -0.717482      4.348122      5.594642
  H      -0.733202      2.639757      5.135699
  H      -2.184498      3.847813      7.564131
  H      -0.686173      2.878517      7.668878
  H      -5.323930      2.315737      8.829808
  H      -4.344732      3.646447      8.190976
  H      -3.644766      0.666392      8.334710
  H      -2.798479      1.993151      9.179296
  C      -3.667113     -0.854526      4.105574
  C      -2.659715     -1.111865      2.972004
  C      -2.715091     -0.033608      1.905665
  O      -3.955001     -0.273679      1.181591
  C      -4.292982      0.350119      0.042930
  C      -5.257693     -0.297322     -0.727329
  C      -5.716298      0.278519     -1.915234
  N      -5.304286      1.446108     -2.395321
  C      -4.369362      2.107726     -1.654631
  C      -3.920362      3.373873     -2.108365
  C      -2.999527      4.080981     -1.367185
  C      -2.518701      3.513175     -0.166701
  N      -2.897483      2.332832      0.296692
  C      -3.811749      1.620246     -0.422466
  C      -3.083959      4.976811      5.090153
  C      -4.276342      5.357849      4.214224
  C      -3.893351      5.595296      2.753957
  O      -4.892544      5.116999      1.813727
  C      -6.123038      5.659349      1.834931
  C      -6.510526      6.776803      2.565477
  C      -7.852714      7.206900      2.515321
  N      -8.812309      6.638242      1.804773
  C      -8.440692      5.561097      1.045235
  C      -9.410002      4.927853      0.232407
  C      -9.042388      3.852855     -0.545127
  C      -7.704656      3.405942     -0.504942
  N      -6.764962      3.955688      0.248793
  C      -7.115504      5.021398      1.014364
  C      -6.564953      2.462320      6.567082
  C      -7.026909      3.927486      6.391827
  C      -8.346573      4.052008      5.648040
  O      -8.182710      3.332289      4.410798
  C      -9.256175      3.084560      3.647356
  C     -10.481055      3.721231      3.738873
  C     -11.509761      3.351119      2.846710
  N     -11.416143      2.418805      1.910087
  C     -10.214145      1.776140      1.813890
  C     -10.037918      0.765635      0.834371
  C      -8.822757      0.118463      0.735176
  C      -7.787579      0.471198      1.626726
  N      -7.907562      1.406074      2.559997
  C      -9.094446      2.063386      2.653417
  H      -3.884437     -1.804626      4.634620
  H      -4.611991     -0.508986      3.666391
  H      -1.643978     -1.141579      3.387677
  H      -2.844865     -2.090199      2.505519
  H      -1.879272     -0.100847      1.193498
  H      -2.730075      0.972638      2.340469
  H      -5.641256     -1.262588     -0.395529
  H      -6.469165     -0.254679     -2.507606
  H      -4.337653      3.756888     -3.039289
  H      -2.643845      5.063277     -1.684825
  H      -1.783997      4.059615      0.439395
  H      -2.253285      5.687854      4.898049
  H      -3.378784      5.157893      6.148312
  H      -4.756310      6.245913      4.653216
  H      -5.015427      4.539620      4.232613
  H      -3.006733      4.996889      2.499004
  H      -3.675347      6.656473      2.543413
  H      -5.804971      7.323911      3.184945
  H      -8.144446      8.080329      3.111112
  H     -10.429195      5.312615      0.250190
  H      -9.766704      3.338699     -1.177147
  H      -7.398289      2.557371     -1.118356
  H      -7.087421      2.006636      7.433189
  H      -6.870940      1.902765      5.673743
  H      -6.254203      4.459327      5.818024
  H      -7.123755      4.438616      7.364022
  H      -8.584491      5.108261      5.435914
  H      -9.186195      3.605469      6.208426
  H     -10.656182      4.510935      4.465016
  H     -12.471693      3.868143      2.916403
  H     -10.876006      0.532294      0.178276
  H      -8.648396     -0.656719     -0.015373
  H      -6.815773     -0.031720      1.568545
  N      -4.997480      2.238615      3.618392
  H      -4.736657      2.807447      2.812978
  H      -5.961102      1.893709      3.463555
101
Coordinates from ORCA-job orca E -6430.119012623003
  N      -3.197295      0.146103      5.057352
  Mo     -3.848428      2.012966      5.235921
  N      -5.125448      2.311251      6.719797
  C      -4.581642      2.576583      8.046219
  C      -3.334995      1.720478      8.247383
  N      -2.450410      1.827736      7.061865
  C      -1.628940      0.608149      6.863607
  C      -2.440057     -0.458684      6.148779
  C      -1.606052      3.048603      7.065387
  C      -1.335815      3.433878      5.606769
  N      -2.591526      3.618337      4.877581
  H      -1.742330     -1.232747      5.774024
  H      -3.121237     -0.977666      6.856700
  H      -0.778051      0.889746      6.228970
  H      -1.228365      0.244301      7.827411
  H      -0.719466      4.353047      5.577252
  H      -0.740712      2.642381      5.119509
  H      -2.176387      3.851473      7.554359
  H      -0.681079      2.883380      7.649347
  H      -5.317158      2.317809      8.831222
  H      -4.337787      3.649921      8.189602
  H      -3.642461      0.667646      8.325336
  H      -2.791159      1.992789      9.170716
  C      -3.682621     -0.850629      4.103222
  C      -2.674819     -1.122080      2.973304
  C      -2.721596     -0.050682      1.901766
  O      -3.961634     -0.286812      1.173080
  C      -4.292568      0.351596      0.036884
  C      -5.247596     -0.286525     -0.751056
  C      -5.700886      0.308799     -1.935796
  N      -5.286890      1.482142     -2.399123
  C      -4.357306      2.131607     -1.642662
  C      -3.902746      3.400592     -2.079085
  C      -2.986093      4.093095     -1.323361
  C      -2.518099      3.510354     -0.124236
  N      -2.904461      2.328584      0.324772
  C      -3.811562      1.628163     -0.409885
  C      -3.091569      4.978931      5.081296
  C      -4.280870      5.358614      4.202556
  C      -3.895151      5.598004      2.744770
  O      -4.886046      5.113159      1.803936
  C      -6.114170      5.655018      1.820203
  C      -6.498234      6.777310      2.542851
  C      -7.838887      7.210096      2.488138
  N      -8.801303      6.638227      1.782483
  C      -8.433894      5.553995      1.033100
  C      -9.406451      4.915916      0.226626
  C      -9.040336      3.835956     -0.544828
  C      -7.700921      3.387674     -0.503938
  N      -6.759468      3.941766      0.245031
  C      -7.108770      5.012562      1.004667
  C      -6.565073      2.463446      6.571150
  C      -7.030204      3.926558      6.406373
  C      -8.352823      4.047580      5.665809
  O      -8.186515      3.338282      4.421622
  C      -9.259211      3.087743      3.656166
  C     -10.488374      3.723209      3.745872
  C     -11.513202      3.351559      2.850574
  N     -11.415824      2.416006      1.916392
  C     -10.213530      1.772549      1.825344
  C     -10.039769      0.755217      0.854512
  C      -8.826603      0.106423      0.762596
  C      -7.790031      0.464311      1.652112
  N      -7.907761      1.405145      2.577991
  C      -9.093703      2.063650      2.665014
  H      -3.904248     -1.793265      4.637846
  H      -4.625979     -0.502227      3.661058
  H      -1.656842     -1.156026      3.393136
  H      -2.866612     -2.102821      2.508946
  H      -1.882382     -0.126126      1.193945
  H      -2.732005      0.957626      2.333227
  H      -5.630283     -1.257370     -0.434857
  H      -6.448875     -0.214718     -2.540770
  H      -4.311940      3.796839     -3.009780
  H      -2.624024      5.075649     -1.628508
  H      -1.789223      4.045854      0.492869
  H      -2.261617      5.691004      4.889263
  H      -3.388456      5.159832      6.139039
  H      -4.761127      6.245219      4.639130
  H      -5.018247      4.541774      4.218110
  H      -3.005210      5.006912      2.494583
  H      -3.685717      6.659799      2.532977
  H      -5.790017      7.327136      3.158511
  H      -8.126985      8.088856      3.075903
  H     -10.426044      5.302528      0.242654
  H      -9.766284      3.318954     -1.173421
  H      -7.391767      2.536248     -1.116676
  H      -7.083417      2.001271      7.434768
  H      -6.872875      1.908832      5.676243
  H      -6.260661      4.463328      5.833865
  H      -7.125845      4.432306      7.380837
  H      -8.598757      5.103015      5.463710
  H      -9.188371      3.590807      6.224707
  H     -10.667758      4.514780      4.471655
  H     -12.476159      3.868744      2.916849
  H     -10.879234      0.517876      0.199120
  H      -8.655731     -0.674403      0.020105
  H      -6.821454     -0.041044      1.600571
  N      -5.008255      2.240800      3.618760
  H      -4.742720      2.800110      2.805253
  H      -5.959710      1.884928      3.456873
101
Coordinates from ORCA-job orca E -6430.119007545332
  N      -3.210026      0.148241      5.059552
  Mo     -3.852395      2.017369      5.240132
  N      -5.126622      2.320375      6.725137
  C      -4.579170      2.586741      8.049544
  C      -3.335729      1.724979      8.249470
  N      -2.452460      1.826052      7.062047
  C      -1.637151      0.601709      6.864039
  C      -2.455659     -0.460575      6.150318
  C      -1.601512      3.041694      7.063900
  C      -1.332132      3.426724      5.606591
  N      -2.588327      3.617292      4.878365
  H      -1.762605     -1.237399      5.776079
  H      -3.140164     -0.975922      6.857604
  H      -0.784664      0.878071      6.228423
  H      -1.237850      0.235730      7.827288
  H      -0.711934      4.342108      5.577208
  H      -0.741047      2.633672      5.119046
  H      -2.167031      3.846374      7.553537
  H      -0.676100      2.872160      7.645426
  H      -5.314669      2.332907      8.836896
  H      -4.329988      3.659693      8.189808
  H      -3.648563      0.673644      8.330434
  H      -2.788730      1.996700      9.170652
  C      -3.694510     -0.845699      4.098970
  C      -2.681105     -1.117776      2.971739
  C      -2.723780     -0.048208      1.898890
  O      -3.960309     -0.285101      1.165258
  C      -4.291662      0.353705      0.029638
  C      -5.244282     -0.285855     -0.759210
  C      -5.698347      0.310926     -1.943309
  N      -5.286975      1.486564     -2.405306
  C      -4.359180      2.137078     -1.648308
  C      -3.907202      3.408597     -2.082746
  C      -2.992112      4.101822     -1.326458
  C      -2.522543      3.517125     -0.129028
  N      -2.907124      2.333651      0.318215
  C      -3.813238      1.632657     -0.416348
  C      -3.081925      4.982710      5.079324
  C      -4.268842      5.367359      4.200365
  C      -3.883013      5.601677      2.741854
  O      -4.877165      5.116775      1.804260
  C      -6.104232      5.659643      1.820150
  C      -6.487306      6.783278      2.539932
  C      -7.828821      7.213953      2.486677
  N      -8.792801      6.638665      1.785210
  C      -8.425863      5.553535      1.038240
  C      -9.399434      4.912786      0.234819
  C      -9.031154      3.834268     -0.537669
  C      -7.689731      3.388695     -0.498740
  N      -6.748508      3.944786      0.248558
  C      -7.099326      5.014904      1.007647
  C      -6.566006      2.468698      6.579681
  C      -7.035573      3.929723      6.405928
  C      -8.359766      4.042314      5.665517
  O      -8.194827      3.327504      4.423811
  C      -9.266202      3.075978      3.657498
  C     -10.497990      3.707416      3.746921
  C     -11.519398      3.334504      2.848705
  N     -11.418633      2.399611      1.914528
  C     -10.216043      1.758264      1.826197
  C     -10.040572      0.739417      0.857943
  C      -8.825122      0.094031      0.766996
  C      -7.790027      0.455284      1.657262
  N      -7.910328      1.396607      2.581918
  C      -9.097118      2.052740      2.666153
  H      -3.921569     -1.790471      4.630271
  H      -4.635147     -0.494471      3.652571
  H      -1.663722     -1.150649      3.396156
  H      -2.870955     -2.099631      2.505921
  H      -1.883532     -0.125044      1.195329
  H      -2.735029      0.958988      2.328242
  H      -5.624219     -1.259340     -0.444384
  H      -6.444435     -0.213717     -2.549162
  H      -4.317373      3.806184     -3.012412
  H      -2.632146      5.086672     -1.629185
  H      -1.794287      4.052914      0.488285
  H      -2.247904      5.691677      4.885159
  H      -3.379670      5.167672      6.136859
  H      -4.743357      6.258512      4.634987
  H      -5.011286      4.553561      4.218799
  H      -2.995184      5.006829      2.490629
  H      -3.670291      6.663082      2.527575
  H      -5.778416      7.335302      3.152771
  H      -8.116914      8.093425      3.072450
  H     -10.421031      5.297267      0.253036
  H      -9.756172      3.316930     -1.166515
  H      -7.378216      2.538477     -1.112174
  H      -7.080678      2.011333      7.448728
  H      -6.874906      1.906084      5.688388
  H      -6.270236      4.465353      5.828851
  H      -7.130076      4.440507      7.377319
  H      -8.609914      5.095481      5.458180
  H      -9.191320      3.585191      6.227722
  H     -10.682196      4.496817      4.474767
  H     -12.483301      3.849133      2.913513
  H     -10.880297      0.497965      0.203467
  H      -8.652285     -0.687506      0.025647
  H      -6.821172     -0.048751      1.608425
  N      -5.013801      2.252558      3.623207
  H      -4.751539      2.819856      2.814882
  H      -5.964003      1.896482      3.460373
101
Coordinates from ORCA-job orca E -6430.119047330585
  N      -3.212872      0.146188      5.059561
  Mo     -3.853257      2.016435      5.235726
  N      -5.123324      2.324463      6.723649
  C      -4.573477      2.593442      8.046686
  C      -3.331037      1.730157      8.246556
  N      -2.449458      1.827771      7.057581
  C      -1.635975      0.602400      6.860316
  C      -2.455295     -0.461009      6.149332
  C      -1.597378      3.043059      7.054540
  C      -1.331804      3.424319      5.594905
  N      -2.589402      3.616320      4.870027
  H      -1.762298     -1.238083      5.773732
  H      -3.137243     -0.976317      6.859144
  H      -0.784263      0.877037      6.223301
  H      -1.235422      0.238041      7.823845
  H      -0.709717      4.338287      5.561315
  H      -0.744462      2.628743      5.107238
  H      -2.160214      3.849677      7.544476
  H      -0.670622      2.873462      7.634150
  H      -5.308106      2.342973      8.836180
  H      -4.322253      3.666557      8.183916
  H      -3.644915      0.679303      8.329744
  H      -2.782375      2.002825      9.166722
  C      -3.698014     -0.848672      4.102103
  C      -2.686214     -1.124122      2.975935
  C      -2.726822     -0.054289      1.902633
  O      -3.962127     -0.292750      1.166439
  C      -4.293270      0.352798      0.033821
  C      -5.244665     -0.283416     -0.759444
  C      -5.696780      0.317923     -1.942014
  N      -5.283983      1.494692     -2.399020
  C      -4.356846      2.141570     -1.637864
  C      -3.902233      3.413149     -2.067811
  C      -2.987406      4.102735     -1.307876
  C      -2.521259      3.514682     -0.110814
  N      -2.908128      2.330651      0.332262
  C      -3.813477      1.632882     -0.406368
  C      -3.082574      4.979970      5.075889
  C      -4.270814      5.367094      4.199309
  C      -3.888123      5.604234      2.740149
  O      -4.881295      5.116636      1.802773
  C      -6.109995      5.656699      1.820687
  C      -6.495808      6.777478      2.544772
  C      -7.838012      7.207211      2.491961
  N      -8.799975      6.633894      1.786575
  C      -8.430765      5.550595      1.036474
  C      -9.402832      4.910322      0.230986
  C      -9.034785      3.831196     -0.540285
  C      -7.694498      3.385420     -0.499426
  N      -6.753418      3.941952      0.247994
  C      -7.104155      5.012312      1.006457
  C      -6.563923      2.471133      6.580126
  C      -7.035451      3.931363      6.404541
  C      -8.360814      4.041862      5.667255
  O      -8.194189      3.326384      4.426371
  C      -9.264184      3.076736      3.657369
  C     -10.493749      3.711771      3.742844
  C     -11.516049      3.340067      2.843786
  N     -11.415642      2.404828      1.909846
  C     -10.212632      1.761913      1.822967
  C     -10.034604      0.745465      0.851695
  C      -8.820064      0.098420      0.762896
  C      -7.787738      0.455890      1.657630
  N      -7.909601      1.395498      2.584211
  C      -9.095507      2.053219      2.666623
  H      -3.925575     -1.791299      4.635322
  H      -4.638282     -0.496864      3.655953
  H      -1.669413     -1.161104      3.399825
  H      -2.879320     -2.105042      2.511379
  H      -1.883733     -0.130430      1.200712
  H      -2.740586      0.954244      2.331832
  H      -5.625136     -1.257863     -0.449067
  H      -6.442270     -0.203962     -2.550942
  H      -4.310115      3.813693     -2.997261
  H      -2.625449      5.087230     -1.608005
  H      -1.794715      4.048588      0.510327
  H      -2.249199      5.688877      4.883497
  H      -3.378472      5.161442      6.134062
  H      -4.744008      6.257230      4.637206
  H      -5.013921      4.554585      4.217284
  H      -2.997886      5.013617      2.487680
  H      -3.680684      6.666385      2.526204
  H      -5.788387      7.328128      3.160551
  H      -8.127989      8.084738      3.081278
  H     -10.423988      5.294551      0.248265
  H      -9.760252      3.312566     -1.168070
  H      -7.384346      2.534279     -1.110382
  H      -7.077437      2.014439      7.450156
  H      -6.873271      1.907100      5.690688
  H      -6.271318      4.465901      5.824992
  H      -7.129189      4.444446      7.374396
  H      -8.613506      5.095007      5.459909
  H      -9.191792      3.583540      6.230701
  H     -10.676086      4.502566      4.468983
  H     -12.479961      3.856567      2.907152
  H     -10.871559      0.508058      0.192869
  H      -8.645384     -0.681061      0.019246
  H      -6.819282     -0.048826      1.609890
  N      -5.013344      2.249789      3.619791
  H      -4.750514      2.814155      2.808783
  H      -5.955245      1.878903      3.449547
101
Coordinates from ORCA-job orca E -6430.119032164964
  N      -3.221563      0.143533      5.060671
  Mo     -3.853884      2.017859      5.229972
  N      -5.118745      2.331180      6.720318
  C      -4.564862      2.603361      8.040871
  C      -3.322364      1.741449      8.241447
  N      -2.446022      1.832862      7.049046
  C      -1.636973      0.604525      6.853956
  C      -2.460327     -0.460609      6.150034
  C      -1.590243      3.046205      7.038044
  C      -1.330818      3.420579      5.573484
  N      -2.592055      3.617232      4.858870
  H      -1.769593     -1.241602      5.774031
  H      -3.139509     -0.972247      6.865709
  H      -0.786285      0.873991      6.213652
  H      -1.234955      0.243215      7.818469
  H      -0.701127      4.332012      5.531161
  H      -0.752735      2.616512      5.082972
  H      -2.147623      3.858607      7.528532
  H      -0.661003      2.875068      7.613920
  H      -5.296087      2.355374      8.831548
  H      -4.313521      3.675112      8.175059
  H      -3.636146      0.691717      8.330351
  H      -2.769958      2.017730      9.158779
  C      -3.705176     -0.851125      4.106760
  C      -2.691746     -1.130603      2.984707
  C      -2.723862     -0.060474      1.911201
  O      -3.952159     -0.303123      1.163320
  C      -4.281611      0.346704      0.033526
  C      -5.235185     -0.284710     -0.761886
  C      -5.688797      0.321338     -1.940946
  N      -5.276482      1.499286     -2.392529
  C      -4.347786      2.141815     -1.629299
  C      -3.894929      3.415440     -2.053069
  C      -2.978164      4.100889     -1.291415
  C      -2.507928      3.506003     -0.098961
  N      -2.893406      2.320191      0.338246
  C      -3.801179      1.626982     -0.401613
  C      -3.082807      4.977449      5.075540
  C      -4.272959      5.368621      4.203884
  C      -3.894446      5.614802      2.745722
  O      -4.882131      5.122019      1.806861
  C      -6.112166      5.658598      1.824491
  C      -6.498926      6.779202      2.548407
  C      -7.839716      7.209901      2.492065
  N      -8.800082      6.636979      1.784308
  C      -8.431038      5.552823      1.035957
  C      -9.401500      4.914422      0.227109
  C      -9.032991      3.835610     -0.545545
  C      -7.693841      3.387891     -0.501959
  N      -6.754304      3.942574      0.249185
  C      -7.105411      5.013275      1.008995
  C      -6.560582      2.471419      6.581355
  C      -7.036218      3.927501      6.401772
  C      -8.368432      4.027911      5.674798
  O      -8.204972      3.310002      4.435251
  C      -9.275234      3.065794      3.664229
  C     -10.504566      3.702965      3.750224
  C     -11.522766      3.339820      2.844561
  N     -11.420592      2.409260      1.905395
  C     -10.219693      1.762924      1.819673
  C     -10.041783      0.750073      0.845002
  C      -8.829480      0.100330      0.756893
  C      -7.796504      0.453123      1.653258
  N      -7.918076      1.388921      2.583120
  C      -9.104626      2.047426      2.667793
  H      -3.935732     -1.790840      4.641307
  H      -4.643363     -0.497805      3.657522
  H      -1.677514     -1.171458      3.412222
  H      -2.886468     -2.110062      2.519888
  H      -1.872789     -0.133529      1.215540
  H      -2.745020      0.948725      2.342197
  H      -5.616338     -1.258900     -0.455791
  H      -6.436068     -0.197073     -2.551185
  H      -4.305820      3.820865     -2.979265
  H      -2.617444      5.086438     -1.587329
  H      -1.778769      4.035065      0.523212
  H      -2.250883      5.686324      4.886172
  H      -3.375371      5.152075      6.134671
  H      -4.746734      6.253829      4.647698
  H      -5.012622      4.556029      4.219043
  H      -2.999575      5.033901      2.492395
  H      -3.698339      6.678421      2.534057
  H      -5.792279      7.330175      3.165195
  H      -8.129539      8.088054      3.079926
  H     -10.420541      5.300779      0.240623
  H      -9.756338      3.319619     -1.177803
  H      -7.382211      2.537390     -1.116582
  H      -7.068827      2.016981      7.453534
  H      -6.872202      1.903996      5.697302
  H      -6.275801      4.460098      5.810927
  H      -7.122738      4.448104      7.369814
  H      -8.626497      5.078368      5.467363
  H      -9.195623      3.566649      6.244547
  H     -10.689197      4.489118      4.481411
  H     -12.484044      3.859734      2.906347
  H     -10.877953      0.517166      0.183598
  H      -8.655648     -0.676662      0.011320
  H      -6.827388     -0.052013      1.604026
  N      -5.013099      2.250802      3.612899
  H      -4.755963      2.818417      2.802609
  H      -5.963814      1.884928      3.455162
101
Coordinates from ORCA-job orca E -6430.119106000145
  N      -3.229280      0.144920      5.063207
  Mo     -3.855996      2.020858      5.232808
  N      -5.117425      2.338921      6.724660
  C      -4.560636      2.613725      8.043537
  C      -3.320708      1.747493      8.243809
  N      -2.445639      1.833104      7.049651
  C      -1.641430      0.601682      6.855058
  C      -2.469451     -0.460886      6.152736
  C      -1.585156      3.042782      7.035306
  C      -1.327529      3.415402      5.571036
  N      -2.589009      3.616424      4.857348
  H      -1.781632     -1.244027      5.777129
  H      -3.150180     -0.969700      6.868913
  H      -0.790499      0.867452      6.213752
  H      -1.239565      0.239901      7.819120
  H      -0.695055      4.323526      5.527483
  H      -0.753386      2.610119      5.080965
  H      -2.138213      3.856511      7.526097
  H      -0.655452      2.868976      7.608974
  H      -5.291782      2.370790      8.837016
  H      -4.304986      3.685734      8.173714
  H      -3.638300      0.698882      8.335860
  H      -2.765860      2.024102      9.159395
  C      -3.712237     -0.849058      4.106228
  C      -2.695888     -1.129393      2.985949
  C      -2.728596     -0.060418      1.911259
  O      -3.955465     -0.303986      1.162771
  C      -4.286925      0.347742      0.034517
  C      -5.239978     -0.283967     -0.761190
  C      -5.692713      0.322190     -1.940400
  N      -5.280261      1.500670     -2.391851
  C      -4.351935      2.143501     -1.628400
  C      -3.897789      3.416870     -2.052567
  C      -2.981101      4.102391     -1.290924
  C      -2.512093      3.507905     -0.097949
  N      -2.898275      2.322011      0.339514
  C      -3.806204      1.628692     -0.400453
  C      -3.074285      4.980125      5.073905
  C      -4.264851      5.376516      4.204404
  C      -3.888677      5.617790      2.744295
  O      -4.881262      5.124521      1.809338
  C      -6.111677      5.660609      1.829416
  C      -6.499249      6.779249      2.555275
  C      -7.841465      7.207159      2.501908
  N      -8.802255      6.633700      1.794939
  C      -8.431914      5.551739      1.044243
  C      -9.402835      4.912019      0.236758
  C      -9.033444      3.834568     -0.536517
  C      -7.692360      3.390029     -0.495925
  N      -6.752453      3.946127      0.253697
  C      -7.104980      5.015040      1.014558
  C      -6.559522      2.474869      6.587487
  C      -7.040239      3.929701      6.397605
  C      -8.370868      4.023505      5.668136
  O      -8.204333      3.299361      4.432425
  C      -9.271802      3.057001      3.658477
  C     -10.500066      3.695155      3.742836
  C     -11.518782      3.332784      2.836604
  N     -11.416774      2.403241      1.897037
  C     -10.215393      1.756879      1.811392
  C     -10.036683      0.746350      0.834629
  C      -8.824163      0.096602      0.746285
  C      -7.792493      0.446547      1.645280
  N      -7.915253      1.379993      2.577429
  C      -9.101161      2.039231      2.661411
  H      -3.945504     -1.789574      4.639357
  H      -4.649172     -0.494308      3.655117
  H      -1.681044     -1.168956      3.414680
  H      -2.889231     -2.110727      2.521982
  H      -1.877997     -0.133907      1.217577
  H      -2.750828      0.948747      2.339539
  H      -5.621074     -1.258745     -0.455377
  H      -6.439529     -0.196536     -2.550959
  H      -4.307501      3.821918     -2.979162
  H      -2.619556      5.087956     -1.586826
  H      -1.783010      4.037210      0.524257
  H      -2.238570      5.686185      4.882409
  H      -3.365241      5.157601      6.134186
  H      -4.732284      6.266615      4.648337
  H      -5.010802      4.567438      4.223230
  H      -2.995518      5.033679      2.488737
  H      -3.689773      6.681255      2.530227
  H      -5.792678      7.330292      3.171922
  H      -8.132125      8.083617      3.091342
  H     -10.423580      5.295684      0.253052
  H      -9.757734      3.316815     -1.166619
  H      -7.380147      2.540462     -1.110163
  H      -7.065122      2.024975      7.464936
  H      -6.870755      1.899406      5.706451
  H      -6.282771      4.460536      5.804132
  H      -7.129181      4.455793      7.361946
  H      -8.632684      5.073065      5.453820
  H      -9.195605      3.562861      6.239541
  H     -10.684123      4.481162      4.473595
  H     -12.480841      3.852703      2.898499
  H     -10.872124      0.515701      0.171415
  H      -8.649617     -0.678384     -0.000964
  H      -6.823757     -0.059174      1.596153
  N      -5.016091      2.256950      3.616551
  H      -4.759723      2.827196      2.807469
  H      -5.958045      1.879857      3.450062
101
Coordinates from ORCA-job orca E -6430.119126132950
  N      -3.249704      0.146176      5.065982
  Mo     -3.861188      2.026671      5.231928
  N      -5.115390      2.357296      6.727002
  C      -4.552411      2.636732      8.042107
  C      -3.318400      1.760455      8.242599
  N      -2.446029      1.832730      7.044807
  C      -1.652734      0.593387      6.852499
  C      -2.491292     -0.463537      6.154072
  C      -1.575185      3.034204      7.023022
  C      -1.321709      3.402127      5.557751
  N      -2.584818      3.613937      4.848528
  H      -1.810286     -1.250039      5.777991
  H      -3.173805     -0.966873      6.871569
  H      -0.800315      0.849627      6.208778
  H      -1.252030      0.230468      7.816409
  H      -0.681611      4.302799      5.509608
  H      -0.757517      2.591397      5.067849
  H      -2.118871      3.853020      7.514421
  H      -0.643974      2.853648      7.592236
  H      -5.283625      2.405535      8.840980
  H      -4.286923      3.708598      8.163592
  H      -3.644716      0.714615      8.342107
  H      -2.758308      2.037662      9.154357
  C      -3.732606     -0.844057      4.103146
  C      -2.711182     -1.128293      2.987786
  C      -2.732628     -0.060516      1.912299
  O      -3.951200     -0.307000      1.151092
  C      -4.280633      0.348763      0.025185
  C      -5.232177     -0.280910     -0.773752
  C      -5.685417      0.330697     -1.950450
  N      -5.274400      1.512281     -2.396908
  C      -4.346248      2.152226     -1.631076
  C      -3.892372      3.427806     -2.050464
  C      -2.974349      4.109655     -1.287277
  C      -2.503806      3.509493     -0.097616
  N      -2.890615      2.322034      0.335911
  C      -3.800034      1.632122     -0.405343
  C      -3.060537      4.980944      5.069601
  C      -4.251290      5.385562      4.204719
  C      -3.880253      5.628187      2.743474
  O      -4.874272      5.131004      1.812319
  C      -6.107051      5.661570      1.836310
  C      -6.499406      6.776240      2.566320
  C      -7.844849      7.197194      2.517848
  N      -8.804106      6.621002      1.811481
  C      -8.428790      5.542926      1.056570
  C      -9.397342      4.900709      0.248858
  C      -9.023503      3.826372     -0.526423
  C      -7.681490      3.386530     -0.486290
  N      -6.742955      3.945956      0.261868
  C      -7.098843      5.012739      1.022903
  C      -6.558950      2.488908      6.595665
  C      -7.045317      3.939916      6.391881
  C      -8.380361      4.020958      5.668560
  O      -8.217307      3.286319      4.438210
  C      -9.282927      3.043210      3.661509
  C     -10.512691      3.679083      3.741742
  C     -11.527677      3.316054      2.830823
  N     -11.421118      2.387926      1.890839
  C     -10.218788      1.743089      1.809780
  C     -10.034274      0.734229      0.831774
  C      -8.819593      0.087301      0.746367
  C      -7.793503      0.437182      1.651541
  N      -7.921839      1.368855      2.585001
  C      -9.108071      2.026394      2.664219
  H      -3.975525     -1.784997      4.633397
  H      -4.664287     -0.483242      3.645932
  H      -1.700261     -1.173069      3.422421
  H      -2.906687     -2.107243      2.522208
  H      -1.874840     -0.133303      1.227379
  H      -2.760566      0.948428      2.340518
  H      -5.612303     -1.258138     -0.472138
  H      -6.431481     -0.186090     -2.563266
  H      -4.303032      3.837164     -2.974953
  H      -2.612569      5.096674     -1.579132
  H      -1.772749      4.035389      0.525038
  H      -2.221187      5.683046      4.877007
  H      -3.348355      5.158280      6.130944
  H      -4.712301      6.277219      4.651732
  H      -5.001095      4.580076      4.225366
  H      -2.985819      5.047803      2.484345
  H      -3.686643      6.692488      2.528784
  H      -5.794876      7.328834      3.183271
  H      -8.140083      8.069992      3.111621
  H     -10.420432      5.279707      0.267532
  H      -9.745901      3.306846     -1.156499
  H      -7.367392      2.538348     -1.098986
  H      -7.060050      2.047106      7.480200
  H      -6.872398      1.903333      5.722709
  H      -6.293447      4.465972      5.788321
  H      -7.130791      4.476219      7.349782
  H      -8.648317      5.066607      5.446750
  H      -9.200125      3.561303      6.248256
  H     -10.700719      4.463970      4.472544
  H     -12.490253      3.834627      2.888995
  H     -10.866567      0.502970      0.164819
  H      -8.639825     -0.685944     -0.002639
  H      -6.825148     -0.067465      1.606627
  N      -5.021049      2.269921      3.615687
  H      -4.769742      2.849869      2.813669
  H      -5.956777      1.883625      3.443421
101
Coordinates from ORCA-job orca E -6430.119160728682
  N      -3.272495      0.145695      5.072962
  Mo     -3.865171      2.033320      5.230586
  N      -5.108871      2.378975      6.730373
  C      -4.537556      2.664475      8.040145
  C      -3.308997      1.780873      8.241508
  N      -2.442970      1.836597      7.038755
  C      -1.663375      0.588127      6.850275
  C      -2.514666     -0.464927      6.161270
  C      -1.559893      3.028672      7.004721
  C      -1.314344      3.387151      5.535215
  N      -2.580230      3.611986      4.835437
  H      -1.841805     -1.260430      5.786309
  H      -3.198320     -0.958538      6.885029
  H      -0.810712      0.831682      6.201836
  H      -1.262345      0.226849      7.814825
  H      -0.662652      4.279056      5.477235
  H      -0.765182      2.566338      5.044354
  H      -2.090368      3.855855      7.497084
  H      -0.625898      2.840610      7.567477
  H      -5.265681      2.444314      8.843604
  H      -4.263951      3.734364      8.153097
  H      -3.642697      0.738873      8.351246
  H      -2.741620      2.060836      9.147802
  C      -3.753193     -0.842454      4.107976
  C      -2.725814     -1.130098      2.998572
  C      -2.742181     -0.061950      1.921933
  O      -3.951915     -0.314955      1.149896
  C      -4.285203      0.350543      0.030042
  C      -5.237894     -0.274664     -0.771498
  C      -5.691415      0.342158     -1.945221
  N      -5.279581      1.525256     -2.386692
  C      -4.350591      2.161118     -1.618493
  C      -3.895455      3.437945     -2.032689
  C      -2.976370      4.116031     -1.267638
  C      -2.505042      3.510228     -0.081501
  N      -2.892377      2.321226      0.346789
  C      -3.804170      1.635634     -0.395484
  C      -3.043559      4.982208      5.063166
  C      -4.234090      5.399562      4.204549
  C      -3.870146      5.643694      2.741780
  O      -4.867054      5.142945      1.814984
  C      -6.101642      5.669183      1.844341
  C      -6.495816      6.780264      2.578797
  C      -7.842525      7.196986      2.534179
  N      -8.801607      6.619648      1.827856
  C      -8.424883      5.544580      1.069691
  C      -9.393617      4.901580      0.262311
  C      -9.018464      3.830055     -0.516236
  C      -7.675071      3.393562     -0.479061
  N      -6.736299      3.954218      0.268340
  C      -7.093449      5.018643      1.032165
  C      -6.553638      2.497868      6.605447
  C      -7.052370      3.941525      6.378190
  C      -8.390521      4.001885      5.659433
  O      -8.226720      3.251906      4.438582
  C      -9.287627      3.013827      3.655922
  C     -10.517315      3.650131      3.734330
  C     -11.528661      3.293227      2.817163
  N     -11.419461      2.369984      1.873038
  C     -10.217504      1.724282      1.793810
  C     -10.030829      0.720786      0.811256
  C      -8.816255      0.073792      0.725900
  C      -7.791962      0.418381      1.635553
  N      -7.922588      1.344707      2.573875
  C      -9.109249      2.002083      2.653557
  H      -4.002847     -1.782871      4.636015
  H      -4.680614     -0.477375      3.646018
  H      -1.716427     -1.175395      3.438065
  H      -2.919123     -2.111210      2.533758
  H      -1.877833     -0.130685      1.245689
  H      -2.779901      0.947705      2.347361
  H      -5.618325     -1.253013     -0.473963
  H      -6.438025     -0.171771     -2.560030
  H      -4.306309      3.851176     -2.954980
  H      -2.614524      5.104369     -1.555401
  H      -1.773485      4.032940      0.543086
  H      -2.199315      5.678337      4.870622
  H      -3.327445      5.158338      6.125616
  H      -4.686382      6.293165      4.656619
  H      -4.989432      4.599157      4.227818
  H      -2.974865      5.066267      2.477772
  H      -3.681493      6.709027      2.526172
  H      -5.791679      7.333645      3.195869
  H      -8.138958      8.067269      3.131019
  H     -10.417962      5.277704      0.283899
  H      -9.740810      3.310158     -1.146498
  H      -7.359989      2.547206     -1.093986
  H      -7.045976      2.067729      7.500898
  H      -6.868065      1.893854      5.743634
  H      -6.308985      4.461681      5.760545
  H      -7.135592      4.494306      7.326864
  H      -8.668067      5.042697      5.423452
  H      -9.203340      3.543527      6.248431
  H     -10.708592      4.430512      4.469254
  H     -12.491319      3.812501      2.874339
  H     -10.861537      0.493947      0.140414
  H      -8.634658     -0.695090     -0.026987
  H      -6.822945     -0.086231      1.589580
  N      -5.024987      2.281053      3.614629
  H      -4.778802      2.869119      2.814818
  H      -5.956673      1.885588      3.441392
101
Coordinates from ORCA-job orca E -6430.119164383653
  N      -3.302378      0.148796      5.073329
  Mo     -3.873207      2.044390      5.224824
  N      -5.102520      2.404673      6.730568
  C      -4.520310      2.697689      8.034070
  C      -3.296744      1.807354      8.234935
  N      -2.440431      1.844511      7.024290
  C      -1.676826      0.586473      6.837890
  C      -2.543159     -0.462108      6.160958
  C      -1.542268      3.025960      6.973937
  C      -1.309237      3.374132      5.500014
  N      -2.580105      3.614591      4.817210
  H      -1.879816     -1.265933      5.785998
  H      -3.226153     -0.945733      6.892338
  H      -0.826110      0.816731      6.182812
  H      -1.273267      0.227183      7.801919
  H      -0.641961      4.255725      5.428440
  H      -0.781302      2.541051      5.005467
  H      -2.054878      3.862542      7.469232
  H      -0.604548      2.828830      7.525478
  H      -5.243959      2.489818      8.843924
  H      -4.238110      3.766139      8.135863
  H      -3.637782      0.769118      8.358084
  H      -2.719420      2.092021      9.134028
  C      -3.781408     -0.838040      4.107739
  C      -2.743853     -1.137248      3.010340
  C      -2.743987     -0.075519      1.929045
  O      -3.939388     -0.333919      1.136909
  C      -4.269319      0.338282      0.022052
  C      -5.220483     -0.282451     -0.785189
  C      -5.671963      0.340470     -1.954920
  N      -5.261738      1.527071     -2.387125
  C      -4.334251      2.158736     -1.613533
  C      -3.880658      3.438907     -2.018492
  C      -2.960909      4.111836     -1.249461
  C      -2.486942      3.497023     -0.068638
  N      -2.873664      2.305274      0.351590
  C      -3.786854      1.625078     -0.394606
  C      -3.028332      4.985829      5.063170
  C      -4.224705      5.418982      4.218862
  C      -3.872265      5.664492      2.752447
  O      -4.870134      5.153147      1.831732
  C      -6.107712      5.671671      1.865242
  C      -6.505668      6.778002      2.603101
  C      -7.853560      7.188957      2.559397
  N      -8.810783      6.610384      1.851237
  C      -8.430698      5.539460      1.090300
  C      -9.397329      4.895936      0.280252
  C      -9.018477      3.828542     -0.502065
  C      -7.671724      3.397321     -0.467689
  N      -6.735478      3.958641      0.282986
  C      -7.097634      5.018780      1.051827
  C      -6.549490      2.508247      6.616550
  C      -7.061477      3.943498      6.368505
  C      -8.405977      3.981304      5.661654
  O      -8.240772      3.218571      4.449209
  C      -9.297570      2.990189      3.659222
  C     -10.524705      3.630768      3.733925
  C     -11.532602      3.283995      2.808456
  N     -11.420729      2.368052      1.857854
  C     -10.219700      1.718900      1.781021
  C     -10.028971      0.724585      0.790239
  C      -8.817082      0.074173      0.707810
  C      -7.796804      0.408142      1.626127
  N      -7.930401      1.326175      2.571238
  C      -9.116770      1.985170      2.650518
  H      -4.043612     -1.773420      4.636298
  H      -4.702263     -0.467286      3.635323
  H      -1.737496     -1.185157      3.461127
  H      -2.937342     -2.120283      2.547119
  H      -1.869229     -0.145115      1.268036
  H      -2.790723      0.934138      2.350280
  H      -5.601319     -1.262252     -0.495339
  H      -6.417287     -0.170340     -2.573838
  H      -4.293085      3.858636     -2.937293
  H      -2.599874      5.102245     -1.530102
  H      -1.752468      4.013966      0.557959
  H      -2.178776      5.676228      4.869357
  H      -3.301199      5.156585      6.130357
  H      -4.664242      6.316030      4.680544
  H      -4.988637      4.625539      4.247118
  H      -2.973244      5.095030      2.483355
  H      -3.694593      6.731341      2.534231
  H      -5.803065      7.332451      3.221348
  H      -8.152117      8.056095      3.157562
  H     -10.422087      5.268738      0.301494
  H      -9.739182      3.308529     -1.134831
  H      -7.351570      2.554738     -1.088258
  H      -7.030250      2.088922      7.523009
  H      -6.866621      1.887280      5.768118
  H      -6.326875      4.456613      5.732785
  H      -7.140341      4.514936      7.307335
  H      -8.696636      5.016762      5.415749
  H      -9.210227      3.520897      6.261826
  H     -10.717622      4.406238      4.472824
  H     -12.494256      3.806695      2.863691
  H     -10.854775      0.507841      0.110968
  H      -8.633035     -0.687998     -0.050295
  H      -6.827058     -0.097249      1.579355
  N      -5.034305      2.297609      3.610572
  H      -4.796741      2.893939      2.816111
  H      -5.959591      1.887327      3.433513
101
Coordinates from ORCA-job orca E -6430.119209006561
  N      -3.332721      0.156023      5.071774
  Mo     -3.876883      2.059720      5.215971
  N      -5.101619      2.440084      6.720185
  C      -4.516013      2.734417      8.021919
  C      -3.303733      1.828626      8.227688
  N      -2.446982      1.846198      7.016551
  C      -1.702944      0.575134      6.836243
  C      -2.585739     -0.461992      6.163354
  C      -1.530447      3.012758      6.961474
  C      -1.295607      3.355209      5.486383
  N      -2.564454      3.612873      4.805364
  H      -1.935905     -1.278211      5.794300
  H      -3.277977     -0.929718      6.895590
  H      -0.848245      0.788645      6.180401
  H      -1.305658      0.213435      7.802134
  H      -0.616581      4.226572      5.412283
  H      -0.780318      2.514252      4.992323
  H      -2.028458      3.858265      7.456778
  H      -0.594431      2.801453      7.511473
  H      -5.242472      2.540484      8.833563
  H      -4.220209      3.800355      8.116778
  H      -3.659048      0.795926      8.357846
  H      -2.722301      2.110880      9.124667
  C      -3.827416     -0.826899      4.109207
  C      -2.795818     -1.146089      3.011594
  C      -2.777707     -0.087150      1.927266
  O      -3.974775     -0.331634      1.132706
  C      -4.298871      0.348820      0.020990
  C      -5.254698     -0.260261     -0.789629
  C      -5.702332      0.373224     -1.955787
  N      -5.283884      1.559638     -2.381223
  C      -4.351257      2.179645     -1.604447
  C      -3.888831      3.459137     -2.001972
  C      -2.963384      4.120370     -1.229600
  C      -2.492660      3.494522     -0.053126
  N      -2.887963      2.303151      0.360331
  C      -3.806984      1.634414     -0.388902
  C      -2.995328      4.989206      5.053510
  C      -4.193579      5.433309      4.218755
  C      -3.852684      5.674834      2.749455
  O      -4.858920      5.163432      1.838485
  C      -6.096594      5.681050      1.883634
  C      -6.489691      6.786486      2.626294
  C      -7.838943      7.195325      2.596085
  N      -8.801360      6.616529      1.895506
  C      -8.426216      5.547145      1.129330
  C      -9.398182      4.904654      0.325263
  C      -9.024574      3.837916     -0.460729
  C      -7.678832      3.405231     -0.434246
  N      -6.737049      3.966577      0.308930
  C      -7.092999      5.027252      1.079374
  C      -6.549281      2.541135      6.607943
  C      -7.066026      3.970146      6.339805
  C      -8.410214      3.988940      5.631119
  O      -8.235871      3.213018      4.428096
  C      -9.288002      2.957664      3.639364
  C     -10.528843      3.572602      3.708394
  C     -11.527717      3.197465      2.784418
  N     -11.395269      2.277245      1.840440
  C     -10.180848      1.653670      1.769128
  C      -9.967534      0.657139      0.784957
  C      -8.741230      0.032886      0.707498
  C      -7.729725      0.395484      1.624573
  N      -7.884469      1.316650      2.563716
  C      -9.084840      1.949700      2.637770
  H      -4.105339     -1.756679      4.641047
  H      -4.741856     -0.442645      3.635609
  H      -1.791735     -1.209959      3.461984
  H      -3.005943     -2.125698      2.551155
  H      -1.901655     -0.170358      1.268002
  H      -2.811413      0.924656      2.346705
  H      -5.642315     -1.239267     -0.505238
  H      -6.451448     -0.128404     -2.577608
  H      -4.299089      3.887694     -2.917878
  H      -2.595382      5.109903     -1.504367
  H      -1.753412      4.001860      0.575631
  H      -2.140561      5.670437      4.852652
  H      -3.258656      5.163133      6.122106
  H      -4.621148      6.333762      4.682951
  H      -4.963229      4.646872      4.254604
  H      -2.957335      5.102828      2.474577
  H      -3.674909      6.740491      2.527206
  H      -5.782705      7.341174      3.238892
  H      -8.134139      8.060807      3.199240
  H     -10.422989      5.277477      0.354264
  H      -9.749244      3.318793     -1.089038
  H      -7.364096      2.561881     -1.055345
  H      -7.028571      2.133305      7.520074
  H      -6.866343      1.908132      5.769509
  H      -6.333204      4.477469      5.697477
  H      -7.148654      4.554202      7.269903
  H      -8.708928      5.018255      5.372873
  H      -9.211901      3.528718      6.235565
  H     -10.739534      4.348787      4.442106
  H     -12.499872      3.699336      2.835144
  H     -10.788007      0.417546      0.106570
  H      -8.539593     -0.730340     -0.045586
  H      -6.750015     -0.089042      1.582507
  N      -5.032543      2.322684      3.599014
  H      -4.787899      2.916346      2.805437
  H      -5.965401      1.928493      3.424791
101
Coordinates from ORCA-job orca E -6430.119187585895
  N      -3.401696      0.180527      5.046057
  Mo     -3.887410      2.100288      5.182543
  N      -5.100467      2.519516      6.686256
  C      -4.505787      2.807445      7.985388
  C      -3.321311      1.865694      8.197091
  N      -2.465174      1.847259      6.986090
  C      -1.766425      0.548812      6.813391
  C      -2.687261     -0.457990      6.146387
  C      -1.509761      2.980538      6.929258
  C      -1.269167      3.319552      5.453294
  N      -2.530669      3.614580      4.771456
  H      -2.070385     -1.304455      5.789913
  H      -3.401919     -0.888135      6.879176
  H      -0.904489      0.726966      6.155866
  H      -1.382815      0.177765      7.781938
  H      -0.567997      4.170635      5.380690
  H      -0.776862      2.466328      4.957179
  H      -1.975887      3.841715      7.429895
  H      -0.578799      2.734573      7.476603
  H      -5.237052      2.640136      8.799017
  H      -4.178699      3.865019      8.072046
  H      -3.708854      0.846299      8.335451
  H      -2.730710      2.135635      9.091235
  C      -3.928147     -0.786293      4.082390
  C      -2.902443     -1.152079      2.993187
  C      -2.818654     -0.088721      1.912051
  O      -4.010709     -0.276405      1.095059
  C      -4.287299      0.435395     -0.012861
  C      -5.242993     -0.127104     -0.856768
  C      -5.640081      0.540440     -2.024138
  N      -5.170210      1.718185     -2.420091
  C      -4.236136      2.292671     -1.610700
  C      -3.719692      3.561262     -1.975783
  C      -2.792156      4.177866     -1.169779
  C      -2.373129      3.517654      0.007186
  N      -2.819040      2.334049      0.390723
  C      -3.742186      1.709876     -0.390636
  C      -2.924805      5.003465      5.013261
  C      -4.122620      5.465563      4.191247
  C      -3.799888      5.695087      2.717283
  O      -4.810728      5.166092      1.821775
  C      -6.060421      5.652573      1.886783
  C      -6.473851      6.746690      2.637364
  C      -7.836226      7.112674      2.634386
  N      -8.792622      6.504005      1.950928
  C      -8.398260      5.447433      1.175586
  C      -9.363703      4.775235      0.388217
  C      -8.971560      3.717742     -0.401774
  C      -7.615580      3.322768     -0.392898
  N      -6.678035      3.914471      0.331092
  C      -7.050765      4.968048      1.101966
  C      -6.549294      2.617987      6.582898
  C      -7.077058      4.035669      6.281857
  C      -8.436125      4.023802      5.600930
  O      -8.284907      3.211524      4.418765
  C      -9.353560      2.911584      3.668959
  C     -10.607982      3.496505      3.762769
  C     -11.622983      3.073601      2.879308
  N     -11.495133      2.134785      1.952619
  C     -10.268360      1.541462      1.857295
  C     -10.059719      0.528842      0.888970
  C      -8.819594     -0.066739      0.787706
  C      -7.790843      0.341501      1.665812
  N      -7.941618      1.280202      2.589069
  C      -9.154587      1.884712      2.685401
  H      -4.250215     -1.703602      4.614477
  H      -4.820514     -0.364574      3.601323
  H      -1.910086     -1.265468      3.452877
  H      -3.153177     -2.119480      2.529955
  H      -1.934059     -0.208932      1.267169
  H      -2.813829      0.925248      2.333664
  H      -5.670767     -1.096569     -0.596442
  H      -6.390089      0.075066     -2.672979
  H      -4.091088      4.017569     -2.894618
  H      -2.384101      5.158609     -1.419008
  H      -1.634356      3.989781      0.662873
  H      -2.059197      5.663859      4.796195
  H      -3.172344      5.189444      6.082118
  H      -4.531033      6.372298      4.654969
  H      -4.900529      4.690711      4.242067
  H      -2.903944      5.125582      2.438912
  H      -3.631944      6.759399      2.482558
  H      -5.774101      7.322640      3.238010
  H      -8.148407      7.967108      3.246901
  H     -10.399701      5.116943      0.435169
  H      -9.690602      3.175060     -1.015730
  H      -7.289008      2.484214     -1.011257
  H      -7.019540      2.233097      7.509448
  H      -6.872455      1.961101      5.764619
  H      -6.361836      4.527530      5.611020
  H      -7.144034      4.645834      7.195111
  H      -8.748871      5.041922      5.316980
  H      -9.219483      3.577478      6.237382
  H     -10.817379      4.284537      4.485677
  H     -12.605515      3.549733      2.949955
  H     -10.894918      0.253496      0.241024
  H      -8.621187     -0.842140      0.045924
  H      -6.802368     -0.120086      1.606184
  N      -5.031517      2.387590      3.561383
  H      -4.766531      2.974671      2.766399
  H      -5.977177      2.025172      3.387914
101
Coordinates from ORCA-job orca E -6430.119394499367
  N      -3.452396      0.189787      5.045382
  Mo     -3.908119      2.117967      5.174022
  N      -5.098609      2.558557      6.687636
  C      -4.486787      2.851074      7.977988
  C      -3.311740      1.896390      8.185812
  N      -2.470250      1.856445      6.964706
  C      -1.792950      0.546849      6.791999
  C      -2.736707     -0.450795      6.143831
  C      -1.497210      2.973962      6.889096
  C      -1.271725      3.301900      5.408234
  N      -2.537214      3.616156      4.743829
  H      -2.136517     -1.309763      5.787770
  H      -3.449764     -0.864146      6.888103
  H      -0.937570      0.708712      6.121950
  H      -1.402141      0.176975      7.757989
  H      -0.555723      4.140371      5.321522
  H      -0.802335      2.437375      4.908883
  H      -1.940380      3.845045      7.393581
  H      -0.562756      2.714692      7.423314
  H      -5.211035      2.700928      8.800550
  H      -4.145020      3.904683      8.050575
  H      -3.710900      0.883523      8.338951
  H      -2.706985      2.167349      9.070374
  C      -3.992965     -0.775507      4.088886
  C      -2.968926     -1.170097      3.008373
  C      -2.859621     -0.118932      1.918610
  O      -4.040955     -0.301458      1.085027
  C      -4.301008      0.413634     -0.024193
  C      -5.250560     -0.142150     -0.879480
  C      -5.629567      0.528215     -2.050703
  N      -5.149748      1.704278     -2.439092
  C      -4.221972      2.272590     -1.618251
  C      -3.695750      3.539536     -1.974916
  C      -2.772504      4.149122     -1.158573
  C      -2.366719      3.482775      0.019736
  N      -2.822573      2.300810      0.395848
  C      -3.742909      1.684293     -0.394933
  C      -2.905641      5.009342      4.999542
  C      -4.104557      5.499785      4.195003
  C      -3.795231      5.745074      2.719547
  O      -4.810367      5.221005      1.825571
  C      -6.062939      5.696044      1.912383
  C      -6.476335      6.771588      2.688740
  C      -7.841605      7.125045      2.709320
  N      -8.801220      6.520999      2.026158
  C      -8.407418      5.484161      1.224797
  C      -9.376988      4.818400      0.436776
  C      -8.985662      3.780383     -0.378907
  C      -7.625332      3.399137     -0.396456
  N      -6.684013      3.985102      0.327472
  C      -7.056783      5.018946      1.125034
  C      -6.549385      2.641437      6.600010
  C      -7.094153      4.047293      6.276222
  C      -8.453100      4.004907      5.597201
  O      -8.284013      3.178248      4.427632
  C      -9.340091      2.863991      3.667006
  C     -10.601879      3.434946      3.742449
  C     -11.599449      3.000224      2.844620
  N     -11.447428      2.063470      1.919537
  C     -10.212614      1.483408      1.842689
  C      -9.977389      0.474779      0.876358
  C      -8.729530     -0.106551      0.793782
  C      -7.718603      0.312432      1.687689
  N      -7.894046      1.248634      2.608866
  C      -9.115758      1.838253      2.687784
  H      -4.332923     -1.681443      4.628083
  H      -4.876472     -0.342232      3.601035
  H      -1.980461     -1.296922      3.474865
  H      -3.234185     -2.137489      2.552459
  H      -1.967903     -0.254933      1.287334
  H      -2.848851      0.898146      2.330866
  H      -5.686770     -1.109279     -0.625622
  H      -6.374396      0.067531     -2.708709
  H      -4.056129      3.999988     -2.896057
  H      -2.356939      5.128262     -1.401305
  H      -1.630405      3.948202      0.683155
  H      -2.030707      5.656430      4.778495
  H      -3.138167      5.191787      6.072619
  H      -4.494081      6.406885      4.675347
  H      -4.893484      4.735965      4.245598
  H      -2.898767      5.183357      2.427407
  H      -3.634970      6.812582      2.494329
  H      -5.774151      7.341749      3.292211
  H      -8.153346      7.964080      3.342350
  H     -10.415066      5.149373      0.503306
  H      -9.707670      3.243343     -0.994603
  H      -7.298406      2.576713     -1.036630
  H      -7.006272      2.269146      7.538129
  H      -6.875163      1.966058      5.797648
  H      -6.386451      4.534926      5.593667
  H      -7.166595      4.674193      7.178218
  H      -8.782386      5.013480      5.297844
  H      -9.229688      3.554388      6.239349
  H     -10.829792      4.222129      4.460276
  H     -12.588446      3.465604      2.900742
  H     -10.798866      0.191446      0.214886
  H      -8.511193     -0.878926      0.054698
  H      -6.723551     -0.137689      1.642052
  N      -5.061836      2.407742      3.560316
  H      -4.806421      3.002088      2.768160
  H      -5.996157      2.019310      3.380072
101
Coordinates from ORCA-job orca E -6430.119442309244
  N      -3.529888      0.211360      5.024661
  Mo     -3.931133      2.152961      5.149751
  N      -5.097842      2.622322      6.669486
  C      -4.469833      2.907337      7.954377
  C      -3.315891      1.926261      8.159623
  N      -2.485982      1.862411      6.930465
  C      -1.841324      0.537518      6.750182
  C      -2.817053     -0.440431      6.119026
  C      -1.484722      2.955682      6.843810
  C      -1.263998      3.273840      5.360730
  N      -2.526858      3.619782      4.710529
  H      -2.242113     -1.315899      5.760049
  H      -3.530166     -0.833090      6.875272
  H      -0.994572      0.681668      6.065722
  H      -1.443452      0.161496      7.710346
  H      -0.524728      4.094257      5.264922
  H      -0.823699      2.394984      4.858553
  H      -1.898153      3.838395      7.352977
  H      -0.552546      2.673084      7.366928
  H      -5.191021      2.781325      8.782419
  H      -4.100847      3.951596      8.015440
  H      -3.738112      0.923874      8.322837
  H      -2.696745      2.188417      9.037577
  C      -4.105278     -0.744393      4.080843
  C      -3.097541     -1.188681      3.005603
  C      -2.940894     -0.150641      1.913215
  O      -4.117298     -0.290741      1.063687
  C      -4.341712      0.444654     -0.038292
  C      -5.293474     -0.073036     -0.914389
  C      -5.641326      0.626044     -2.077093
  N      -5.132410      1.798494     -2.436347
  C      -4.203107      2.330870     -1.593562
  C      -3.647757      3.593975     -1.917808
  C      -2.718374      4.165541     -1.080684
  C      -2.334979      3.463812      0.084937
  N      -2.820197      2.285064      0.431758
  C      -3.748125      1.706715     -0.378991
  C      -2.853190      5.019908      4.978358
  C      -4.058256      5.540963      4.200632
  C      -3.774943      5.781140      2.716336
  O      -4.793010      5.238291      1.836656
  C      -6.049410      5.698166      1.935649
  C      -6.460968      6.786139      2.693532
  C      -7.829322      7.122935      2.731189
  N      -8.794578      6.489665      2.083345
  C      -8.403802      5.439059      1.299749
  C      -9.380689      4.739727      0.550478
  C      -8.992475      3.687800     -0.248580
  C      -7.625858      3.326475     -0.288970
  N      -6.677857      3.944079      0.399514
  C      -7.049311      4.991053      1.181936
  C      -6.550015      2.695694      6.592125
  C      -7.105646      4.089502      6.237907
  C      -8.464077      4.015055      5.560107
  O      -8.274603      3.171527      4.405977
  C      -9.320303      2.825399      3.645274
  C     -10.595527      3.365918      3.709186
  C     -11.577348      2.899923      2.808600
  N     -11.396919      1.960001      1.891767
  C     -10.147539      1.407857      1.828337
  C      -9.881788      0.392954      0.876055
  C      -8.619771     -0.156260      0.806272
  C      -7.623520      0.299161      1.699138
  N      -7.828116      1.239593      2.609228
  C      -9.065677      1.797381      2.676451
  H      -4.474591     -1.629545      4.631431
  H      -4.975586     -0.286042      3.589672
  H      -2.113809     -1.353917      3.476014
  H      -3.402265     -2.146770      2.553339
  H      -2.049116     -0.322094      1.292245
  H      -2.894947      0.863888      2.323121
  H      -5.753783     -1.034495     -0.685697
  H      -6.387033      0.193864     -2.752664
  H      -3.990214      4.081479     -2.832049
  H      -2.278924      5.139699     -1.299260
  H      -1.590686      3.895570      0.762573
  H      -1.965599      5.644652      4.740237
  H      -3.056754      5.205799      6.057572
  H      -4.416412      6.456868      4.692383
  H      -4.863871      4.794796      4.269363
  H      -2.876095      5.229342      2.414541
  H      -3.631775      6.848863      2.481591
  H      -5.753787      7.380653      3.267256
  H      -8.138386      7.973556      3.348008
  H     -10.420421      5.058953      0.629187
  H      -9.719085      3.130017     -0.840177
  H      -7.298975      2.494718     -0.919981
  H      -6.998828      2.341111      7.540402
  H      -6.878174      2.001296      5.807692
  H      -6.401451      4.567539      5.541568
  H      -7.184098      4.738385      7.125261
  H      -8.809735      5.012053      5.241771
  H      -9.235368      3.562684      6.209284
  H     -10.845731      4.153401      4.417937
  H     -12.578566      3.341983      2.854975
  H     -10.692606      0.077254      0.217631
  H      -8.379066     -0.933099      0.079210
  H      -6.615630     -0.126053      1.663386
  N      -5.086594      2.460381      3.542230
  H      -4.828476      3.055647      2.754583
  H      -6.015097      2.059253      3.352411
101
Coordinates from ORCA-job orca E -6430.119453470668
  N      -3.502991      0.215159      5.030058
  Mo     -3.909793      2.157473      5.144711
  N      -5.083187      2.627276      6.658096
  C      -4.459256      2.919953      7.943566
  C      -3.302752      1.943882      8.157811
  N      -2.468513      1.880091      6.931297
  C      -1.816251      0.558930      6.754795
  C      -2.786317     -0.427095      6.127944
  C      -1.471625      2.977957      6.843823
  C      -1.248063      3.291741      5.360911
  N      -2.510697      3.631620      4.708200
  H      -2.206154     -1.300329      5.772997
  H      -3.496923     -0.820790      6.886094
  H      -0.972164      0.707351      6.068309
  H      -1.414522      0.188940      7.715368
  H      -0.510891      4.114844      5.264461
  H      -0.803950      2.412840      4.862754
  H      -1.890354      3.859584      7.349269
  H      -0.539606      2.701768      7.369149
  H      -5.182852      2.798575      8.770311
  H      -4.091563      3.965039      7.998008
  H      -3.721716      0.940276      8.324204
  H      -2.687275      2.212699      9.036578
  C      -4.071610     -0.751567      4.093408
  C      -3.056820     -1.200556      3.026595
  C      -2.896123     -0.172123      1.928089
  O      -4.064076     -0.321789      1.068338
  C      -4.283222      0.411165     -0.035643
  C      -5.222354     -0.113649     -0.921078
  C      -5.563836      0.583225     -2.086473
  N      -5.062233      1.760716     -2.439160
  C      -4.146866      2.300953     -1.586310
  C      -3.601277      3.570396     -1.902671
  C      -2.684099      4.148661     -1.056584
  C      -2.302652      3.447023      0.109906
  N      -2.780115      2.263246      0.450016
  C      -3.696744      1.678464     -0.369108
  C      -2.841396      5.029768      4.979708
  C      -4.055350      5.545967      4.210620
  C      -3.780709      5.786432      2.723382
  O      -4.792423      5.230381      1.844079
  C      -6.053669      5.675950      1.943317
  C      -6.476786      6.754714      2.706904
  C      -7.847040      7.084065      2.735981
  N      -8.803495      6.454030      2.072109
  C      -8.400561      5.414247      1.280649
  C      -9.366250      4.723399      0.509252
  C      -8.966141      3.681403     -0.296728
  C      -7.597608      3.323525     -0.324665
  N      -6.659379      3.936050      0.381664
  C      -7.043556      4.971462      1.173641
  C      -6.536975      2.681530      6.582192
  C      -7.108733      4.068140      6.223528
  C      -8.482149      3.984900      5.576229
  O      -8.322354      3.150660      4.410969
  C      -9.392828      2.817326      3.679642
  C     -10.666251      3.350597      3.804700
  C     -11.679796      2.906511      2.927856
  N     -11.529612      1.997134      1.975965
  C     -10.280366      1.454624      1.848879
  C     -10.043067      0.479588      0.848591
  C      -8.779903     -0.051290      0.707235
  C      -7.753033      0.381948      1.575986
  N      -7.930727      1.282312      2.530702
  C      -9.170064      1.822027      2.669588
  H      -4.437912     -1.633071      4.651034
  H      -4.943588     -0.302518      3.595689
  H      -2.074195     -1.359904      3.504046
  H      -3.357190     -2.162371      2.578529
  H      -1.999669     -0.345002      1.315485
  H      -2.856692      0.843966      2.331304
  H      -5.675357     -1.080176     -0.699738
  H      -6.297880      0.144438     -2.770281
  H      -3.940865      4.056729     -2.818746
  H      -2.251721      5.127230     -1.269433
  H      -1.565778      3.882493      0.793497
  H      -1.957302      5.658608      4.735856
  H      -3.037427      5.214939      6.061242
  H      -4.412173      6.462418      4.704712
  H      -4.860233      4.798033      4.287296
  H      -2.874865      5.247497      2.419530
  H      -3.653424      6.855784      2.486575
  H      -5.776831      7.347745      3.291267
  H      -8.165150      7.927434      3.357211
  H     -10.407069      5.040249      0.577606
  H      -9.684218      3.129822     -0.904632
  H      -7.260536      2.499422     -0.961199
  H      -6.977495      2.328548      7.534996
  H      -6.861355      1.978626      5.804065
  H      -6.420032      4.544933      5.509699
  H      -7.174320      4.723886      7.107145
  H      -8.842263      4.981236      5.272094
  H      -9.234744      3.525130      6.242590
  H     -10.891593      4.117680      4.542793
  H     -12.680498      3.342886      3.023818
  H     -10.875461      0.181739      0.209966
  H      -8.560548     -0.795630     -0.059470
  H      -6.741800     -0.026088      1.480559
  N      -5.055783      2.452253      3.529556
  H      -4.798565      3.050861      2.745838
  H      -5.965008      2.018443      3.321341
101
Coordinates from ORCA-job orca E -6430.119644677466
  N      -3.570684      0.229602      5.025049
  Mo     -3.931757      2.180841      5.128855
  N      -5.075210      2.685336      6.654098
  C      -4.428922      2.979635      7.927572
  C      -3.293235      1.977147      8.137321
  N      -2.476123      1.880435      6.902523
  C      -1.863153      0.538754      6.732884
  C      -2.867505     -0.423889      6.123997
  C      -1.453825      2.951042      6.797236
  C      -1.245093      3.259327      5.309509
  N      -2.508669      3.624273      4.667514
  H      -2.317139     -1.318828      5.776125
  H      -3.584879     -0.785845      6.890452
  H      -1.021664      0.655106      6.036520
  H      -1.462603      0.165291      7.693548
  H      -0.495415      4.065462      5.203119
  H      -0.823125      2.371994      4.808279
  H      -1.844238      3.843453      7.307205
  H      -0.520106      2.651868      7.311801
  H      -5.144282      2.884663      8.765358
  H      -4.036082      4.016428      7.964801
  H      -3.733903      0.986428      8.318225
  H      -2.660938      2.238588      9.005322
  C      -4.160273     -0.723339      4.085794
  C      -3.154735     -1.200003      3.021675
  C      -2.946002     -0.161193      1.935491
  O      -4.108364     -0.262363      1.062138
  C      -4.290810      0.493562     -0.036827
  C      -5.238293      0.011733     -0.937655
  C      -5.537722      0.729260     -2.104551
  N      -4.983228      1.887226     -2.445011
  C      -4.057550      2.385242     -1.577596
  C      -3.455474      3.632520     -1.880483
  C      -2.528411      4.170090     -1.018983
  C      -2.193038      3.449255      0.149312
  N      -2.722348      2.283710      0.476354
  C      -3.651455      1.740201     -0.356327
  C      -2.812989      5.032314      4.924190
  C      -4.026213      5.559798      4.165092
  C      -3.769981      5.792211      2.675493
  O      -4.792255      5.231306      1.811668
  C      -6.058759      5.656916      1.940320
  C      -6.489093      6.705963      2.743103
  C      -7.864920      7.010801      2.803142
  N      -8.819931      6.385416      2.132472
  C      -8.410622      5.376806      1.303179
  C      -9.375552      4.692737      0.524980
  C      -8.970154      3.677419     -0.312316
  C      -7.598591      3.342783     -0.366385
  N      -6.659904      3.951165      0.342282
  C      -7.048032      4.958312      1.165875
  C      -6.529597      2.731166      6.599030
  C      -7.116841      4.100338      6.203763
  C      -8.495225      3.982033      5.575004
  O      -8.338652      3.103670      4.441707
  C      -9.403635      2.753646      3.711775
  C     -10.675139      3.299126      3.808952
  C     -11.677927      2.847360      2.925380
  N     -11.521192      1.921120      1.991058
  C     -10.276891      1.364270      1.893817
  C     -10.033197      0.377695      0.907330
  C      -8.774413     -0.174372      0.798086
  C      -7.759512      0.253454      1.683490
  N      -7.942520      1.171619      2.621667
  C      -9.175990      1.731706      2.728089
  H      -4.556054     -1.596651      4.641218
  H      -5.014507     -0.249100      3.584467
  H      -2.185379     -1.401498      3.502225
  H      -3.486068     -2.146577      2.564516
  H      -2.046757     -0.356631      1.330724
  H      -2.878365      0.853098      2.347855
  H      -5.732802     -0.937162     -0.724814
  H      -6.280163      0.324038     -2.800732
  H      -3.761674      4.135592     -2.798784
  H      -2.055427      5.132490     -1.220540
  H      -1.452298      3.853957      0.846853
  H      -1.924165      5.644606      4.661705
  H      -2.994788      5.232166      6.003963
  H      -4.365682      6.481515      4.655502
  H      -4.837193      4.822782      4.257640
  H      -2.866339      5.253769      2.361942
  H      -3.648912      6.861050      2.432974
  H      -5.791734      7.290282      3.339128
  H      -8.189544      7.827926      3.457978
  H     -10.422302      4.988084      0.620120
  H      -9.688723      3.122904     -0.916843
  H      -7.260671      2.536367     -1.020551
  H      -6.954190      2.406055      7.569165
  H      -6.860936      2.000943      5.847236
  H      -6.445331      4.557956      5.465812
  H      -7.174919      4.782851      7.065334
  H      -8.866573      4.962972      5.235049
  H      -9.235079      3.542053      6.265631
  H     -10.904678      4.085065      4.527607
  H     -12.674589      3.294145      2.997578
  H     -10.856310      0.090521      0.249749
  H      -8.549876     -0.928872      0.042525
  H      -6.754348     -0.170564      1.613835
  N      -5.087001      2.489803      3.522589
  H      -4.826785      3.088852      2.734889
  H      -6.005062      2.073042      3.325418
101
Coordinates from ORCA-job orca E -6430.119829479278
  N      -3.588842      0.217781      5.012930
  Mo     -3.942743      2.170839      5.117344
  N      -5.076358      2.682661      6.646054
  C      -4.423824      2.972580      7.917530
  C      -3.292275      1.964877      8.122415
  N      -2.479731      1.868224      6.884030
  C      -1.869064      0.526375      6.708851
  C      -2.878577     -0.436161      6.107398
  C      -1.456715      2.938780      6.774094
  C      -1.250663      3.243412      5.285623
  N      -2.515649      3.606970      4.646910
  H      -2.331727     -1.331936      5.755774
  H      -3.590772     -0.796900      6.879671
  H      -1.034155      0.644405      6.005149
  H      -1.460313      0.152652      7.665583
  H      -0.500962      4.050694      5.176324
  H      -0.829551      2.355177      4.785038
  H      -1.846493      3.831974      7.282332
  H      -0.522427      2.641237      7.286559
  H      -5.136534      2.883268      8.757856
  H      -4.024173      4.006506      7.951189
  H      -3.736185      0.975142      8.302507
  H      -2.655960      2.222524      8.989038
  C      -4.190234     -0.732970      4.079680
  C      -3.195640     -1.214551      3.008714
  C      -2.972576     -0.165848      1.937537
  O      -4.141721     -0.224766      1.069008
  C      -4.301992      0.549126     -0.019914
  C      -5.254000      0.101831     -0.933044
  C      -5.535033      0.846630     -2.086685
  N      -4.958875      2.000784     -2.401890
  C      -4.027646      2.465132     -1.521781
  C      -3.401638      3.706667     -1.797785
  C      -2.466629      4.209095     -0.923393
  C      -2.148054      3.458880      0.231169
  N      -2.701400      2.297936      0.533851
  C      -3.637512      1.788540     -0.312629
  C      -2.811121      5.018063      4.894980
  C      -4.030337      5.547006      4.144405
  C      -3.782737      5.765612      2.650024
  O      -4.811180      5.205135      1.793165
  C      -6.069838      5.657660      1.903540
  C      -6.481444      6.745352      2.662604
  C      -7.850898      7.078550      2.706084
  N      -8.816893      6.443582      2.060781
  C      -8.425970      5.393535      1.275862
  C      -9.403228      4.693414      0.527954
  C      -9.015716      3.639308     -0.268822
  C      -7.649081      3.280632     -0.311429
  N      -6.699904      3.901579      0.372056
  C      -7.070902      4.947275      1.155232
  C      -6.530475      2.740482      6.591243
  C      -7.104858      4.113596      6.188991
  C      -8.480590      4.001305      5.553448
  O      -8.318311      3.119310      4.423715
  C      -9.382497      2.753323      3.699910
  C     -10.658109      3.289103      3.793890
  C     -11.662215      2.810695      2.925365
  N     -11.503052      1.864539      2.011428
  C     -10.254045      1.316076      1.919084
  C     -10.009958      0.300148      0.962610
  C      -8.748172     -0.245561      0.861730
  C      -7.730059      0.216860      1.725758
  N      -7.913653      1.160979      2.637293
  C      -9.150956      1.714568      2.735716
  H      -4.585209     -1.602949      4.638950
  H      -5.046649     -0.255416      3.584052
  H      -2.226747     -1.437867      3.484207
  H      -3.544242     -2.149974      2.540554
  H      -2.082109     -0.370677      1.324238
  H      -2.879639      0.838175      2.366196
  H      -5.767034     -0.841185     -0.740844
  H      -6.281618      0.468442     -2.793304
  H      -3.695580      4.233591     -2.706820
  H      -1.974213      5.165541     -1.105231
  H      -1.400160      3.834078      0.937771
  H      -1.921608      5.623348      4.616510
  H      -2.977383      5.227987      5.976111
  H      -4.357869      6.476442      4.630877
  H      -4.847858      4.817639      4.250860
  H      -2.884380      5.218759      2.336843
  H      -3.655302      6.831545      2.397694
  H      -5.773713      7.341008      3.234559
  H      -8.160187      7.928446      3.324470
  H     -10.444050      5.010684      0.609944
  H      -9.743570      3.075743     -0.853523
  H      -7.323523      2.445716     -0.937493
  H      -6.958441      2.423079      7.562311
  H      -6.868073      2.010631      5.842226
  H      -6.426179      4.563840      5.451589
  H      -7.161935      4.799867      7.048410
  H      -8.845396      4.982788      5.207897
  H      -9.226915      3.566959      6.241430
  H     -10.890728      4.084824      4.499806
  H     -12.663563      3.248771      2.995535
  H     -10.836200     -0.017163      0.323824
  H      -8.524233     -1.023344      0.130207
  H      -6.722178     -0.203905      1.664188
  N      -5.111117      2.476341      3.521656
  H      -4.847668      3.058334      2.724266
  H      -6.041090      2.077829      3.342236
101
Coordinates from ORCA-job orca E -6430.119832362471
  N      -3.615970      0.212683      5.011921
  Mo     -3.954085      2.170908      5.094973
  N      -5.072577      2.708910      6.625446
  C      -4.408878      3.004794      7.889336
  C      -3.284533      1.990417      8.098053
  N      -2.480752      1.877193      6.855736
  C      -1.880235      0.530189      6.689584
  C      -2.900645     -0.433379      6.108050
  C      -1.452090      2.940370      6.726623
  C      -1.255330      3.227656      5.232486
  N      -2.522513      3.594698      4.601100
  H      -2.361699     -1.337017      5.762152
  H      -3.608355     -0.780636      6.891078
  H      -1.051791      0.636013      5.975852
  H      -1.464069      0.164682      7.646392
  H      -0.500489      4.029179      5.109331
  H      -0.844489      2.330715      4.737214
  H      -1.833258      3.842025      7.227579
  H      -0.515716      2.642754      7.235160
  H      -5.116394      2.933491      8.734393
  H      -3.998073      4.033641      7.907618
  H      -3.734251      1.005635      8.289312
  H      -2.641031      2.251269      8.958493
  C      -4.216860     -0.744576      4.086585
  C      -3.216794     -1.233905      3.024676
  C      -2.969143     -0.184714      1.959658
  O      -4.125317     -0.227876      1.072371
  C      -4.256643      0.557196     -0.013034
  C      -5.192678      0.127928     -0.951107
  C      -5.445263      0.888793     -2.100815
  N      -4.856022      2.042668     -2.389278
  C      -3.936427      2.487251     -1.487374
  C      -3.292507      3.724831     -1.737518
  C      -2.365704      4.206177     -0.842609
  C      -2.073693      3.438634      0.307379
  N      -2.646682      2.281606      0.587181
  C      -3.574024      1.792396     -0.280197
  C      -2.803188      5.009161      4.842188
  C      -4.028875      5.543839      4.106989
  C      -3.800582      5.764965      2.610105
  O      -4.833813      5.195022      1.767092
  C      -6.096149      5.627417      1.906937
  C      -6.508241      6.698075      2.689731
  C      -7.881374      7.007867      2.767761
  N      -8.851320      6.362188      2.139033
  C      -8.461714      5.324966      1.336447
  C      -9.444647      4.612039      0.608355
  C      -9.057392      3.577050     -0.213703
  C      -7.686153      3.244739     -0.294663
  N      -6.732219      3.875097      0.373115
  C      -7.102226      4.906197      1.176070
  C      -6.527914      2.766290      6.581122
  C      -7.102390      4.136448      6.167657
  C      -8.483185      4.025137      5.541668
  O      -8.330028      3.151268      4.404662
  C      -9.400882      2.785190      3.690749
  C     -10.684762      3.294033      3.821348
  C     -11.698997      2.806646      2.969888
  N     -11.544022      1.870270      2.045054
  C     -10.287327      1.347003      1.918355
  C     -10.050558      0.330518      0.960465
  C      -8.781336     -0.190014      0.826227
  C      -7.748491      0.296464      1.659309
  N      -7.925780      1.237551      2.574716
  C      -9.171170      1.764869      2.707333
  H      -4.613813     -1.609451      4.651339
  H      -5.071085     -0.270893      3.584036
  H      -2.255424     -1.469512      3.509951
  H      -3.570539     -2.164366      2.550403
  H      -2.071738     -0.395306      1.357952
  H      -2.872745      0.816619      2.393577
  H      -5.717806     -0.812308     -0.781051
  H      -6.180609      0.525124     -2.826571
  H      -3.565699      4.265641     -2.644883
  H      -1.859728      5.158962     -1.005586
  H      -1.333602      3.796304      1.030995
  H      -1.914158      5.605729      4.545985
  H      -2.950267      5.227450      5.924033
  H      -4.345413      6.474803      4.597342
  H      -4.848520      4.819865      4.224925
  H      -2.901062      5.228347      2.285093
  H      -3.688946      6.832166      2.356613
  H      -5.797715      7.297493      3.254597
  H      -8.190419      7.845689      3.402779
  H     -10.488335      4.909655      0.718943
  H      -9.788000      3.011916     -0.792804
  H      -7.359231      2.426787     -0.943208
  H      -6.948093      2.462379      7.559314
  H      -6.873989      2.027230      5.844966
  H      -6.428016      4.577584      5.420662
  H      -7.150359      4.830542      7.021675
  H      -8.850758      5.007656      5.203669
  H      -9.224642      3.586738      6.232886
  H     -10.918625      4.070097      4.548578
  H     -12.707370      3.222288      3.070247
  H     -10.889560     -0.011862      0.351672
  H      -8.563281     -0.968635      0.093423
  H      -6.734542     -0.105879      1.572380
  N      -5.133795      2.461282      3.506513
  H      -4.876935      3.037854      2.702988
  H      -6.064669      2.056732      3.340611
101
Coordinates from ORCA-job orca E -6430.120083676587
  N      -3.667998      0.218118      5.009706
  Mo     -3.966813      2.183207      5.073101
  N      -5.060195      2.755385      6.607416
  C      -4.378444      3.058980      7.860065
  C      -3.269918      2.026904      8.071852
  N      -2.481203      1.882136      6.822766
  C      -1.909388      0.521364      6.666189
  C      -2.955111     -0.428632      6.107010
  C      -1.432933      2.923028      6.670347
  C      -1.248657      3.192242      5.171662
  N      -2.515762      3.577850      4.551355
  H      -2.437744     -1.346471      5.767801
  H      -3.661708     -0.751475      6.901007
  H      -1.087540      0.602564      5.941868
  H      -1.489335      0.158831      7.622346
  H      -0.479222      3.976806      5.031540
  H      -0.862116      2.282559      4.680972
  H      -1.789476      3.836563      7.167171
  H      -0.496509      2.611677      7.169900
  H      -5.078243      3.013683      8.713820
  H      -3.948692      4.080747      7.857311
  H      -3.735493      1.053007      8.281398
  H      -2.612798      2.287844      8.921999
  C      -4.283095     -0.734716      4.089378
  C      -3.289585     -1.247936      3.033115
  C      -3.001174     -0.194030      1.984470
  O      -4.150622     -0.189856      1.087580
  C      -4.256528      0.620741      0.018931
  C      -5.199492      0.234971     -0.930617
  C      -5.426361      1.024254     -2.066383
  N      -4.805620      2.167501     -2.330216
  C      -3.879353      2.570552     -1.415856
  C      -3.202837      3.795968     -1.638937
  C      -2.266494      4.234951     -0.732088
  C      -1.997629      3.436650      0.402688
  N      -2.602213      2.289829      0.657626
  C      -3.539936      1.842627     -0.221357
  C      -2.768194      4.999186      4.781579
  C      -3.999309      5.545130      4.063034
  C      -3.796923      5.743909      2.558557
  O      -4.845127      5.165379      1.739354
  C      -6.103227      5.606718      1.890440
  C      -6.499109      6.684794      2.671124
  C      -7.868826      7.007459      2.758994
  N      -8.849780      6.370082      2.138986
  C      -8.475897      5.327820      1.335555
  C      -9.470830      4.625086      0.613968
  C      -9.100554      3.580778     -0.203850
  C      -7.733431      3.232360     -0.290916
  N      -6.768325      3.854706      0.368243
  C      -7.121984      4.892838      1.169469
  C      -6.516848      2.796335      6.582374
  C      -7.113923      4.147677      6.140941
  C      -8.501075      4.000374      5.537736
  O      -8.346383      3.099876      4.421520
  C      -9.415033      2.716697      3.713802
  C     -10.700702      3.222564      3.834030
  C     -11.709569      2.725648      2.981286
  N     -11.546004      1.787672      2.059744
  C     -10.286432      1.268814      1.941388
  C     -10.036868      0.261428      0.977111
  C      -8.763767     -0.250688      0.847210
  C      -7.739098      0.236429      1.689796
  N      -7.928136      1.171350      2.609512
  C      -9.177385      1.690452      2.737924
  H      -4.699300     -1.587970      4.658228
  H      -5.126095     -0.247702      3.580075
  H      -2.340042     -1.519298      3.523422
  H      -3.668380     -2.161949      2.546318
  H      -2.105118     -0.421886      1.387630
  H      -2.878954      0.797085      2.434107
  H      -5.749768     -0.694484     -0.781333
  H      -6.166728      0.693430     -2.802666
  H      -3.458916      4.361927     -2.536026
  H      -1.735246      5.177247     -0.874424
  H      -1.250095      3.759452      1.135289
  H      -1.874954      5.577785      4.461322
  H      -2.891187      5.233181      5.863675
  H      -4.289683      6.488357      4.547386
  H      -4.829773      4.837837      4.207612
  H      -2.903535      5.201800      2.224978
  H      -3.688273      6.807546      2.288853
  H      -5.778568      7.279430      3.228234
  H      -8.164936      7.850366      3.393000
  H     -10.510483      4.934475      0.729901
  H      -9.841747      3.018328     -0.772400
  H      -7.420260      2.403864     -0.932623
  H      -6.920124      2.513581      7.573963
  H      -6.864938      2.034172      5.871175
  H      -6.456628      4.575491      5.371372
  H      -7.158583      4.864787      6.975755
  H      -8.888519      4.968140      5.179504
  H      -9.226768      3.567819      6.249203
  H     -10.938873      4.006733      4.550732
  H     -12.719209      3.140598      3.072013
  H     -10.868511     -0.077671      0.356975
  H      -8.536160     -1.021477      0.109249
  H      -6.720878     -0.155778      1.603249
  N      -5.150081      2.477466      3.488686
  H      -4.892482      3.051017      2.684024
  H      -6.076430      2.064625      3.319546
101
Coordinates from ORCA-job orca E -6430.119960501842
  N      -3.617692      0.209653      5.027098
  Mo     -3.950162      2.168778      5.105381
  N      -5.060496      2.712235      6.639869
  C      -4.388677      3.012385      7.898443
  C      -3.265601      1.995259      8.104474
  N      -2.467209      1.877014      6.859100
  C      -1.870934      0.528020      6.694384
  C      -2.897824     -0.434393      6.121524
  C      -1.437542      2.937656      6.721088
  C      -1.250022      3.222242      5.225887
  N      -2.520893      3.590013      4.600399
  H      -2.363666     -1.339878      5.776914
  H      -3.602531     -0.775496      6.909100
  H      -1.046228      0.627944      5.975651
  H      -1.450175      0.164430      7.649932
  H      -0.495010      4.020629      5.096491
  H      -0.844247      2.324312      4.730893
  H      -1.814588      3.840548      7.221201
  H      -0.498345      2.639890      7.224649
  H      -5.091918      2.947814      8.749207
  H      -3.974673      4.041314      7.908756
  H      -3.716377      1.011236      8.298534
  H      -2.618387      2.256226      8.961869
  C      -4.214665     -0.749034      4.098722
  C      -3.219265     -1.233406      3.028735
  C      -2.963078     -0.177376      1.972507
  O      -4.126843     -0.195373      1.095229
  C      -4.254573      0.587854      0.007786
  C      -5.214561      0.174134     -0.912386
  C      -5.464885      0.931152     -2.065788
  N      -4.849796      2.066047     -2.375505
  C      -3.909160      2.497500     -1.489568
  C      -3.240693      3.717812     -1.760406
  C      -2.292584      4.187802     -0.882018
  C      -2.004268      3.426073      0.272797
  N      -2.598704      2.283856      0.570723
  C      -3.547561      1.806339     -0.279590
  C      -2.799571      5.007832      4.831032
  C      -4.038248      5.537450      4.112197
  C      -3.834612      5.746368      2.609672
  O      -4.881592      5.173689      1.783196
  C      -6.135299      5.637956      1.906055
  C      -6.526561      6.734762      2.663365
  C      -7.891393      7.085382      2.718797
  N      -8.871293      6.461653      2.083890
  C      -8.500475      5.404971      1.297678
  C      -9.493494      4.718245      0.558405
  C      -9.128511      3.654419     -0.235835
  C      -7.768153      3.275627     -0.286921
  N      -6.804087      3.884460      0.386374
  C      -7.152485      4.938525      1.168265
  C      -6.517119      2.746785      6.610949
  C      -7.117559      4.101841      6.184704
  C      -8.501469      3.960727      5.573373
  O      -8.344608      3.064102      4.454446
  C      -9.407153      2.711970      3.722061
  C     -10.675386      3.267148      3.801505
  C     -11.673285      2.813509      2.912478
  N     -11.513515      1.878325      1.987572
  C     -10.271489      1.312539      1.907581
  C     -10.021659      0.318414      0.929893
  C      -8.763659     -0.238492      0.835852
  C      -7.755817      0.190943      1.728168
  N      -7.945664      1.114628      2.659135
  C      -9.177275      1.680503      2.749757
  H      -4.605449     -1.618362      4.662866
  H      -5.073061     -0.278541      3.600351
  H      -2.259551     -1.484922      3.508088
  H      -3.584896     -2.154529      2.545182
  H      -2.073324     -0.395461      1.363129
  H      -2.849365      0.818537      2.415028
  H      -5.760330     -0.751960     -0.726302
  H      -6.217270      0.577325     -2.779035
  H      -3.513218      4.256140     -2.669445
  H      -1.768361      5.128166     -1.060141
  H      -1.252695      3.777697      0.987493
  H      -1.915712      5.601930      4.511938
  H      -2.928011      5.239341      5.913202
  H      -4.340741      6.475001      4.599609
  H      -4.861126      4.819728      4.251921
  H      -2.939969      5.206907      2.275426
  H      -3.724123      6.811922      2.346873
  H      -5.806773      7.322623      3.227899
  H      -8.184322      7.941653      3.336741
  H     -10.529336      5.050006      0.649498
  H      -9.870539      3.095299     -0.807452
  H      -7.461460      2.427663     -0.903992
  H      -6.921151      2.451560      7.599292
  H      -6.860075      1.991271      5.889300
  H      -6.459023      4.539990      5.423212
  H      -7.166327      4.807917      7.027779
  H      -8.883693      4.931948      5.217394
  H      -9.231801      3.527039      6.278112
  H     -10.904437      4.063314      4.508136
  H     -12.667487      3.269350      2.969058
  H     -10.838852      0.030091      0.266377
  H      -8.535466     -0.999106      0.087527
  H      -6.749596     -0.234125      1.670351
  N      -5.127515      2.460918      3.516471
  H      -4.868188      3.039244      2.714517
  H      -6.050692      2.046549      3.339725
101
Coordinates from ORCA-job orca E -6430.120212778746
  N      -3.648630      0.204583      5.022990
  Mo     -3.963318      2.167889      5.082793
  N      -5.056335      2.736650      6.619663
  C      -4.372058      3.043340      7.869958
  C      -3.256304      2.019011      8.078438
  N      -2.468794      1.882198      6.828023
  C      -1.884947      0.527075      6.671467
  C      -2.924201     -0.433646      6.118017
  C      -1.431867      2.933412      6.670253
  C      -1.254585      3.200774      5.170307
  N      -2.527199      3.572936      4.552506
  H      -2.399774     -1.346862      5.778227
  H      -3.624283     -0.761008      6.915720
  H      -1.066765      0.613670      5.943649
  H      -1.457619      0.170131      7.626585
  H      -0.492935      3.991706      5.025895
  H      -0.861346      2.293597      4.680835
  H      -1.797222      3.844902      7.164045
  H      -0.490989      2.633469      7.168526
  H      -5.068977      2.995267      8.726268
  H      -3.948054      4.067733      7.865327
  H      -3.713658      1.040652      8.285453
  H      -2.600279      2.283092      8.928494
  C      -4.249013     -0.756679      4.101021
  C      -3.252406     -1.249051      3.036624
  C      -2.970687     -0.186613      1.994539
  O      -4.127930     -0.171780      1.108342
  C      -4.232811      0.634205      0.035888
  C      -5.192249      0.257914     -0.900755
  C      -5.421181      1.045371     -2.037726
  N      -4.786272      2.177097     -2.315563
  C      -3.844493      2.571295     -1.413689
  C      -3.152923      3.785420     -1.651302
  C      -2.200022      4.216196     -0.757757
  C      -1.930741      3.421278      0.379331
  N      -2.548596      2.284119      0.647026
  C      -3.501799      1.845080     -0.218959
  C      -2.789278      4.994900      4.770380
  C      -4.029044      5.528458      4.056525
  C      -3.833059      5.723893      2.550923
  O      -4.882347      5.140905      1.736140
  C      -6.137518      5.594369      1.876644
  C      -6.527467      6.678902      2.651525
  C      -7.893842      7.018111      2.727415
  N      -8.876911      6.392213      2.099447
  C      -8.508563      5.344325      1.300741
  C      -9.506035      4.654382      0.570539
  C      -9.142902      3.602196     -0.240061
  C      -7.780077      3.234766     -0.312672
  N      -6.812285      3.845753      0.353160
  C      -7.158751      4.891034      1.148253
  C      -6.513518      2.771904      6.602709
  C      -7.114626      4.122669      6.164435
  C      -8.504495      3.977474      5.567560
  O      -8.356612      3.077959      4.449771
  C      -9.426783      2.717050      3.732676
  C     -10.703169      3.248044      3.842946
  C     -11.712667      2.777998      2.975727
  N     -11.557587      1.845480      2.047185
  C     -10.307171      1.303325      1.937165
  C     -10.064394      0.306271      0.960555
  C      -8.799440     -0.227877      0.837973
  C      -7.776729      0.226729      1.700529
  N      -7.959887      1.151345      2.631526
  C      -9.199782      1.693443      2.751683
  H      -4.644460     -1.620472      4.668993
  H      -5.104468     -0.285391      3.597845
  H      -2.300391     -1.520029      3.522123
  H      -3.628039     -2.160099      2.541705
  H      -2.080228     -0.411663      1.388679
  H      -2.842688      0.800708      2.451484
  H      -5.755277     -0.662179     -0.740807
  H      -6.174247      0.721114     -2.764124
  H      -3.410735      4.350275     -2.548635
  H      -1.656706      5.149801     -0.911745
  H      -1.173494      3.738988      1.104082
  H      -1.903107      5.576844      4.435916
  H      -2.903915      5.239490      5.851279
  H      -4.320918      6.473046      4.537864
  H      -4.857008      4.819477      4.208320
  H      -2.938694      5.184943      2.215918
  H      -3.728552      6.787343      2.278329
  H      -5.804994      7.265282      3.214742
  H      -8.185242      7.865586      3.357460
  H     -10.542538      4.977761      0.676940
  H      -9.887265      3.045596     -0.810597
  H      -7.473618      2.396165     -0.944231
  H      -6.909273      2.490408      7.597834
  H      -6.864638      2.007817      5.894821
  H      -6.461567      4.549749      5.390888
  H      -7.153970      4.839443      6.999502
  H      -8.891263      4.946769      5.212119
  H      -9.228184      3.545168      6.280912
  H     -10.932531      4.033013      4.561731
  H     -12.714607      3.212649      3.058778
  H     -10.893701     -0.005296      0.323223
  H      -8.577171     -0.990894      0.090437
  H      -6.764620     -0.181189      1.620113
  N      -5.153106      2.448828      3.502215
  H      -4.902139      3.023500      2.696281
  H      -6.079645      2.034623      3.339605
101
Coordinates from ORCA-job orca E -6430.120165085575
  N      -3.694933      0.202435      5.023661
  Mo     -3.973463      2.171954      5.054775
  N      -5.048139      2.780037      6.588332
  C      -4.350769      3.098319      7.828422
  C      -3.251507      2.057913      8.049171
  N      -2.474045      1.884876      6.796792
  C      -1.917832      0.516070      6.659119
  C      -2.978272     -0.432754      6.125595
  C      -1.417383      2.911800      6.615283
  C      -1.249143      3.156055      5.109749
  N      -2.519492      3.549230      4.500499
  H      -2.472842     -1.361106      5.798212
  H      -3.680847     -0.733761      6.931419
  H      -1.101874      0.574648      5.925701
  H      -1.492346      0.165684      7.617661
  H      -0.471899      3.927590      4.948021
  H      -0.881223      2.234267      4.627943
  H      -1.758654      3.837469      7.100244
  H      -0.477955      2.598699      7.108963
  H      -5.042506      3.079364      8.689845
  H      -3.908454      4.114413      7.801462
  H      -3.724882      1.091765      8.275892
  H      -2.585940      2.324891      8.890673
  C      -4.293650     -0.759112      4.101571
  C      -3.290402     -1.262634      3.049290
  C      -2.981662     -0.197825      2.016922
  O      -4.125066     -0.168106      1.114264
  C      -4.218486      0.661917      0.059110
  C      -5.168528      0.307492     -0.895254
  C      -5.384750      1.119805     -2.017525
  N      -4.747625      2.257820     -2.263090
  C      -3.814165      2.630380     -1.343610
  C      -3.119137      3.848914     -1.546664
  C      -2.172177      4.256940     -0.636128
  C      -1.911510      3.434065      0.482913
  N      -2.533190      2.291811      0.718428
  C      -3.481994      1.876076     -0.163408
  C      -2.750022      4.976964      4.714454
  C      -3.992704      5.530915      4.023040
  C      -3.827760      5.723274      2.513206
  O      -4.894634      5.137036      1.724047
  C      -6.145627      5.594928      1.887733
  C      -6.517628      6.683616      2.666284
  C      -7.881648      7.025614      2.769795
  N      -8.878832      6.398311      2.165871
  C      -8.529092      5.345045      1.365660
  C      -9.543186      4.652270      0.661610
  C      -9.199310      3.593725     -0.149092
  C      -7.839618      3.221783     -0.245815
  N      -6.856443      3.836053      0.393497
  C      -7.183403      4.888656      1.186645
  C      -6.505353      2.811682      6.579905
  C      -7.110574      4.146137      6.099610
  C      -8.501959      3.980575      5.511881
  O      -8.355291      3.049675      4.419309
  C      -9.421482      2.684003      3.699382
  C     -10.698868      3.214859      3.800935
  C     -11.705814      2.734767      2.936537
  N     -11.548672      1.791338      2.019699
  C     -10.297964      1.248744      1.918539
  C     -10.054572      0.238080      0.956364
  C      -8.789537     -0.297949      0.842226
  C      -7.767406      0.168504      1.699284
  N      -7.951332      1.106050      2.617648
  C      -9.191490      1.649626      2.729516
  H      -4.700591     -1.617946      4.669618
  H      -5.140505     -0.284205      3.587701
  H      -2.349003     -1.549192      3.545363
  H      -3.672232     -2.166723      2.546502
  H      -2.083563     -0.427439      1.423963
  H      -2.851755      0.786588      2.480718
  H      -5.734770     -0.614777     -0.760445
  H      -6.130770      0.812225     -2.758428
  H      -3.368790      4.435042     -2.432460
  H      -1.625828      5.192832     -0.764302
  H      -1.157544      3.731442      1.219531
  H      -1.859895      5.540505      4.360140
  H      -2.839895      5.229424      5.795569
  H      -4.258001      6.480537      4.508781
  H      -4.828779      4.836854      4.194400
  H      -2.940503      5.184695      2.159047
  H      -3.730901      6.786178      2.235836
  H      -5.782924      7.271465      3.211501
  H      -8.158474      7.876426      3.402598
  H     -10.576753      4.979025      0.787505
  H      -9.956391      3.035689     -0.700820
  H      -7.548541      2.378109     -0.876965
  H      -6.895166      2.562173      7.585825
  H      -6.859287      2.023680      5.899362
  H      -6.462550      4.547163      5.308726
  H      -7.145794      4.889893      6.910511
  H      -8.892164      4.938238      5.129937
  H      -9.222257      3.566887      6.239185
  H     -10.931734      4.005163      4.512955
  H     -12.708536      3.168268      3.013942
  H     -10.883808     -0.082626      0.322930
  H      -8.566996     -1.071814      0.105641
  H      -6.755993     -0.242486      1.626471
  N      -5.162875      2.448027      3.473192
  H      -4.912342      3.019463      2.664086
  H      -6.086329      2.027152      3.311715
101
Coordinates from ORCA-job orca E -6430.120265418203
  N      -3.711966      0.214585      5.021711
  Mo     -3.981733      2.185759      5.058828
  N      -5.051604      2.792369      6.596608
  C      -4.350322      3.104203      7.836209
  C      -3.254251      2.059692      8.051860
  N      -2.479952      1.888166      6.797524
  C      -1.929301      0.517981      6.654014
  C      -2.995099     -0.425298      6.121043
  C      -1.420023      2.912097      6.617461
  C      -1.254267      3.161188      5.112694
  N      -2.524461      3.560614      4.507885
  H      -2.494372     -1.355076      5.790839
  H      -3.696873     -0.724679      6.928145
  H      -1.115357      0.575395      5.918388
  H      -1.502447      0.163335      7.610356
  H      -0.473825      3.930210      4.951470
  H      -0.891505      2.239377      4.626756
  H      -1.756249      3.837417      7.106655
  H      -0.480743      2.593740      7.107512
  H      -5.040265      3.084875      8.698986
  H      -3.904697      4.118941      7.811540
  H      -3.730427      1.094298      8.276309
  H      -2.586212      2.321781      8.893116
  C      -4.311232     -0.744174      4.096813
  C      -3.308346     -1.250495      3.044724
  C      -2.990746     -0.191897      2.008939
  O      -4.130390     -0.158239      1.101683
  C      -4.211950      0.663346      0.039209
  C      -5.164372      0.311829     -0.914071
  C      -5.367801      1.115638     -2.044570
  N      -4.716099      2.242884     -2.299969
  C      -3.779930      2.612410     -1.382212
  C      -3.068858      3.819673     -1.596313
  C      -2.117427      4.224089     -0.688728
  C      -1.868462      3.408602      0.438496
  N      -2.505204      2.276858      0.684315
  C      -3.458983      1.865368     -0.194130
  C      -2.749478      4.988610      4.723760
  C      -3.991658      5.545877      4.033945
  C      -3.824994      5.740145      2.524365
  O      -4.883467      5.143752      1.731657
  C      -6.139312      5.588527      1.892569
  C      -6.525052      6.666581      2.678871
  C      -7.892369      6.996161      2.776997
  N      -8.880444      6.367067      2.160075
  C      -8.517073      5.324573      1.352124
  C      -9.520750      4.632208      0.632838
  C      -9.163272      3.584303     -0.185710
  C      -7.800169      3.221881     -0.274460
  N      -6.826373      3.836560      0.378593
  C      -7.166855      4.879637      1.178988
  C      -6.509336      2.815757      6.598257
  C      -7.125975      4.146642      6.122943
  C      -8.521065      3.972227      5.546971
  O      -8.375399      3.046458      4.450246
  C      -9.444160      2.674396      3.737615
  C     -10.728403      3.183772      3.859545
  C     -11.737656      2.696800      3.001495
  N     -11.575770      1.766932      2.071561
  C     -10.317192      1.247058      1.948916
  C     -10.067287      0.253229      0.970903
  C      -8.794184     -0.257722      0.834396
  C      -7.770156      0.216773      1.684825
  N      -7.960146      1.137987      2.617854
  C      -9.208578      1.656503      2.752267
  H      -4.718590     -1.603218      4.663667
  H      -5.158053     -0.267927      3.583641
  H      -2.368938     -1.541146      3.542939
  H      -3.694480     -2.153055      2.542343
  H      -2.092584     -0.430557      1.419884
  H      -2.855130      0.793200      2.469034
  H      -5.742591     -0.601732     -0.772541
  H      -6.115669      0.809811     -2.784305
  H      -3.309830      4.400441     -2.488114
  H      -1.558848      5.151471     -0.825256
  H      -1.112517      3.703741      1.174029
  H      -1.858293      5.549785      4.367789
  H      -2.836644      5.240804      5.805339
  H      -4.255854      6.495412      4.521339
  H      -4.829015      4.853026      4.204020
  H      -2.931733      5.210588      2.172361
  H      -3.737513      6.803987      2.247652
  H      -5.798633      7.255105      3.234480
  H      -8.180045      7.838334      3.416040
  H     -10.557159      4.951376      0.752715
  H      -9.912052      3.027770     -0.750123
  H      -7.498390      2.385192     -0.910588
  H      -6.889895      2.564083      7.606997
  H      -6.864468      2.025781      5.920920
  H      -6.486231      4.550952      5.326561
  H      -7.159356      4.890674      6.933908
  H      -8.922559      4.928043      5.172178
  H      -9.231939      3.549474      6.278690
  H     -10.965794      3.961481      4.583698
  H     -12.746456      3.112751      3.095643
  H     -10.898239     -0.075052      0.343802
  H      -8.566764     -1.017899      0.085362
  H      -6.751845     -0.173223      1.593895
  N      -5.171783      2.470236      3.479612
  H      -4.924692      3.050529      2.676369
  H      -6.094293      2.047826      3.315373
101
Coordinates from ORCA-job orca E -6430.120219686594
  N      -3.667321      0.183590      5.033869
  Mo     -3.977741      2.148411      5.076954
  N      -5.048214      2.737618      6.623155
  C      -4.345071      3.050590      7.861300
  C      -3.230500      2.024578      8.063689
  N      -2.458952      1.876667      6.804988
  C      -1.879915      0.519056      6.654077
  C      -2.929411     -0.444985      6.125768
  C      -1.424202      2.925619      6.622646
  C      -1.269399      3.179350      5.117254
  N      -2.550799      3.547521      4.514760
  H      -2.412574     -1.363700      5.789181
  H      -3.619305     -0.760249      6.936967
  H      -1.072035      0.595171      5.913560
  H      -1.439681      0.170925      7.606887
  H      -0.508706      3.967344      4.953769
  H      -0.885216      2.266808      4.629977
  H      -1.781578      3.842852      7.112122
  H      -0.476190      2.629779      7.110495
  H      -5.030079      3.013403      8.727569
  H      -3.917075      4.072955      7.842660
  H      -3.687710      1.048656      8.281426
  H      -2.564008      2.291964      8.904540
  C      -4.255001     -0.782873      4.109595
  C      -3.254717     -1.258674      3.041585
  C      -2.958367     -0.180060      2.019690
  O      -4.115560     -0.128876      1.136054
  C      -4.204105      0.695395      0.075749
  C      -5.175717      0.357764     -0.862919
  C      -5.387258      1.166734     -1.988599
  N      -4.724264      2.285117     -2.253298
  C      -3.771091      2.642508     -1.348275
  C      -3.050261      3.842378     -1.570293
  C      -2.084238      4.236484     -0.673685
  C      -1.830783      3.418302      0.450507
  N      -2.474908      2.291990      0.702615
  C      -3.442855      1.890825     -0.164965
  C      -2.803967      4.974043      4.709153
  C      -4.053620      5.501489      4.007968
  C      -3.876840      5.688623      2.498578
  O      -4.930320      5.093193      1.698570
  C      -6.184290      5.550910      1.838029
  C      -6.570448      6.637943      2.611926
  C      -7.935358      6.982384      2.688026
  N      -8.920486      6.360068      2.059796
  C      -8.555955      5.310293      1.261768
  C      -9.556245      4.625059      0.531021
  C      -9.198283      3.568975     -0.276857
  C      -7.837718      3.194238     -0.346692
  N      -6.866972      3.801426      0.317975
  C      -7.208107      4.850204      1.110885
  C      -6.505361      2.777653      6.628421
  C      -7.103613      4.124672      6.176213
  C      -8.498307      3.979280      5.591846
  O      -8.360567      3.064842      4.484968
  C      -9.431026      2.721431      3.759941
  C     -10.699795      3.272994      3.859879
  C     -11.708649      2.820361      2.983197
  N     -11.559757      1.888023      2.053152
  C     -10.317044      1.327325      1.951999
  C     -10.079767      0.333049      0.971372
  C      -8.821778     -0.219742      0.857546
  C      -7.800635      0.214339      1.732403
  N      -7.978656      1.136975      2.666334
  C      -9.211294      1.697008      2.778147
  H      -4.634304     -1.655570      4.674969
  H      -5.118970     -0.323565      3.610309
  H      -2.307826     -1.545014      3.527127
  H      -3.634440     -2.157876      2.528804
  H      -2.070879     -0.407471      1.409628
  H      -2.814113      0.797062      2.495257
  H      -5.763193     -0.548650     -0.713805
  H      -6.149824      0.871238     -2.717486
  H      -3.296178      4.426765     -2.458407
  H      -1.518425      5.158454     -0.816131
  H      -1.065583      3.707186      1.178743
  H      -1.923196      5.546439      4.346130
  H      -2.896286      5.239138      5.786937
  H      -4.337481      6.450046      4.485483
  H      -4.881200      4.796870      4.176707
  H      -2.981478      5.156556      2.155732
  H      -3.784836      6.751063      2.218484
  H      -5.846394      7.221532      3.175953
  H      -8.223679      7.830784      3.318593
  H     -10.591033      4.954247      0.636307
  H      -9.945311      3.013906     -0.845441
  H      -7.536957      2.349766     -0.972992
  H      -6.886299      2.516148      7.634391
  H      -6.871913      2.003166      5.939832
  H      -6.454809      4.535400      5.390071
  H      -7.129765      4.853892      7.000848
  H      -8.881678      4.946139      5.226737
  H      -9.220119      3.559357      6.314441
  H     -10.923039      4.061113      4.577528
  H     -12.703926      3.270828      3.058227
  H     -10.907130      0.039553      0.322810
  H      -8.604138     -0.981254      0.107112
  H      -6.793782     -0.207106      1.659180
  N      -5.190375      2.407416      3.511281
  H      -4.953141      2.974207      2.695135
  H      -6.117847      1.987859      3.366426
101
Coordinates from ORCA-job orca E -6430.120283608007
  N      -3.678728      0.193839      5.031667
  Mo     -3.970813      2.162117      5.062106
  N      -5.048599      2.766060      6.596433
  C      -4.350956      3.084278      7.836629
  C      -3.245218      2.051262      8.054701
  N      -2.466185      1.887467      6.802015
  C      -1.898263      0.524190      6.662105
  C      -2.952664     -0.433841      6.132371
  C      -1.419605      2.925000      6.619348
  C      -1.254682      3.169325      5.113974
  N      -2.529758      3.549335      4.507014
  H      -2.441618     -1.358554      5.804644
  H      -3.650219     -0.738405      6.941167
  H      -1.085405      0.589563      5.926150
  H      -1.466841      0.177716      7.619277
  H      -0.483945      3.948019      4.949967
  H      -0.879683      2.250305      4.632218
  H      -1.769500      3.848208      7.102213
  H      -0.477367      2.622298      7.112737
  H      -5.041748      3.059574      8.698929
  H      -3.915087      4.103411      7.811924
  H      -3.711737      1.080473      8.277200
  H      -2.582250      2.320139      8.898056
  C      -4.264569     -0.774577      4.108268
  C      -3.261724     -1.259669      3.046754
  C      -2.956798     -0.189529      2.020388
  O      -4.111101     -0.136816      1.133461
  C      -4.199531      0.690129      0.076349
  C      -5.174443      0.357627     -0.860532
  C      -5.389454      1.172285     -1.980826
  N      -4.728553      2.292789     -2.241172
  C      -3.771532      2.644812     -1.338185
  C      -3.050918      3.845547     -1.556662
  C      -2.078939      4.232931     -0.663320
  C      -1.819426      3.407118      0.454077
  N      -2.463837      2.280259      0.703098
  C      -3.437390      1.885574     -0.161364
  C      -2.767756      4.977728      4.704619
  C      -4.018693      5.516966      4.013967
  C      -3.855926      5.702678      2.502359
  O      -4.918802      5.106316      1.715745
  C      -6.170021      5.564533      1.874653
  C      -6.543070      6.646907      2.660658
  C      -7.905950      6.993810      2.757278
  N      -8.901063      6.377795      2.138783
  C      -8.549936      5.331873      1.330133
  C      -9.561702      4.654005      0.608410
  C      -9.216994      3.603914     -0.212617
  C      -7.857923      3.225931     -0.302940
  N      -6.877021      3.825614      0.353488
  C      -7.205287      4.869912      1.157895
  C      -6.506401      2.798317      6.594042
  C      -7.109825      4.133590      6.113214
  C      -8.505275      3.973308      5.533456
  O      -8.368985      3.040065      4.441774
  C      -9.441443      2.688002      3.723636
  C     -10.712361      3.233116      3.828688
  C     -11.726594      2.766234      2.965225
  N     -11.580883      1.824985      2.043944
  C     -10.335329      1.270960      1.936949
  C     -10.101782      0.265198      0.966937
  C      -8.841232     -0.279242      0.845413
  C      -7.813552      0.173583      1.702794
  N      -7.988640      1.104615      2.628841
  C      -9.224096      1.656760      2.748210
  H      -4.648622     -1.643324      4.675852
  H      -5.125558     -0.315053      3.603137
  H      -2.317213     -1.548236      3.537722
  H      -3.644576     -2.159243      2.536394
  H      -2.069223     -0.425033      1.414756
  H      -2.808521      0.788118      2.491342
  H      -5.761998     -0.549198     -0.714614
  H      -6.154366      0.880372     -2.708528
  H      -3.301015      4.435588     -2.439970
  H      -1.512365      5.154781     -0.803590
  H      -1.048126      3.689234      1.178782
  H      -1.883434      5.542297      4.336035
  H      -2.850150      5.243018      5.783835
  H      -4.289205      6.468900      4.494754
  H      -4.852083      4.820120      4.190970
  H      -2.964459      5.170751      2.149710
  H      -3.767461      6.765053      2.220428
  H      -5.809895      7.225219      3.218424
  H      -8.183441      7.838891      3.396369
  H     -10.593817      4.985835      0.728494
  H      -9.972553      3.057734     -0.778431
  H      -7.566784      2.386770     -0.941556
  H      -6.890566      2.553691      7.603083
  H      -6.866149      2.008998      5.918978
  H      -6.462531      4.529584      5.317790
  H      -7.137690      4.879983      6.922515
  H      -8.892649      4.932472      5.152378
  H      -9.224722      3.564363      6.265059
  H     -10.934719      4.024358      4.542523
  H     -12.724524      3.210807      3.045577
  H     -10.934442     -0.044532      0.333352
  H      -8.626610     -1.048930      0.102533
  H      -6.803909     -0.240813      1.622573
  N      -5.166543      2.423391      3.484452
  H      -4.920253      2.987848      2.670745
  H      -6.093401      2.006076      3.331247
101
Coordinates from ORCA-job orca E -6430.120271058352
  N      -3.741875      0.211470      5.023131
  Mo     -3.993457      2.185129      5.048063
  N      -5.048663      2.810877      6.588987
  C      -4.335392      3.126952      7.820671
  C      -3.246846      2.074696      8.037210
  N      -2.482371      1.886019      6.779539
  C      -1.946586      0.509124      6.643166
  C      -3.025666     -0.427035      6.123935
  C      -1.414274      2.898051      6.584751
  C      -1.259203      3.136763      5.077053
  N      -2.530826      3.546018      4.481729
  H      -2.536974     -1.364947      5.798745
  H      -3.726031     -0.711722      6.937505
  H      -1.136476      0.551927      5.902079
  H      -1.517624      0.157153      7.599724
  H      -0.472380      3.895996      4.903992
  H      -0.910800      2.208278      4.593266
  H      -1.736707      3.830060      7.070929
  H      -0.473936      2.573150      7.069193
  H      -5.018745      3.119761      8.688794
  H      -3.882132      4.137963      7.785454
  H      -3.730118      1.115470      8.272025
  H      -2.571283      2.336971      8.872200
  C      -4.332529     -0.746356      4.091998
  C      -3.322755     -1.249976      3.045551
  C      -2.986283     -0.185774      2.020977
  O      -4.118932     -0.131510      1.107596
  C      -4.189757      0.705511      0.056347
  C      -5.148797      0.380783     -0.899604
  C      -5.340082      1.200469     -2.020948
  N      -4.671517      2.320513     -2.264159
  C      -3.727656      2.663474     -1.344027
  C      -2.995345      3.860141     -1.546436
  C      -2.033161      4.236340     -0.637906
  C      -1.794355      3.402696      0.478108
  N      -2.450568      2.279646      0.712697
  C      -3.416263      1.897002     -0.165646
  C      -2.737384      4.978282      4.684204
  C      -3.982617      5.540561      4.005131
  C      -3.836649      5.723836      2.491927
  O      -4.905309      5.119524      1.719106
  C      -6.157680      5.573390      1.883150
  C      -6.533057      6.663354      2.658565
  C      -7.898162      7.000908      2.762057
  N      -8.893394      6.368760      2.159804
  C      -8.540348      5.314071      1.363010
  C      -9.552178      4.617914      0.658982
  C      -9.205285      3.557389     -0.147784
  C      -7.845035      3.186066     -0.238876
  N      -6.863842      3.803809      0.399511
  C      -7.193467      4.859926      1.186901
  C      -6.506443      2.832542      6.604211
  C      -7.129343      4.152932      6.108326
  C      -8.526814      3.966263      5.542573
  O      -8.385165      3.022077      4.460799
  C      -9.452247      2.654842      3.743434
  C     -10.735328      3.168568      3.861434
  C     -11.743925      2.683731      3.001795
  N     -11.583152      1.751899      2.073682
  C     -10.325895      1.228839      1.953654
  C     -10.077542      0.233546      0.976889
  C      -8.805543     -0.281164      0.842245
  C      -7.781283      0.191428      1.693421
  N      -7.969845      1.114216      2.625615
  C      -9.217177      1.635966      2.758445
  H      -4.740025     -1.608893      4.654057
  H      -5.177594     -0.271321      3.575239
  H      -2.390830     -1.551456      3.550472
  H      -3.711133     -2.145935      2.533182
  H      -2.086163     -0.430427      1.437075
  H      -2.841811      0.794720      2.489254
  H      -5.742568     -0.524174     -0.767052
  H      -6.093543      0.914714     -2.763145
  H      -3.227987      4.455304     -2.430789
  H      -1.457875      5.154785     -0.765961
  H      -1.029706      3.674593      1.213536
  H      -1.845923      5.526604      4.309963
  H      -2.807786      5.242398      5.763860
  H      -4.233209      6.495152      4.488959
  H      -4.822472      4.855922      4.191546
  H      -2.947557      5.193802      2.130313
  H      -3.755698      6.785744      2.205988
  H      -5.800512      7.255996      3.201300
  H      -8.177576      7.852418      3.392892
  H     -10.586278      4.944409      0.781258
  H      -9.960315      2.997788     -0.700555
  H      -7.552276      2.340648     -0.867024
  H      -6.876830      2.600142      7.621262
  H      -6.867228      2.028468      5.945978
  H      -6.495724      4.543138      5.300981
  H      -7.158236      4.911561      6.905541
  H      -8.931575      4.914834      5.153330
  H      -9.233333      3.554902      6.284548
  H     -10.972565      3.947514      4.584477
  H     -12.751714      3.102191      3.093993
  H     -10.908817     -0.092764      0.348784
  H      -8.579500     -1.042761      0.094018
  H      -6.764261     -0.202188      1.604409
  N      -5.191997      2.465192      3.474523
  H      -4.952370      3.046789      2.669007
  H      -6.115746      2.043250      3.317736
101
Coordinates from ORCA-job orca E -6430.120339969139
  N      -3.716828      0.196973      5.030167
  Mo     -3.986727      2.168350      5.053332
  N      -5.046621      2.789068      6.593677
  C      -4.335569      3.108320      7.825894
  C      -3.238772      2.065137      8.041652
  N      -2.471981      1.884804      6.784035
  C      -1.922401      0.513537      6.647820
  C      -2.992655     -0.433681      6.130433
  C      -1.414538      2.908214      6.588197
  C      -1.261259      3.145987      5.080266
  N      -2.537219      3.540479      4.484230
  H      -2.495546     -1.366985      5.805345
  H      -3.689193     -0.724136      6.945160
  H      -1.113629      0.564057      5.905968
  H      -1.489008      0.166584      7.604146
  H      -0.482319      3.913596      4.905976
  H      -0.902906      2.220489      4.597939
  H      -1.747668      3.837615      7.071756
  H      -0.471253      2.594783      7.073848
  H      -5.019094      3.095369      8.694022
  H      -3.890071      4.122856      7.791793
  H      -3.713844      1.101175      8.274490
  H      -2.566068      2.332124      8.877671
  C      -4.300428     -0.767193      4.101148
  C      -3.291084     -1.256944      3.047792
  C      -2.965586     -0.186218      2.027170
  O      -4.106900     -0.125155      1.124973
  C      -4.183275      0.713362      0.075674
  C      -5.152761      0.395148     -0.871855
  C      -5.352443      1.219454     -1.988178
  N      -4.681817      2.337313     -2.234835
  C      -3.728905      2.674772     -1.322119
  C      -2.996168      3.870647     -1.526982
  C      -2.025920      4.242312     -0.625130
  C      -1.779910      3.405175      0.486812
  N      -2.435998      2.282372      0.723304
  C      -3.409155      1.903963     -0.148687
  C      -2.756248      4.972105      4.677894
  C      -4.005952      5.522195      3.995204
  C      -3.855630      5.703425      2.481909
  O      -4.922495      5.100440      1.705645
  C      -6.173579      5.559352      1.865086
  C      -6.545972      6.647882      2.643528
  C      -7.909225      6.993416      2.741952
  N      -8.905310      6.370584      2.131724
  C      -8.555023      5.318155      1.330951
  C      -9.567971      4.632575      0.618220
  C      -9.224252      3.574836     -0.193457
  C      -7.865559      3.196543     -0.282149
  N      -6.883423      3.803705      0.365113
  C      -7.210202      4.856405      1.158825
  C      -6.504418      2.816878      6.607335
  C      -7.118156      4.142753      6.114649
  C      -8.516619      3.967873      5.547464
  O      -8.381415      3.024367      4.464471
  C      -9.451948      2.668701      3.745862
  C     -10.727652      3.201769      3.857029
  C     -11.739624      2.730051      2.993903
  N     -11.588074      1.794595      2.067693
  C     -10.337907      1.253002      1.954170
  C     -10.098334      0.254600      0.978244
  C      -8.833030     -0.277648      0.849837
  C      -7.806665      0.180656      1.706059
  N      -7.987189      1.105551      2.637419
  C      -9.227598      1.644800      2.764049
  H      -4.693168     -1.635399      4.664371
  H      -5.154781     -0.302537      3.590028
  H      -2.354747     -1.554580      3.547508
  H      -3.675934     -2.152304      2.531848
  H      -2.070891     -0.426714      1.433405
  H      -2.816768      0.790638      2.501150
  H      -5.748412     -0.508141     -0.736981
  H      -6.113505      0.938276     -2.724254
  H      -3.235173      4.469281     -2.407452
  H      -1.450163      5.160073     -0.755044
  H      -1.009982      3.674392      1.217730
  H      -1.869050      5.525315      4.300212
  H      -2.827782      5.241878      5.756337
  H      -4.264096      6.476923      4.475759
  H      -4.842936      4.833152      4.181108
  H      -2.965381      5.173278      2.123581
  H      -3.773211      6.765029      2.195541
  H      -5.812333      7.232605      3.193631
  H      -8.186245      7.843294      3.375501
  H     -10.600321      4.964541      0.738110
  H      -9.980549      3.022401     -0.751941
  H      -7.575914      2.351213     -0.912598
  H      -6.876510      2.584593      7.623675
  H      -6.869163      2.016698      5.947288
  H      -6.479895      4.531189      5.309020
  H      -7.142782      4.899322      6.914241
  H      -8.913002      4.920399      5.159391
  H      -9.227768      3.561328      6.288130
  H     -10.955979      3.986681      4.576327
  H     -12.741336      3.164306      3.079976
  H     -10.930450     -0.059462      0.345515
  H      -8.613800     -1.041737      0.102343
  H      -6.793956     -0.224747      1.620692
  N      -5.190926      2.432404      3.482111
  H      -4.953471      3.004499      2.670129
  H      -6.113837      2.006245      3.329931
101
Coordinates from ORCA-job orca E -6430.120340234108
  N      -3.710733      0.194966      5.030439
  Mo     -3.986250      2.165270      5.057356
  N      -5.049175      2.781115      6.597885
  C      -4.340111      3.098999      7.831654
  C      -3.240814      2.058289      8.045824
  N      -2.472060      1.883123      6.788610
  C      -1.917942      0.513835      6.649818
  C      -2.985133     -0.435626      6.129920
  C      -1.418077      2.910816      6.596068
  C      -1.263392      3.151262      5.088858
  N      -2.540232      3.541354      4.491796
  H      -2.485544     -1.367182      5.803405
  H      -3.681288     -0.729220      6.943896
  H      -1.108858      0.568608      5.908645
  H      -1.484157      0.166227      7.605699
  H      -0.487386      3.922353      4.916551
  H      -0.900546      2.227926      4.605769
  H      -1.755702      3.838256      7.080107
  H      -0.474486      2.600432      7.082954
  H      -5.024418      3.081568      8.699108
  H      -3.897666      4.114934      7.801040
  H      -3.713586      1.092480      8.275700
  H      -2.569795      2.324984      8.883318
  C      -4.291678     -0.768164      4.098832
  C      -3.283800     -1.251014      3.041250
  C      -2.962605     -0.175420      2.024552
  O      -4.109669     -0.106162      1.130679
  C      -4.188137      0.733057      0.082186
  C      -5.171039      0.425168     -0.854764
  C      -5.372640      1.250394     -1.969982
  N      -4.691116      2.359691     -2.225415
  C      -3.725201      2.687264     -1.322827
  C      -2.980162      3.873808     -1.537323
  C      -1.996355      4.235128     -0.646042
  C      -1.749359      3.397047      0.464935
  N      -2.416361      2.282584      0.710118
  C      -3.402926      1.914590     -0.151268
  C      -2.763228      4.972955      4.680624
  C      -4.013726      5.517515      3.994529
  C      -3.861947      5.691958      2.480523
  O      -4.929920      5.088275      1.706226
  C      -6.179617      5.551687      1.863308
  C      -6.548183      6.645054      2.636648
  C      -7.910173      6.995726      2.733542
  N      -8.908452      6.373175      2.126639
  C      -8.561901      5.315769      1.330877
  C      -9.577543      4.629626      0.622502
  C      -9.237758      3.566718     -0.183989
  C      -7.880079      3.184551     -0.272741
  N      -6.895524      3.791854      0.370769
  C      -7.218644      4.848933      1.160306
  C      -6.506796      2.813038      6.608070
  C      -7.115310      4.140519      6.113091
  C      -8.512326      3.969387      5.541405
  O      -8.377243      3.021171      4.462414
  C      -9.446641      2.670409      3.739605
  C     -10.717923      3.215961      3.840273
  C     -11.729121      2.749372      2.973520
  N     -11.580718      1.807932      2.052881
  C     -10.335063      1.253910      1.949773
  C     -10.099065      0.248951      0.979749
  C      -8.838223     -0.296006      0.861567
  C      -7.812753      0.156355      1.721919
  N      -7.989894      1.087489      2.647830
  C      -9.225923      1.639262      2.764451
  H      -4.679579     -1.640020      4.659608
  H      -5.148984     -0.304876      3.591454
  H      -2.345437     -1.549021      3.537325
  H      -3.668529     -2.144936      2.522509
  H      -2.072293     -0.415451      1.424192
  H      -2.807762      0.798569      2.502276
  H      -5.775621     -0.471032     -0.712478
  H      -6.144531      0.977202     -2.697712
  H      -3.220708      4.473670     -2.416509
  H      -1.410838      5.145578     -0.783492
  H      -0.969152      3.658676      1.187635
  H      -1.876976      5.527218      4.302143
  H      -2.836626      5.245558      5.758291
  H      -4.274501      6.473916      4.470577
  H      -4.849763      4.827530      4.182363
  H      -2.972601      5.158429      2.124869
  H      -3.777083      6.752202      2.189788
  H      -5.812414      7.229857      3.183964
  H      -8.184124      7.849656      3.362858
  H     -10.608810      4.964973      0.742008
  H      -9.996312      3.013066     -0.738296
  H      -7.593918      2.335261     -0.899523
  H      -6.881896      2.582286      7.623694
  H      -6.872155      2.013638      5.947323
  H      -6.473264      4.527112      5.309478
  H      -7.140277      4.897459      6.912437
  H      -8.903143      4.922162      5.148126
  H      -9.227874      3.568981      6.281117
  H     -10.942940      4.007326      4.553440
  H     -12.727123      3.193887      3.050931
  H     -10.930141     -0.059660      0.343094
  H      -8.621805     -1.065490      0.118851
  H      -6.803372     -0.259068      1.644208
  N      -5.192607      2.426880      3.487392
  H      -4.956709      2.998238      2.674373
  H      -6.117244      2.003559      3.337882
101
Coordinates from ORCA-job orca E -6430.120358243041
  N      -3.716154      0.193627      5.030627
  Mo     -3.988291      2.164462      5.054571
  N      -5.048779      2.784663      6.595365
  C      -4.337460      3.104069      7.827476
  C      -3.239451      2.062261      8.042559
  N      -2.472601      1.882995      6.784811
  C      -1.921506      0.512324      6.648209
  C      -2.991203     -0.435912      6.131214
  C      -1.416806      2.908218      6.589037
  C      -1.264131      3.145995      5.081288
  N      -2.541422      3.537797      4.486479
  H      -2.493919     -1.369221      5.806566
  H      -3.687467     -0.725969      6.946290
  H      -1.113016      0.563895      5.906163
  H      -1.487604      0.165744      7.604412
  H      -0.486784      3.915131      4.906177
  H      -0.904229      2.221141      4.598880
  H      -1.751750      3.837201      7.072000
  H      -0.473127      2.596735      7.074989
  H      -5.020620      3.089169      8.695952
  H      -3.893783      4.119444      7.794376
  H      -3.713470      1.097743      8.275416
  H      -2.566912      2.329863      8.878567
  C      -4.292474     -0.770248      4.096840
  C      -3.279808     -1.250988      3.042615
  C      -2.954844     -0.175848      2.026701
  O      -4.097273     -0.107803      1.127117
  C      -4.174501      0.735165      0.081737
  C      -5.154671      0.429335     -0.858856
  C      -5.354975      1.258467     -1.971279
  N      -4.675189      2.370115     -2.220689
  C      -3.711648      2.695489     -1.314865
  C      -2.967808      3.883858     -1.523475
  C      -1.985513      4.242635     -0.629458
  C      -1.738953      3.400252      0.478411
  N      -2.405039      2.284083      0.718258
  C      -3.390146      1.918449     -0.145882
  C      -2.760708      4.970199      4.672230
  C      -4.011379      5.515425      3.986992
  C      -3.862252      5.685537      2.472206
  O      -4.932541      5.081046      1.701726
  C      -6.181101      5.547527      1.858827
  C      -6.546578      6.643377      2.630103
  C      -7.907679      6.997402      2.727229
  N      -8.907786      6.376018      2.122174
  C      -8.564230      5.316223      1.328308
  C      -9.581890      4.631404      0.621557
  C      -9.245064      3.566423     -0.183430
  C      -7.888358      3.180664     -0.271973
  N      -6.902062      3.786385      0.370203
  C      -7.222215      4.845734      1.157978
  C      -6.506556      2.816172      6.609614
  C      -7.116767      4.141194      6.110279
  C      -8.515689      3.967776      5.544083
  O      -8.384280      3.015874      4.468018
  C      -9.455444      2.665697      3.747535
  C     -10.727129      3.209490      3.852808
  C     -11.740322      2.742918      2.988335
  N     -11.593326      1.803345      2.065520
  C     -10.347041      1.251656      1.957430
  C     -10.112142      0.249301      0.984410
  C      -8.850515     -0.292675      0.860830
  C      -7.823209      0.160206      1.718698
  N      -7.999284      1.088587      2.647404
  C      -9.236121      1.637112      2.769555
  H      -4.680012     -1.643296      4.656005
  H      -5.149298     -0.308634      3.587112
  H      -2.343159     -1.547591      3.542757
  H      -3.661367     -2.145276      2.522307
  H      -2.061480     -0.415925      1.430895
  H      -2.802468      0.798477      2.504616
  H      -5.758303     -0.468249     -0.721572
  H      -6.124683      0.986703     -2.701839
  H      -3.207760      4.486900     -2.400681
  H      -1.400739      5.154204     -0.762511
  H      -0.959701      3.659728      1.202952
  H      -1.873932      5.521724      4.290981
  H      -2.831772      5.245312      5.749454
  H      -4.269452      6.473620      4.460952
  H      -4.848410      4.827641      4.178302
  H      -2.974228      5.150239      2.116088
  H      -3.776973      6.744889      2.178467
  H      -5.809132      7.227598      3.175730
  H      -8.179211      7.853229      3.354966
  H     -10.612208      4.969641      0.740813
  H     -10.005163      3.013875     -0.736692
  H      -7.604727      2.329571     -0.897571
  H      -6.878320      2.590301      7.627496
  H      -6.874077      2.013503      5.954196
  H      -6.477070      4.523992      5.302904
  H      -7.139351      4.901905      6.906133
  H      -8.907852      4.919099      5.148793
  H      -9.228832      3.569950      6.287617
  H     -10.951254      3.999061      4.568216
  H     -12.738717      3.185804      3.069608
  H     -10.944653     -0.059769      0.349895
  H      -8.634895     -1.060093      0.115754
  H      -6.813094     -0.252336      1.636284
  N      -5.196784      2.423379      3.485737
  H      -4.963166      2.993803      2.671590
  H      -6.121966      2.000289      3.338851
101
Coordinates from ORCA-job orca E -6430.120371596307
  N      -3.733660      0.192560      5.029611
  Mo     -3.995271      2.164663      5.045761
  N      -5.047911      2.796706      6.587317
  C      -4.330293      3.119810      7.814862
  C      -3.236482      2.073822      8.031975
  N      -2.475181      1.883291      6.772539
  C      -1.933014      0.508519      6.641149
  C      -3.010386     -0.435432      6.132281
  C      -1.413946      2.901021      6.568032
  C      -1.266944      3.131937      5.058646
  N      -2.545050      3.529560      4.469629
  H      -2.520322     -1.373962      5.812088
  H      -3.706612     -0.715605      6.950721
  H      -1.126569      0.551285      5.896235
  H      -1.498348      0.164008      7.597807
  H      -0.485885      3.895458      4.876465
  H      -0.915231      2.203034      4.577892
  H      -1.740943      3.834154      7.048624
  H      -0.470043      2.585597      7.051192
  H      -5.010093      3.112679      8.686070
  H      -3.882193      4.132981      7.774644
  H      -3.714569      1.113237      8.272560
  H      -2.559434      2.342943      8.863809
  C      -4.304902     -0.771184      4.092770
  C      -3.286076     -1.251475      3.044301
  C      -2.948941     -0.174069      2.034674
  O      -4.084056     -0.097048      1.127293
  C      -4.156060      0.757091      0.090781
  C      -5.140466      0.468468     -0.850901
  C      -5.335371      1.309094     -1.955552
  N      -4.646676      2.417096     -2.196397
  C      -3.678373      2.725446     -1.289898
  C      -2.923539      3.908329     -1.490457
  C      -1.934469      4.249283     -0.596922
  C      -1.692320      3.394433      0.502346
  N      -2.368814      2.282979      0.734789
  C      -3.360998      1.934965     -0.128641
  C      -2.753806      4.963853      4.650557
  C      -4.004614      5.513746      3.969926
  C      -3.863521      5.678176      2.453785
  O      -4.939320      5.072706      1.691641
  C      -6.186177      5.542709      1.852523
  C      -6.545822      6.642749      2.620752
  C      -7.905815      6.999641      2.723314
  N      -8.910055      6.377350      2.126098
  C      -8.572367      5.313520      1.335076
  C      -9.594790      4.627864      0.636075
  C      -9.263891      3.559191     -0.166437
  C      -7.908539      3.169984     -0.259221
  N      -6.917925      3.776144      0.375575
  C      -7.232044      4.839811      1.159983
  C      -6.505773      2.827741      6.608496
  C      -7.118975      4.145750      6.094588
  C      -8.520539      3.965278      5.537228
  O      -8.394440      3.001072      4.471450
  C      -9.467131      2.649948      3.753794
  C     -10.739409      3.191788      3.863025
  C     -11.755032      2.722261      3.003094
  N     -11.610014      1.781516      2.081151
  C     -10.363047      1.232394      1.968605
  C     -10.130171      0.229422      0.995720
  C      -8.867590     -0.309241      0.866616
  C      -7.837406      0.147717      1.718852
  N      -8.011629      1.076240      2.647857
  C      -9.249491      1.621106      2.775624
  H      -4.695316     -1.644815      4.649222
  H      -5.158875     -0.309191      3.578785
  H      -2.354334     -1.552558      3.550615
  H      -3.666464     -2.142880      2.518416
  H      -2.052083     -0.416427      1.444906
  H      -2.794600      0.797848      2.517268
  H      -5.752156     -0.424664     -0.720158
  H      -6.108702      1.050410     -2.687048
  H      -3.160280      4.521204     -2.361698
  H      -1.340983      5.156086     -0.724029
  H      -0.907916      3.639867      1.226205
  H      -1.865612      5.508494      4.263074
  H      -2.818200      5.242888      5.727138
  H      -4.255034      6.474720      4.441963
  H      -4.843825      4.830953      4.168445
  H      -2.978540      5.140109      2.094229
  H      -3.778253      6.736299      2.155767
  H      -5.804759      7.228127      3.160031
  H      -8.172712      7.858646      3.348828
  H     -10.623840      4.968855      0.758769
  H     -10.027581      3.006127     -0.714071
  H      -7.630165      2.315405     -0.882342
  H      -6.872100      2.615391      7.631152
  H      -6.876687      2.016046      5.966135
  H      -6.483315      4.518213      5.279341
  H      -7.137955      4.916673      6.880582
  H      -8.914690      4.911745      5.132564
  H      -9.230107      3.576218      6.288784
  H     -10.962649      3.981169      4.578987
  H     -12.754007      3.162938      3.088161
  H     -10.964948     -0.082708      0.365582
  H      -8.653448     -1.077005      0.121403
  H      -6.826527     -0.261916      1.631274
  N      -5.210053      2.417444      3.480539
  H      -4.981809      2.985458      2.663123
  H      -6.131904      1.986334      3.336067
101
Coordinates from ORCA-job orca E -6430.120386365245
  N      -3.746950      0.193436      5.023261
  Mo     -4.002492      2.165967      5.039424
  N      -5.049923      2.802476      6.583317
  C      -4.328138      3.124861      7.808728
  C      -3.236480      2.076362      8.024154
  N      -2.479145      1.881799      6.762989
  C      -1.942501      0.504761      6.631637
  C      -3.025312     -0.435176      6.126791
  C      -1.414977      2.895898      6.555593
  C      -1.271138      3.125399      5.045892
  N      -2.550402      3.525454      4.461194
  H      -2.540812     -1.377211      5.808673
  H      -3.721748     -0.708996      6.947089
  H      -1.137887      0.543749      5.884530
  H      -1.506925      0.159606      7.587660
  H      -0.489133      3.887199      4.860680
  H      -0.922677      2.195461      4.564631
  H      -1.738150      3.830419      7.036137
  H      -0.471109      2.577806      7.037050
  H      -5.005636      3.119228      8.681753
  H      -3.878237      4.137149      7.767073
  H      -3.716708      1.117694      8.268048
  H      -2.556240      2.344986      8.853553
  C      -4.313727     -0.768386      4.081729
  C      -3.289199     -1.247547      3.038211
  C      -2.941354     -0.169013      2.033502
  O      -4.069505     -0.083519      1.119009
  C      -4.135741      0.781226      0.091262
  C      -5.123910      0.510283     -0.851843
  C      -5.310692      1.360926     -1.949972
  N      -4.610886      2.463540     -2.183212
  C      -3.638736      2.754740     -1.275353
  C      -2.870839      3.930463     -1.468754
  C      -1.875716      4.253145     -0.575101
  C      -1.641204      3.387381      0.517317
  N      -2.330009      2.282239      0.743291
  C      -3.328285      1.952044     -0.120380
  C      -2.753435      4.961136      4.634892
  C      -4.004572      5.509679      3.954039
  C      -3.867114      5.660662      2.436229
  O      -4.948637      5.055259      1.682086
  C      -6.192942      5.531653      1.843508
  C      -6.545456      6.639757      2.603373
  C      -7.903737      7.002466      2.708095
  N      -8.912531      6.378511      2.120316
  C      -8.581765      5.306971      1.336821
  C      -9.609243      4.619279      0.647220
  C      -9.285054      3.543289     -0.148254
  C      -7.931337      3.148754     -0.243054
  N      -6.936325      3.756206      0.383222
  C      -7.243855      4.827085      1.160508
  C      -6.507798      2.836460      6.610011
  C      -7.120923      4.151168      6.088012
  C      -8.524375      3.968114      5.536445
  O      -8.403181      2.993656      4.479536
  C      -9.477678      2.641740      3.764925
  C     -10.749228      3.185303      3.874788
  C     -11.767151      2.713203      3.019067
  N     -11.624874      1.768668      2.100433
  C     -10.378431      1.218528      1.986887
  C     -10.148168      0.212395      1.016605
  C      -8.885789     -0.326545      0.885769
  C      -7.853347      0.133612      1.733496
  N      -8.025089      1.064780      2.660264
  C      -9.262794      1.609553      2.789859
  H      -4.706982     -1.643190      4.634291
  H      -5.164946     -0.304852      3.564707
  H      -2.361442     -1.551263      3.550342
  H      -3.667519     -2.137033      2.507770
  H      -2.041677     -0.414573      1.449333
  H      -2.784065      0.800771      2.519693
  H      -5.744833     -0.377297     -0.727120
  H      -6.087054      1.115573     -2.682824
  H      -3.102176      4.551991     -2.335312
  H      -1.271741      5.153693     -0.697072
  H      -0.852127      3.618707      1.240725
  H      -1.864474      5.501009      4.242827
  H      -2.814951      5.245197      5.710334
  H      -4.251205      6.475000      4.418995
  H      -4.844754      4.830435      4.160502
  H      -2.986554      5.114225      2.078432
  H      -3.776480      6.715730      2.129221
  H      -5.800131      7.227136      3.134544
  H      -8.165099      7.867815      3.327128
  H     -10.636583      4.964874      0.771011
  H     -10.052612      2.988303     -0.688463
  H      -7.658677      2.288149     -0.860571
  H      -6.870030      2.633146      7.635857
  H      -6.883166      2.020108      5.976250
  H      -6.487016      4.517235      5.268461
  H      -7.137186      4.928014      6.868326
  H      -8.917692      4.911393      5.123664
  H      -9.232638      3.587962      6.293825
  H     -10.970299      3.977593      4.588212
  H     -12.765665      3.154723      3.104930
  H     -10.984571     -0.101651      0.389610
  H      -8.673510     -1.096673      0.142493
  H      -6.842403     -0.275423      1.643268
  N      -5.226082      2.414944      3.480005
  H      -5.005576      2.983200      2.660597
  H      -6.149935      1.985455      3.343204
101
Coordinates from ORCA-job orca E -6430.120409365946
  N      -3.766744      0.197119      5.011846
  Mo     -4.011294      2.170688      5.024569
  N      -5.050289      2.816324      6.570616
  C      -4.322163      3.138799      7.792449
  C      -3.234215      2.086111      8.006886
  N      -2.482875      1.883611      6.743310
  C      -1.955315      0.502760      6.613463
  C      -3.047144     -0.431240      6.117023
  C      -1.413567      2.891102      6.529761
  C      -1.274620      3.116359      5.019131
  N      -2.555195      3.520290      4.440219
  H      -2.571881     -1.379363      5.803369
  H      -3.743348     -0.693613      6.941163
  H      -1.154380      0.534643      5.862042
  H      -1.517380      0.157721      7.568453
  H      -0.490710      3.874883      4.828566
  H      -0.931722      2.184043      4.538380
  H      -1.730107      3.828565      7.008997
  H      -0.469875      2.568886      7.008704
  H      -4.996256      3.138000      8.668079
  H      -3.868409      4.149101      7.746455
  H      -3.718006      1.130750      8.256627
  H      -2.549162      2.354584      8.832376
  C      -4.334714     -0.763100      4.069471
  C      -3.308162     -1.250058      3.031816
  C      -2.938369     -0.170747      2.036166
  O      -4.058692     -0.060554      1.115295
  C      -4.111586      0.822475      0.102629
  C      -5.109197      0.587505     -0.840222
  C      -5.280638      1.457107     -1.925689
  N      -4.556938      2.546660     -2.146849
  C      -3.575524      2.803331     -1.238832
  C      -2.781103      3.963360     -1.420296
  C      -1.774432      4.250628     -0.527442
  C      -1.556049      3.365475      0.552765
  N      -2.269595      2.273949      0.767553
  C      -3.279052      1.978072     -0.095802
  C      -2.749186      4.958178      4.603976
  C      -4.002144      5.506428      3.926321
  C      -3.872847      5.640524      2.406215
  O      -4.963240      5.035984      1.664269
  C      -6.203828      5.520235      1.829668
  C      -6.545224      6.639261      2.578417
  C      -7.901112      7.008883      2.689802
  N      -8.917370      6.381510      2.118634
  C      -8.597564      5.299144      1.345529
  C      -9.633438      4.606638      0.673426
  C      -9.319971      3.519862     -0.111707
  C      -7.968441      3.119343     -0.213231
  N      -6.966082      3.730670      0.396924
  C      -7.263096      4.812070      1.163680
  C      -6.508303      2.849280      6.605065
  C      -7.126190      4.157276      6.072355
  C      -8.532314      3.966226      5.530271
  O      -8.415811      2.979551      4.484152
  C      -9.492935      2.622602      3.775902
  C     -10.764649      3.165421      3.888308
  C     -11.785658      2.687535      3.039590
  N     -11.646130      1.738343      2.125211
  C     -10.399403      1.189384      2.008833
  C     -10.171915      0.178949      1.042271
  C      -8.908901     -0.357756      0.907476
  C      -7.873184      0.109017      1.747451
  N      -8.042387      1.043728      2.671228
  C      -9.280745      1.586114      2.804790
  H      -4.736070     -1.634631      4.621289
  H      -5.180375     -0.294601      3.548082
  H      -2.387983     -1.566930      3.549812
  H      -3.692257     -2.132801      2.494421
  H      -2.038500     -0.426205      1.456517
  H      -2.767594      0.792657      2.530348
  H      -5.749971     -0.287157     -0.724618
  H      -6.064972      1.239408     -2.658720
  H      -3.001617      4.601002     -2.277938
  H      -1.149720      5.138066     -0.640729
  H      -0.758903      3.569498      1.275469
  H      -1.859925      5.490633      4.202786
  H      -2.803062      5.249831      5.677807
  H      -4.241371      6.477605      4.382835
  H      -4.843908      4.833082      4.145394
  H      -2.998969      5.083095      2.048809
  H      -3.775594      6.691580      2.087755
  H      -5.792881      7.230049      3.095826
  H      -8.153805      7.883008      3.299996
  H     -10.658401      4.957519      0.801687
  H     -10.094012      2.961044     -0.638493
  H      -7.704321      2.249666     -0.821984
  H      -6.864092      2.657342      7.635239
  H      -6.886953      2.025233      5.983332
  H      -6.497173      4.516556      5.246017
  H      -7.140181      4.941997      6.844917
  H      -8.928502      4.903995      5.107861
  H      -9.236373      3.595013      6.296020
  H     -10.983508      3.961289      4.598414
  H     -12.784368      3.128233      3.127471
  H     -11.010808     -0.140109      0.421200
  H      -8.698665     -1.131088      0.166945
  H      -6.861417     -0.297179      1.652371
  N      -5.246569      2.412926      3.473087
  H      -5.033812      2.976265      2.648242
  H      -6.171793      1.983107      3.346513
101
Coordinates from ORCA-job orca E -6430.120443718365
  N      -3.791823      0.208617      4.990278
  Mo     -4.021018      2.183657      5.001064
  N      -5.049261      2.838504      6.550206
  C      -4.313712      3.158877      7.768425
  C      -3.230598      2.100343      7.980375
  N      -2.486887      1.889552      6.713465
  C      -1.971579      0.503832      6.583369
  C      -3.075461     -0.421103      6.096900
  C      -1.410351      2.888261      6.494028
  C      -1.276923      3.110850      4.982574
  N      -2.558598      3.520650      4.410637
  H      -2.612752     -1.377041      5.788309
  H      -3.771400     -0.669111      6.925653
  H      -1.175811      0.527319      5.826119
  H      -1.530325      0.157317      7.536294
  H      -0.490602      3.865673      4.787213
  H      -0.940716      2.176432      4.501059
  H      -1.718009      3.828673      6.973334
  H      -0.467270      2.559232      6.969420
  H      -4.983897      3.163417      8.646876
  H      -3.854541      4.166378      7.718286
  H      -3.718906      1.148978      8.236333
  H      -2.539404      2.367449      8.801165
  C      -4.371727     -0.748947      4.052450
  C      -3.349161     -1.259849      3.022661
  C      -2.945912     -0.187187      2.033191
  O      -4.054494     -0.044511      1.102723
  C      -4.086364      0.862567      0.110619
  C      -5.090677      0.674544     -0.835673
  C      -5.237290      1.568696     -1.904497
  N      -4.482327      2.640752     -2.106284
  C      -3.494914      2.852973     -1.193659
  C      -2.667284      3.992863     -1.354683
  C      -1.653428      4.235707     -0.456777
  C      -1.462580      3.326776      0.608852
  N      -2.206828      2.252360      0.804125
  C      -3.222886      1.999105     -0.065235
  C      -2.743628      4.960404      4.568373
  C      -3.999485      5.509254      3.896532
  C      -3.879216      5.629470      2.374568
  O      -4.978232      5.027381      1.643391
  C      -6.216665      5.513151      1.818154
  C      -6.550422      6.639684      2.558881
  C      -7.905571      7.008354      2.682446
  N      -8.927737      6.373100      2.130561
  C      -8.615553      5.283556      1.364409
  C      -9.657820      4.581758      0.711900
  C      -9.351307      3.487668     -0.066050
  C      -8.000092      3.089007     -0.179507
  N      -6.992271      3.708935      0.412295
  C      -7.282549      4.797357      1.171430
  C      -6.507369      2.867723      6.593596
  C      -7.133301      4.168769      6.054053
  C      -8.542151      3.966973      5.522755
  O      -8.428583      2.969988      4.486063
  C      -9.508894      2.601635      3.788533
  C     -10.782628      3.138775      3.905825
  C     -11.806873      2.649174      3.067844
  N     -11.668634      1.693919      2.159462
  C     -10.419906      1.150505      2.038412
  C     -10.193542      0.134618      1.077206
  C      -8.928089     -0.395023      0.936273
  C      -7.888861      0.084316      1.764674
  N      -8.057125      1.023773      2.683982
  C      -9.297877      1.559181      2.823476
  H      -4.791128     -1.609316      4.608271
  H      -5.206336     -0.268569      3.524500
  H      -2.440353     -1.598075      3.547343
  H      -3.748034     -2.133620      2.481443
  H      -2.047152     -0.461754      1.460470
  H      -2.754150      0.768889      2.533526
  H      -5.756799     -0.182939     -0.734638
  H      -6.027995      1.387746     -2.640530
  H      -2.869174      4.650694     -2.201596
  H      -1.003410      5.106655     -0.554597
  H      -0.661850      3.497135      1.336149
  H      -1.854586      5.486670      4.158885
  H      -2.789185      5.256784      5.641240
  H      -4.231731      6.484945      4.346828
  H      -4.841648      4.840400      4.127728
  H      -3.012377      5.061120      2.016835
  H      -3.774706      6.676906      2.046630
  H      -5.792373      7.236917      3.060482
  H      -8.152454      7.888575      3.286197
  H     -10.682012      4.931637      0.848667
  H     -10.130209      2.921846     -0.577943
  H      -7.740757      2.213101     -0.781783
  H      -6.855735      2.684009      7.627711
  H      -6.887909      2.036811      5.982210
  H      -6.511055      4.525055      5.221270
  H      -7.146600      4.959284      6.820824
  H      -8.944472      4.898609      5.092655
  H      -9.239862      3.601619      6.297106
  H     -11.000437      3.939078      4.611273
  H     -12.807283      3.085290      3.159271
  H     -11.035108     -0.194053      0.464855
  H      -8.718562     -1.172193      0.199567
  H      -6.874760     -0.314712      1.662533
  N      -5.269594      2.421185      3.459149
  H      -5.065176      2.978883      2.628259
  H      -6.194137      1.986988      3.342328
101
Coordinates from ORCA-job orca E -6430.120489532456
  N      -3.815522      0.226262      4.965465
  Mo     -4.027883      2.203320      4.971708
  N      -5.042383      2.867417      6.524633
  C      -4.297626      3.187028      7.737661
  C      -3.218289      2.123439      7.946438
  N      -2.484787      1.903555      6.674780
  C      -1.982212      0.513044      6.544468
  C      -3.098889     -0.403588      6.071939
  C      -1.401265      2.892984      6.445783
  C      -1.277156      3.112709      4.932953
  N      -2.560585      3.528611      4.370392
  H      -2.648661     -1.366969      5.768005
  H      -3.791894     -0.637471      6.907331
  H      -1.193874      0.527101      5.779234
  H      -1.534727      0.166038      7.494242
  H      -0.488094      3.863129      4.730748
  H      -0.949944      2.175794      4.450172
  H      -1.698174      3.836511      6.925558
  H      -0.457703      2.557000      6.914885
  H      -4.962407      3.198909      8.619936
  H      -3.832840      4.191432      7.680622
  H      -3.709663      1.175864      8.210512
  H      -2.519536      2.390575      8.760803
  C      -4.418501     -0.730908      4.042008
  C      -3.408399     -1.284185      3.022039
  C      -2.962258     -0.229042      2.032787
  O      -4.056924     -0.049809      1.091516
  C      -4.064277      0.883426      0.123194
  C      -5.074049      0.747763     -0.826199
  C      -5.194684      1.670697     -1.873407
  N      -4.407869      2.724220     -2.051046
  C      -3.416105      2.887443     -1.133402
  C      -2.556825      4.007570     -1.267110
  C      -1.540132      4.203659     -0.361089
  C      -1.378493      3.267216      0.685329
  N      -2.150998      2.208422      0.853320
  C      -3.170132      2.000505     -0.024398
  C      -2.740317      4.969295      4.529610
  C      -4.000804      5.520083      3.867004
  C      -3.890028      5.637472      2.343906
  O      -4.994733      5.037512      1.619409
  C      -6.233377      5.515518      1.811004
  C      -6.564591      6.640238      2.555279
  C      -7.920697      6.998854      2.697246
  N      -8.946061      6.355771      2.160201
  C      -8.636772      5.268339      1.389906
  C      -9.682236      4.558125      0.751546
  C      -9.377896      3.465715     -0.029903
  C      -8.025213      3.076839     -0.160679
  N      -7.014759      3.705326      0.417526
  C      -7.303090      4.792153      1.179183
  C      -6.500478      2.883602      6.579770
  C      -7.142094      4.175926      6.038550
  C      -8.553123      3.957655      5.519209
  O      -8.438183      2.956943      4.486073
  C      -9.520299      2.576817      3.798021
  C     -10.796752      3.105959      3.921214
  C     -11.822654      2.607535      3.090424
  N     -11.683505      1.651237      2.183416
  C     -10.432184      1.114889      2.056928
  C     -10.204689      0.098724      1.096252
  C      -8.936775     -0.423037      0.948932
  C      -7.895846      0.064399      1.770353
  N      -8.065201      1.004214      2.689278
  C      -9.308419      1.532288      2.834895
  H      -4.863707     -1.569899      4.610117
  H      -5.237558     -0.235063      3.504288
  H      -2.514731     -1.651882      3.553314
  H      -3.833282     -2.146670      2.482149
  H      -2.067827     -0.532473      1.468032
  H      -2.743030      0.719497      2.534897
  H      -5.766769     -0.090393     -0.742527
  H      -5.991887      1.532069     -2.611446
  H      -2.739177      4.688917     -2.099769
  H      -0.866860      5.058917     -0.437707
  H      -0.577905      3.401805      1.420104
  H      -1.852826      5.493304      4.113511
  H      -2.777281      5.266278      5.602690
  H      -4.227781      6.497099      4.317657
  H      -4.842305      4.852841      4.106541
  H      -3.027091      5.065451      1.982151
  H      -3.783541      6.684120      2.013837
  H      -5.803237      7.243105      3.045259
  H      -8.165690      7.877701      3.303559
  H     -10.707221      4.900218      0.901263
  H     -10.159337      2.894200     -0.531651
  H      -7.765773      2.202289     -0.765396
  H      -6.839034      2.702486      7.617637
  H      -6.878600      2.045982      5.976033
  H      -6.529771      4.534451      5.199235
  H      -7.157715      4.969767      6.801921
  H      -8.968144      4.883217      5.087880
  H      -9.240848      3.588947      6.300902
  H     -11.015131      3.907162      4.625341
  H     -12.825333      3.037816      3.185988
  H     -11.047492     -0.236540      0.489366
  H      -8.726515     -1.200373      0.212676
  H      -6.879523     -0.327973      1.662509
  N      -5.287636      2.438508      3.438389
  H      -5.094518      2.997863      2.606129
  H      -6.209589      1.996815      3.330609
101
Coordinates from ORCA-job orca E -6430.120533640677
  N      -3.830461      0.231313      4.950243
  Mo     -4.033497      2.209701      4.949193
  N      -5.036870      2.883412      6.504733
  C      -4.284039      3.203972      7.712509
  C      -3.206948      2.137689      7.919459
  N      -2.481431      1.910581      6.644315
  C      -1.986153      0.517316      6.515990
  C      -3.110776     -0.396019      6.056264
  C      -1.395526      2.894966      6.405406
  C      -1.280773      3.111166      4.891078
  N      -2.566746      3.528620      4.336165
  H      -2.667782     -1.363932      5.756228
  H      -3.800029     -0.620263      6.897419
  H      -1.203950      0.524054      5.744283
  H      -1.532640      0.172145      7.463605
  H      -0.491394      3.859178      4.681984
  H      -0.959288      2.172493      4.407924
  H      -1.686146      3.840996      6.884001
  H      -0.450215      2.556747      6.869453
  H      -4.943820      3.222683      8.598399
  H      -3.815565      4.206158      7.648633
  H      -3.699427      1.192628      8.190189
  H      -2.502786      2.406035      8.728678
  C      -4.444443     -0.727531      4.035888
  C      -3.441469     -1.306089      3.022960
  C      -2.960654     -0.260905      2.039313
  O      -4.045318     -0.046565      1.093876
  C      -4.036056      0.909559      0.147576
  C      -5.053565      0.818125     -0.798708
  C      -5.159225      1.766657     -1.824449
  N      -4.349153      2.805318     -1.984081
  C      -3.349267      2.926113     -1.068944
  C      -2.465431      4.029203     -1.183468
  C      -1.440259      4.183706     -0.278966
  C      -1.293936      3.221262      0.745696
  N      -2.088107      2.175590      0.893753
  C      -3.117283      2.009543      0.018975
  C      -2.744293      4.970191      4.490941
  C      -4.010117      5.518514      3.836064
  C      -3.910197      5.630013      2.311704
  O      -5.021811      5.030469      1.597252
  C      -6.258327      5.509885      1.798730
  C      -6.582238      6.637345      2.542202
  C      -7.936878      6.997318      2.694845
  N      -8.967406      6.353977      2.167941
  C      -8.665567      5.264231      1.397846
  C      -9.716533      4.554490      0.768074
  C      -9.419510      3.459944     -0.013329
  C      -8.068628      3.067666     -0.151336
  N      -7.053251      3.695770      0.418647
  C      -7.334195      4.785553      1.178462
  C      -6.494715      2.894661      6.569775
  C      -7.142656      4.181366      6.022654
  C      -8.555987      3.955854      5.512743
  O      -8.444116      2.949132      4.485046
  C      -9.528643      2.561962      3.805092
  C     -10.806843      3.085418      3.934678
  C     -11.835532      2.579854      3.111659
  N     -11.697598      1.621777      2.206442
  C     -10.444700      1.090688      2.073955
  C     -10.218291      0.073145      1.114563
  C      -8.948919     -0.443423      0.960956
  C      -7.905405      0.050509      1.775182
  N      -8.073754      0.991896      2.692619
  C      -9.318143      1.515140      2.844076
  H      -4.903752     -1.553847      4.611587
  H      -5.253984     -0.224591      3.490653
  H      -2.561491     -1.698749      3.559048
  H      -3.885701     -2.156397      2.479079
  H      -2.072228     -0.586582      1.477450
  H      -2.717136      0.678523      2.546959
  H      -5.766289     -0.004365     -0.728041
  H      -5.964246      1.663462     -2.559780
  H      -2.637012      4.731846     -2.000566
  H      -0.748408      5.025247     -0.341257
  H      -0.487206      3.322668      1.478910
  H      -1.860250      5.492165      4.064836
  H      -2.772144      5.272124      5.562863
  H      -4.233062      6.497598      4.284235
  H      -4.850409      4.853243      4.085629
  H      -3.050907      5.055252      1.945444
  H      -3.803688      6.675392      1.977472
  H      -5.815949      7.240930      3.023549
  H      -8.176149      7.877954      3.300942
  H     -10.740002      4.898752      0.923752
  H     -10.205538      2.889252     -0.508886
  H      -7.814447      2.190880     -0.754948
  H      -6.825718      2.720854      7.611381
  H      -6.874553      2.051145      5.975074
  H      -6.535937      4.535196      5.177374
  H      -7.155871      4.980232      6.780632
  H      -8.976412      4.877587      5.078340
  H      -9.237727      3.589415      6.300526
  H     -11.024674      3.887125      4.638423
  H     -12.839687      3.005524      3.212356
  H     -11.063213     -0.267584      0.513631
  H      -8.739683     -1.221872      0.225558
  H      -6.888113     -0.338244      1.663444
  N      -5.301840      2.438331      3.421966
  H      -5.118834      2.998330      2.587777
  H      -6.222260      1.991852      3.323391
101
Coordinates from ORCA-job orca E -6430.120531982037
  N      -3.791717      0.215375      4.959710
  Mo     -4.020693      2.192306      4.955059
  N      -5.033337      2.855980      6.509349
  C      -4.285427      3.182048      7.718058
  C      -3.196660      2.128603      7.925026
  N      -2.466009      1.913564      6.650762
  C      -1.949901      0.528421      6.522969
  C      -3.058098     -0.403835      6.061032
  C      -1.396440      2.914814      6.411326
  C      -1.284019      3.134412      4.896652
  N      -2.573822      3.533844      4.337966
  H      -2.595518     -1.360687      5.755205
  H      -3.741931     -0.647373      6.901396
  H      -1.166282      0.545750      5.752749
  H      -1.491768      0.189731      7.470798
  H      -0.504169      3.892243      4.689349
  H      -0.950205      2.200480      4.412896
  H      -1.702564      3.856448      6.888796
  H      -0.445630      2.592092      6.875775
  H      -4.946547      3.195104      8.603421
  H      -3.826847      4.189173      7.655635
  H      -3.676724      1.176105      8.191670
  H      -2.498299      2.404155      8.736651
  C      -4.403493     -0.752816      4.053599
  C      -3.406668     -1.333775      3.034503
  C      -2.927293     -0.295341      2.041260
  O      -4.021807     -0.077579      1.108208
  C      -4.026912      0.886228      0.168451
  C      -5.060643      0.801566     -0.760403
  C      -5.188958      1.762057     -1.772798
  N      -4.383235      2.803354     -1.936947
  C      -3.365365      2.916086     -1.040520
  C      -2.485575      4.021562     -1.159685
  C      -1.443536      4.169031     -0.273353
  C      -1.272217      3.193216      0.734179
  N      -2.060853      2.143190      0.883528
  C      -3.110519      1.988178      0.031862
  C      -2.777802      4.972018      4.496503
  C      -4.047093      5.504432      3.834419
  C      -3.941942      5.622671      2.311027
  O      -5.053206      5.024971      1.593807
  C      -6.287440      5.514548      1.787556
  C      -6.606953      6.643946      2.530618
  C      -7.959194      7.017235      2.673073
  N      -8.991677      6.386639      2.134934
  C      -8.694173      5.294719      1.365932
  C      -9.746723      4.599465      0.723175
  C      -9.454857      3.502389     -0.056551
  C      -8.108222      3.092114     -0.178487
  N      -7.091050      3.706551      0.404100
  C      -7.366113      4.800431      1.159621
  C      -6.491137      2.866596      6.571931
  C      -7.132320      4.163136      6.038390
  C      -8.544845      3.952737      5.520619
  O      -8.435957      2.959054      4.480321
  C      -9.520406      2.584511      3.793975
  C     -10.794598      3.119030      3.917900
  C     -11.823501      2.625626      3.087508
  N     -11.689670      1.669075      2.180552
  C     -10.441447      1.125855      2.054922
  C     -10.219177      0.108200      1.095139
  C      -8.955410     -0.424900      0.951949
  C      -7.913501      0.052522      1.778209
  N      -8.077756      0.995877      2.693689
  C      -9.315556      1.536245      2.833709
  H      -4.855283     -1.579235      4.636054
  H      -5.217428     -0.256446      3.508790
  H      -2.525472     -1.732440      3.563200
  H      -3.863366     -2.180886      2.495515
  H      -2.048767     -0.630367      1.469518
  H      -2.674608      0.645902      2.541282
  H      -5.771938     -0.021619     -0.685391
  H      -6.009048      1.666830     -2.492497
  H      -2.673981      4.733313     -1.965112
  H      -0.754635      5.012785     -0.339808
  H      -0.448815      3.284845      1.450081
  H      -1.900508      5.509404      4.074810
  H      -2.815926      5.273384      5.568155
  H      -4.283761      6.479676      4.283814
  H      -4.882224      4.830423      4.077407
  H      -3.079933      5.053285      1.943809
  H      -3.837248      6.670022      1.982037
  H      -5.838936      7.239127      3.019253
  H      -8.194950      7.898660      3.279776
  H     -10.767805      4.956017      0.868406
  H     -10.243232      2.942523     -0.560955
  H      -7.858604      2.212745     -0.779133
  H      -6.824698      2.680598      7.610928
  H      -6.870664      2.031750      5.964466
  H      -6.520313      4.521473      5.199485
  H      -7.142491      4.952696      6.805435
  H      -8.959084      4.883458      5.099356
  H      -9.230371      3.577012      6.300190
  H     -11.009502      3.919911      4.623578
  H     -12.824076      3.060522      3.183711
  H     -11.063020     -0.219967      0.485549
  H      -8.749742     -1.204110      0.216273
  H      -6.901726     -0.352964      1.681401
  N      -5.274983      2.413797      3.415248
  H      -5.094536      2.983874      2.587312
  H      -6.186119      1.952218      3.307239
101
Coordinates from ORCA-job orca E -6430.120622418419
  N      -3.828523      0.218918      4.952374
  Mo     -4.036293      2.197955      4.937174
  N      -5.033423      2.880441      6.493386
  C      -4.274106      3.209442      7.694597
  C      -3.194022      2.147118      7.902862
  N      -2.474090      1.914365      6.625573
  C      -1.974669      0.522585      6.503581
  C      -3.096957     -0.399764      6.055569
  C      -1.394771      2.901834      6.372947
  C      -1.291422      3.111546      4.856569
  N      -2.581423      3.522998      4.307867
  H      -2.648229     -1.364851      5.755919
  H      -3.779143     -0.626985      6.901627
  H      -1.196573      0.526459      5.727620
  H      -1.513947      0.184979      7.450567
  H      -0.504577      3.859414      4.638611
  H      -0.972183      2.171233      4.374990
  H      -1.686098      3.849712      6.847431
  H      -0.444445      2.570763      6.832135
  H      -4.928855      3.234418      8.584447
  H      -3.807347      4.212134      7.621682
  H      -3.682015      1.201854      8.181011
  H      -2.487308      2.422288      8.707509
  C      -4.435870     -0.746637      4.041049
  C      -3.431390     -1.329076      3.030957
  C      -2.930144     -0.289097      2.050989
  O      -4.007700     -0.054972      1.103429
  C      -3.998076      0.925352      0.181883
  C      -5.029914      0.870776     -0.751261
  C      -5.140464      1.848222     -1.749062
  N      -4.320550      2.880990     -1.893821
  C      -3.303943      2.964191     -0.993021
  C      -2.407083      4.057784     -1.093261
  C      -1.360703      4.171690     -0.206844
  C      -1.202961      3.174483      0.782051
  N      -2.009805      2.136262      0.915770
  C      -3.064216      2.014481      0.064116
  C      -2.763204      4.964312      4.455337
  C      -4.031117      5.507018      3.799918
  C      -3.940262      5.608652      2.274230
  O      -5.061569      5.008631      1.574750
  C      -6.291526      5.505985      1.775338
  C      -6.598594      6.644415      2.509653
  C      -7.947775      7.023947      2.663439
  N      -8.988512      6.390271      2.145209
  C      -8.703583      5.288973      1.385113
  C      -9.766174      4.588226      0.765208
  C      -9.487093      3.481315     -0.005101
  C      -8.142780      3.067116     -0.140544
  N      -7.116719      3.685601      0.421001
  C      -7.379548      4.788878      1.167526
  C      -6.490972      2.888771      6.569546
  C      -7.141497      4.171361      6.014566
  C      -8.556963      3.945170      5.511974
  O      -8.451045      2.933696      4.488338
  C      -9.536987      2.552589      3.807877
  C     -10.813307      3.080469      3.938533
  C     -11.844671      2.579822      3.115701
  N     -11.710930      1.623058      2.208783
  C     -10.459925      1.088034      2.074682
  C     -10.237461      0.072727      1.112266
  C      -8.970667     -0.449859      0.958011
  C      -7.925805      0.035856      1.775592
  N      -8.090085      0.976263      2.694319
  C      -9.331430      1.505826      2.845817
  H      -4.893160     -1.573233      4.618659
  H      -5.244633     -0.248018      3.490640
  H      -2.559763     -1.737264      3.568575
  H      -3.887694     -2.169455      2.481707
  H      -2.046585     -0.630003      1.490516
  H      -2.673718      0.646297      2.560325
  H      -5.753055      0.056721     -0.691889
  H      -5.958518      1.775034     -2.473512
  H      -2.584304      4.786085     -1.886434
  H      -0.657875      5.004782     -0.259900
  H      -0.375092      3.238489      1.495917
  H      -1.882314      5.486089      4.021830
  H      -2.788197      5.274044      5.525087
  H      -4.251534      6.489362      4.242130
  H      -4.871738      4.845707      4.057529
  H      -3.085220      5.030976      1.903585
  H      -3.834036      6.651810      1.933132
  H      -5.823228      7.242246      2.983153
  H      -8.173439      7.912635      3.263120
  H     -10.784285      4.948803      0.919746
  H     -10.283166      2.916866     -0.491696
  H      -7.904064      2.178603     -0.732624
  H      -6.813893      2.723593      7.615044
  H      -6.874395      2.040229      5.984256
  H      -6.537140      4.514868      5.163707
  H      -7.148969      4.976727      6.765349
  H      -8.978462      4.865937      5.076672
  H      -9.235368      3.581187      6.303669
  H     -11.028490      3.881127      4.644323
  H     -12.847191      3.008716      3.218241
  H     -11.083487     -0.261582      0.509163
  H      -8.764783     -1.226495      0.219705
  H      -6.910886     -0.359098      1.666760
  N      -5.300811      2.414333      3.405176
  H      -5.128439      2.980300      2.573238
  H      -6.217834      1.960775      3.310846
101
Coordinates from ORCA-job orca E -6430.120669549351
  N      -3.840155      0.213469      4.946787
  Mo     -4.045424      2.192566      4.928174
  N      -5.036231      2.881386      6.486311
  C      -4.271892      3.212113      7.684101
  C      -3.193041      2.148448      7.891055
  N      -2.477997      1.911068      6.611941
  C      -1.981212      0.518225      6.491621
  C      -3.106743     -0.403347      6.049816
  C      -1.398457      2.896766      6.353388
  C      -1.300033      3.102703      4.836369
  N      -2.592032      3.514046      4.292380
  H      -2.660858     -1.370363      5.751867
  H      -3.786796     -0.626459      6.898595
  H      -1.205853      0.519323      5.712952
  H      -1.517907      0.182078      7.437907
  H      -0.513680      3.849811      4.613880
  H      -0.982729      2.161240      4.355391
  H      -1.687489      3.846165      6.826367
  H      -0.446971      2.566042      6.810473
  H      -4.923181      3.239281      8.576305
  H      -3.804357      4.214104      7.607818
  H      -3.681958      1.205024      8.173622
  H      -2.482894      2.424383      8.692467
  C      -4.439216     -0.751043      4.029302
  C      -3.427562     -1.326893      3.022833
  C      -2.914829     -0.280646      2.055702
  O      -3.983186     -0.031365      1.102567
  C      -3.967701      0.965647      0.199459
  C      -5.010417      0.944621     -0.722823
  C      -5.114000      1.939210     -1.704050
  N      -4.276874      2.958944     -1.842558
  C      -3.248743      3.009090     -0.952565
  C      -2.331647      4.086222     -1.047990
  C      -1.271259      4.165461     -0.174394
  C      -1.120761      3.150348      0.797218
  N      -1.947197      2.127127      0.927045
  C      -3.015105      2.039152      0.087749
  C      -2.769095      4.956363      4.428638
  C      -4.038432      5.495183      3.773492
  C      -3.955784      5.575207      2.246147
  O      -5.087647      4.977964      1.561013
  C      -6.311512      5.490851      1.759204
  C      -6.604663      6.643311      2.477035
  C      -7.949584      7.037756      2.630639
  N      -8.998459      6.405582      2.126974
  C      -8.727024      5.290530      1.382298
  C      -9.798669      4.590276      0.777277
  C      -9.532739      3.470817      0.020557
  C      -8.192507      3.043350     -0.115427
  N      -7.158707      3.660300      0.433012
  C      -7.408603      4.775591      1.166048
  C      -6.493495      2.895161      6.567527
  C      -7.142591      4.175031      6.004529
  C      -8.559186      3.948171      5.505892
  O      -8.457492      2.927174      4.491126
  C      -9.545491      2.545253      3.814315
  C     -10.820234      3.077128      3.944748
  C     -11.855202      2.572775      3.128919
  N     -11.726340      1.608749      2.228853
  C     -10.476630      1.070786      2.094053
  C     -10.259319      0.048767      1.137521
  C      -8.993437     -0.475482      0.980735
  C      -7.944488      0.015455      1.789895
  N      -8.103996      0.961281      2.704039
  C      -9.344541      1.492391      2.857924
  H      -4.895901     -1.581953      4.601067
  H      -5.246658     -0.252897      3.476853
  H      -2.560834     -1.740890      3.564106
  H      -3.881422     -2.162061      2.463647
  H      -2.029001     -0.622804      1.499722
  H      -2.655407      0.648619      2.574746
  H      -5.748173      0.143401     -0.667272
  H      -5.942085      1.892972     -2.419152
  H      -2.504435      4.829849     -1.827784
  H      -0.552916      4.985406     -0.224032
  H      -0.281574      3.186526      1.499607
  H      -1.888624      5.472600      3.988004
  H      -2.790112      5.273638      5.496260
  H      -4.253380      6.483748      4.204145
  H      -4.879523      4.839509      4.043956
  H      -3.109530      4.982988      1.877965
  H      -3.840056      6.612378      1.890303
  H      -5.821790      7.241640      2.937426
  H      -8.164236      7.937952      3.216991
  H     -10.812822      4.962086      0.931078
  H     -10.335836      2.906691     -0.454660
  H      -7.964852      2.144795     -0.697279
  H      -6.812775      2.739449      7.615441
  H      -6.881724      2.042942      5.990644
  H      -6.538769      4.511780      5.150602
  H      -7.147353      4.985709      6.749784
  H      -8.978795      4.865980      5.062498
  H      -9.237444      3.593836      6.302054
  H     -11.031731      3.883320      4.645355
  H     -12.856623      3.004133      3.232025
  H     -11.108278     -0.288742      0.540321
  H      -8.791360     -1.256795      0.246380
  H      -6.929753     -0.379200      1.676809
  N      -5.316098      2.402339      3.400174
  H      -5.153857      2.971623      2.568073
  H      -6.233223      1.947384      3.311932
101
Coordinates from ORCA-job orca E -6430.120739997718
  N      -3.841895      0.197674      4.950930
  Mo     -4.055042      2.175541      4.927483
  N      -5.043676      2.868518      6.486229
  C      -4.276958      3.206850      7.680691
  C      -3.195989      2.145747      7.888690
  N      -2.483878      1.904093      6.608985
  C      -1.983200      0.512289      6.493694
  C      -3.106067     -0.414242      6.054815
  C      -1.407504      2.891762      6.344000
  C      -1.312456      3.090957      4.826210
  N      -2.606869      3.498392      4.284561
  H      -2.656654     -1.380185      5.758052
  H      -3.784560     -0.638618      6.904354
  H      -1.207621      0.513688      5.715395
  H      -1.519424      0.180750      7.441413
  H      -0.528142      3.839027      4.599081
  H      -0.993614      2.148378      4.347951
  H      -1.698017      3.842339      6.813926
  H      -0.454181      2.565713      6.800679
  H      -4.925645      3.233949      8.574623
  H      -3.812845      4.210028      7.600312
  H      -3.683437      1.203142      8.176343
  H      -2.483971      2.425546      8.687225
  C      -4.418361     -0.766912      4.019853
  C      -3.387958     -1.316901      3.018123
  C      -2.878824     -0.254062      2.067478
  O      -3.938393     -0.007256      1.105244
  C      -3.928621      1.002990      0.217514
  C      -4.988643      1.006385     -0.684945
  C      -5.097064      2.012489     -1.653369
  N      -4.248033      3.021516     -1.798197
  C      -3.202140      3.047195     -0.927977
  C      -2.270620      4.110972     -1.031932
  C      -1.191478      4.165238     -0.179547
  C      -1.038052      3.139351      0.780222
  N      -1.878654      2.128973      0.919525
  C      -2.963683      2.064567      0.099632
  C      -2.781377      4.941161      4.408856
  C      -4.049966      5.474986      3.749560
  C      -3.973159      5.528698      2.221096
  O      -5.118601      4.940333      1.550383
  C      -6.333609      5.475815      1.742602
  C      -6.608751      6.642887      2.443449
  C      -7.947732      7.058045      2.594576
  N      -9.006773      6.431639      2.104843
  C      -8.752728      5.302410      1.375959
  C      -9.835815      4.606277      0.785997
  C      -9.586656      3.474799      0.041601
  C      -8.251650      3.031343     -0.097219
  N      -7.208390      3.642685      0.438889
  C      -7.441890      4.768479      1.161276
  C      -6.500569      2.891936      6.568455
  C      -7.144693      4.172263      6.000917
  C      -8.561418      3.949297      5.501557
  O      -8.464203      2.921693      4.492663
  C      -9.554415      2.545498      3.815766
  C     -10.824052      3.090760      3.941197
  C     -11.863687      2.589543      3.129751
  N     -11.743826      1.616457      2.238018
  C     -10.498813      1.066744      2.106652
  C     -10.291631      0.035393      1.157812
  C      -9.030200     -0.500061      1.002845
  C      -7.975843     -0.010659      1.805871
  N      -8.125817      0.942696      2.714118
  C      -9.362295      1.484741      2.866141
  H      -4.865405     -1.611526      4.578668
  H      -5.229137     -0.276082      3.465938
  H      -2.520419     -1.722721      3.564491
  H      -3.823614     -2.152990      2.446072
  H      -1.982642     -0.582276      1.520043
  H      -2.634856      0.673184      2.597886
  H      -5.736642      0.215129     -0.622915
  H      -5.940942      1.986886     -2.350588
  H      -2.447375      4.865139     -1.800620
  H      -0.462544      4.975325     -0.234972
  H      -0.183700      3.155545      1.464739
  H      -1.899699      5.452656      3.965780
  H      -2.804061      5.265170      5.474435
  H      -4.260043      6.470458      4.165969
  H      -4.891694      4.825076      4.031851
  H      -3.139901      4.914265      1.858836
  H      -3.839765      6.557319      1.847364
  H      -5.816756      7.238396      2.891861
  H      -8.147972      7.970560      3.166682
  H     -10.844629      4.992166      0.939686
  H     -10.398377      2.913734     -0.422345
  H      -8.038225      2.124047     -0.672067
  H      -6.819350      2.742200      7.617190
  H      -6.893689      2.039388      5.995445
  H      -6.538497      4.505048      5.147068
  H      -7.147630      4.985582      6.743652
  H      -8.975449      4.866506      5.051713
  H      -9.242885      3.604635      6.299297
  H     -11.028227      3.905114      4.634498
  H     -12.861085      3.030822      3.229862
  H     -11.144379     -0.299600      0.564607
  H      -8.835660     -1.288551      0.274268
  H      -6.964115     -0.413217      1.691686
  N      -5.326591      2.376895      3.398726
  H      -5.176457      2.956711      2.571162
  H      -6.246061      1.924885      3.314992
101
Coordinates from ORCA-job orca E -6430.120825555849
  N      -3.841510      0.181670      4.954551
  Mo     -4.063060      2.158436      4.920202
  N      -5.046821      2.859074      6.479209
  C      -4.276062      3.208779      7.667874
  C      -3.192156      2.151266      7.878409
  N      -2.485173      1.901823      6.597519
  C      -1.980710      0.510776      6.490896
  C      -3.101341     -0.422292      6.059624
  C      -1.412389      2.890360      6.320615
  C      -1.324295      3.079219      4.801233
  N      -2.621647      3.482342      4.262951
  H      -2.648144     -1.387454      5.765938
  H      -3.776754     -0.646168      6.911602
  H      -1.206169      0.509496      5.711623
  H      -1.514751      0.186966      7.440241
  H      -0.541662      3.826710      4.566004
  H      -1.006162      2.134010      4.327421
  H      -1.702683      3.843368      6.785828
  H      -0.456178      2.569661      6.775077
  H      -4.920899      3.239603      8.564428
  H      -3.815178      4.212658      7.578705
  H      -3.677143      1.209984      8.174385
  H      -2.477143      2.437445      8.672049
  C      -4.398448     -0.785916      4.015167
  C      -3.351166     -1.319568      3.021736
  C      -2.839027     -0.246003      2.084661
  O      -3.888285      0.000161      1.112157
  C      -3.885157      1.028199      0.245418
  C      -4.963524      1.060965     -0.634209
  C      -5.080276      2.086064     -1.581142
  N      -4.221033      3.086388     -1.726798
  C      -3.156430      3.082868     -0.879021
  C      -2.213560      4.136306     -0.984303
  C      -1.115984      4.161958     -0.154292
  C      -0.955483      3.117291      0.783761
  N      -1.806438      2.115612      0.924312
  C      -2.909361      2.079540      0.126419
  C      -2.795657      4.925493      4.377777
  C      -4.065653      5.454087      3.717827
  C      -3.996965      5.485824      2.188679
  O      -5.155979      4.907276      1.532532
  C      -6.362200      5.462350      1.723562
  C      -6.619824      6.638674      2.415267
  C      -7.953027      7.071716      2.568219
  N      -9.022047      6.453804      2.089136
  C      -8.785066      5.315967      1.368186
  C      -9.879132      4.627393      0.789025
  C      -9.646413      3.489016      0.049817
  C      -8.316726      3.031188     -0.094784
  N      -7.264519      3.633777      0.433214
  C      -7.481735      4.765445      1.151216
  C      -6.503202      2.886786      6.566237
  C      -7.146898      4.167641      5.999432
  C      -8.564388      3.946794      5.501705
  O      -8.470989      2.918741      4.492706
  C      -9.563795      2.546698      3.817331
  C     -10.829979      3.100235      3.941814
  C     -11.873350      2.603067      3.132836
  N     -11.760032      1.626664      2.243844
  C     -10.518398      1.069197      2.113044
  C     -10.318620      0.033760      1.167021
  C      -9.060880     -0.510681      1.013241
  C      -8.003110     -0.026241      1.814838
  N      -8.145967      0.930835      2.720340
  C      -9.378718      1.482163      2.870607
  H      -4.840303     -1.638576      4.565707
  H      -5.209562     -0.302097      3.455565
  H      -2.486420     -1.721597      3.575242
  H      -3.773124     -2.154993      2.438712
  H      -1.933367     -0.564403      1.547447
  H      -2.609071      0.679666      2.624615
  H      -5.721583      0.279847     -0.568299
  H      -5.941245      2.085918     -2.257419
  H      -2.396662      4.906845     -1.735100
  H      -0.378635      4.964313     -0.210164
  H      -0.086368      3.110270      1.449580
  H      -1.914672      5.433934      3.930238
  H      -2.817388      5.256286      5.441306
  H      -4.270912      6.455276      4.122414
  H      -4.907012      4.809254      4.012458
  H      -3.176427      4.852000      1.830246
  H      -3.848178      6.506586      1.799759
  H      -5.818881      7.228757      2.854984
  H      -8.139269      7.991809      3.132821
  H     -10.882734      5.025413      0.945624
  H     -10.466630      2.933648     -0.405957
  H      -8.116576      2.119193     -0.667643
  H      -6.818753      2.738937      7.616166
  H      -6.899815      2.034566      5.995289
  H      -6.541061      4.499968      5.145147
  H      -7.148256      4.981377      6.741841
  H      -8.976987      4.864838      5.052333
  H      -9.245897      3.604210      6.300358
  H     -11.028848      3.918218      4.632363
  H     -12.867836      3.050951      3.232421
  H     -11.173996     -0.297311      0.575418
  H      -8.872008     -1.302971      0.287369
  H      -6.994618     -0.437622      1.702642
  N      -5.333153      2.349798      3.388916
  H      -5.194615      2.939167      2.565993
  H      -6.252866      1.896881      3.308544
101
Coordinates from ORCA-job orca E -6430.120858378803
  N      -3.824823      0.156492      4.969265
  Mo     -4.071642      2.130048      4.916278
  N      -5.054685      2.836827      6.473150
  C      -4.283558      3.211957      7.653494
  C      -3.191909      2.163990      7.873604
  N      -2.488623      1.902346      6.593371
  C      -1.972557      0.514083      6.505803
  C      -3.083490     -0.433260      6.080210
  C      -1.422343      2.893637      6.299061
  C      -1.341673      3.066009      4.777228
  N      -2.641437      3.463011      4.238071
  H      -2.618420     -1.394693      5.793222
  H      -3.758216     -0.660075      6.931640
  H      -1.194524      0.509694      5.730026
  H      -1.508446      0.205856      7.461197
  H      -0.560579      3.812081      4.532259
  H      -1.023415      2.116722      4.311887
  H      -1.713314      3.849608      6.757658
  H      -0.462014      2.581787      6.751250
  H      -4.925819      3.249882      8.551744
  H      -3.830229      4.217492      7.547110
  H      -3.671484      1.223907      8.182039
  H      -2.475397      2.463069      8.661023
  C      -4.346230     -0.818554      4.016965
  C      -3.265120     -1.325464      3.043935
  C      -2.763057     -0.240318      2.113116
  O      -3.793538     -0.037577      1.111549
  C      -3.815063      0.999257      0.255180
  C      -4.913549      1.035141     -0.598800
  C      -5.057433      2.068903     -1.532413
  N      -4.202326      3.071037     -1.691781
  C      -3.118003      3.063857     -0.868730
  C      -2.184285      4.124172     -0.982520
  C      -1.074589      4.152814     -0.168982
  C      -0.890373      3.102020      0.757550
  N      -1.730253      2.091444      0.903958
  C      -2.845719      2.054279      0.123522
  C      -2.820449      4.905790      4.358409
  C      -4.092185      5.434169      3.702516
  C      -4.028753      5.461442      2.173930
  O      -5.199777      4.901829      1.522827
  C      -6.398637      5.469621      1.719898
  C      -6.645120      6.640227      2.424797
  C      -7.974853      7.081758      2.586332
  N      -9.050520      6.477117      2.104712
  C      -8.824579      5.347033      1.368348
  C      -9.925332      4.672166      0.784574
  C      -9.702586      3.543899      0.026890
  C      -8.375787      3.082853     -0.133228
  N      -7.319148      3.670617      0.402182
  C      -7.526027      4.790967      1.139714
  C      -6.510260      2.866374      6.562563
  C      -7.154831      4.155973      6.017441
  C      -8.572285      3.942403      5.516007
  O      -8.480587      2.935782      4.485580
  C      -9.579162      2.566425      3.817164
  C     -10.843404      3.122207      3.951091
  C     -11.891710      2.633190      3.143512
  N     -11.784615      1.663038      2.247115
  C     -10.545650      1.101641      2.109196
  C     -10.353730      0.069474      1.157942
  C      -9.100301     -0.484349      1.002788
  C      -8.039719     -0.013507      1.809074
  N      -8.174439      0.942733      2.716265
  C      -9.402290      1.504759      2.866286
  H      -4.781752     -1.682255      4.555400
  H      -5.156298     -0.349369      3.442968
  H      -2.401519     -1.702165      3.615796
  H      -3.651188     -2.172506      2.453579
  H      -1.831038     -0.528854      1.605504
  H      -2.585618      0.697469      2.654131
  H      -5.671329      0.256166     -0.515852
  H      -5.938441      2.076627     -2.181889
  H      -2.385608      4.901235     -1.721960
  H      -0.345441      4.962302     -0.228636
  H      -0.012171      3.097354      1.411096
  H      -1.940595      5.418236      3.914038
  H      -2.844470      5.233719      5.422673
  H      -4.294793      6.435773      4.106404
  H      -4.930998      4.788525      4.001739
  H      -3.221168      4.810036      1.817099
  H      -3.861016      6.477297      1.780423
  H      -5.838869      7.219900      2.868843
  H      -8.151939      7.997049      3.161841
  H     -10.925978      5.073155      0.952505
  H     -10.527801      2.998865     -0.432363
  H      -8.182427      2.181345     -0.724568
  H      -6.825549      2.701332      7.610296
  H      -6.906965      2.024389      5.977212
  H      -6.548830      4.503778      5.169366
  H      -7.158205      4.957976      6.772296
  H      -8.986334      4.869577      5.087700
  H      -9.253153      3.582542      6.307654
  H     -11.037165      3.937137      4.646715
  H     -12.883918      3.084346      3.249253
  H     -11.212122     -0.253402      0.566192
  H      -8.917518     -1.276679      0.275331
  H      -7.037460     -0.441148      1.704306
  N      -5.323305      2.312688      3.369615
  H      -5.191013      2.919507      2.558816
  H      -6.242340      1.858557      3.281267
101
Coordinates from ORCA-job orca E -6430.121011752037
  N      -3.838389      0.153391      4.961845
  Mo     -4.077253      2.127798      4.902363
  N      -5.052134      2.844632      6.459618
  C      -4.274792      3.221143      7.635389
  C      -3.185647      2.170804      7.856068
  N      -2.487702      1.901641      6.574131
  C      -1.978116      0.510758      6.490096
  C      -3.095876     -0.433057      6.074275
  C      -1.419438      2.888212      6.271493
  C      -1.345534      3.055388      4.748772
  N      -2.647226      3.452999      4.215904
  H      -2.638168     -1.399386      5.792872
  H      -3.768862     -0.648686      6.929940
  H      -1.204065      0.498783      5.710401
  H      -1.510666      0.204736      7.444540
  H      -0.564069      3.798606      4.496535
  H      -1.032598      2.103741      4.284854
  H      -1.705998      3.847081      6.726592
  H      -0.458323      2.575288      6.720941
  H      -4.913420      3.266067      8.536021
  H      -3.818157      4.224597      7.522833
  H      -3.666769      1.233353      8.170189
  H      -2.465561      2.471182      8.639714
  C      -4.354021     -0.823496      4.008287
  C      -3.271573     -1.333074      3.038306
  C      -2.750526     -0.246378      2.120268
  O      -3.778647     -0.012052      1.123930
  C      -3.794827      1.044863      0.292690
  C      -4.904265      1.118144     -0.544486
  C      -5.042142      2.172894     -1.455068
  N      -4.171167      3.162191     -1.607203
  C      -3.075748      3.118768     -0.800600
  C      -2.121875      4.161660     -0.910388
  C      -0.997559      4.151477     -0.116487
  C      -0.818973      3.078799      0.785788
  N      -1.676955      2.082669      0.926527
  C      -2.807677      2.084609      0.167460
  C      -2.821666      4.897223      4.322775
  C      -4.098422      5.420926      3.671655
  C      -4.045202      5.433123      2.142169
  O      -5.223405      4.872804      1.504809
  C      -6.416468      5.452150      1.702586
  C      -6.647510      6.634550      2.392999
  C      -7.971893      7.090668      2.557101
  N      -9.056195      6.490150      2.090228
  C      -8.845641      5.347718      1.368425
  C      -9.956428      4.676702      0.799995
  C      -9.749933      3.535098      0.058008
  C      -8.429101      3.056598     -0.100761
  N      -7.363122      3.640796      0.419854
  C      -7.554010      4.775167      1.140288
  C      -6.507565      2.875024      6.554346
  C      -7.151663      4.158880      5.994714
  C      -8.570725      3.942635      5.499398
  O      -8.483608      2.922370      4.481967
  C      -9.583195      2.553288      3.815252
  C     -10.845753      3.113402      3.947131
  C     -11.896459      2.622686      3.143596
  N     -11.793270      1.647106      2.252802
  C     -10.556004      1.081566      2.116449
  C     -10.367822      0.044638      1.169655
  C      -9.115868     -0.512329      1.014355
  C      -8.052823     -0.039668      1.816048
  N      -8.184005      0.920803      2.719362
  C      -9.410452      1.485683      2.869908
  H      -4.791711     -1.686421      4.546288
  H      -5.161359     -0.354385      3.430452
  H      -2.415890     -1.725543      3.612052
  H      -3.664191     -2.170324      2.438033
  H      -1.823904     -0.544353      1.608812
  H      -2.555200      0.680558      2.673258
  H      -5.675157      0.351325     -0.466265
  H      -5.931450      2.209087     -2.092118
  H      -2.319093      4.955825     -1.632589
  H      -0.251729      4.945742     -0.175079
  H       0.070954      3.043004      1.422606
  H      -1.944876      5.403285      3.864473
  H      -2.834993      5.236114      5.383937
  H      -4.296369      6.427355      4.066577
  H      -4.936901      4.780850      3.984247
  H      -3.242524      4.776006      1.785602
  H      -3.876614      6.444881      1.738286
  H      -5.832786      7.212369      2.823615
  H      -8.136788      8.015198      3.121127
  H     -10.951799      5.090920      0.967067
  H     -10.583627      2.992504     -0.388762
  H      -8.248740      2.143346     -0.677989
  H      -6.818967      2.724387      7.605457
  H      -6.907455      2.025568      5.981927
  H      -6.547486      4.495040      5.140625
  H      -7.151088      4.969731      6.740024
  H      -8.983281      4.865203      5.059521
  H      -9.250602      3.594720      6.297175
  H     -11.036553      3.932178      4.638909
  H     -12.887496      3.076929      3.248096
  H     -11.227714     -0.278964      0.580617
  H      -8.936002     -1.307624      0.289440
  H      -7.050800     -0.467603      1.708925
  N      -5.341583      2.299869      3.365268
  H      -5.222475      2.907463      2.553334
  H      -6.260027      1.843477      3.289380
101
Coordinates from ORCA-job orca E -6430.121101296957
  N      -3.857745      0.155241      4.948235
  Mo     -4.087716      2.130526      4.882903
  N      -5.054997      2.856916      6.440366
  C      -4.271979      3.236451      7.611318
  C      -3.187096      2.182226      7.835050
  N      -2.494213      1.902918      6.552355
  C      -1.993782      0.508249      6.473447
  C      -3.120026     -0.428974      6.065410
  C      -1.420797      2.881685      6.243093
  C      -1.351666      3.044419      4.719743
  N      -2.653547      3.446691      4.191607
  H      -2.672250     -1.402155      5.792523
  H      -3.794404     -0.629761      6.923438
  H      -1.222345      0.486742      5.691223
  H      -1.525772      0.203914      7.428162
  H      -0.567797      3.783025      4.462011
  H      -1.045746      2.090130      4.256787
  H      -1.700049      3.843735      6.696030
  H      -0.460232      2.563980      6.690281
  H      -4.907610      3.290741      8.513544
  H      -3.810346      4.236619      7.490432
  H      -3.671930      1.248966      8.155789
  H      -2.463267      2.483417      8.614817
  C      -4.362010     -0.822360      3.989257
  C      -3.269228     -1.335375      3.033078
  C      -2.729085     -0.250220      2.124187
  O      -3.746209     -0.001850      1.120560
  C      -3.757374      1.071611      0.310648
  C      -4.874436      1.177822     -0.512693
  C      -5.004754      2.250987     -1.402805
  N      -4.118430      3.227820     -1.547633
  C      -3.014982      3.151653     -0.754734
  C      -2.042642      4.178093     -0.859627
  C      -0.908951      4.133614     -0.080245
  C      -0.739301      3.042631      0.801607
  N      -1.613875      2.060195      0.936266
  C      -2.754271      2.096790      0.192772
  C      -2.820791      4.892265      4.292596
  C      -4.101946      5.416771      3.650107
  C      -4.057931      5.424795      2.120161
  O      -5.240202      4.865350      1.489922
  C      -6.431822      5.445199      1.694035
  C      -6.657802      6.629530      2.383084
  C      -7.980869      7.086131      2.555705
  N      -9.068514      6.485013      2.097643
  C      -8.863303      5.341012      1.376657
  C      -9.978206      4.669724      0.817095
  C      -9.777816      3.526176      0.076492
  C      -8.458684      3.045399     -0.088685
  N      -7.388605      3.629930      0.423373
  C      -7.573499      4.767063      1.141207
  C      -6.510148      2.886128      6.542010
  C      -7.158034      4.166959      5.979641
  C      -8.579761      3.947213      5.493499
  O      -8.497293      2.922010      4.480816
  C      -9.600782      2.544978      3.825224
  C     -10.865524      3.097809      3.966923
  C     -11.920546      2.597562      3.174925
  N     -11.819622      1.619377      2.286727
  C     -10.580264      1.060849      2.140943
  C     -10.394061      0.021847      1.196025
  C      -9.139935     -0.527580      1.030994
  C      -8.072680     -0.045377      1.821307
  N      -8.201987      0.917188      2.722560
  C      -9.430399      1.474829      2.882392
  H      -4.807642     -1.683856      4.523111
  H      -5.161315     -0.352337      3.400993
  H      -2.423861     -1.734708      3.617509
  H      -3.658342     -2.169027      2.425475
  H      -1.799779     -0.552890      1.620824
  H      -2.531000      0.672494      2.683899
  H      -5.657810      0.423142     -0.438131
  H      -5.900486      2.313725     -2.028384
  H      -2.233162      4.986649     -1.567525
  H      -0.147897      4.913480     -0.136873
  H       0.158836      2.978702      1.424599
  H      -1.946625      5.392677      3.823115
  H      -2.822501      5.236358      5.352042
  H      -4.295547      6.424675      4.043314
  H      -4.939187      4.779561      3.971572
  H      -3.258495      4.765130      1.761665
  H      -3.889231      6.435156      1.712781
  H      -5.839759      7.207927      2.806365
  H      -8.141771      8.011631      3.119357
  H     -10.972172      5.085149      0.989927
  H     -10.615032      2.983307     -0.363245
  H      -8.282906      2.129291     -0.662533
  H      -6.816229      2.740786      7.595480
  H      -6.912394      2.033212      5.976318
  H      -6.559168      4.500031      5.120817
  H      -7.154241      4.981063      6.721329
  H      -8.995924      4.867175      5.051378
  H      -9.254318      3.602219      6.296954
  H     -11.055022      3.917458      4.658057
  H     -12.913510      3.045719      3.287180
  H     -11.257107     -0.309194      0.615743
  H      -8.961444     -1.323763      0.306688
  H      -7.068663     -0.466463      1.705888
  N      -5.359292      2.296184      3.351820
  H      -5.246857      2.903388      2.538447
  H      -6.277461      1.838304      3.283314
101
Coordinates from ORCA-job orca E -6430.121154127961
  N      -3.889958      0.171955      4.931774
  Mo     -4.095693      2.149971      4.859645
  N      -5.052920      2.889293      6.415363
  C      -4.262796      3.269456      7.580924
  C      -3.188940      2.205193      7.812622
  N      -2.500469      1.910444      6.530389
  C      -2.020567      0.508084      6.456667
  C      -3.164281     -0.411986      6.058182
  C      -1.413585      2.872637      6.216676
  C      -1.347426      3.032564      4.692909
  N      -2.646265      3.448112      4.169105
  H      -2.738829     -1.398794      5.800648
  H      -3.843133     -0.583445      6.918923
  H      -1.253386      0.469486      5.670605
  H      -1.553256      0.202429      7.411213
  H      -0.555714      3.760784      4.429777
  H      -1.056324      2.073753      4.230585
  H      -1.677609      3.839511      6.668119
  H      -0.456792      2.541478      6.661470
  H      -4.895938      3.343554      8.483445
  H      -3.787531      4.261441      7.446529
  H      -3.683268      1.279278      8.140346
  H      -2.461118      2.504399      8.589271
  C      -4.384787     -0.808359      3.970466
  C      -3.283278     -1.335704      3.033839
  C      -2.725436     -0.259878      2.124974
  O      -3.737366     -0.004278      1.116991
  C      -3.743707      1.076556      0.316323
  C      -4.858156      1.198467     -0.508165
  C      -4.975456      2.278455     -1.392525
  N      -4.079575      3.248023     -1.527349
  C      -2.978877      3.156241     -0.732702
  C      -1.993369      4.171242     -0.831536
  C      -0.859834      4.106716     -0.053492
  C      -0.702493      3.006694      0.819586
  N      -1.588686      2.033907      0.947035
  C      -2.730026      2.092009      0.207050
  C      -2.799279      4.895854      4.272273
  C      -4.089844      5.430654      3.654870
  C      -4.060384      5.463949      2.124164
  O      -5.234555      4.890033      1.493260
  C      -6.434303      5.445982      1.714268
  C      -6.670741      6.618808      2.419789
  C      -7.997670      7.057712      2.605060
  N      -9.080236      6.451773      2.142239
  C      -8.865636      5.318721      1.406451
  C      -9.975955      4.645685      0.841536
  C      -9.769062      3.509868      0.091221
  C      -8.447249      3.038581     -0.078500
  N      -7.379182      3.627916      0.434037
  C      -7.570915      4.758973      1.160757
  C      -6.507798      2.905774      6.525249
  C      -7.166998      4.178804      5.958287
  C      -8.591404      3.946849      5.485277
  O      -8.509180      2.917164      4.477256
  C      -9.614452      2.529576      3.831650
  C     -10.883045      3.070371      3.984187
  C     -11.939377      2.562450      3.198468
  N     -11.836503      1.587494      2.307302
  C     -10.593772      1.038851      2.152327
  C     -10.405150      0.003279      1.204297
  C      -9.147901     -0.535219      1.029467
  C      -8.079080     -0.045501      1.812849
  N      -8.210575      0.914551      2.716438
  C      -9.442333      1.461067      2.886808
  H      -4.845807     -1.661655      4.504354
  H      -5.171575     -0.336494      3.366555
  H      -2.449545     -1.739694      3.632564
  H      -3.669421     -2.170333      2.425115
  H      -1.795723     -0.567851      1.626805
  H      -2.523098      0.661691      2.685335
  H      -5.648547      0.450280     -0.440670
  H      -5.866836      2.351696     -2.022609
  H      -2.173205      4.984648     -1.536704
  H      -0.086596      4.874648     -0.109111
  H       0.197375      2.925171      1.438330
  H      -1.931678      5.388862      3.782211
  H      -2.773347      5.241737      5.330695
  H      -4.278147      6.433549      4.064424
  H      -4.924858      4.792035      3.979894
  H      -3.249376      4.828360      1.749811
  H      -3.917017      6.484463      1.732354
  H      -5.856495      7.199954      2.846376
  H      -8.166694      7.973164      3.182430
  H     -10.972650      5.052014      1.020155
  H     -10.603510      2.965673     -0.352196
  H      -8.265116      2.126320     -0.655526
  H      -6.807686      2.765097      7.581372
  H      -6.906910      2.045937      5.967705
  H      -6.578080      4.508755      5.091387
  H      -7.161661      4.998099      6.694112
  H      -9.018213      4.861495      5.041905
  H      -9.256029      3.599479      6.295934
  H     -11.074241      3.886484      4.678852
  H     -12.935678      3.001458      3.318601
  H     -11.268996     -0.334007      0.628929
  H      -8.967718     -1.327893      0.301702
  H      -7.072062     -0.456858      1.688835
  N      -5.377188      2.314750      3.339114
  H      -5.259100      2.911418      2.519010
  H      -6.294354      1.855462      3.276835
101
Coordinates from ORCA-job orca E -6430.121221813308
  N      -3.899225      0.158047      4.939808
  Mo     -4.107407      2.135405      4.852998
  N      -5.057796      2.886938      6.407298
  C      -4.262203      3.280933      7.564484
  C      -3.189050      2.217540      7.803330
  N      -2.506254      1.908553      6.521520
  C      -2.028678      0.505053      6.460490
  C      -3.174565     -0.416759      6.071564
  C      -1.418646      2.865631      6.194080
  C      -1.359700      3.013113      4.668718
  N      -2.660021      3.429999      4.148736
  H      -2.750817     -1.406496      5.822740
  H      -3.853002     -0.579211      6.934114
  H      -1.262466      0.458080      5.673942
  H      -1.560897      0.207732      7.417489
  H      -0.566539      3.736300      4.395868
  H      -1.074310      2.049763      4.211988
  H      -1.677255      3.836601      6.639874
  H      -0.460255      2.535515      6.636273
  H      -4.890894      3.366315      8.469029
  H      -3.786122      4.270319      7.415567
  H      -3.684103      1.296100      8.142330
  H      -2.457530      2.523222      8.573998
  C      -4.363142     -0.825749      3.967136
  C      -3.236622     -1.333192      3.048839
  C      -2.675976     -0.247971      2.152326
  O      -3.669954     -0.005688      1.124116
  C      -3.687248      1.084198      0.335902
  C      -4.818100      1.219936     -0.463273
  C      -4.948358      2.308774     -1.334691
  N      -4.049609      3.274089     -1.480400
  C      -2.932111      3.168058     -0.711209
  C      -1.944321      4.179747     -0.820290
  C      -0.794991      4.101968     -0.067092
  C      -0.623883      2.991661      0.790080
  N      -1.512158      2.022011      0.927782
  C      -2.669105      2.093692      0.213126
  C      -2.806487      4.878634      4.245512
  C      -4.099994      5.415793      3.637117
  C      -4.085646      5.441235      2.106285
  O      -5.270564      4.873535      1.489804
  C      -6.463968      5.441049      1.715372
  C      -6.687514      6.615915      2.421539
  C      -8.009887      7.066290      2.612148
  N      -9.099632      6.469172      2.154412
  C      -8.897712      5.334343      1.417925
  C     -10.016144      4.670103      0.857953
  C      -9.821777      3.533600      0.105243
  C      -8.504245      3.053252     -0.072465
  N      -7.429534      3.633650      0.436124
  C      -7.608799      4.764326      1.166281
  C      -6.511824      2.903331      6.523847
  C      -7.174914      4.173840      5.956027
  C      -8.599901      3.939067      5.486382
  O      -8.519470      2.909882      4.477295
  C      -9.626327      2.527476      3.831029
  C     -10.892189      3.074698      3.983936
  C     -11.950827      2.574539      3.196598
  N     -11.852620      1.601376      2.302997
  C     -10.612804      1.046306      2.147600
  C     -10.429948      0.012065      1.197048
  C      -9.176033     -0.534009      1.022143
  C      -8.105013     -0.053203      1.808079
  N      -8.230799      0.905747      2.713815
  C      -9.459372      1.459926      2.884040
  H      -4.820133     -1.688456      4.489156
  H      -5.146394     -0.362799      3.351879
  H      -2.408448     -1.726394      3.662057
  H      -3.599143     -2.171484      2.430857
  H      -1.731524     -0.542605      1.674886
  H      -2.499184      0.676527      2.717317
  H      -5.613034      0.478242     -0.382322
  H      -5.854455      2.394883     -1.941439
  H      -2.135362      5.002317     -1.511778
  H      -0.020508      4.868087     -0.129308
  H       0.288495      2.899700      1.388619
  H      -1.940925      5.365506      3.746189
  H      -2.770819      5.229371      5.301937
  H      -4.280241      6.421240      4.043730
  H      -4.934123      4.781774      3.973163
  H      -3.283293      4.797018      1.727435
  H      -3.937766      6.458309      1.707614
  H      -5.866736      7.190748      2.844312
  H      -8.168454      7.983610      3.189539
  H     -11.008624      5.084354      1.041467
  H     -10.662398      2.996198     -0.334802
  H      -8.332080      2.141271     -0.653696
  H      -6.807277      2.765105      7.581518
  H      -6.912177      2.041738      5.970024
  H      -6.588483      4.503490      5.087179
  H      -7.169365      4.994847      6.690037
  H      -9.028945      4.853273      5.044528
  H      -9.262288      3.590852      6.298567
  H     -11.079644      3.890584      4.679874
  H     -12.944659      3.018889      3.317253
  H     -11.295550     -0.318486      0.620421
  H      -9.000297     -1.326503      0.293152
  H      -7.101318     -0.473146      1.685583
  N      -5.386471      2.291023      3.329976
  H      -5.276231      2.894753      2.513980
  H      -6.304093      1.831615      3.270275
101
Coordinates from ORCA-job orca E -6430.121275696654
  N      -3.905735      0.156612      4.931569
  Mo     -4.114540      2.133833      4.836429
  N      -5.061461      2.893120      6.389357
  C      -4.262488      3.293033      7.542228
  C      -3.191388      2.228628      7.785961
  N      -2.509868      1.913088      6.504986
  C      -2.033832      0.509012      6.448871
  C      -3.182798     -0.412206      6.067593
  C      -1.422259      2.868071      6.172917
  C      -1.364689      3.010876      4.647034
  N      -2.665973      3.424751      4.126294
  H      -2.763498     -1.405724      5.827244
  H      -3.861310     -0.564311      6.931651
  H      -1.270499      0.457840      5.659656
  H      -1.563340      0.215056      7.405710
  H      -0.573352      3.734775      4.372029
  H      -1.077373      2.047076      4.192420
  H      -1.680008      3.840440      6.616185
  H      -0.463389      2.538777      6.615056
  H      -4.888960      3.388014      8.447399
  H      -3.783148      4.279308      7.383578
  H      -3.687700      1.309616      8.129405
  H      -2.458930      2.536778      8.554683
  C      -4.362478     -0.829820      3.957940
  C      -3.229939     -1.339766      3.049077
  C      -2.658649     -0.255394      2.158021
  O      -3.646353     -0.003717      1.125907
  C      -3.654916      1.095534      0.349697
  C      -4.790811      1.259825     -0.436057
  C      -4.909279      2.359902     -1.295645
  N      -3.994092      3.309892     -1.440210
  C      -2.871332      3.175657     -0.682953
  C      -1.867036      4.171183     -0.789171
  C      -0.712412      4.063859     -0.047816
  C      -0.552482      2.939824      0.793323
  N      -1.457243      1.985113      0.929443
  C      -2.619491      2.086856      0.227201
  C      -2.810418      4.874151      4.216302
  C      -4.110376      5.410225      3.621810
  C      -4.109315      5.442976      2.091042
  O      -5.297767      4.876772      1.480455
  C      -6.491062      5.440325      1.716377
  C      -6.714575      6.607405      2.435699
  C      -8.037257      7.052039      2.637760
  N      -9.127573      6.456089      2.179695
  C      -8.925933      5.329289      1.430749
  C     -10.045261      4.666552      0.870699
  C      -9.851388      3.537981      0.105842
  C      -8.533503      3.064306     -0.084156
  N      -7.457934      3.643405      0.424117
  C      -7.636633      4.765849      1.166580
  C      -6.515031      2.908184      6.510821
  C      -7.181460      4.181364      5.952486
  C      -8.607886      3.946643      5.486654
  O      -8.528556      2.924948      4.469748
  C      -9.639045      2.531381      3.836034
  C     -10.908035      3.068462      3.999459
  C     -11.969224      2.558133      3.222354
  N     -11.870560      1.584508      2.328973
  C     -10.627786      1.039112      2.164002
  C     -10.444350      0.004304      1.214128
  C      -9.187496     -0.533243      1.031324
  C      -8.114600     -0.043766      1.809363
  N      -8.240983      0.916570      2.713540
  C      -9.471869      1.462976      2.890561
  H      -4.823913     -1.691363      4.478328
  H      -5.140644     -0.367577      3.335914
  H      -2.408105     -1.737288      3.667361
  H      -3.590696     -2.175783      2.427401
  H      -1.713683     -0.554487      1.684262
  H      -2.479202      0.667142      2.726605
  H      -5.599390      0.533334     -0.352863
  H      -5.820042      2.469932     -1.891256
  H      -2.049777      5.005587     -1.468651
  H       0.074649      4.817231     -0.107735
  H       0.364955      2.823090      1.379421
  H      -1.951558      5.357328      3.702386
  H      -2.759349      5.229934      5.270063
  H      -4.289135      6.413473      4.033664
  H      -4.940404      4.773960      3.963017
  H      -3.308374      4.802562      1.702349
  H      -3.966152      6.462361      1.696793
  H      -5.893308      7.180245      2.860124
  H      -8.195714      7.962871      3.225695
  H     -11.038121      5.075691      1.063858
  H     -10.692612      3.002066     -0.334696
  H      -8.361533      2.158923     -0.675460
  H      -6.807220      2.764006      7.568573
  H      -6.916194      2.049398      5.953402
  H      -6.598387      4.517423      5.084005
  H      -7.174484      4.997610      6.691609
  H      -9.041152      4.862803      5.053442
  H      -9.265789      3.590794      6.299066
  H     -11.095853      3.884679      4.695080
  H     -12.965397      2.994602      3.350770
  H     -11.311871     -0.334046      0.644736
  H      -9.011387     -1.326175      0.302846
  H      -7.109151     -0.457972      1.682987
  N      -5.393596      2.281067      3.313697
  H      -5.282144      2.882922      2.496273
  H      -6.315538      1.828922      3.259362
101
Coordinates from ORCA-job orca E -6430.121341283169
  N      -3.919996      0.165049      4.918143
  Mo     -4.119980      2.143216      4.813220
  N      -5.058036      2.913615      6.365963
  C      -4.251706      3.316926      7.512744
  C      -3.185066      2.248691      7.759688
  N      -2.508351      1.924333      6.478266
  C      -2.039273      0.518187      6.424794
  C      -3.195677     -0.398842      6.056033
  C      -1.418465      2.873806      6.139166
  C      -1.365325      3.012475      4.612692
  N      -2.667785      3.426618      4.094738
  H      -2.784812     -1.397688      5.823426
  H      -3.871351     -0.538045      6.924300
  H      -1.282424      0.460708      5.629752
  H      -1.562753      0.225340      7.379129
  H      -0.574397      3.735208      4.333677
  H      -1.079431      2.047557      4.159264
  H      -1.670957      3.848291      6.580851
  H      -0.459038      2.542328      6.578547
  H      -4.873303      3.424307      8.419731
  H      -3.766305      4.298256      7.342910
  H      -3.683898      1.333590      8.109603
  H      -2.449190      2.558202      8.524670
  C      -4.383673     -0.824295      3.950809
  C      -3.254206     -1.356637      3.051385
  C      -2.659074     -0.284744      2.161441
  O      -3.636977     -0.013617      1.124474
  C      -3.627656      1.096499      0.363086
  C      -4.762421      1.293743     -0.415910
  C      -4.861748      2.408010     -1.259940
  N      -3.929520      3.342986     -1.392236
  C      -2.808168      3.177596     -0.638750
  C      -1.788390      4.158781     -0.728110
  C      -0.634982      4.019368      0.009609
  C      -0.492203      2.877647      0.829633
  N      -1.413223      1.936686      0.951925
  C      -2.574447      2.070172      0.253257
  C      -2.806830      4.876952      4.178055
  C      -4.114987      5.414379      3.603970
  C      -4.135192      5.460956      2.073211
  O      -5.325521      4.889135      1.471765
  C      -6.521362      5.440023      1.724211
  C      -6.750035      6.592665      2.464983
  C      -8.075054      7.022184      2.683671
  N      -9.163356      6.424122      2.223099
  C      -8.956951      5.312205      1.453520
  C     -10.074336      4.648391      0.890562
  C      -9.875657      3.534696      0.105105
  C      -8.554878      3.077728     -0.103685
  N      -7.481047      3.658352      0.406524
  C      -7.664623      4.765264      1.170567
  C      -6.510683      2.921683      6.498228
  C      -7.187330      4.192188      5.945757
  C      -8.615177      3.949386      5.488555
  O      -8.534692      2.932551      4.466566
  C      -9.647030      2.527817      3.843019
  C     -10.919646      3.052845      4.017089
  C     -11.982014      2.533657      3.247660
  N     -11.881001      1.562662      2.351434
  C     -10.634536      1.028954      2.176267
  C     -10.448309     -0.002005      1.222755
  C      -9.187902     -0.528330      1.030448
  C      -8.114367     -0.031830      1.803104
  N      -8.243343      0.925700      2.709979
  C      -9.477447      1.461692      2.895630
  H      -4.859145     -1.675572      4.475489
  H      -5.152408     -0.356599      3.321315
  H      -2.442601     -1.768270      3.673723
  H      -3.626794     -2.187563      2.429905
  H      -1.718929     -0.603702      1.690932
  H      -2.463126      0.634626      2.729848
  H      -5.585472      0.582980     -0.339422
  H      -5.772026      2.544542     -1.850641
  H      -1.958552      5.008578     -1.391629
  H       0.163246      4.761870     -0.036279
  H       0.424686      2.734758      1.410549
  H      -1.956420      5.354506      3.645155
  H      -2.734047      5.237820      5.228637
  H      -4.290184      6.414151      4.025727
  H      -4.940242      4.775278      3.951160
  H      -3.332399      4.834049      1.665939
  H      -4.008031      6.485971      1.688207
  H      -5.930751      7.165104      2.893768
  H      -8.237516      7.921176      3.288527
  H     -11.069490      5.044792      1.097810
  H     -10.715191      2.998439     -0.338218
  H      -8.378639      2.185141     -0.713086
  H      -6.794968      2.774514      7.557613
  H      -6.911467      2.061859      5.942114
  H      -6.611054      4.532553      5.074372
  H      -7.180095      5.007174      6.686304
  H      -9.058415      4.863979      5.062399
  H      -9.264513      3.584834      6.303977
  H     -11.109343      3.867196      4.714462
  H     -12.981103      2.960708      3.384403
  H     -11.316556     -0.346468      0.658105
  H      -9.009823     -1.317850      0.298800
  H      -7.106007     -0.436955      1.670083
  N      -5.401282      2.285593      3.292782
  H      -5.289170      2.886195      2.474440
  H      -6.323864      1.833870      3.240555
101
Coordinates from ORCA-job orca E -6430.121406536290
  N      -3.931294      0.173129      4.905381
  Mo     -4.124327      2.152101      4.794891
  N      -5.053763      2.929837      6.349256
  C      -4.240272      3.334132      7.490794
  C      -3.175792      2.263534      7.737017
  N      -2.504336      1.934507      6.453977
  C      -2.039942      0.527221      6.399694
  C      -3.201696     -0.387366      6.041772
  C      -1.414290      2.881113      6.108399
  C      -1.366947      3.017670      4.581601
  N      -2.671801      3.430683      4.068992
  H      -2.796458     -1.389255      5.812534
  H      -3.872675     -0.519059      6.914861
  H      -1.289613      0.466691      5.598689
  H      -1.556554      0.233938      7.350505
  H      -0.577823      3.740670      4.298412
  H      -1.081504      2.052805      4.127940
  H      -1.663307      3.856782      6.549364
  H      -0.453455      2.548951      6.544138
  H      -4.856719      3.448979      8.400304
  H      -3.751439      4.312418      7.313690
  H      -3.675018      1.350474      8.091603
  H      -2.436549      2.573868      8.498511
  C      -4.405394     -0.818383      3.945412
  C      -3.283761     -1.371988      3.048974
  C      -2.665775     -0.312170      2.161059
  O      -3.636798     -0.014644      1.124475
  C      -3.607932      1.107397      0.380962
  C      -4.740506      1.340704     -0.391013
  C      -4.818069      2.469637     -1.217946
  N      -3.866436      3.386562     -1.338444
  C      -2.747110      3.186387     -0.590083
  C      -1.707749      4.148072     -0.665738
  C      -0.556127      3.973178      0.067084
  C      -0.435259      2.815324      0.867790
  N      -1.375257      1.891915      0.977283
  C      -2.535043      2.060553      0.283813
  C      -2.807282      4.882102      4.142568
  C      -4.123010      5.418658      3.585298
  C      -4.162310      5.473000      2.054754
  O      -5.353900      4.893077      1.464106
  C      -6.551080      5.435526      1.727278
  C      -6.782097      6.580117      2.479634
  C      -8.108263      7.000103      2.709278
  N      -9.195716      6.399720      2.249452
  C      -8.987271      5.296271      1.468433
  C     -10.104130      4.631123      0.905888
  C      -9.903537      3.525834      0.109059
  C      -8.581224      3.079623     -0.113100
  N      -7.507760      3.662055      0.395926
  C      -7.693436      4.759799      1.172802
  C      -6.505471      2.933287      6.490907
  C      -7.189401      4.200266      5.938903
  C      -8.617976      3.950391      5.488237
  O      -8.536787      2.933966      4.465602
  C      -9.650237      2.521848      3.848788
  C     -10.925165      3.038217      4.031390
  C     -11.988990      2.512959      3.268141
  N     -11.887216      1.543911      2.369835
  C     -10.638349      1.018773      2.186068
  C     -10.451211     -0.009299      1.229593
  C      -9.188561     -0.526884      1.028235
  C      -8.113590     -0.024621      1.794909
  N      -8.243343      0.930213      2.704646
  C      -9.479686      1.457854      2.899136
  H      -4.891718     -1.660116      4.475682
  H      -5.167988     -0.345169      3.312702
  H      -2.480704     -1.800136      3.671389
  H      -3.671982     -2.195591      2.427084
  H      -1.734099     -0.652832      1.688786
  H      -2.447218      0.600539      2.731223
  H      -5.579178      0.647539     -0.321802
  H      -5.727001      2.635042     -1.802990
  H      -1.861809      5.011844     -1.315007
  H       0.256691      4.700309      0.032150
  H       0.480232      2.643919      1.443157
  H      -1.964819      5.353891      3.591911
  H      -2.715539      5.249794      5.189366
  H      -4.295659      6.416634      4.012914
  H      -4.943922      4.777372      3.939164
  H      -3.358213      4.857877      1.632187
  H      -4.050662      6.501908      1.675111
  H      -5.963626      7.153008      2.909442
  H      -8.272647      7.892638      3.322985
  H     -11.100379      5.019427      1.122867
  H     -10.742708      2.988475     -0.333667
  H      -8.403343      2.195150     -0.733715
  H      -6.783067      2.787260      7.552233
  H      -6.906674      2.071096      5.938612
  H      -6.617627      4.541172      5.064718
  H      -7.182075      5.016395      6.678204
  H      -9.068438      4.862486      5.064185
  H      -9.261151      3.582131      6.306850
  H     -11.115686      3.850837      4.730518
  H     -12.990053      2.933132      3.411873
  H     -11.320597     -0.358509      0.669703
  H      -9.009989     -1.313730      0.293846
  H      -7.103113     -0.422169      1.654550
  N      -5.412106      2.290533      3.280008
  H      -5.303158      2.891260      2.461412
  H      -6.335388      1.839943      3.232484
101
Coordinates from ORCA-job orca E -6430.121470868762
  N      -3.937981      0.191637      4.888111
  Mo     -4.124126      2.171748      4.784520
  N      -5.046587      2.946259      6.345387
  C      -4.227159      3.342016      7.485976
  C      -3.161302      2.270261      7.720657
  N      -2.495001      1.948818      6.433348
  C      -2.031325      0.542322      6.365995
  C      -3.194183     -0.372831      6.012992
  C      -1.408592      2.899017      6.087016
  C      -1.366706      3.041796      4.560805
  N      -2.675437      3.451568      4.056307
  H      -2.787908     -1.372149      5.773614
  H      -3.856203     -0.512984      6.892029
  H      -1.287869      0.488982      5.558234
  H      -1.538769      0.241507      7.309763
  H      -0.582035      3.769647      4.277461
  H      -1.077068      2.080730      4.101956
  H      -1.658309      3.872692      6.532080
  H      -0.445142      2.567953      6.517862
  H      -4.838703      3.450894      8.399429
  H      -3.739384      4.321735      7.314070
  H      -3.657365      1.354700      8.073218
  H      -2.419221      2.577651      8.480839
  C      -4.451172     -0.797192      3.945831
  C      -3.361025     -1.389186      3.034258
  C      -2.712630     -0.352102      2.142745
  O      -3.677290     -0.009415      1.113112
  C      -3.610537      1.120673      0.384466
  C      -4.730881      1.397138     -0.391875
  C      -4.770192      2.538569     -1.204066
  N      -3.792168      3.430082     -1.305560
  C      -2.684576      3.188793     -0.551486
  C      -1.618987      4.123134     -0.606016
  C      -0.479245      3.908362      0.134531
  C      -0.398015      2.737929      0.921940
  N      -1.362747      1.838798      1.010224
  C      -2.511460      2.045895      0.308616
  C      -2.810907      4.903893      4.117255
  C      -4.131900      5.436647      3.568704
  C      -4.186500      5.493246      2.038228
  O      -5.376290      4.898304      1.459377
  C      -6.576391      5.431263      1.726571
  C      -6.814374      6.571329      2.483172
  C      -8.143490      6.978589      2.718595
  N      -9.227291      6.368640      2.262420
  C      -9.012159      5.269980      1.476777
  C     -10.125393      4.595255      0.918138
  C      -9.917382      3.495749      0.115233
  C      -8.591314      3.066300     -0.119310
  N      -7.521259      3.657647      0.386432
  C      -7.714622      4.748260      1.172024
  C      -6.497487      2.946075      6.495250
  C      -7.188811      4.208242      5.941220
  C      -8.616801      3.948818      5.495035
  O      -8.531994      2.930862      4.474012
  C      -9.644180      2.511458      3.859622
  C     -10.922812      3.015510      4.049986
  C     -11.985950      2.482259      3.291231
  N     -11.880180      1.515933      2.390402
  C     -10.627266      1.003766      2.197915
  C     -10.435703     -0.020124      1.237662
  C      -9.168936     -0.522810      1.025182
  C      -8.094023     -0.009793      1.784305
  N      -8.227841      0.939806      2.699048
  C      -9.468630      1.452672      2.904990
  H      -4.950747     -1.621756      4.490800
  H      -5.211378     -0.308850      3.322126
  H      -2.565042     -1.847182      3.644705
  H      -3.788007     -2.197668      2.417555
  H      -1.801647     -0.732458      1.659678
  H      -2.448414      0.547202      2.712082
  H      -5.590114      0.727891     -0.337379
  H      -5.670716      2.738610     -1.790920
  H      -1.744273      4.998767     -1.245483
  H       0.352637      4.614274      0.116947
  H       0.506540      2.536023      1.504759
  H      -1.973625      5.370706      3.554329
  H      -2.707777      5.278752      5.160849
  H      -4.305641      6.433919      3.998486
  H      -4.949047      4.792060      3.926154
  H      -3.379376      4.891393      1.602502
  H      -4.094212      6.525028      1.660803
  H      -5.999513      7.149803      2.912669
  H      -8.313808      7.868098      3.334759
  H     -11.124467      4.971488      1.142917
  H     -10.753554      2.950793     -0.323981
  H      -8.408074      2.189483     -0.749350
  H      -6.768894      2.802048      7.558407
  H      -6.898926      2.081096      5.947277
  H      -6.619423      4.548998      5.065288
  H      -7.183998      5.026603      6.678187
  H      -9.075313      4.856685      5.070249
  H      -9.254733      3.578046      6.316718
  H     -11.117214      3.824608      4.752041
  H     -12.990260      2.892365      3.441879
  H     -11.305113     -0.377655      0.683273
  H      -8.987101     -1.305421      0.287092
  H      -7.079391     -0.392698      1.632475
  N      -5.421744      2.315198      3.277385
  H      -5.316007      2.916086      2.458732
  H      -6.343643      1.862060      3.229983
101
Coordinates from ORCA-job orca E -6430.121563626058
  N      -3.946001      0.196387      4.877858
  Mo     -4.129167      2.176795      4.769797
  N      -5.045491      2.955747      6.331749
  C      -4.221440      3.354856      7.467665
  C      -3.155886      2.282692      7.702243
  N      -2.494615      1.956302      6.413583
  C      -2.033855      0.548654      6.348625
  C      -3.199551     -0.365543      6.002230
  C      -1.408081      2.903738      6.060137
  C      -1.372644      3.043377      4.533496
  N      -2.683011      3.454342      4.034889
  H      -2.795693     -1.366232      5.765198
  H      -3.858807     -0.501308      6.884069
  H      -1.293191      0.491332      5.538512
  H      -1.538762      0.249482      7.291545
  H      -0.587898      3.769098      4.245032
  H      -1.086965      2.081178      4.074868
  H      -1.654084      3.879007      6.503730
  H      -0.443456      2.571895      6.487649
  H      -4.829467      3.468023      8.383047
  H      -3.733122      4.333287      7.289916
  H      -3.651859      1.368773      8.059338
  H      -2.410924      2.591595      8.458967
  C      -4.461492     -0.794820      3.939305
  C      -3.374938     -1.398135      3.030784
  C      -2.705988     -0.368865      2.145831
  O      -3.662132     -0.002972      1.116244
  C      -3.583003      1.138362      0.406883
  C      -4.705648      1.448824     -0.353221
  C      -4.731364      2.604071     -1.146210
  N      -3.736817      3.477914     -1.243837
  C      -2.625863      3.202230     -0.506694
  C      -1.541341      4.114883     -0.560070
  C      -0.397597      3.865033      0.163228
  C      -0.331328      2.680335      0.930615
  N      -1.313058      1.799596      1.015527
  C      -2.466254      2.042300      0.332897
  C      -2.815340      4.907483      4.090512
  C      -4.141575      5.441068      3.554020
  C      -4.208934      5.501341      2.023941
  O      -5.399565      4.901442      1.452218
  C      -6.600485      5.428516      1.725939
  C      -6.839391      6.565191      2.487421
  C      -8.168958      6.966768      2.729785
  N      -9.252443      6.355006      2.275670
  C      -9.036860      5.260131      1.484818
  C     -10.150222      4.584767      0.927574
  C      -9.942404      3.489201      0.119441
  C      -8.616058      3.064307     -0.121973
  N      -7.545551      3.656575      0.382024
  C      -7.738845      4.743561      1.173048
  C      -6.495858      2.952503      6.487359
  C      -7.192446      4.211135      5.931861
  C      -8.621969      3.946696      5.493730
  O      -8.539553      2.927505      4.473815
  C      -9.653981      2.503541      3.866603
  C     -10.933560      3.001623      4.066087
  C     -11.999432      2.464525      3.313783
  N     -11.895479      1.499882      2.411067
  C     -10.641685      0.993425      2.209596
  C     -10.451954     -0.028019      1.246350
  C      -9.184381     -0.523947      1.023726
  C      -8.106597     -0.006887      1.775885
  N      -8.238562      0.940325      2.693354
  C      -9.480279      1.446640      2.909429
  H      -4.966183     -1.614155      4.487555
  H      -5.218294     -0.305042      3.312455
  H      -2.588353     -1.869206      3.643715
  H      -3.810727     -2.198604      2.409897
  H      -1.800349     -0.762428      1.663629
  H      -2.427402      0.522257      2.721095
  H      -5.577774      0.796300     -0.299065
  H      -5.634423      2.831663     -1.718513
  H      -1.655442      5.001957     -1.185755
  H       0.449497      4.552595      0.144571
  H       0.576131      2.450035      1.498616
  H      -1.983088      5.370518      3.517066
  H      -2.700409      5.285999      5.131584
  H      -4.312110      6.437681      3.986681
  H      -4.955487      4.795842      3.917754
  H      -3.402223      4.905157      1.580696
  H      -4.125401      6.534501      1.648379
  H      -6.024849      7.144736      2.915921
  H      -8.339922      7.853377      3.349944
  H     -11.149456      4.957184      1.157945
  H     -10.778859      2.943570     -0.318375
  H      -8.432839      2.190393     -0.755832
  H      -6.762784      2.811695      7.552124
  H      -6.897579      2.084606      5.944238
  H      -6.628052      4.550058      5.052003
  H      -7.186188      5.032221      6.665724
  H      -9.085868      4.852325      5.070006
  H      -9.254162      3.575101      6.319542
  H     -11.126802      3.809058      4.770315
  H     -13.004544      2.870017      3.471549
  H     -11.323485     -0.388999      0.697585
  H      -9.003963     -1.304262      0.282813
  H      -7.091138     -0.383978      1.615576
  N      -5.431197      2.317016      3.266751
  H      -5.328931      2.917544      2.447564
  H      -6.353386      1.864348      3.223597
101
Coordinates from ORCA-job orca E -6430.121699556819
  N      -3.936740      0.198373      4.865391
  Mo     -4.129488      2.177927      4.758341
  N      -5.043243      2.952538      6.323451
  C      -4.218284      3.355542      7.456785
  C      -3.147273      2.287844      7.686274
  N      -2.490739      1.963862      6.394845
  C      -2.023571      0.557733      6.331038
  C      -3.184630     -0.362886      5.985677
  C      -1.409693      2.915547      6.035226
  C      -1.381823      3.053227      4.508134
  N      -2.694953      3.461389      4.014342
  H      -2.772977     -1.359170      5.743788
  H      -3.840387     -0.507161      6.868948
  H      -1.282233      0.502185      5.521461
  H      -1.527698      0.262239      7.274584
  H      -0.598947      3.779276      4.215749
  H      -1.097220      2.090914      4.049364
  H      -1.657656      3.890541      6.478354
  H      -0.442163      2.587749      6.459458
  H      -4.824570      3.462602      8.374345
  H      -3.736416      4.337270      7.279332
  H      -3.639108      1.371893      8.044122
  H      -2.400427      2.598423      8.440313
  C      -4.466465     -0.795861      3.937793
  C      -3.392262     -1.413315      3.023908
  C      -2.700291     -0.392246      2.146700
  O      -3.650966      0.006697      1.124696
  C      -3.555240      1.156402      0.431491
  C      -4.679495      1.502084     -0.311014
  C      -4.691411      2.670819     -1.083921
  N      -3.679897      3.525781     -1.178671
  C      -2.565798      3.214003     -0.461172
  C      -1.463065      4.104519     -0.513666
  C      -0.316874      3.820872      0.193077
  C      -0.266327      2.623126      0.941245
  N      -1.264129      1.760162      1.022004
  C      -2.420133      2.037177      0.357474
  C      -2.830157      4.914613      4.067906
  C      -4.160757      5.445889      3.537676
  C      -4.233674      5.509812      2.007926
  O      -5.423808      4.906546      1.438144
  C      -6.626484      5.426242      1.716417
  C      -6.868271      6.561402      2.479604
  C      -8.198941      6.956864      2.726315
  N      -9.280973      6.341629      2.274422
  C      -9.063214      5.248500      1.481375
  C     -10.175407      4.570689      0.925354
  C      -9.966176      3.477654      0.114451
  C      -8.639136      3.057145     -0.130426
  N      -7.569313      3.651797      0.372391
  C      -7.764029      4.736957      1.165787
  C      -6.493624      2.950424      6.480059
  C      -7.191049      4.209660      5.927477
  C      -8.622914      3.946080      5.496027
  O      -8.546135      2.929928      4.473119
  C      -9.664433      2.503452      3.874693
  C     -10.943741      2.998265      4.084091
  C     -12.013613      2.459206      3.338779
  N     -11.913777      1.495802      2.434367
  C     -10.660383      0.992476      2.223352
  C     -10.474969     -0.027612      1.257805
  C      -9.207658     -0.519304      1.024950
  C      -8.125675      0.000139      1.769531
  N      -8.253665      0.945856      2.688914
  C      -9.495152      1.448076      2.915134
  H      -4.971654     -1.608019      4.496338
  H      -5.225839     -0.305760      3.314141
  H      -2.615494     -1.902621      3.635139
  H      -3.843842     -2.201025      2.398722
  H      -1.804195     -0.800632      1.659294
  H      -2.400285      0.485856      2.731796
  H      -5.564424      0.867254     -0.255996
  H      -5.597912      2.927860     -1.637640
  H      -1.565737      5.002395     -1.125790
  H       0.545016      4.489681      0.172478
  H       0.640792      2.367366      1.498856
  H      -2.000592      5.378928      3.492239
  H      -2.713461      5.294288      5.108288
  H      -4.332030      6.441046      3.972543
  H      -4.970064      4.796854      3.904353
  H      -3.426250      4.916234      1.563287
  H      -4.155269      6.543345      1.632999
  H      -6.055208      7.143992      2.906599
  H      -8.371800      7.842218      3.348054
  H     -11.175269      4.939458      1.159072
  H     -10.801762      2.930217     -0.322706
  H      -8.454123      2.185156     -0.765999
  H      -6.759048      2.809913      7.545313
  H      -6.896933      2.082713      5.937936
  H      -6.630753      4.548526      5.045153
  H      -7.181757      5.031015      6.660895
  H      -9.089287      4.852673      5.077248
  H      -9.250767      3.572596      6.324325
  H     -11.133725      3.804854      4.790203
  H     -13.018451      2.862371      3.503708
  H     -11.349673     -0.390968      0.715549
  H      -9.030312     -1.298536      0.282092
  H      -7.110553     -0.373959      1.601539
  N      -5.435207      2.318533      3.259042
  H      -5.334270      2.917959      2.438913
  H      -6.359348      1.869574      3.218965
101
Coordinates from ORCA-job orca E -6430.121824029546
  N      -3.936496      0.206380      4.850248
  Mo     -4.133554      2.185439      4.745451
  N      -5.043186      2.957122      6.313663
  C      -4.216300      3.362565      7.444390
  C      -3.142375      2.296811      7.669456
  N      -2.491314      1.973180      6.375187
  C      -2.021788      0.567321      6.312211
  C      -3.181635     -0.355577      5.968110
  C      -1.412724      2.926074      6.010208
  C      -1.391302      3.061716      4.482874
  N      -2.706289      3.470257      3.993964
  H      -2.766723     -1.349790      5.723483
  H      -3.835092     -0.503558      6.852576
  H      -1.280323      0.511489      5.502810
  H      -1.525748      0.274165      7.256265
  H      -0.608533      3.786187      4.186313
  H      -1.110181      2.098481      4.024168
  H      -1.660327      3.901394      6.452834
  H      -0.443471      2.599733      6.431493
  H      -4.820391      3.465872      8.363958
  H      -3.738301      4.346119      7.266496
  H      -3.632324      1.380379      8.028863
  H      -2.392669      2.607786      8.420406
  C      -4.478703     -0.789303      3.931135
  C      -3.415871     -1.421851      3.013925
  C      -2.701667     -0.411249      2.142359
  O      -3.646257      0.021387      1.129198
  C      -3.530753      1.178171      0.451750
  C      -4.654007      1.561714     -0.273531
  C      -4.646704      2.742222     -1.028094
  N      -3.615552      3.574077     -1.121055
  C      -2.501750      3.224585     -0.420970
  C      -1.378252      4.088868     -0.472889
  C      -0.232447      3.768628      0.218685
  C      -0.203320      2.559726      0.949947
  N      -1.220015      1.718751      1.027554
  C      -2.375770      2.032694      0.379201
  C      -2.839785      4.923778      4.045581
  C      -4.173608      5.455614      3.522316
  C      -4.252673      5.522675      1.992858
  O      -5.441750      4.914360      1.425668
  C      -6.646438      5.423795      1.712572
  C      -6.891382      6.554513      2.481589
  C      -8.223161      6.940763      2.736738
  N      -9.303639      6.321357      2.287476
  C      -9.083354      5.232553      1.488912
  C     -10.194392      4.551324      0.935239
  C      -9.983505      3.462560      0.119206
  C      -8.655501      3.049604     -0.133035
  N      -7.586239      3.648015      0.366914
  C      -7.782781      4.729423      1.165203
  C      -6.493425      2.954709      6.472044
  C      -7.193620      4.211686      5.918298
  C      -8.627358      3.945164      5.494612
  O      -8.554181      2.927846      4.472881
  C      -9.675039      2.496902      3.882629
  C     -10.954906      2.986037      4.101692
  C     -12.027782      2.442460      3.363889
  N     -11.930369      1.479822      2.458529
  C     -10.676419      0.981958      2.238073
  C     -10.493599     -0.036932      1.270820
  C      -9.225852     -0.522423      1.028024
  C      -8.140481      0.002048      1.764218
  N      -8.265998      0.946866      2.684871
  C      -9.508157      1.442696      2.921239
  H      -4.986166     -1.594245      4.498052
  H      -5.238973     -0.297499      3.309847
  H      -2.649230     -1.928355      3.624223
  H      -3.882501     -2.197902      2.385505
  H      -1.816905     -0.835957      1.648490
  H      -2.377748      0.452945      2.735531
  H      -5.553410      0.947769     -0.217030
  H      -5.553790      3.029955     -1.565033
  H      -1.465439      4.996518     -1.072925
  H       0.645958      4.415509      0.196082
  H       0.702525      2.274989      1.495524
  H      -2.012308      5.386460      3.465907
  H      -2.718582      5.304872      5.085021
  H      -4.343258      6.450026      3.959415
  H      -4.979641      4.804766      3.892613
  H      -3.443826      4.933198      1.545853
  H      -4.181134      6.556929      1.618947
  H      -6.079704      7.140116      2.906945
  H      -8.398101      7.822453      3.363175
  H     -11.194995      4.914037      1.175232
  H     -10.818151      2.912473     -0.316429
  H      -8.468420      2.180365     -0.771597
  H      -6.756797      2.817530      7.538343
  H      -6.897321      2.084798      5.933914
  H      -6.638503      4.548441      5.031939
  H      -7.182231      5.035630      6.648758
  H      -9.097673      4.850227      5.076823
  H      -9.250104      3.572054      6.326954
  H     -11.143148      3.791470      4.809536
  H     -13.033215      2.841076      3.536208
  H     -11.370734     -0.404293      0.735214
  H      -9.050348     -1.300569      0.283589
  H      -7.124891     -0.366784      1.587512
  N      -5.446573      2.328462      3.253165
  H      -5.346280      2.924768      2.430703
  H      -6.370079      1.878252      3.214150
101
Coordinates from ORCA-job orca E -6430.121957551019
  N      -3.925899      0.208987      4.835576
  Mo     -4.138581      2.186141      4.737049
  N      -5.046866      2.949888      6.309342
  C      -4.220725      3.359348      7.438916
  C      -3.140425      2.298884      7.657902
  N      -2.494143      1.979664      6.360115
  C      -2.014664      0.576603      6.298157
  C      -3.168244     -0.353574      5.951178
  C      -1.421763      2.938912      5.991241
  C      -1.404367      3.070125      4.463735
  N      -2.721714      3.474565      3.975056
  H      -2.744424     -1.342911      5.701519
  H      -3.820431     -0.511159      6.834960
  H      -1.270610      0.524849      5.491019
  H      -1.519804      0.288454      7.244194
  H      -0.623157      3.794770      4.163367
  H      -1.122932      2.105662      4.007885
  H      -1.674879      3.913547      6.432319
  H      -0.450072      2.619162      6.411704
  H      -4.823761      3.454015      8.360064
  H      -3.750492      4.346979      7.263215
  H      -3.626079      1.380130      8.017229
  H      -2.388336      2.611083      8.405867
  C      -4.478016     -0.787798      3.923154
  C      -3.423384     -1.427782      3.000897
  C      -2.695237     -0.421996      2.134719
  O      -3.640010      0.046373      1.139479
  C      -3.504995      1.207458      0.473770
  C      -4.629930      1.630940     -0.225816
  C      -4.605136      2.821874     -0.963028
  N      -3.553499      3.627182     -1.062740
  C      -2.438237      3.239374     -0.385837
  C      -1.294907      4.076721     -0.441666
  C      -0.148669      3.720429      0.231089
  C      -0.139480      2.502476      0.947423
  N      -1.174926      1.684532      1.027816
  C      -2.330405      2.034298      0.397468
  C      -2.856141      4.927727      4.024663
  C      -4.191404      5.457097      3.502049
  C      -4.270574      5.521685      1.972522
  O      -5.459780      4.911778      1.405916
  C      -6.664989      5.415623      1.699786
  C      -6.910523      6.544558      2.471480
  C      -8.242372      6.926651      2.732390
  N      -9.322750      6.304856      2.286284
  C      -9.102054      5.217325      1.485850
  C     -10.213165      4.533563      0.935536
  C     -10.002470      3.446198      0.117462
  C      -8.674299      3.037346     -0.139900
  N      -7.604732      3.638430      0.356697
  C      -7.801228      4.718384      1.156711
  C      -6.497046      2.951580      6.466878
  C      -7.195550      4.210673      5.916439
  C      -8.631476      3.947219      5.497473
  O      -8.563622      2.931740      4.473874
  C      -9.687593      2.499506      3.890864
  C     -10.966746      2.986975      4.117596
  C     -12.043230      2.440725      3.387011
  N     -11.949895      1.476888      2.482496
  C     -10.696550      0.980453      2.254949
  C     -10.518165     -0.040364      1.289043
  C      -9.251216     -0.525218      1.040553
  C      -8.162029      0.002206      1.769277
  N      -8.283437      0.949520      2.687918
  C      -9.524942      1.444160      2.930106
  H      -4.982162     -1.589858      4.497049
  H      -5.243224     -0.297280      3.307070
  H      -2.663391     -1.948144      3.608107
  H      -3.901322     -2.193736      2.368531
  H      -1.824319     -0.858188      1.626675
  H      -2.345974      0.425905      2.737299
  H      -5.544428      1.041257     -0.159497
  H      -5.515397      3.142156     -1.475260
  H      -1.368388      4.994178     -1.028525
  H       0.744919      4.346008      0.204879
  H       0.765794      2.189408      1.477878
  H      -2.028916      5.389643      3.444301
  H      -2.735927      5.311302      5.063483
  H      -4.361271      6.452043      3.938091
  H      -4.994518      4.804567      3.875291
  H      -3.460823      4.930832      1.528453
  H      -4.199936      6.554927      1.595951
  H      -6.098763      7.131946      2.894203
  H      -8.417154      7.806818      3.360991
  H     -11.213752      4.893545      1.179647
  H     -10.836823      2.894481     -0.316753
  H      -8.486032      2.168976     -0.779469
  H      -6.760425      2.814366      7.533377
  H      -6.903227      2.082833      5.928546
  H      -6.644187      4.547387      5.027760
  H      -7.180461      5.034128      6.647450
  H      -9.102012      4.853818      5.082978
  H      -9.251431      3.573829      6.331688
  H     -11.151752      3.792681      4.825935
  H     -13.048348      2.837735      3.565154
  H     -11.398041     -0.409778      0.759395
  H      -9.078836     -1.305002      0.297202
  H      -7.147008     -0.366119      1.587337
  N      -5.461385      2.334933      3.254132
  H      -5.357943      2.925434      2.427679
  H      -6.385168      1.885098      3.214569
101
Coordinates from ORCA-job orca E -6430.122111767082
  N      -3.925480      0.214685      4.823056
  Mo     -4.145175      2.191072      4.727383
  N      -5.049912      2.951823      6.302980
  C      -4.221244      3.364196      7.429688
  C      -3.137707      2.306189      7.645170
  N      -2.496123      1.987549      6.344756
  C      -2.013085      0.585547      6.282629
  C      -3.165309     -0.347161      5.937370
  C      -1.426969      2.949139      5.971761
  C      -1.413492      3.077788      4.444174
  N      -2.732988      3.479706      3.957642
  H      -2.739680     -1.335434      5.686610
  H      -3.815811     -0.506367      6.822057
  H      -1.270003      0.535048      5.474559
  H      -1.516448      0.299529      7.228312
  H      -0.634009      3.802751      4.140286
  H      -1.132038      2.112825      3.989446
  H      -1.681830      3.923680      6.412110
  H      -0.453417      2.632624      6.390302
  H      -4.821534      3.457580      8.352682
  H      -3.754054      4.352884      7.251929
  H      -3.620487      1.386854      8.006842
  H      -2.382913      2.619996      8.389681
  C      -4.482918     -0.782638      3.914430
  C      -3.433291     -1.432849      2.993377
  C      -2.688430     -0.434903      2.132388
  O      -3.626500      0.060639      1.144565
  C      -3.473927      1.227204      0.492130
  C      -4.597258      1.683787     -0.188655
  C      -4.554297      2.881880     -0.913377
  N      -3.485382      3.663733     -1.017730
  C      -2.371418      3.243922     -0.357903
  C      -1.210271      4.056071     -0.418243
  C      -0.064817      3.667011      0.237394
  C      -0.074866      2.441567      0.940565
  N      -1.127430      1.646004      1.024638
  C      -2.281972      2.028634      0.411842
  C      -2.868186      4.932921      4.005151
  C      -4.207162      5.460259      3.489571
  C      -4.293565      5.527285      1.960433
  O      -5.482904      4.914644      1.396303
  C      -6.689386      5.411628      1.696763
  C      -6.938124      6.535432      2.475009
  C      -8.270948      6.909657      2.742050
  N      -9.349726      6.284982      2.295811
  C      -9.126088      5.202990      1.488744
  C     -10.235559      4.517181      0.937678
  C     -10.022203      3.435489      0.112625
  C      -8.692969      3.034605     -0.151128
  N      -7.624669      3.638111      0.345745
  C      -7.823838      4.712218      1.153021
  C      -6.499606      2.952449      6.464559
  C      -7.201288      4.211550      5.918372
  C      -8.638801      3.946636      5.505273
  O      -8.573726      2.933941      4.478749
  C      -9.699549      2.498301      3.902012
  C     -10.979224      2.980435      4.137147
  C     -12.057831      2.431190      3.411973
  N     -11.966106      1.469262      2.505230
  C     -10.712229      0.977934      2.269565
  C     -10.535522     -0.040580      1.300957
  C      -9.268157     -0.520194      1.044339
  C      -8.176762      0.010347      1.767448
  N      -8.296522      0.955751      2.688351
  C      -9.538513      1.444998      2.938703
  H      -4.990746     -1.580376      4.491308
  H      -5.246170     -0.290048      3.297759
  H      -2.682116     -1.966101      3.600305
  H      -3.920468     -2.190013      2.357269
  H      -1.827965     -0.884424      1.618191
  H      -2.320180      0.400787      2.740619
  H      -5.524490      1.115067     -0.116176
  H      -5.464213      3.228838     -1.408256
  H      -1.269872      4.981168     -0.994631
  H       0.842204      4.272809      0.207831
  H       0.829573      2.102045      1.455827
  H      -2.044853      5.393908      3.418482
  H      -2.741580      5.318818      5.042351
  H      -4.376677      6.454289      3.927961
  H      -5.006901      4.805563      3.866287
  H      -3.483448      4.940619      1.511663
  H      -4.228410      6.561581      1.585819
  H      -6.127822      7.124370      2.898240
  H      -8.448038      7.785494      3.375987
  H     -11.237082      4.871085      1.186792
  H     -10.855125      2.882478     -0.322660
  H      -8.501950      2.171038     -0.796418
  H      -6.759952      2.813423      7.531629
  H      -6.906522      2.084127      5.926123
  H      -6.654438      4.549854      5.027489
  H      -7.184051      5.034033      6.650403
  H      -9.113110      4.853353      5.095398
  H      -9.253865      3.569628      6.341499
  H     -11.163135      3.784275      4.847889
  H     -13.063445      2.823932      3.596697
  H     -11.417048     -0.412366      0.775745
  H      -9.097023     -1.297924      0.298546
  H      -7.161319     -0.353493      1.578635
  N      -5.476141      2.343410      3.252276
  H      -5.369947      2.928252      2.422183
  H      -6.401233      1.896130      3.215493
101
Coordinates from ORCA-job orca E -6430.122275527892
  N      -3.924187      0.220873      4.810366
  Mo     -4.152480      2.196261      4.719081
  N      -5.054161      2.952751      6.298340
  C      -4.223242      3.367913      7.422507
  C      -3.136001      2.312749      7.634090
  N      -2.499014      1.995458      6.330864
  C      -2.011548      0.594853      6.268053
  C      -3.161908     -0.340648      5.923535
  C      -1.433434      2.960094      5.954485
  C      -1.423037      3.086226      4.426883
  N      -2.744682      3.485046      3.941539
  H      -2.734220     -1.327689      5.671362
  H      -3.811173     -0.502012      6.808656
  H      -1.269165      0.546462      5.459268
  H      -1.513305      0.310905      7.213443
  H      -0.645525      3.811876      4.119797
  H      -1.140833      2.120812      3.973557
  H      -1.690964      3.934258      6.394206
  H      -0.458010      2.647437      6.371511
  H      -4.820883      3.459458      8.347269
  H      -3.759457      4.357888      7.243169
  H      -3.615492      1.392569      7.997895
  H      -2.378491      2.628237      8.375073
  C      -4.486769     -0.776414      3.904883
  C      -3.441734     -1.436344      2.985266
  C      -2.681268     -0.445995      2.129144
  O      -3.612746      0.076872      1.149867
  C      -3.441769      1.247565      0.509052
  C      -4.562436      1.736344     -0.153091
  C      -4.500481      2.939608     -0.867911
  N      -3.414544      3.696842     -0.979151
  C      -2.303004      3.246291     -0.335569
  C      -1.124515      4.032528     -0.402144
  C       0.019072      3.611620      0.236733
  C      -0.010921      2.380588      0.929114
  N      -1.080373      1.608324      1.019037
  C      -2.232811      2.022847      0.423191
  C      -2.881269      4.938173      3.987797
  C      -4.223617      5.462955      3.478274
  C      -4.316261      5.532180      1.949516
  O      -5.505556      4.917184      1.386860
  C      -6.713477      5.407000      1.693951
  C      -6.966060      6.524956      2.479458
  C      -8.299998      6.890555      2.752517
  N      -9.376818      6.262797      2.305368
  C      -9.149551      5.187138      1.490972
  C     -10.256903      4.499097      0.938342
  C     -10.040116      3.423827      0.105553
  C      -8.709629      3.031921     -0.164537
  N      -7.643044      3.638109      0.333333
  C      -7.845617      4.705499      1.148673
  C      -6.503341      2.952517      6.463891
  C      -7.207945      4.212209      5.923045
  C      -8.647053      3.946338      5.515455
  O      -8.584758      2.937106      4.485324
  C      -9.712243      2.498317      3.914443
  C     -10.992404      2.975153      4.157707
  C     -12.072906      2.423153      3.437512
  N     -11.982615      1.463334      2.528326
  C     -10.728224      0.977077      2.284828
  C     -10.553005     -0.038935      1.313373
  C      -9.285245     -0.513513      1.049091
  C      -8.191884      0.019879      1.767083
  N      -8.310173      0.963264      2.690360
  C      -9.552621      1.447223      2.948445
  H      -4.998478     -1.570234      4.483982
  H      -5.247793     -0.281388      3.287683
  H      -2.699183     -1.982082      3.591539
  H      -3.937687     -2.184909      2.345432
  H      -1.832191     -0.908588      1.607579
  H      -2.293579      0.376849      2.742648
  H      -5.502052      1.189356     -0.072988
  H      -5.409188      3.312420     -1.345659
  H      -1.169716      4.964054     -0.969460
  H       0.939028      4.197395      0.203157
  H       0.891912      2.015219      1.429020
  H      -2.061675      5.398727      3.395445
  H      -2.749044      5.326107      5.023526
  H      -4.393285      6.456017      3.918980
  H      -5.020096      4.805919      3.857882
  H      -3.505581      4.949703      1.496331
  H      -4.256073      6.567556      1.577045
  H      -6.157540      7.115468      2.903754
  H      -8.479886      7.761451      3.392373
  H     -11.259570      4.846200      1.192370
  H     -10.871169      2.869491     -0.331576
  H      -8.515188      2.173860     -0.816252
  H      -6.760815      2.810609      7.531333
  H      -6.911040      2.085261      5.924365
  H      -6.665561      4.552738      5.030237
  H      -7.188389      5.033000      6.656894
  H      -9.124907      4.853527      5.110834
  H      -9.257309      3.565096      6.353301
  H     -11.175363      3.776954      4.871009
  H     -13.078989      2.811617      3.628647
  H     -11.436010     -0.412757      0.792126
  H      -9.115216     -1.289029      0.300742
  H      -7.176044     -0.339595      1.571708
  N      -5.492545      2.353801      3.252778
  H      -5.381931      2.931192      2.418075
  H      -6.419202      1.909646      3.218661
101
Coordinates from ORCA-job orca E -6430.122411406101
  N      -3.923895      0.228677      4.797281
  Mo     -4.160252      2.203110      4.711499
  N      -5.059495      2.954615      6.294311
  C      -4.226696      3.371772      7.416565
  C      -3.135944      2.319217      7.624189
  N      -2.503161      2.003646      6.318212
  C      -2.011559      0.604375      6.254216
  C      -3.160211     -0.333274      5.909438
  C      -1.440619      2.971111      5.939429
  C      -1.432422      3.095082      4.411854
  N      -2.755884      3.491553      3.927345
  H      -2.730953     -1.319232      5.655675
  H      -3.808762     -0.496723      6.794610
  H      -1.269570      0.558322      5.445003
  H      -1.512211      0.321943      7.199399
  H      -0.656483      3.821145      4.102004
  H      -1.149766      2.129153      3.959864
  H      -1.700823      3.944832      6.378665
  H      -0.463657      2.661931      6.355391
  H      -4.822045      3.461173      8.342864
  H      -3.766073      4.363041      7.236390
  H      -3.612369      1.398165      7.989713
  H      -2.375863      2.636038      8.361903
  C      -4.492228     -0.767988      3.894757
  C      -3.452498     -1.437229      2.975749
  C      -2.677240     -0.454405      2.124346
  O      -3.602216      0.096431      1.154977
  C      -3.411368      1.269661      0.524029
  C      -4.527715      1.790289     -0.120473
  C      -4.444778      2.996173     -0.828906
  N      -3.341828      3.727348     -0.948227
  C      -2.234506      3.246866     -0.319020
  C      -1.038865      4.006118     -0.392304
  C       0.101321      3.553544      0.230756
  C       0.050056      2.318156      0.913698
  N      -1.036400      1.570645      1.010657
  C      -2.185225      2.016967      0.430927
  C      -2.892991      4.944676      3.973113
  C      -4.238111      5.468159      3.469509
  C      -4.336692      5.540289      1.941209
  O      -5.525270      4.922053      1.379594
  C      -6.734888      5.403829      1.693567
  C      -6.991638      6.516277      2.485613
  C      -8.326696      6.872805      2.764670
  N      -9.401325      6.241217      2.317146
  C      -9.170159      5.171432      1.496254
  C     -10.275217      4.480506      0.942585
  C     -10.054778      3.411047      0.103035
  C      -8.723049      3.028008     -0.172723
  N      -7.658246      3.637582      0.325534
  C      -7.864452      4.699100      1.147716
  C      -6.508260      2.953291      6.463000
  C      -7.215766      4.212929      5.926133
  C      -8.656319      3.945430      5.524027
  O      -8.596283      2.938324      4.491574
  C      -9.724980      2.496121      3.925941
  C     -11.005707      2.967811      4.176318
  C     -12.087681      2.412617      3.460896
  N     -11.998399      1.454261      2.550000
  C     -10.743430      0.972930      2.299608
  C     -10.569352     -0.041310      1.326157
  C      -9.301155     -0.510974      1.054972
  C      -8.206111      0.026053      1.767594
  N      -8.323210      0.968086      2.692595
  C      -9.566238      1.446689      2.957841
  H      -5.007551     -1.558178      4.475883
  H      -5.251250     -0.270070      3.277732
  H      -2.718314     -1.995614      3.580483
  H      -3.957599     -2.176795      2.332261
  H      -1.840626     -0.929886      1.594140
  H      -2.269265      0.354532      2.742987
  H      -5.479901      1.267023     -0.030726
  H      -5.350681      3.394140     -1.291246
  H      -1.068524      4.942985     -0.951832
  H       1.034078      4.118462      0.192844
  H       0.950190      1.926747      1.398329
  H      -2.076740      5.404392      3.375343
  H      -2.755043      5.334074      5.007508
  H      -4.407297      6.460165      3.912968
  H      -5.031904      4.809198      3.851468
  H      -3.524819      4.963183      1.483300
  H      -4.282383      6.576988      1.571497
  H      -6.185046      7.109096      2.910250
  H      -8.509614      7.739087      3.409824
  H     -11.279062      4.820822      1.201075
  H     -10.883826      2.854971     -0.335627
  H      -8.525188      2.174776     -0.829886
  H      -6.763478      2.809248      7.530725
  H      -6.916210      2.086587      5.922831
  H      -6.677797      4.554859      5.031135
  H      -7.194027      5.032671      6.661076
  H      -9.137681      4.852441      5.123305
  H      -9.261931      3.560952      6.363798
  H     -11.188070      3.768005      4.891603
  H     -13.094274      2.796914      3.657676
  H     -11.453619     -0.417621      0.808872
  H      -9.131993     -1.284858      0.304728
  H      -7.189879     -0.329032      1.565950
  N      -5.509959      2.366726      3.254616
  H      -5.393982      2.935007      2.414467
  H      -6.437333      1.924134      3.222233
101
Coordinates from ORCA-job orca E -6430.122489418841
  N      -3.917395      0.237162      4.781979
  Mo     -4.174207      2.208729      4.714728
  N      -5.080359      2.944047      6.302347
  C      -4.249031      3.360213      7.427187
  C      -3.151161      2.313721      7.630721
  N      -2.517057      2.007227      6.322566
  C      -2.015614      0.611946      6.251653
  C      -3.158537     -0.328157      5.896492
  C      -1.458622      2.982617      5.952181
  C      -1.441322      3.107220      4.425229
  N      -2.765016      3.496744      3.931110
  H      -2.728001     -1.313102      5.640660
  H      -3.812740     -0.495678      6.776435
  H      -1.271639      0.576180      5.443956
  H      -1.516866      0.327743      7.196574
  H      -0.668810      3.837894      4.118153
  H      -1.150518      2.142072      3.976056
  H      -1.729224      3.953200      6.392259
  H      -0.481238      2.680760      6.372640
  H      -4.844776      3.444599      8.353129
  H      -3.792777      4.354207      7.251019
  H      -3.620549      1.388922      7.995432
  H      -2.390928      2.633661      8.366854
  C      -4.484321     -0.752296      3.871657
  C      -3.437400     -1.420741      2.960688
  C      -2.664678     -0.435072      2.109981
  O      -3.591308      0.127006      1.148819
  C      -3.383346      1.293782      0.509258
  C      -4.493967      1.827626     -0.133429
  C      -4.390863      3.021632     -0.859972
  N      -3.275531      3.730771     -0.993837
  C      -2.174612      3.240700     -0.359789
  C      -0.967039      3.978752     -0.444881
  C       0.169048      3.507989      0.172214
  C       0.099560      2.279353      0.864786
  N      -1.001558      1.555894      0.981556
  C      -2.144719      2.019056      0.403957
  C      -2.909506      4.948742      3.988319
  C      -4.250449      5.468431      3.473679
  C      -4.335105      5.547223      1.945348
  O      -5.517110      4.928022      1.370168
  C      -6.730639      5.400990      1.686892
  C      -6.995903      6.507338      2.484218
  C      -8.333154      6.852304      2.765623
  N      -9.402984      6.212331      2.316808
  C      -9.163267      5.147866      1.492134
  C     -10.263015      4.447054      0.939946
  C     -10.033448      3.380524      0.098435
  C      -8.699133      3.011659     -0.182079
  N      -7.638523      3.632077      0.313184
  C      -7.853751      4.689429      1.138866
  C      -6.528541      2.942100      6.475222
  C      -7.235464      4.207772      5.952124
  C      -8.678208      3.945908      5.553230
  O      -8.622788      2.944114      4.515186
  C      -9.752376      2.505061      3.949355
  C     -11.032203      2.980141      4.197908
  C     -12.114663      2.426602      3.482219
  N     -12.026798      1.466311      2.572687
  C     -10.772600      0.981404      2.324890
  C     -10.599460     -0.035961      1.354583
  C      -9.331948     -0.511189      1.088292
  C      -8.236990      0.025421      1.801099
  N      -8.352967      0.971074      2.722544
  C      -9.595157      1.453588      2.983586
  H      -5.008879     -1.544628      4.442046
  H      -5.234653     -0.246853      3.250783
  H      -2.703868     -1.980938      3.563531
  H      -3.939795     -2.160566      2.314223
  H      -1.838158     -0.915959      1.568079
  H      -2.245957      0.368637      2.727728
  H      -5.455607      1.324168     -0.034397
  H      -5.292538      3.426833     -1.326062
  H      -0.983317      4.913769     -1.007967
  H       1.110023      4.058944      0.131700
  H       0.997713      1.871178      1.337976
  H      -2.091308      5.415179      3.397618
  H      -2.778913      5.332666      5.025294
  H      -4.427877      6.457109      3.922014
  H      -5.046822      4.805070      3.842940
  H      -3.516806      4.979167      1.485925
  H      -4.282147      6.587251      1.584055
  H      -6.193017      7.104912      2.909593
  H      -8.522842      7.714264      3.414293
  H     -11.269644      4.776562      1.201370
  H     -10.857991      2.817362     -0.339598
  H      -8.494807      2.161807     -0.841893
  H      -6.781894      2.784991      7.541362
  H      -6.938003      2.082550      5.924948
  H      -6.699475      4.554521      5.057516
  H      -7.208441      5.020473      6.694714
  H      -9.158767      4.856368      5.160028
  H      -9.281355      3.555721      6.392169
  H     -11.213487      3.781649      4.912158
  H     -13.120455      2.813557      3.677585
  H     -11.483717     -0.410282      0.835889
  H      -9.163668     -1.287649      0.340544
  H      -7.221304     -0.333100      1.602855
  N      -5.538667      2.389470      3.271558
  H      -5.402862      2.932524      2.417928
  H      -6.466631      1.948178      3.238511
101
Coordinates from ORCA-job orca E -6430.122570555533
  N      -3.918789      0.246138      4.764904
  Mo     -4.177355      2.217830      4.701469
  N      -5.079876      2.950541      6.292037
  C      -4.245639      3.366150      7.414868
  C      -3.146264      2.320389      7.613856
  N      -2.516231      2.015399      6.303378
  C      -2.013785      0.620492      6.230205
  C      -3.156239     -0.320370      5.876099
  C      -1.459766      2.991847      5.930071
  C      -1.446685      3.116325      4.403090
  N      -2.771966      3.505922      3.913163
  H      -2.724602     -1.303888      5.616951
  H      -3.807844     -0.490871      6.757551
  H      -1.271014      0.586030      5.421391
  H      -1.513428      0.335790      7.174047
  H      -0.675019      3.846785      4.093630
  H      -1.157309      2.151298      3.953052
  H      -1.730291      3.962273      6.370511
  H      -0.481029      2.691042      6.348181
  H      -4.838906      3.448695      8.342676
  H      -3.790925      4.360873      7.238644
  H      -3.613914      1.394847      7.979046
  H      -2.383884      2.640101      8.347830
  C      -4.498231     -0.743723      3.862731
  C      -3.463896     -1.426086      2.947732
  C      -2.671286     -0.451389      2.103270
  O      -3.588979      0.142519      1.152706
  C      -3.359194      1.312564      0.527071
  C      -4.461489      1.878226     -0.102897
  C      -4.336280      3.078118     -0.816203
  N      -3.206405      3.764749     -0.947164
  C      -2.113095      3.243403     -0.324760
  C      -0.891025      3.957694     -0.405178
  C       0.237697      3.455992      0.201266
  C       0.146286      2.218772      0.875990
  N      -0.969037      1.516519      0.987525
  C      -2.105425      2.011497      0.422902
  C      -2.914756      4.958699      3.967508
  C      -4.260423      5.480099      3.465635
  C      -4.358279      5.564271      1.938266
  O      -5.538653      4.936387      1.369547
  C      -6.753883      5.399788      1.692627
  C      -7.022905      6.503149      2.492846
  C      -8.361194      6.840080      2.778804
  N      -9.428702      6.195998      2.330738
  C      -9.185694      5.134885      1.502624
  C     -10.283345      4.432198      0.948982
  C     -10.050742      3.369835      0.103199
  C      -8.715422      3.006247     -0.179350
  N      -7.656362      3.628654      0.316957
  C      -7.874721      4.682889      1.146174
  C      -6.527851      2.948313      6.467101
  C      -7.236471      4.211728      5.940934
  C      -8.680608      3.947689      5.548691
  O      -8.628028      2.942823      4.513448
  C      -9.759201      2.498664      3.954712
  C     -11.039374      2.969157      4.210115
  C     -12.123935      2.410042      3.501947
  N     -12.037837      1.448266      2.593859
  C     -10.783313      0.967807      2.339316
  C     -10.612212     -0.050956      1.370094
  C      -9.344461     -0.520768      1.095826
  C      -8.247050      0.022703      1.799460
  N      -8.360912      0.969530      2.720073
  C      -9.603612      1.446258      2.989511
  H      -5.025537     -1.529136      4.440290
  H      -5.248378     -0.235204      3.244143
  H      -2.740978     -2.003822      3.546950
  H      -3.981167     -2.152290      2.297770
  H      -1.859073     -0.947026      1.553103
  H      -2.229851      0.334896      2.727376
  H      -5.434196      1.396897     -0.001607
  H      -5.231592      3.508111     -1.271847
  H      -0.890492      4.899927     -0.956339
  H       1.189796      3.987654      0.163146
  H       1.038356      1.785057      1.338624
  H      -2.101957      5.422439      3.367387
  H      -2.772913      5.344362      5.002328
  H      -4.434140      6.467563      3.918023
  H      -5.053531      4.815654      3.839936
  H      -3.538783      5.005914      1.470095
  H      -4.317775      6.606003      1.580448
  H      -6.222045      7.104216      2.917161
  H      -8.553834      7.699496      3.430030
  H     -11.290905      4.757361      1.212238
  H     -10.873686      2.805709     -0.336551
  H      -8.509077      2.159201     -0.842015
  H      -6.779497      2.794987      7.534171
  H      -6.937826      2.086480      5.920770
  H      -6.703990      4.554414      5.042741
  H      -7.206719      5.027558      6.679940
  H      -9.163888      4.856215      5.154410
  H      -9.279879      3.559613      6.391427
  H     -11.219435      3.771351      4.923906
  H     -13.130056      2.793406      3.702613
  H     -11.498316     -0.430663      0.858456
  H      -9.177811     -1.298059      0.348536
  H      -7.231149     -0.330831      1.593955
  N      -5.548918      2.401968      3.265483
  H      -5.412086      2.940324      2.409190
  H      -6.476809      1.960940      3.234279
101
Coordinates from ORCA-job orca E -6430.122634598860
  N      -3.922278      0.251286      4.745816
  Mo     -4.173464      2.224612      4.682774
  N      -5.072502      2.959159      6.274728
  C      -4.234013      3.370333      7.395685
  C      -3.136600      2.322313      7.591339
  N      -2.508496      2.017604      6.280344
  C      -2.011077      0.621195      6.203904
  C      -3.155751     -0.317093      5.852677
  C      -1.451063      2.991413      5.905089
  C      -1.443072      3.119152      4.378015
  N      -2.768503      3.512401      3.894729
  H      -2.725571     -1.300184      5.590086
  H      -3.804026     -0.489191      6.736690
  H      -1.270600      0.585719      5.392996
  H      -1.508648      0.332415      7.145410
  H      -0.670869      3.848736      4.067896
  H      -1.157106      2.155096      3.924238
  H      -1.716882      3.962231      6.347347
  H      -0.471883      2.687064      6.319898
  H      -4.825059      3.453092      8.325287
  H      -3.777345      4.364409      7.220133
  H      -3.604519      1.396500      7.955857
  H      -2.373573      2.640363      8.325401
  C      -4.518092     -0.738570      3.854131
  C      -3.498208     -1.435693      2.934219
  C      -2.688184     -0.470364      2.095865
  O      -3.597722      0.140316      1.146424
  C      -3.355855      1.314732      0.534846
  C      -4.447839      1.889019     -0.106500
  C      -4.310500      3.097923     -0.802036
  N      -3.178577      3.785971     -0.905737
  C      -2.094810      3.253648     -0.275519
  C      -0.870458      3.966179     -0.330167
  C       0.249177      3.455046      0.285847
  C       0.146688      2.208027      0.941574
  N      -0.971180      1.506426      1.026415
  C      -2.099568      2.011383      0.454549
  C      -2.908359      4.966484      3.947725
  C      -4.256980      5.493883      3.458589
  C      -4.367331      5.587593      1.932532
  O      -5.544181      4.948608      1.371738
  C      -6.760458      5.405673      1.696736
  C      -7.030356      6.511558      2.492968
  C      -8.369086      6.846062      2.780027
  N      -9.435434      6.198089      2.336317
  C      -9.191999      5.133584      1.512324
  C     -10.289182      4.427916      0.962224
  C     -10.055928      3.362570      0.121005
  C      -8.720354      2.997650     -0.159638
  N      -7.661475      3.622529      0.333142
  C      -7.880732      4.681524      1.156620
  C      -6.520239      2.956670      6.453461
  C      -7.229185      4.216171      5.918134
  C      -8.674567      3.951114      5.532741
  O      -8.626185      2.937131      4.506386
  C      -9.759375      2.489926      3.953865
  C     -11.038557      2.962304      4.210379
  C     -12.125596      2.398748      3.509392
  N     -12.042665      1.430775      2.607690
  C     -10.789170      0.948537      2.352145
  C     -10.621379     -0.077134      1.389504
  C      -9.354594     -0.547707      1.112977
  C      -8.254669      0.001507      1.808103
  N      -8.365200      0.954278      2.722718
  C      -9.607131      1.431672      2.994657
  H      -5.050002     -1.514319      4.440395
  H      -5.266850     -0.225920      3.236828
  H      -2.784619     -2.028583      3.530188
  H      -4.028651     -2.149449      2.282064
  H      -1.882247     -0.975574      1.545252
  H      -2.236616      0.306009      2.725005
  H      -5.423204      1.409114     -0.026506
  H      -5.196931      3.533150     -1.269972
  H      -0.860213      4.914659     -0.870326
  H       1.203158      3.984189      0.264993
  H       1.031451      1.766683      1.412350
  H      -2.099770      5.428475      3.341122
  H      -2.756196      5.350399      4.981557
  H      -4.425842      6.479498      3.916354
  H      -5.049340      4.829618      3.834621
  H      -3.546313      5.041718      1.453666
  H      -4.341785      6.631608      1.580285
  H      -6.230275      7.116441      2.913706
  H      -8.562992      7.707811      3.428056
  H     -11.296971      4.753298      1.224316
  H     -10.878897      2.796052     -0.315626
  H      -8.515531      2.146992     -0.817577
  H      -6.768906      2.812125      7.522271
  H      -6.931943      2.090271      5.915623
  H      -6.697701      4.548976      5.015881
  H      -7.196079      5.038966      6.649202
  H      -9.157927      4.856523      5.131546
  H      -9.272399      3.571868      6.380545
  H     -11.215999      3.769544      4.919123
  H     -13.130884      2.783940      3.710498
  H     -11.509285     -0.461733      0.884530
  H      -9.190711     -1.330490      0.370789
  H      -7.239487     -0.352195      1.600714
  N      -5.545989      2.407115      3.247043
  H      -5.412345      2.946891      2.391244
  H      -6.472514      1.963564      3.217381
101
Coordinates from ORCA-job orca E -6430.122731158798
  N      -3.924542      0.251060      4.742999
  Mo     -4.183907      2.223863      4.685418
  N      -5.076048      2.950855      6.285427
  C      -4.231261      3.358232      7.402607
  C      -3.128692      2.314466      7.586611
  N      -2.504782      2.020443      6.271867
  C      -2.003757      0.626088      6.185665
  C      -3.147634     -0.315787      5.842723
  C      -1.455570      3.001173      5.893596
  C      -1.460502      3.138217      4.366817
  N      -2.791300      3.524064      3.894875
  H      -2.715596     -1.296740      5.575001
  H      -3.788179     -0.492437      6.731721
  H      -1.270631      0.596271      5.367812
  H      -1.491220      0.333972      7.120774
  H      -0.695774      3.875632      4.056336
  H      -1.169997      2.179584      3.904829
  H      -1.721574      3.968544      6.343098
  H      -0.471791      2.698959      6.299141
  H      -4.816234      3.434476      8.336829
  H      -3.779376      4.354976      7.229444
  H      -3.588796      1.383369      7.947794
  H      -2.365122      2.633141      8.319964
  C      -4.518922     -0.738837      3.850332
  C      -3.497715     -1.437613      2.932712
  C      -2.680590     -0.472893      2.099953
  O      -3.584538      0.136232      1.142993
  C      -3.331305      1.306304      0.528886
  C      -4.421623      1.900765     -0.097127
  C      -4.277425      3.121611     -0.769711
  N      -3.140405      3.801868     -0.867586
  C      -2.055637      3.243266     -0.262019
  C      -0.821983      3.938830     -0.322036
  C       0.299187      3.400437      0.267725
  C       0.186939      2.145441      0.907098
  N      -0.940123      1.459519      0.996473
  C      -2.067970      1.988384      0.445462
  C      -2.942657      4.977225      3.951719
  C      -4.291065      5.500199      3.457106
  C      -4.392455      5.609879      1.931220
  O      -5.561699      4.967527      1.360367
  C      -6.781664      5.419024      1.677978
  C      -7.058808      6.527135      2.468511
  C      -8.400129      6.856285      2.750355
  N      -9.461657      6.197881      2.311244
  C      -9.211038      5.127922      1.496215
  C     -10.303248      4.405958      0.957517
  C     -10.062279      3.332855      0.128763
  C      -8.723959      2.977979     -0.152951
  N      -7.669750      3.618250      0.328818
  C      -7.896822      4.683866      1.141488
  C      -6.522558      2.945480      6.472390
  C      -7.233478      4.209262      5.949448
  C      -8.678011      3.946955      5.560949
  O      -8.627130      2.942862      4.525153
  C      -9.758640      2.501662      3.964581
  C     -11.038184      2.973483      4.219750
  C     -12.123188      2.415741      3.510925
  N     -12.037724      1.453495      2.603362
  C     -10.783613      0.972591      2.348430
  C     -10.613282     -0.048851      1.381651
  C      -9.345926     -0.518979      1.107317
  C      -8.247905      0.025343      1.809585
  N      -8.360929      0.973416      2.728533
  C      -9.603473      1.451165      2.997668
  H      -5.054726     -1.512359      4.435519
  H      -5.264450     -0.225074      3.229622
  H      -2.787503     -2.032412      3.531281
  H      -4.025827     -2.149533      2.277358
  H      -1.869553     -0.977372      1.556613
  H      -2.237379      0.306069      2.731994
  H      -5.400537      1.427610     -0.022851
  H      -5.161731      3.574060     -1.225731
  H      -0.804659      4.895777     -0.846765
  H       1.260974      3.914751      0.239017
  H       1.069607      1.687227      1.365878
  H      -2.132953      5.449205      3.354898
  H      -2.800554      5.355468      4.988940
  H      -4.470165      6.480309      3.922453
  H      -5.082839      4.827720      3.819482
  H      -3.565834      5.074411      1.450159
  H      -4.373242      6.657535      1.589573
  H      -6.263038      7.138259      2.888648
  H      -8.600271      7.721547      3.391962
  H     -11.313303      4.723687      1.220213
  H     -10.881387      2.752886     -0.297494
  H      -8.514616      2.121887     -0.802007
  H      -6.764809      2.793225      7.541508
  H      -6.937085      2.082812      5.930562
  H      -6.700807      4.550245      5.051104
  H      -7.200872      5.025824      6.687590
  H      -9.161448      4.855650      5.167162
  H      -9.277216      3.560328      6.404340
  H     -11.217374      3.776203      4.933130
  H     -13.128795      2.800822      3.710694
  H     -11.499835     -0.432164      0.873258
  H      -9.180464     -1.299621      0.363332
  H      -7.232465     -0.330411      1.606502
  N      -5.564247      2.394577      3.255200
  H      -5.445504      2.941636      2.401707
  H      -6.488629      1.945486      3.234410
101
Coordinates from ORCA-job orca E -6430.122563992228
  N      -3.917253      0.250770      4.727970
  Mo     -4.183637      2.222638      4.672288
  N      -5.078851      2.945817      6.273426
  C      -4.233461      3.353400      7.390106
  C      -3.128465      2.312693      7.573607
  N      -2.501215      2.022736      6.259959
  C      -1.998284      0.629483      6.171324
  C      -3.141088     -0.313824      5.829259
  C      -1.454685      3.006517      5.883852
  C      -1.459845      3.147009      4.357344
  N      -2.792071      3.527289      3.885219
  H      -2.708766     -1.295228      5.563378
  H      -3.782306     -0.489725      6.717880
  H      -1.266446      0.602043      5.352253
  H      -1.483331      0.335976      7.104807
  H      -0.698818      3.889467      4.049598
  H      -1.163409      2.190996      3.893411
  H      -1.722606      3.972373      6.335536
  H      -0.470056      2.705975      6.288581
  H      -4.817478      3.428275      8.324972
  H      -3.783839      4.351328      7.217708
  H      -3.584631      1.379086      7.933088
  H      -2.367795      2.633769      8.309082
  C      -4.506188     -0.738412      3.831204
  C      -3.477768     -1.438787      2.922949
  C      -2.656223     -0.471763      2.097023
  O      -3.557680      0.138406      1.137721
  C      -3.303309      1.314824      0.536543
  C      -4.395193      1.923574     -0.072437
  C      -4.251829      3.160702     -0.714728
  N      -3.115348      3.844038     -0.797241
  C      -2.026924      3.266002     -0.216348
  C      -0.789975      3.955428     -0.273931
  C       0.335757      3.393259      0.284295
  C       0.222612      2.125021      0.896934
  N      -0.908648      1.445843      0.986857
  C      -2.038511      1.993970      0.458964
  C      -2.953440      4.978743      3.949386
  C      -4.298760      5.495775      3.442037
  C      -4.382160      5.625846      1.916717
  O      -5.542070      4.984886      1.325796
  C      -6.767864      5.419667      1.645665
  C      -7.057966      6.506219      2.460996
  C      -8.403551      6.818683      2.741993
  N      -9.457101      6.161178      2.282440
  C      -9.193172      5.111457      1.445608
  C     -10.276363      4.388970      0.889242
  C     -10.021313      3.334494      0.040826
  C      -8.678483      3.001979     -0.246956
  N      -7.632519      3.644205      0.249675
  C      -7.873535      4.688321      1.085821
  C      -6.524529      2.938595      6.465796
  C      -7.238497      4.204703      5.951980
  C      -8.688373      3.947068      5.580791
  O      -8.655208      2.939566      4.547724
  C      -9.796239      2.499303      4.006182
  C     -11.070148      2.977837      4.276399
  C     -12.167115      2.419907      3.586509
  N     -12.097794      1.452288      2.683087
  C     -10.849060      0.965735      2.412911
  C     -10.695115     -0.058381      1.446229
  C      -9.433051     -0.533727      1.156150
  C      -8.323764      0.008147      1.842599
  N      -8.421493      0.959237      2.760063
  C      -9.658544      1.442830      3.043573
  H      -5.050718     -1.509862      4.410922
  H      -5.243203     -0.222009      3.202674
  H      -2.771222     -2.033830      3.525647
  H      -3.999804     -2.150441      2.262501
  H      -1.841441     -0.973159      1.557155
  H      -2.221851      0.309182      2.733176
  H      -5.373891      1.448326     -0.010135
  H      -5.137402      3.625806     -1.155985
  H      -0.772161      4.925570     -0.773764
  H       1.300830      3.901256      0.254508
  H       1.107046      1.651401      1.335821
  H      -2.139343      5.461577      3.367618
  H      -2.827171      5.349320      4.991383
  H      -4.492941      6.468235      3.917453
  H      -5.090970      4.812607      3.783068
  H      -3.547666      5.102958      1.434477
  H      -4.366627      6.678669      1.590915
  H      -6.269355      7.112323      2.901605
  H      -8.614440      7.667954      3.401260
  H     -11.290475      4.688784      1.157147
  H     -10.832940      2.751731     -0.396147
  H      -8.459579      2.161720     -0.913293
  H      -6.760753      2.781387      7.535498
  H      -6.941422      2.078196      5.922193
  H      -6.713604      4.544406      5.048417
  H      -7.195117      5.020661      6.690333
  H      -9.172702      4.856831      5.190377
  H      -9.279602      3.565842      6.432126
  H     -11.236044      3.786246      4.986569
  H     -13.168287      2.810386      3.797807
  H     -11.589442     -0.438249      0.949260
  H      -9.280450     -1.316332      0.411585
  H      -7.311829     -0.350870      1.626629
  N      -5.561693      2.390000      3.238733
  H      -5.440115      2.932784      2.382578
  H      -6.488027      1.943710      3.220048
101
Coordinates from ORCA-job orca E -6430.122107080932
  N      -3.915303      0.262212      4.724217
  Mo     -4.173460      2.234310      4.646214
  N      -5.095792      2.970291      6.225742
  C      -4.270096      3.389119      7.352774
  C      -3.171664      2.347240      7.566295
  N      -2.519102      2.043226      6.268250
  C      -2.022817      0.646639      6.201255
  C      -3.165924     -0.293871      5.848401
  C      -1.460243      3.018012      5.902477
  C      -1.443925      3.155030      4.375612
  N      -2.769097      3.539607      3.887823
  H      -2.734176     -1.281277      5.604293
  H      -3.825235     -0.454550      6.726071
  H      -1.277218      0.606825      5.395139
  H      -1.525294      0.359181      7.146243
  H      -0.676233      3.895578      4.079531
  H      -1.143512      2.197460      3.916697
  H      -1.726841      3.987392      6.347597
  H      -0.483695      2.711469      6.321338
  H      -4.869528      3.472942      8.276890
  H      -3.816864      4.384984      7.178514
  H      -3.637941      1.418108      7.923800
  H      -2.426052      2.672212      8.315616
  C      -4.468772     -0.734179      3.812676
  C      -3.405586     -1.439599      2.949197
  C      -2.578738     -0.481200      2.118671
  O      -3.460530      0.069924      1.107782
  C      -3.224232      1.239540      0.485884
  C      -4.314365      1.801881     -0.167734
  C      -4.187239      3.027286     -0.835009
  N      -3.067895      3.741000     -0.900467
  C      -1.978131      3.202328     -0.286120
  C      -0.754783      3.916435     -0.339393
  C       0.373023      3.390141      0.247973
  C       0.275055      2.137266      0.893384
  N      -0.843224      1.436332      0.982450
  C      -1.973843      1.946232      0.418427
  C      -2.932778      4.987884      3.966886
  C      -4.284696      5.497590      3.471795
  C      -4.388134      5.626095      1.948228
  O      -5.565880      4.995577      1.378102
  C      -6.783378      5.427674      1.734992
  C      -7.052743      6.497869      2.579176
  C      -8.391130      6.807880      2.896039
  N      -9.456651      6.162474      2.446166
  C      -9.213271      5.128637      1.583956
  C     -10.310110      4.416416      1.040194
  C     -10.076341      3.378446      0.165203
  C      -8.740981      3.056955     -0.166765
  N      -7.683469      3.690229      0.317115
  C      -7.903104      4.712366      1.184703
  C      -6.543953      2.962319      6.395833
  C      -7.258297      4.225868      5.875124
  C      -8.709410      3.964800      5.508974
  O      -8.683685      2.950224      4.482670
  C      -9.831089      2.495724      3.966706
  C     -11.103988      2.961431      4.263473
  C     -12.209528      2.390461      3.598493
  N     -12.149014      1.423300      2.693998
  C     -10.901238      0.949745      2.397256
  C     -10.756444     -0.065673      1.420206
  C      -9.495525     -0.525410      1.100555
  C      -8.377767      0.023100      1.768049
  N      -8.467372      0.967924      2.693079
  C      -9.703119      1.437996      3.004012
  H      -5.030169     -1.502764      4.379803
  H      -5.185208     -0.225550      3.155121
  H      -2.706176     -2.005172      3.587749
  H      -3.896071     -2.177408      2.292767
  H      -1.729728     -0.975054      1.629093
  H      -2.194782      0.336509      2.742316
  H      -5.279334      1.296728     -0.123057
  H      -5.074339      3.463727     -1.300170
  H      -0.748049      4.874301     -0.862778
  H       1.329188      3.914707      0.215889
  H       1.160325      1.694860      1.360743
  H      -2.120103      5.481163      3.392011
  H      -2.811052      5.348811      5.013637
  H      -4.479809      6.468269      3.950941
  H      -5.068754      4.808509      3.820065
  H      -3.566072      5.092193      1.455500
  H      -4.368505      6.678240      1.620493
  H      -6.253501      7.092231      3.015781
  H      -8.584788      7.645765      3.574630
  H     -11.317083      4.708605      1.341428
  H     -10.897766      2.799556     -0.258795
  H      -8.537874      2.232277     -0.857871
  H      -6.792103      2.805917      7.463350
  H      -6.951801      2.100195      5.848367
  H      -6.734632      4.564144      4.969696
  H      -7.215729      5.045306      6.609715
  H      -9.195671      4.872430      5.114954
  H      -9.297431      3.591023      6.365647
  H     -11.263420      3.768161      4.976919
  H     -13.210251      2.769959      3.831418
  H     -11.656428     -0.447600      0.935798
  H      -9.349855     -1.299319      0.345656
  H      -7.365819     -0.321149      1.526446
  N      -5.505894      2.392489      3.170514
  H      -5.368631      2.941337      2.319828
  H      -6.439519      1.960797      3.135519
101
Coordinates from ORCA-job orca E -6430.122381038182
  N      -3.966333      0.269288      4.696823
  Mo     -4.202597      2.244629      4.649533
  N      -5.089601      2.975095      6.250986
  C      -4.240281      3.374190      7.368213
  C      -3.150937      2.316462      7.553823
  N      -2.527966      2.012597      6.240227
  C      -2.048821      0.610971      6.152022
  C      -3.206902     -0.311032      5.802337
  C      -1.461337      2.975625      5.865895
  C      -1.461505      3.116665      4.339629
  N      -2.786529      3.525543      3.869137
  H      -2.791679     -1.300228      5.538874
  H      -3.856219     -0.474804      6.687004
  H      -1.314289      0.571514      5.335881
  H      -1.543109      0.308652      7.087713
  H      -0.685614      3.843747      4.032758
  H      -1.184790      2.154697      3.875529
  H      -1.711085      3.946103      6.318273
  H      -0.483245      2.655674      6.271236
  H      -4.824122      3.458713      8.302180
  H      -3.776363      4.365263      7.194374
  H      -3.623255      1.391980      7.915660
  H      -2.384765      2.626111      8.288482
  C      -4.576533     -0.707470      3.800472
  C      -3.562504     -1.435713      2.898425
  C      -2.718464     -0.492126      2.068180
  O      -3.602947      0.136279      1.104765
  C      -3.336130      1.319322      0.519865
  C      -4.410896      1.924735     -0.121827
  C      -4.247247      3.152645     -0.777371
  N      -3.105805      3.830412     -0.840683
  C      -2.033804      3.256576     -0.226083
  C      -0.793175      3.940889     -0.262711
  C       0.318135      3.378033      0.322852
  C       0.187957      2.113191      0.938323
  N      -0.948293      1.439810      1.012353
  C      -2.065868      1.991738      0.462229
  C      -2.918206      4.978931      3.951415
  C      -4.265997      5.520361      3.479057
  C      -4.386988      5.647346      1.956580
  O      -5.562506      5.005815      1.395262
  C      -6.781709      5.461427      1.713601
  C      -7.059005      6.590509      2.474061
  C      -8.400068      6.924595      2.750721
  N      -9.461433      6.250574      2.334315
  C      -9.210137      5.156774      1.552313
  C     -10.301848      4.413499      1.041950
  C     -10.059635      3.316295      0.245015
  C      -8.721310      2.960061     -0.034292
  N      -7.667345      3.621127      0.420426
  C      -7.895875      4.708206      1.203886
  C      -6.535088      2.982679      6.439010
  C      -7.239052      4.245538      5.905918
  C      -8.680298      3.976824      5.511113
  O      -8.615068      2.956592      4.491912
  C      -9.737496      2.485534      3.938044
  C     -11.025454      2.943310      4.175999
  C     -12.098516      2.347137      3.480369
  N     -11.994203      1.358482      2.603429
  C     -10.731613      0.889677      2.368043
  C     -10.541781     -0.162332      1.438531
  C      -9.266243     -0.622855      1.186243
  C      -8.179511     -0.036740      1.872319
  N      -8.310474      0.941845      2.756328
  C      -9.561625      1.408757      3.004200
  H      -5.140826     -1.465205      4.380213
  H      -5.299166     -0.174875      3.169336
  H      -2.871417     -2.045438      3.503716
  H      -4.101182     -2.137458      2.240041
  H      -1.915878     -1.015304      1.531237
  H      -2.265592      0.279973      2.702310
  H      -5.392717      1.454354     -0.076317
  H      -5.121570      3.615739     -1.241623
  H      -0.760762      4.906923     -0.769838
  H       1.286249      3.881063      0.308360
  H       1.064689      1.632403      1.384822
  H      -2.108638      5.449896      3.353359
  H      -2.761512      5.340221      4.992892
  H      -4.432088      6.495337      3.960329
  H      -5.059037      4.848888      3.840438
  H      -3.566752      5.119128      1.456604
  H      -4.374407      6.698644      1.625523
  H      -6.263576      7.216558      2.871357
  H      -8.600445      7.809255      3.364945
  H     -11.312129      4.734260      1.300060
  H     -10.877845      2.719905     -0.159480
  H      -8.511747      2.087615     -0.661710
  H      -6.779709      2.835250      7.508392
  H      -6.953918      2.120905      5.899356
  H      -6.701197      4.578285      5.007111
  H      -7.208840      5.067229      6.638411
  H      -9.163307      4.878209      5.100491
  H      -9.284425      3.600105      6.355548
  H     -11.220595      3.762215      4.866464
  H     -13.111157      2.720532      3.666284
  H     -11.420314     -0.576708      0.940714
  H      -9.085938     -1.426767      0.470965
  H      -7.158196     -0.384663      1.686712
  N      -5.579502      2.450023      3.218676
  H      -5.441544      2.991854      2.364674
  H      -6.518811      2.033522      3.200337
101
Coordinates from ORCA-job orca E -6430.122581334793
  N      -3.910367      0.255068      4.700321
  Mo     -4.183968      2.226054      4.651548
  N      -5.063659      2.945698      6.261946
  C      -4.207426      3.356183      7.369621
  C      -3.098933      2.317371      7.542153
  N      -2.486506      2.027029      6.221290
  C      -1.981245      0.635110      6.128242
  C      -3.125108     -0.309538      5.795217
  C      -1.444998      3.011484      5.833260
  C      -1.466084      3.149369      4.306471
  N      -2.803249      3.530815      3.847797
  H      -2.693064     -1.289877      5.526078
  H      -3.758932     -0.486241      6.688958
  H      -1.256556      0.608837      5.302757
  H      -1.458110      0.343404      7.057594
  H      -0.707538      3.889921      3.988684
  H      -1.176136      2.192110      3.841650
  H      -1.709172      3.977415      6.286897
  H      -0.455889      2.712188      6.227804
  H      -4.782055      3.431360      8.310376
  H      -3.760850      4.354420      7.191045
  H      -3.550938      1.384100      7.907855
  H      -2.329942      2.639682      8.268271
  C      -4.516312     -0.735197      3.816046
  C      -3.503448     -1.457598      2.908076
  C      -2.655448     -0.509550      2.086714
  O      -3.536802      0.129872      1.126981
  C      -3.270372      1.320767      0.559109
  C      -4.345202      1.934429     -0.075154
  C      -4.183153      3.173981     -0.709019
  N      -3.042756      3.854523     -0.760264
  C      -1.971891      3.274409     -0.149750
  C      -0.734825      3.965791     -0.165938
  C       0.374121      3.401849      0.423421
  C       0.246278      2.125742      1.016153
  N      -0.886022      1.443994      1.067064
  C      -2.002734      1.998759      0.518408
  C      -2.960322      4.983771      3.917512
  C      -4.312158      5.505494      3.431385
  C      -4.412088      5.648393      1.908217
  O      -5.559209      4.983133      1.318369
  C      -6.794415      5.384853      1.643063
  C      -7.111312      6.463969      2.458280
  C      -8.463936      6.742535      2.739896
  N      -9.501132      6.061144      2.277935
  C      -9.211612      5.019425      1.439719
  C     -10.277225      4.279020      0.873739
  C      -9.997210      3.236730      0.018334
  C      -8.646764      2.928170     -0.259612
  N      -7.615565      3.587809      0.246345
  C      -7.881744      4.625384      1.083977
  C      -6.508063      2.943136      6.462977
  C      -7.218611      4.214652      5.958316
  C      -8.673093      3.968065      5.597231
  O      -8.655759      2.977750      4.546944
  C      -9.806761      2.542147      4.023015
  C     -11.075287      3.011375      4.331963
  C     -12.187410      2.458304      3.662756
  N     -12.137860      1.502498      2.745928
  C     -10.894634      1.025158      2.436685
  C     -10.763735      0.008174      1.459227
  C      -9.508304     -0.456450      1.127866
  C      -8.382455      0.088644      1.783771
  N      -8.457595      1.030362      2.713435
  C      -9.689066      1.501335      3.039933
  H      -5.067156     -1.495368      4.405413
  H      -5.250314     -0.214261      3.188163
  H      -2.813245     -2.072197      3.509626
  H      -4.043071     -2.154253      2.245679
  H      -1.853644     -1.031026      1.546143
  H      -2.199113      0.253461      2.728637
  H      -5.326781      1.462589     -0.037511
  H      -5.056318      3.640587     -1.172085
  H      -0.703805      4.939359     -0.658470
  H       1.339107      3.910976      0.425828
  H       1.121176      1.644417      1.466316
  H      -2.154735      5.463351      3.321237
  H      -2.814455      5.353761      4.957153
  H      -4.502675      6.473304      3.917822
  H      -5.098034      4.817157      3.775667
  H      -3.569499      5.150924      1.414701
  H      -4.423846      6.703875      1.591308
  H      -6.337640      7.089420      2.898337
  H      -8.695686      7.585331      3.400432
  H     -11.298581      4.560455      1.134082
  H     -10.795014      2.646664     -0.433260
  H      -8.408195      2.096720     -0.930325
  H      -6.739946      2.783513      7.533288
  H      -6.931456      2.086343      5.918768
  H      -6.699995      4.556018      5.052060
  H      -7.164468      5.026176      6.700589
  H      -9.157945      4.885008      5.225455
  H      -9.256765      3.576272      6.449229
  H     -11.226026      3.808626      5.058072
  H     -13.184444      2.840721      3.905700
  H     -11.670612     -0.377084      0.989275
  H      -9.373172     -1.233178      0.373613
  H      -7.376492     -0.262763      1.533816
  N      -5.585542      2.395871      3.240711
  H      -5.474474      2.942264      2.386241
  H      -6.503724      1.935869      3.225259
101
Coordinates from ORCA-job orca E -6430.122638244388
  N      -3.922475      0.265522      4.716295
  Mo     -4.188450      2.237516      4.657180
  N      -5.082932      2.960093      6.258059
  C      -4.237704      3.374707      7.371861
  C      -3.132215      2.335169      7.558055
  N      -2.505209      2.040735      6.245496
  C      -2.004828      0.646436      6.160295
  C      -3.149350     -0.296150      5.821049
  C      -1.457471      3.021479      5.865509
  C      -1.468775      3.162902      4.338986
  N      -2.801883      3.547443      3.873915
  H      -2.717549     -1.279168      5.561004
  H      -3.791451     -0.466723      6.710048
  H      -1.273295      0.614899      5.340965
  H      -1.490214      0.354613      7.094497
  H      -0.706686      3.903639      4.029704
  H      -1.176950      2.207025      3.872868
  H      -1.719923      3.988021      6.318782
  H      -0.472440      2.717086      6.266110
  H      -4.820823      3.451232      8.307419
  H      -3.790393      4.372905      7.195001
  H      -3.589045      1.402660      7.919698
  H      -2.372297      2.658082      8.293520
  C      -4.516758     -0.727859      3.827026
  C      -3.494294     -1.454254      2.932671
  C      -2.648553     -0.512565      2.101596
  O      -3.528449      0.092195      1.118682
  C      -3.268668      1.269185      0.520758
  C      -4.353073      1.875894     -0.103255
  C      -4.202449      3.110955     -0.747822
  N      -3.064001      3.792363     -0.821322
  C      -1.982056      3.214695     -0.228991
  C      -0.743673      3.902522     -0.277329
  C       0.375727      3.341743      0.294808
  C       0.256072      2.074102      0.907249
  N      -0.876259      1.395303      0.987031
  C      -2.001514      1.944973      0.450755
  C      -2.959615      4.999416      3.948506
  C      -4.308565      5.526083      3.458543
  C      -4.407130      5.670496      1.935499
  O      -5.571447      5.031246      1.350656
  C      -6.794394      5.461849      1.685133
  C      -7.077081      6.543901      2.509243
  C      -8.420056      6.854601      2.804329
  N      -9.477881      6.199945      2.350912
  C      -9.221769      5.154655      1.506015
  C     -10.310178      4.435187      0.956255
  C     -10.063651      3.385607      0.099429
  C      -8.723590      3.055193     -0.203446
  N      -7.672827      3.693929      0.287603
  C      -7.905526      4.733096      1.132086
  C      -6.528282      2.945969      6.449593
  C      -7.250812      4.205740      5.933415
  C      -8.697389      3.933870      5.560745
  O      -8.652751      2.927424      4.527070
  C      -9.789939      2.474511      3.987758
  C     -11.067175      2.945728      4.254979
  C     -12.159610      2.380189      3.563947
  N     -12.082813      1.412134      2.661999
  C     -10.830916      0.931582      2.395586
  C     -10.669974     -0.092521      1.430258
  C      -9.405178     -0.561723      1.143483
  C      -8.300030     -0.013274      1.831291
  N      -8.403764      0.939325      2.746707
  C      -9.644079      1.416352      3.027783
  H      -5.073253     -1.485213      4.414073
  H      -5.244793     -0.210348      3.188893
  H      -2.802710     -2.053310      3.548759
  H      -4.023494     -2.164874      2.277093
  H      -1.831660     -1.032164      1.582962
  H      -2.213884      0.272322      2.732493
  H      -5.332491      1.400941     -0.048584
  H      -5.082547      3.576376     -1.198133
  H      -0.719944      4.870328     -0.781477
  H       1.342329      3.847116      0.269140
  H       1.135920      1.600462      1.355436
  H      -2.148396      5.482756      3.363462
  H      -2.823412      5.363106      4.991916
  H      -4.495792      6.494696      3.944491
  H      -5.098436      4.841254      3.801123
  H      -3.576101      5.153604      1.441486
  H      -4.398988      6.725866      1.618195
  H      -6.284428      7.146823      2.947018
  H      -8.624698      7.700239      3.470273
  H     -11.321630      4.733160      1.236264
  H     -10.879282      2.803984     -0.331714
  H      -8.510934      2.218581     -0.876433
  H      -6.764489      2.789601      7.519628
  H      -6.939517      2.081920      5.907484
  H      -6.728682      4.549601      5.029957
  H      -7.215524      5.023303      6.670346
  H      -9.190702      4.838472      5.169498
  H      -9.285633      3.547371      6.411813
  H     -11.238746      3.755965      4.961606
  H     -13.163414      2.765839      3.771739
  H     -11.561184     -0.476403      0.930887
  H      -9.246915     -1.344265      0.399948
  H      -7.286364     -0.367253      1.616451
  N      -5.561840      2.399000      3.218685
  H      -5.442688      2.945150      2.364373
  H      -6.488153      1.953724      3.199152
101
Coordinates from ORCA-job orca E -6430.121635528585
  N      -3.966836      0.300530      4.669578
  Mo     -4.193152      2.276727      4.612909
  N      -5.118599      3.010158      6.192715
  C      -4.292464      3.409290      7.327095
  C      -3.211567      2.348604      7.542043
  N      -2.553509      2.041490      6.247448
  C      -2.081284      0.637207      6.169122
  C      -3.237797     -0.278365      5.796322
  C      -1.473771      2.999860      5.901701
  C      -1.436536      3.143831      4.376683
  N      -2.749531      3.553114      3.875121
  H      -2.825676     -1.273428      5.549633
  H      -3.909070     -0.431124      6.666301
  H      -1.330534      0.593352      5.368107
  H      -1.595876      0.330598      7.114405
  H      -0.653376      3.872163      4.091340
  H      -1.147720      2.182631      3.918329
  H      -1.728955      3.970586      6.350590
  H      -0.507081      2.674415      6.329311
  H      -4.896129      3.498014      8.247783
  H      -3.822362      4.398907      7.161956
  H      -3.693830      1.425060      7.892541
  H      -2.466151      2.658717      8.297826
  C      -4.573499     -0.674014      3.768599
  C      -3.553267     -1.423174      2.891606
  C      -2.697219     -0.490259      2.061625
  O      -3.575876      0.128702      1.086563
  C      -3.308947      1.314586      0.508479
  C      -4.394711      1.951001     -0.081130
  C      -4.235669      3.201219     -0.693985
  N      -3.090448      3.872013     -0.760759
  C      -2.005338      3.260491     -0.208335
  C      -0.754929      3.924183     -0.270651
  C       0.369448      3.316838      0.241063
  C       0.239446      2.035247      0.820639
  N      -0.906618      1.381948      0.922908
  C      -2.032698      1.971410      0.432031
  C      -2.890759      5.003825      3.960929
  C      -4.232007      5.533762      3.461383
  C      -4.336871      5.656179      1.938164
  O      -5.509501      5.006310      1.381183
  C      -6.725824      5.443143      1.737576
  C      -6.990048      6.545448      2.540689
  C      -8.325610      6.861367      2.862347
  N      -9.392363      6.187465      2.459193
  C      -9.153760      5.115064      1.644169
  C     -10.251976      4.360926      1.163631
  C     -10.021235      3.277529      0.344158
  C      -8.689150      2.955454      0.000650
  N      -7.630171      3.628175      0.424688
  C      -7.846751      4.693474      1.239771
  C      -6.566216      3.007904      6.364477
  C      -7.280357      4.266552      5.833644
  C      -8.725027      3.988090      5.457511
  O      -8.670332      2.957175      4.448989
  C      -9.799074      2.463800      3.927797
  C     -11.087990      2.907572      4.186472
  C     -12.165961      2.293246      3.514592
  N     -12.064519      1.301470      2.640336
  C     -10.800584      0.846028      2.386400
  C     -10.611313     -0.198844      1.448819
  C      -9.333739     -0.644444      1.177686
  C      -8.244403     -0.049258      1.851941
  N      -8.375175      0.926329      2.738631
  C      -9.627449      1.380338      3.002484
  H      -5.163402     -1.417268      4.341095
  H      -5.272705     -0.133704      3.117875
  H      -2.873327     -2.031885      3.510664
  H      -4.087255     -2.127274      2.231817
  H      -1.890459     -1.018227      1.536388
  H      -2.256539      0.291772      2.692587
  H      -5.379131      1.486068     -0.030088
  H      -5.117371      3.692279     -1.114378
  H      -0.723721      4.908619     -0.741007
  H       1.345732      3.802507      0.203640
  H       1.122297      1.526681      1.220171
  H      -2.069578      5.483909      3.386820
  H      -2.763533      5.360237      5.008011
  H      -4.415230      6.508058      3.938236
  H      -5.027879      4.857204      3.808312
  H      -3.510843      5.134058      1.438287
  H      -4.334601      6.707785      1.607292
  H      -6.187717      7.162840      2.938822
  H      -8.515963      7.727646      3.505263
  H     -11.256436      4.654488      1.471954
  H     -10.843214      2.663948     -0.027007
  H      -8.490209      2.095006     -0.646597
  H      -6.815994      2.853249      7.431697
  H      -6.974467      2.145099      5.818459
  H      -6.750572      4.598465      4.929172
  H      -7.247612      5.091451      6.562728
  H      -9.217210      4.884016      5.044830
  H      -9.317755      3.617797      6.312454
  H     -11.280829      3.729238      4.874139
  H     -13.179544      2.656655      3.715034
  H     -11.490821     -0.614684      0.955080
  H      -9.154005     -1.441443      0.454876
  H      -7.219966     -0.380090      1.647799
  N      -5.517209      2.485743      3.132479
  H      -5.342477      3.017003      2.276995
  H      -6.459361      2.073765      3.082138
101
Coordinates from ORCA-job orca E -6430.122808211996
  N      -3.945924      0.274628      4.680825
  Mo     -4.197030      2.248314      4.633754
  N      -5.076933      2.973298      6.241709
  C      -4.221537      3.377528      7.352286
  C      -3.124853      2.326924      7.530799
  N      -2.507792      2.029036      6.213737
  C      -2.021000      0.630583      6.121421
  C      -3.176543     -0.298722      5.782728
  C      -1.451416      3.000422      5.832369
  C      -1.465283      3.144266      4.306213
  N      -2.797126      3.541300      3.845044
  H      -2.757370     -1.286382      5.519403
  H      -3.818817     -0.463757      6.672417
  H      -1.293724      0.595370      5.298559
  H      -1.504848      0.330963      7.052301
  H      -0.698077      3.878731      3.994824
  H      -1.183112      2.185503      3.838950
  H      -1.703689      3.968236      6.288906
  H      -0.467731      2.686478      6.228789
  H      -4.798702      3.459311      8.290690
  H      -3.764812      4.371168      7.174438
  H      -3.588495      1.398758      7.894488
  H      -2.357052      2.641533      8.261718
  C      -4.556574     -0.707258      3.790521
  C      -3.540822     -1.448082      2.901200
  C      -2.680755     -0.513789      2.076633
  O      -3.548198      0.111367      1.095576
  C      -3.276246      1.300954      0.527360
  C      -4.344190      1.917740     -0.114474
  C      -4.173751      3.159304     -0.742203
  N      -3.032520      3.839704     -0.776590
  C      -1.966526      3.252426     -0.164415
  C      -0.724987      3.935799     -0.175228
  C       0.380441      3.358647      0.407784
  C       0.242784      2.082098      0.997026
  N      -0.894976      1.408936      1.047013
  C      -2.005739      1.973085      0.495530
  C      -2.945091      4.992853      3.930097
  C      -4.296756      5.520330      3.452149
  C      -4.407721      5.666679      1.930318
  O      -5.565240      5.009334      1.349563
  C      -6.795988      5.421127      1.682905
  C      -7.100647      6.507865      2.493051
  C      -8.449655      6.798307      2.780386
  N      -9.494386      6.120295      2.329803
  C      -9.216496      5.069465      1.499239
  C     -10.290048      4.327034      0.950453
  C     -10.021334      3.273136      0.105076
  C      -8.674609      2.960260     -0.185597
  N      -7.636812      3.622672      0.303049
  C      -7.891565      4.666469      1.135763
  C      -6.520832      2.974643      6.441735
  C      -7.233047      4.242509      5.930784
  C      -8.682541      3.981248      5.560778
  O      -8.644821      2.976780      4.524577
  C      -9.784526      2.512206      4.001077
  C     -11.063644      2.964644      4.290963
  C     -12.159751      2.381276      3.621035
  N     -12.084961      1.411108      2.720919
  C     -10.830982      0.948535      2.432951
  C     -10.672574     -0.079116      1.470971
  C      -9.406162     -0.530606      1.162817
  C      -8.296792      0.039858      1.825397
  N      -8.397891      0.995523      2.738145
  C      -9.640142      1.454118      3.040738
  H      -5.128289     -1.456735      4.373571
  H      -5.272384     -0.175958      3.150628
  H      -2.860230     -2.060308      3.515999
  H      -4.078060     -2.148526      2.240429
  H      -1.872063     -1.042977      1.555005
  H      -2.236232      0.261344      2.713107
  H      -5.325865      1.445057     -0.090736
  H      -5.042695      3.632457     -1.206358
  H      -0.686547      4.912259     -0.661486
  H       1.349322      3.860345      0.412064
  H       1.113682      1.592798      1.445352
  H      -2.137290      5.475125      3.338920
  H      -2.798650      5.351917      4.973753
  H      -4.481365      6.486877      3.943547
  H      -5.083452      4.833179      3.798241
  H      -3.572293      5.164878      1.427624
  H      -4.416714      6.723035      1.615686
  H      -6.320335      7.131362      2.923335
  H      -8.671611      7.649180      3.433724
  H     -11.307887      4.612747      1.219666
  H     -10.824900      2.676785     -0.328177
  H      -8.444704      2.122081     -0.851404
  H      -6.753861      2.816496      7.512178
  H      -6.943219      2.116982      5.898256
  H      -6.710276      4.583774      5.026160
  H      -7.188791      5.057297      6.670262
  H      -9.171916      4.889679      5.173621
  H      -9.270179      3.594438      6.412164
  H     -11.234907      3.770849      5.002395
  H     -13.165494      2.750580      3.848151
  H     -11.567227     -0.480456      0.991806
  H      -9.249978     -1.315166      0.420958
  H      -7.281986     -0.300093      1.593475
  N      -5.582602      2.439850      3.209503
  H      -5.453906      2.981000      2.353443
  H      -6.517355      2.012497      3.195747
101
Coordinates from ORCA-job orca E -6430.122769374495
  N      -3.926266      0.276821      4.694260
  Mo     -4.191339      2.249138      4.644416
  N      -5.083042      2.967374      6.248440
  C      -4.234857      3.376753      7.362364
  C      -3.130284      2.335042      7.543672
  N      -2.506230      2.043883      6.228732
  C      -2.006893      0.649755      6.137173
  C      -3.152435     -0.290064      5.795862
  C      -1.457809      3.024239      5.849859
  C      -1.469856      3.167391      4.323413
  N      -2.802488      3.556000      3.859641
  H      -2.722475     -1.272733      5.532014
  H      -3.793831     -0.462630      6.685071
  H      -1.277024      0.621079      5.316259
  H      -1.490883      0.353935      7.069256
  H      -0.706441      3.906328      4.013446
  H      -1.181139      2.211019      3.856529
  H      -1.718971      3.990126      6.305256
  H      -0.472644      2.718129      6.248926
  H      -4.816401      3.452531      8.298924
  H      -3.785460      4.374305      7.187250
  H      -3.587757      1.402319      7.903990
  H      -2.368097      2.654940      8.278065
  C      -4.543186     -0.712178      3.815417
  C      -3.541164     -1.456279      2.912821
  C      -2.680252     -0.526620      2.083742
  O      -3.554462      0.112100      1.116535
  C      -3.280960      1.299229      0.544445
  C      -4.360572      1.936453     -0.057528
  C      -4.194128      3.181244     -0.679568
  N      -3.044241      3.843545     -0.751644
  C      -1.966829      3.235872     -0.181059
  C      -0.716970      3.902348     -0.229583
  C       0.398848      3.308804      0.316270
  C       0.263914      2.028946      0.899290
  N      -0.880101      1.369859      0.979733
  C      -2.002358      1.953519      0.473691
  C      -2.954906      5.009129      3.940466
  C      -4.303413      5.544134      3.458225
  C      -4.406325      5.703255      1.936742
  O      -5.559242      5.048324      1.347027
  C      -6.789034      5.456032      1.684574
  C      -7.089609      6.535222      2.506064
  C      -8.437174      6.821824      2.803738
  N      -9.483642      6.145293      2.356130
  C      -9.210316      5.100624      1.515850
  C     -10.286526      4.358694      0.972479
  C     -10.022683      3.310003      0.119615
  C      -8.677658      3.000238     -0.182472
  N      -7.637204      3.661244      0.301721
  C      -7.887374      4.702287      1.139581
  C      -6.528644      2.956611      6.439788
  C      -7.246882      4.218514      5.921923
  C      -8.694165      3.951507      5.546700
  O      -8.651347      2.947853      4.509887
  C      -9.789116      2.491911      3.974145
  C     -11.066660      2.960228      4.244788
  C     -12.160548      2.386152      3.563092
  N     -12.085248      1.410501      2.669167
  C     -10.833100      0.932304      2.399856
  C     -10.674619     -0.105904      1.449158
  C      -9.409920     -0.574398      1.160884
  C      -8.302474     -0.011258      1.832749
  N      -8.403859      0.953024      2.736295
  C      -9.644301      1.428290      3.019772
  H      -5.106167     -1.459276      4.409801
  H      -5.268777     -0.185456      3.182352
  H      -2.859546     -2.075627      3.519523
  H      -4.090461     -2.150145      2.255795
  H      -1.882482     -1.061196      1.550378
  H      -2.219431      0.238333      2.719860
  H      -5.348498      1.479774     -0.000982
  H      -5.070394      3.669475     -1.113074
  H      -0.681478      4.880223     -0.713187
  H       1.374125      3.797225      0.290202
  H       1.141997      1.526361      1.319233
  H      -2.144910      5.490619      3.352128
  H      -2.810745      5.368326      4.984215
  H      -4.487790      6.508621      3.953557
  H      -5.093738      4.857874      3.796516
  H      -3.567585      5.208091      1.434437
  H      -4.417906      6.761864      1.630516
  H      -6.306911      7.154710      2.938684
  H      -8.655998      7.665935      3.467105
  H     -11.302747      4.640889      1.251552
  H     -10.828740      2.714998     -0.310683
  H      -8.451838      2.164551     -0.852266
  H      -6.766502      2.800703      7.509380
  H      -6.941737      2.093675      5.897290
  H      -6.722527      4.560326      5.019089
  H      -7.209633      5.035654      6.659083
  H      -9.185027      4.857968      5.157238
  H      -9.284029      3.563945      6.396263
  H     -11.237589      3.773469      4.948187
  H     -13.164713      2.768974      3.774060
  H     -11.568068     -0.503545      0.964259
  H      -9.253606     -1.368123      0.428809
  H      -7.289283     -0.365758      1.617349
  N      -5.573589      2.419913      3.215170
  H      -5.448265      2.957407      2.356771
  H      -6.493543      1.962670      3.189915
101
Coordinates from ORCA-job orca E -6430.122865419628
  N      -3.944138      0.284727      4.672686
  Mo     -4.197870      2.258416      4.626115
  N      -5.084298      2.978850      6.232436
  C      -4.232405      3.383850      7.345245
  C      -3.133598      2.335839      7.525323
  N      -2.512137      2.041172      6.209967
  C      -2.022624      0.643750      6.116807
  C      -3.175214     -0.287831      5.775075
  C      -1.457057      3.014975      5.832134
  C      -1.468578      3.160359      4.306082
  N      -2.799622      3.556454      3.843129
  H      -2.752686     -1.273967      5.511614
  H      -3.818438     -0.455549      6.663739
  H      -1.293694      0.610915      5.295260
  H      -1.507735      0.343563      7.048187
  H      -0.701375      3.895735      3.996832
  H      -1.184885      2.202611      3.838348
  H      -1.711605      3.981828      6.289312
  H      -0.473684      2.701938      6.230101
  H      -4.812075      3.462597      8.282521
  H      -3.778068      4.379046      7.169762
  H      -3.595987      1.405841      7.886100
  H      -2.369019      2.651346      8.259200
  C      -4.562009     -0.698621      3.788497
  C      -3.555426     -1.450774      2.897933
  C      -2.682759     -0.526393      2.075312
  O      -3.542446      0.110143      1.094102
  C      -3.260874      1.299943      0.531257
  C      -4.327756      1.935213     -0.094375
  C      -4.149479      3.181528     -0.710251
  N      -3.000579      3.848362     -0.750778
  C      -1.935137      3.242031     -0.156701
  C      -0.685799      3.910884     -0.174572
  C       0.418916      3.315754      0.391642
  C       0.273024      2.034124      0.967886
  N      -0.871831      1.373603      1.022610
  C      -1.982651      1.957045      0.491648
  C      -2.947138      5.008970      3.926442
  C      -4.295491      5.542645      3.444593
  C      -4.402494      5.693505      1.922831
  O      -5.557593      5.034066      1.341454
  C      -6.786494      5.447213      1.677725
  C      -7.084594      6.537697      2.485177
  C      -8.431447      6.831689      2.778749
  N      -9.479573      6.151936      2.339386
  C      -9.208308      5.095092      1.513954
  C     -10.285973      4.347414      0.980997
  C     -10.023825      3.285285      0.144038
  C      -8.679408      2.969723     -0.154486
  N      -7.637872      3.636726      0.319343
  C      -7.886229      4.688996      1.143312
  C      -6.528707      2.967663      6.431973
  C      -7.253271      4.229737      5.923598
  C      -8.702537      3.957936      5.559569
  O      -8.663148      2.957267      4.519863
  C      -9.802503      2.485240      4.001896
  C     -11.083197      2.928906      4.298215
  C     -12.178523      2.339595      3.632059
  N     -12.101492      1.371743      2.729659
  C     -10.845859      0.918143      2.434965
  C     -10.684927     -0.107555      1.471219
  C      -9.416882     -0.549742      1.156415
  C      -8.308363      0.027529      1.814486
  N      -8.411897      0.981085      2.729014
  C      -9.655700      1.430520      3.038355
  H      -5.136956     -1.441160      4.377130
  H      -5.276588     -0.165982      3.148169
  H      -2.882759     -2.072333      3.512228
  H      -4.101423     -2.143406      2.236472
  H      -1.879714     -1.064608      1.553996
  H      -2.229619      0.241557      2.713834
  H      -5.315049      1.474687     -0.064173
  H      -5.016842      3.669001     -1.162210
  H      -0.641123      4.891186     -0.652474
  H       1.393718      3.805842      0.389387
  H       1.142716      1.530616      1.403156
  H      -2.136442      5.489087      3.337778
  H      -2.802536      5.367820      4.970330
  H      -4.478580      6.509088      3.936817
  H      -5.085699      4.857897      3.786864
  H      -3.564891      5.196304      1.419567
  H      -4.416003      6.750583      1.611060
  H      -6.300469      7.161563      2.908631
  H      -8.648344      7.685844      3.429638
  H     -11.301674      4.634960      1.256375
  H     -10.830779      2.684509     -0.276606
  H      -8.454870      2.124142     -0.812485
  H      -6.759377      2.807374      7.502542
  H      -6.944354      2.106263      5.889068
  H      -6.736653      4.575800      5.017654
  H      -7.212934      5.044541      6.663249
  H      -9.200981      4.863403      5.177291
  H      -9.283146      3.564579      6.412778
  H     -11.256311      3.733514      5.010918
  H     -13.185548      2.702549      3.863658
  H     -11.579155     -0.515890      0.996994
  H      -9.258773     -1.332788      0.413360
  H      -7.292328     -0.304924      1.577465
  N      -5.577950      2.443611      3.196169
  H      -5.448412      2.985484      2.340718
  H      -6.504314      1.998574      3.171518
101
Coordinates from ORCA-job orca E -6430.122750774843
  N      -3.971914      0.295865      4.650263
  Mo     -4.209072      2.271716      4.605928
  N      -5.075303      2.999431      6.220009
  C      -4.210212      3.397986      7.324890
  C      -3.118947      2.340715      7.496056
  N      -2.510897      2.040397      6.175718
  C      -2.035501      0.638488      6.078331
  C      -3.199572     -0.282757      5.747092
  C      -1.450539      3.004932      5.788810
  C      -1.474993      3.152859      4.263103
  N      -2.807409      3.559367      3.813219
  H      -2.788050     -1.272966      5.481193
  H      -3.837086     -0.444108      6.641039
  H      -1.314416      0.598885      5.250212
  H      -1.514848      0.333282      7.004906
  H      -0.705212      3.883187      3.948234
  H      -1.202425      2.193672      3.791378
  H      -1.691957      3.973473      6.249552
  H      -0.466271      2.682736      6.177113
  H      -4.780687      3.482592      8.267244
  H      -3.748971      4.389029      7.144415
  H      -3.585901      1.414715      7.861106
  H      -2.345870      2.650167      8.223666
  C      -4.605147     -0.682304      3.771403
  C      -3.608130     -1.452324      2.885697
  C      -2.719179     -0.541363      2.065718
  O      -3.565065      0.103052      1.077636
  C      -3.273345      1.298073      0.531529
  C      -4.327614      1.941319     -0.106953
  C      -4.135919      3.194182     -0.705323
  N      -2.986516      3.861558     -0.713007
  C      -1.932798      3.246305     -0.107144
  C      -0.682194      3.912708     -0.093939
  C       0.411397      3.307069      0.482691
  C       0.252562      2.018898      1.040749
  N      -0.894593      1.360512      1.067463
  C      -1.993782      1.952670      0.522137
  C      -2.947506      5.011477      3.904364
  C      -4.299777      5.547627      3.437453
  C      -4.417684      5.718079      1.918595
  O      -5.565682      5.048446      1.333942
  C      -6.800078      5.425605      1.693060
  C      -7.113919      6.482413      2.538523
  C      -8.464193      6.738118      2.851947
  N      -9.501638      6.052162      2.396972
  C      -9.215294      5.029809      1.534090
  C     -10.281545      4.278893      0.982811
  C     -10.004086      3.253093      0.106245
  C      -8.655960      2.978398     -0.215110
  N      -7.624677      3.649338      0.275304
  C      -7.888160      4.664204      1.140362
  C      -6.517498      3.000807      6.431858
  C      -7.235317      4.264890      5.919833
  C      -8.684472      3.995445      5.555674
  O      -8.641947      2.985279      4.525657
  C      -9.778026      2.505683      4.008177
  C     -11.061159      2.950618      4.291738
  C     -12.151038      2.353971      3.623062
  N     -12.066312      1.378321      2.729658
  C     -10.808163      0.922494      2.449213
  C     -10.638381     -0.108995      1.493212
  C      -9.367406     -0.553215      1.192881
  C      -8.264891      0.028367      1.857366
  N      -8.376862      0.988735      2.763459
  C      -9.623377      1.440549      3.057824
  H      -5.190783     -1.413685      4.363462
  H      -5.311689     -0.142570      3.128187
  H      -2.946877     -2.083079      3.503074
  H      -4.162097     -2.137540      2.223145
  H      -1.919370     -1.090041      1.550763
  H      -2.262268      0.223628      2.705627
  H      -5.315583      1.481349     -0.102112
  H      -4.993951      3.688401     -1.167669
  H      -0.626987      4.899168     -0.557845
  H       1.387209      3.794697      0.503371
  H       1.113286      1.507955      1.484723
  H      -2.140370      5.492790      3.311827
  H      -2.794073      5.364151      4.949147
  H      -4.482576      6.507251      3.942928
  H      -5.086341      4.856396      3.776097
  H      -3.575397      5.241942      1.402409
  H      -4.449602      6.779313      1.622601
  H      -6.339401      7.106988      2.978085
  H      -8.693469      7.565550      3.532392
  H     -11.300721      4.534320      1.276464
  H     -10.801579      2.649207     -0.328087
  H      -8.419595      2.162152     -0.905237
  H      -6.741571      2.847579      7.504897
  H      -6.943709      2.140031      5.896191
  H      -6.716572      4.604192      5.012122
  H      -7.191701      5.082971      6.655727
  H      -9.179612      4.899010      5.164250
  H      -9.268241      3.610374      6.410466
  H     -11.240177      3.761632      4.995721
  H     -13.160100      2.718082      3.843810
  H     -11.528027     -0.518835      1.012034
  H      -9.202505     -1.340622      0.455962
  H      -7.246336     -0.304220      1.631142
  N      -5.598544      2.470426      3.186496
  H      -5.471908      3.014765      2.331902
  H      -6.536542      2.049261      3.177480
101
Coordinates from ORCA-job orca E -6430.122893060880
  N      -3.951817      0.294272      4.654943
  Mo     -4.200901      2.268862      4.613426
  N      -5.079828      2.987399      6.224479
  C      -4.222774      3.388436      7.334818
  C      -3.125808      2.337523      7.508900
  N      -2.509712      2.044268      6.190715
  C      -2.024326      0.645844      6.092671
  C      -3.180633     -0.282096      5.753726
  C      -1.453647      3.016244      5.810839
  C      -1.471592      3.166153      4.285236
  N      -2.803813      3.566834      3.829686
  H      -2.761315     -1.268824      5.487372
  H      -3.821070     -0.449696      6.644453
  H      -1.298783      0.612723      5.268129
  H      -1.506531      0.342254      7.021330
  H      -0.704001      3.900654      3.974901
  H      -1.192252      2.209143      3.813439
  H      -1.703500      3.982457      6.271955
  H      -0.469370      2.699430      6.203533
  H      -4.798641      3.467140      8.274435
  H      -3.766702      4.382718      7.159048
  H      -3.589123      1.407837      7.869290
  H      -2.358049      2.649747      8.240893
  C      -4.581397     -0.686551      3.776187
  C      -3.584553     -1.453480      2.887296
  C      -2.697972     -0.541237      2.066137
  O      -3.547545      0.105954      1.083014
  C      -3.257437      1.299740      0.533245
  C      -4.317880      1.947420     -0.090464
  C      -4.129474      3.198983     -0.692546
  N      -2.976696      3.859967     -0.719782
  C      -1.917114      3.240614     -0.128615
  C      -0.663399      3.901327     -0.135253
  C       0.435868      3.292026      0.426550
  C       0.279890      2.004782      0.987414
  N      -0.869590      1.351447      1.031753
  C      -1.974917      1.948559      0.504467
  C      -2.949045      5.018933      3.922060
  C      -4.300675      5.555155      3.452096
  C      -4.414837      5.726405      1.932802
  O      -5.560897      5.056915      1.344267
  C      -6.796429      5.445596      1.686423
  C      -7.112652      6.521566      2.506521
  C      -8.464183      6.788910      2.804085
  N      -9.500805      6.096746      2.356848
  C      -9.212008      5.054927      1.518348
  C     -10.276983      4.295925      0.975979
  C      -9.997105      3.249618      0.124816
  C      -8.647712      2.961626     -0.178865
  N      -7.617432      3.639945      0.303597
  C      -7.883373      4.676172      1.142291
  C      -6.523425      2.979311      6.428550
  C      -7.246131      4.242129      5.919859
  C      -8.696203      3.971943      5.558223
  O      -8.659117      2.968926      4.520790
  C      -9.799499      2.495746      4.006474
  C     -11.079215      2.943344      4.301034
  C     -12.175849      2.352761      3.638115
  N     -12.100903      1.380242      2.740582
  C     -10.846293      0.922224      2.448331
  C     -10.687535     -0.108010      1.489103
  C      -9.420477     -0.554607      1.176570
  C      -8.310755      0.022977      1.832343
  N      -8.412310      0.981012      2.742339
  C      -9.655062      1.435067      3.049099
  H      -5.163159     -1.420354      4.369124
  H      -5.291431     -0.149345      3.134743
  H      -2.921562     -2.084554      3.502420
  H      -4.139545     -2.138268      2.225231
  H      -1.900665     -1.089668      1.546779
  H      -2.237121      0.221013      2.706030
  H      -5.308134      1.492751     -0.069118
  H      -4.991977      3.696610     -1.142648
  H      -0.610817      4.886620     -0.601956
  H       1.414047      3.775309      0.431936
  H       1.145099      1.490234      1.418609
  H      -2.141342      5.502261      3.331985
  H      -2.798516      5.371014      4.967447
  H      -4.484565      6.514633      3.957437
  H      -5.087607      4.863779      3.789070
  H      -3.570962      5.250327      1.419632
  H      -4.445950      6.787526      1.636403
  H      -6.339168      7.153293      2.937505
  H      -8.695330      7.631558      3.464997
  H     -11.297324      4.562139      1.255698
  H     -10.793790      2.640156     -0.302983
  H      -8.409220      2.129166     -0.848566
  H      -6.751354      2.821027      7.500012
  H      -6.942516      2.118087      5.887992
  H      -6.730087      4.585963      5.012513
  H      -7.203303      5.057923      6.658281
  H      -9.193917      4.877223      5.174474
  H      -9.276372      3.581302      6.412978
  H     -11.250480      3.752141      5.009476
  H     -13.182124      2.718835      3.868064
  H     -11.582535     -0.515683      1.015880
  H      -9.264015     -1.341075      0.436788
  H      -7.295296     -0.312101      1.596511
  N      -5.584641      2.460647      3.187912
  H      -5.455403      3.003453      2.332951
  H      -6.514808      2.023297      3.167946
101
Coordinates from ORCA-job orca E -6430.122871308113
  N      -3.959506      0.293622      4.644835
  Mo     -4.210094      2.267731      4.597109
  N      -5.086164      2.991813      6.207378
  C      -4.226544      3.397608      7.314282
  C      -3.129126      2.347537      7.490984
  N      -2.515729      2.048379      6.172843
  C      -2.031292      0.649415      6.079673
  C      -3.188730     -0.278910      5.746018
  C      -1.459361      3.017715      5.787219
  C      -1.479590      3.160332      4.260915
  N      -2.812009      3.561077      3.805159
  H      -2.770999     -1.267491      5.483937
  H      -3.829148     -0.441578      6.637620
  H      -1.307378      0.612843      5.253846
  H      -1.511841      0.349266      7.008534
  H      -0.711609      3.892240      3.945429
  H      -1.202544      2.200411      3.793671
  H      -1.707496      3.986000      6.244878
  H      -0.474618      2.701706      6.179378
  H      -4.800317      3.481217      8.254609
  H      -3.770508      4.390845      7.132780
  H      -3.591551      1.419615      7.856923
  H      -2.359644      2.663264      8.219640
  C      -4.585744     -0.688476      3.765419
  C      -3.583595     -1.458926      2.885535
  C      -2.689300     -0.547609      2.071340
  O      -3.528659      0.102236      1.081148
  C      -3.232559      1.299149      0.540834
  C      -4.287468      1.953307     -0.085106
  C      -4.092990      3.210488     -0.673592
  N      -2.939526      3.870454     -0.685914
  C      -1.885066      3.244742     -0.092265
  C      -0.630767      3.904111     -0.083063
  C       0.463880      3.287014      0.479242
  C       0.302423      1.994348      1.025601
  N      -0.848578      1.342790      1.057142
  C      -1.949256      1.947018      0.528257
  C      -2.953332      5.013918      3.895739
  C      -4.300269      5.557242      3.421312
  C      -4.412098      5.726513      1.901674
  O      -5.564090      5.064547      1.316931
  C      -6.793480      5.461166      1.672358
  C      -7.092455      6.537558      2.498162
  C      -8.438351      6.813965      2.812008
  N      -9.484798      6.128011      2.377890
  C      -9.212863      5.083824      1.536774
  C     -10.288889      4.328523      1.011402
  C     -10.025709      3.278270      0.159620
  C      -8.682135      2.982373     -0.161378
  N      -7.641963      3.657626      0.304080
  C      -7.891453      4.697799      1.142881
  C      -6.529000      2.980516      6.417308
  C      -7.257584      4.241129      5.911318
  C      -8.707903      3.965442      5.554193
  O      -8.670388      2.965938      4.513254
  C      -9.810458      2.481452      4.008883
  C     -11.092160      2.913717      4.317236
  C     -12.188798      2.309365      3.666857
  N     -12.112044      1.336641      2.769602
  C     -10.855178      0.894158      2.463288
  C     -10.694638     -0.137397      1.505758
  C      -9.425672     -0.568641      1.179549
  C      -8.315790      0.025562      1.820049
  N      -8.418805      0.984382      2.729079
  C      -9.663623      1.423044      3.049391
  H      -5.173655     -1.419733      4.355479
  H      -5.289648     -0.150820      3.117747
  H      -2.926854     -2.091795      3.505257
  H      -4.134909     -2.142566      2.218983
  H      -1.889336     -1.097657      1.557450
  H      -2.232319      0.213578      2.714930
  H      -5.278140      1.499310     -0.076751
  H      -4.951336      3.712447     -1.127432
  H      -0.573775      4.894580     -0.538122
  H       1.442236      3.769609      0.498257
  H       1.164172      1.473954      1.456334
  H      -2.142375      5.492906      3.306467
  H      -2.802804      5.367126      4.940645
  H      -4.479062      6.519045      3.924423
  H      -5.092672      4.872237      3.758274
  H      -3.571601      5.245650      1.386688
  H      -4.437852      6.787697      1.604793
  H      -6.309121      7.163048      2.920957
  H      -8.655874      7.657504      3.476337
  H     -11.304005      4.600400      1.304379
  H     -10.831248      2.672330     -0.256179
  H      -8.456916      2.146892     -0.832012
  H      -6.751982      2.821675      7.489656
  H      -6.948140      2.118112      5.878584
  H      -6.745491      4.587455      5.002746
  H      -7.215437      5.056376      6.650389
  H      -9.211336      4.869509      5.175340
  H      -9.282714      3.569106      6.409934
  H     -11.265475      3.719954      5.028096
  H     -13.196866      2.662917      3.908226
  H     -11.589974     -0.559218      1.045563
  H      -9.267918     -1.355762      0.440755
  H      -7.299059     -0.297824      1.573760
  N      -5.598368      2.453142      3.174814
  H      -5.469730      2.990761      2.316579
  H      -6.522693      2.003724      3.153054
101
Coordinates from ORCA-job orca E -6430.122917391202
  N      -3.973713      0.313170      4.623850
  Mo     -4.214432      2.289174      4.588706
  N      -5.084624      3.005741      6.205218
  C      -4.221151      3.401463      7.312558
  C      -3.127779      2.345911      7.480345
  N      -2.518016      2.053005      6.159337
  C      -2.040151      0.652493      6.055853
  C      -3.202032     -0.269131      5.719109
  C      -1.458789      3.020788      5.777864
  C      -1.482728      3.174859      4.252724
  N      -2.814757      3.583469      3.803824
  H      -2.787982     -1.257197      5.449660
  H      -3.840484     -0.435628      6.611562
  H      -1.318083      0.617903      5.228296
  H      -1.520126      0.343726      6.981539
  H      -0.712661      3.905985      3.940584
  H      -1.210644      2.217518      3.777714
  H      -1.701556      3.986801      6.243068
  H      -0.474417      2.697769      6.165242
  H      -4.792719      3.480993      8.254741
  H      -3.761906      4.394175      7.136311
  H      -3.593381      1.417303      7.840627
  H      -2.356094      2.653672      8.210085
  C      -4.618069     -0.662511      3.750002
  C      -3.633332     -1.451516      2.866683
  C      -2.719228     -0.558087      2.054841
  O      -3.545112      0.110450      1.065376
  C      -3.231758      1.307811      0.536418
  C      -4.276226      1.982233     -0.085893
  C      -4.062957      3.241658     -0.662878
  N      -2.900084      3.885312     -0.667116
  C      -1.855118      3.238197     -0.079638
  C      -0.590893      3.878183     -0.065163
  C       0.494688      3.239339      0.490646
  C       0.314260      1.943298      1.023181
  N      -0.846389      1.308832      1.048278
  C      -1.938645      1.935505      0.527993
  C      -2.952393      5.036437      3.900316
  C      -4.301813      5.582395      3.434928
  C      -4.418826      5.765168      1.917143
  O      -5.557319      5.084972      1.327171
  C      -6.794731      5.458323      1.679065
  C      -7.115552      6.528128      2.505328
  C      -8.467539      6.782067      2.811981
  N      -9.500274      6.080947      2.369910
  C      -9.207032      5.042665      1.528441
  C     -10.267909      4.272527      0.994168
  C      -9.983318      3.228923      0.141233
  C      -8.633324      2.954218     -0.171712
  N      -7.606482      3.643660      0.302433
  C      -7.877328      4.677813      1.142270
  C      -6.526855      2.992142      6.419084
  C      -7.258862      4.251505      5.915275
  C      -8.709558      3.972344      5.563244
  O      -8.672160      2.972579      4.522680
  C      -9.812001      2.479557      4.026177
  C     -11.094833      2.901992      4.343389
  C     -12.191175      2.290315      3.699272
  N     -12.113037      1.319142      2.800562
  C     -10.855049      0.885629      2.486259
  C     -10.693201     -0.143967      1.526844
  C      -9.423367     -0.565896      1.192285
  C      -8.313724      0.035601      1.826341
  N      -8.417778      0.993098      2.736593
  C      -9.663644      1.422593      3.065288
  H      -5.213668     -1.382900      4.345756
  H      -5.317585     -0.116753      3.104258
  H      -2.990070     -2.100017      3.484549
  H      -4.199855     -2.121227      2.199143
  H      -1.930137     -1.123385      1.540854
  H      -2.247314      0.191698      2.700991
  H      -5.273771      1.543407     -0.081649
  H      -4.913105      3.760248     -1.112994
  H      -0.519002      4.871399     -0.512053
  H       1.480716      3.705969      0.511280
  H       1.168498      1.405222      1.447705
  H      -2.143484      5.516434      3.309310
  H      -2.796812      5.384911      4.946081
  H      -4.481401      6.539448      3.946595
  H      -5.091615      4.892647      3.768473
  H      -3.569777      5.306102      1.396965
  H      -4.465827      6.828257      1.630042
  H      -6.344901      7.165267      2.933931
  H      -8.702511      7.620847      3.476493
  H     -11.288945      4.528127      1.281234
  H     -10.776857      2.611757     -0.281178
  H      -8.391457      2.123905     -0.842817
  H      -6.746590      2.832919      7.492031
  H      -6.946359      2.129007      5.881759
  H      -6.750395      4.598341      5.004882
  H      -7.216009      5.067177      6.653806
  H      -9.217002      4.874684      5.185552
  H      -9.280380      3.574886      6.421157
  H     -11.269469      3.706127      5.056290
  H     -13.200244      2.636387      3.947202
  H     -11.588357     -0.571838      1.071928
  H      -9.264675     -1.351479      0.452029
  H      -7.296333     -0.280136      1.573296
  N      -5.602935      2.489386      3.168712
  H      -5.474824      3.036217      2.316183
  H      -6.530575      2.047036      3.146541
101
Coordinates from ORCA-job orca E -6430.122913479487
  N      -3.966405      0.306461      4.620024
  Mo     -4.213231      2.281556      4.586529
  N      -5.081389      2.995343      6.205327
  C      -4.216914      3.393695      7.311103
  C      -3.121663      2.340025      7.477783
  N      -2.513692      2.048242      6.155624
  C      -2.033680      0.648531      6.051978
  C      -3.195183     -0.274521      5.716522
  C      -1.456434      3.017992      5.772684
  C      -1.483967      3.173841      4.247789
  N      -2.817852      3.580540      3.801564
  H      -2.780660     -1.262854      5.448575
  H      -3.833859     -0.440048      6.608795
  H      -1.312578      0.614715      5.223534
  H      -1.512009      0.341162      6.977231
  H      -0.715986      3.906855      3.934913
  H      -1.211193      2.217297      3.771382
  H      -1.699444      3.982895      6.240100
  H      -0.470695      2.695826      6.157113
  H      -4.786878      3.473741      8.254044
  H      -3.759355      4.386666      7.132531
  H      -3.585363      1.410900      7.839016
  H      -2.349168      2.649138      8.206103
  C      -4.598594     -0.669136      3.737463
  C      -3.601220     -1.452549      2.863085
  C      -2.689402     -0.554404      2.053466
  O      -3.512016      0.100688      1.053003
  C      -3.208006      1.301901      0.526743
  C      -4.255384      1.967094     -0.099702
  C      -4.050935      3.229420     -0.673452
  N      -2.894682      3.884747     -0.668804
  C      -1.846493      3.246543     -0.077578
  C      -0.588166      3.897860     -0.055746
  C       0.500989      3.266085      0.500955
  C       0.329898      1.967537      1.029916
  N      -0.825483      1.323059      1.050353
  C      -1.920643      1.941370      0.526036
  C      -2.960217      5.032071      3.905622
  C      -4.311196      5.574688      3.440724
  C      -4.427890      5.763749      1.923453
  O      -5.564575      5.084601      1.326728
  C      -6.805193      5.451953      1.676681
  C      -7.135188      6.518085      2.504263
  C      -8.489513      6.761837      2.808960
  N      -9.516638      6.053729      2.364118
  C      -9.214367      5.020279      1.520043
  C     -10.268256      4.241228      0.984374
  C      -9.974167      3.201532      0.129401
  C      -8.622058      2.942809     -0.187322
  N      -7.601648      3.640421      0.288948
  C      -7.881457      4.667761      1.133760
  C      -6.523100      2.983147      6.421625
  C      -7.252627      4.246032      5.923566
  C      -8.705666      3.974099      5.575344
  O      -8.677833      2.973984      4.534937
  C      -9.823326      2.498235      4.035063
  C     -11.099460      2.950844      4.337384
  C     -12.202745      2.361279      3.684664
  N     -12.137221      1.386052      2.789372
  C     -10.886222      0.922161      2.490628
  C     -10.737598     -0.110383      1.532456
  C      -9.474435     -0.564470      1.214808
  C      -8.358516      0.009061      1.863556
  N      -8.450466      0.971012      2.770399
  C      -9.689226      1.432366      3.081989
  H      -5.197342     -1.393507      4.325144
  H      -5.293637     -0.124344      3.086244
  H      -2.957148     -2.093850      3.487412
  H      -4.157493     -2.129063      2.193503
  H      -1.890690     -1.114789      1.549202
  H      -2.230569      0.204420      2.698760
  H      -5.248132      1.517472     -0.102885
  H      -4.903811      3.741325     -1.126027
  H      -0.523384      4.893435     -0.498473
  H       1.482675      3.741514      0.527559
  H       1.187036      1.436145      1.456250
  H      -2.151705      5.517910      3.318709
  H      -2.808002      5.376463      4.953332
  H      -4.494041      6.529008      3.956400
  H      -5.099021      4.881199      3.771651
  H      -3.576514      5.309498      1.401984
  H      -4.477008      6.828276      1.641834
  H      -6.369983      7.159328      2.936072
  H      -8.731499      7.597525      3.474756
  H     -11.291405      4.485378      1.273964
  H     -10.761587      2.574853     -0.290967
  H      -8.371878      2.116852     -0.860914
  H      -6.741094      2.820791      7.494521
  H      -6.945099      2.122790      5.881782
  H      -6.745868      4.593965      5.012388
  H      -7.204468      5.059637      6.664084
  H      -9.208545      4.879432      5.198669
  H      -9.276699      3.580427      6.434805
  H     -11.262815      3.764097      5.042576
  H     -13.206095      2.732296      3.919493
  H     -11.636976     -0.513150      1.063603
  H      -9.325688     -1.353273      0.475950
  H      -7.345874     -0.331411      1.623145
  N      -5.602022      2.479385      3.166821
  H      -5.470379      3.016030      2.308269
  H      -6.533899      2.045180      3.150692
101
Coordinates from ORCA-job orca E -6430.122950505340
  N      -3.978972      0.314406      4.604459
  Mo     -4.221281      2.290218      4.575214
  N      -5.085465      3.003512      6.196228
  C      -4.218197      3.397907      7.301331
  C      -3.125628      2.341036      7.465192
  N      -2.520266      2.049678      6.141758
  C      -2.044178      0.648919      6.035184
  C      -3.208311     -0.270452      5.699295
  C      -1.460883      3.017047      5.758832
  C      -1.490223      3.174971      4.234166
  N      -2.823413      3.586523      3.790459
  H      -2.796522     -1.259336      5.429376
  H      -3.846689     -0.435880      6.591837
  H      -1.324027      0.614610      5.205924
  H      -1.522345      0.338470      6.959300
  H      -0.720406      3.905820      3.920791
  H      -1.221376      2.218057      3.756349
  H      -1.700400      3.981880      6.228177
  H      -0.475463      2.691460      6.141220
  H      -4.786656      3.478824      8.245090
  H      -3.757873      4.389646      7.123075
  H      -3.591296      1.412643      7.825796
  H      -2.351285      2.647120      8.192819
  C      -4.617528     -0.657596      3.722511
  C      -3.625812     -1.449125      2.848938
  C      -2.701796     -0.558038      2.045287
  O      -3.514227      0.110140      1.044878
  C      -3.198331      1.313405      0.530326
  C      -4.238135      1.994199     -0.092089
  C      -4.020601      3.260232     -0.652825
  N      -2.858292      3.904686     -0.639218
  C      -1.817108      3.250575     -0.052836
  C      -0.552396      3.888942     -0.023421
  C       0.530247      3.239902      0.526312
  C       0.346134      1.936993      1.040008
  N      -0.815930      1.304388      1.053716
  C      -1.904820      1.940059      0.537128
  C      -2.960692      5.038473      3.897357
  C      -4.310273      5.587028      3.435747
  C      -4.428837      5.781504      1.919374
  O      -5.560860      5.095951      1.321920
  C      -6.802833      5.455128      1.675129
  C      -7.136947      6.518711      2.504257
  C      -8.492053      6.755528      2.810678
  N      -9.516133      6.042876      2.366201
  C      -9.209723      5.010779      1.521927
  C     -10.260314      4.227410      0.986376
  C      -9.961908      3.189313      0.130990
  C      -8.608698      2.934810     -0.184368
  N      -7.591087      3.637318      0.290863
  C      -7.875465      4.664489      1.134545
  C      -6.526888      2.992865      6.414797
  C      -7.255935      4.255873      5.916180
  C      -8.709347      3.983646      5.569864
  O      -8.682007      2.983806      4.529091
  C      -9.827341      2.496367      4.040155
  C     -11.105307      2.933549      4.357049
  C     -12.209025      2.327652      3.720184
  N     -12.142323      1.349042      2.828691
  C     -10.889316      0.900160      2.515771
  C     -10.739908     -0.138235      1.564042
  C      -9.475189     -0.577382      1.232196
  C      -8.358367      0.016793      1.860495
  N      -8.450700      0.983580      2.762196
  C      -9.691399      1.429679      3.088193
  H      -5.222506     -1.377013      4.309999
  H      -5.307750     -0.107880      3.070304
  H      -2.990811     -2.100028      3.472570
  H      -4.187665     -2.117019      2.175442
  H      -1.908196     -1.125616      1.540814
  H      -2.236216      0.192865      2.694851
  H      -5.235238      1.554592     -0.101575
  H      -4.867482      3.784052     -1.103259
  H      -0.477310      4.888495     -0.455411
  H       1.516715      3.704990      0.558197
  H       1.198247      1.391417      1.458717
  H      -2.151677      5.522147      3.309384
  H      -2.804882      5.380536      4.945240
  H      -4.489729      6.540398      3.954465
  H      -5.100000      4.895176      3.765614
  H      -3.574779      5.336368      1.394553
  H      -4.486507      6.846771      1.642199
  H      -6.374258      7.163406      2.935584
  H      -8.737509      7.589726      3.477089
  H     -11.284571      4.467948      1.275104
  H     -10.746997      2.561183     -0.291241
  H      -8.355361      2.110111     -0.858313
  H      -6.743487      2.831626      7.488070
  H      -6.950604      2.132375      5.876455
  H      -6.749842      4.602566      5.004162
  H      -7.206707      5.070036      6.656006
  H      -9.213652      4.888615      5.194331
  H      -9.278549      3.588940      6.430078
  H     -11.270428      3.745373      5.063475
  H     -13.214092      2.685799      3.967260
  H     -11.640202     -0.558556      1.112430
  H      -9.325921     -1.370489      0.498055
  H      -7.344851     -0.312731      1.609361
  N      -5.613233      2.493042      3.158959
  H      -5.483407      3.034816      2.303431
  H      -6.541122      2.051023      3.138969
101
Coordinates from ORCA-job orca E -6430.122964574167
  N      -3.991819      0.323479      4.585157
  Mo     -4.231488      2.299824      4.561943
  N      -5.088972      3.010626      6.187378
  C      -4.217438      3.402224      7.290122
  C      -3.126782      2.342857      7.449255
  N      -2.526296      2.052465      6.123504
  C      -2.054138      0.650698      6.013286
  C      -3.221326     -0.265111      5.678118
  C      -1.465788      3.018052      5.739108
  C      -1.500396      3.179421      4.214969
  N      -2.833828      3.595591      3.776570
  H      -2.812365     -1.254554      5.406363
  H      -3.858830     -0.430102      6.571361
  H      -1.335828      0.615879      5.182428
  H      -1.531104      0.337207      6.935680
  H      -0.729550      3.908435      3.899897
  H      -1.236344      2.222542      3.734679
  H      -1.700725      3.982241      6.212006
  H      -0.479842      2.688651      6.116811
  H      -4.782846      3.483714      8.235662
  H      -3.755470      4.393049      7.110997
  H      -3.593454      1.414890      7.809695
  H      -2.349583      2.646105      8.174990
  C      -4.631963     -0.644657      3.700007
  C      -3.641835     -1.444220      2.831768
  C      -2.701573     -0.561679      2.037402
  O      -3.497614      0.115854      1.029920
  C      -3.170604      1.322513      0.530114
  C      -4.201708      2.017903     -0.090552
  C      -3.971450      3.288696     -0.635222
  N      -2.804542      3.924324     -0.607223
  C      -1.771130      3.255068     -0.024200
  C      -0.501368      3.882450      0.018195
  C       0.574128      3.216629      0.562111
  C       0.377876      1.907946      1.056181
  N      -0.789754      1.285345      1.058411
  C      -1.871913      1.937941      0.548757
  C      -2.966820      5.047986      3.885117
  C      -4.314165      5.602775      3.424124
  C      -4.433179      5.799440      1.908108
  O      -5.559196      5.105299      1.310130
  C      -6.802651      5.454295      1.668044
  C      -7.141132      6.513515      2.500872
  C      -8.496882      6.740585      2.811572
  N      -9.517440      6.021898      2.368748
  C      -9.206676      4.992897      1.522192
  C     -10.253226      4.202269      0.989669
  C      -9.950023      3.166254      0.133408
  C      -8.596053      2.920688     -0.185410
  N      -7.581884      3.630519      0.286485
  C      -7.871204      4.656112      1.130528
  C      -6.529546      2.997057      6.412220
  C      -7.263124      4.259172      5.918214
  C      -8.717677      3.984606      5.578893
  O      -8.693762      2.987611      4.535262
  C      -9.840805      2.493923      4.056732
  C     -11.117977      2.925074      4.384793
  C     -12.224512      2.312963      3.758898
  N     -12.161141      1.333574      2.868107
  C     -10.908849      0.890572      2.544113
  C     -10.763475     -0.149297      1.593453
  C      -9.499903     -0.583044      1.250698
  C      -8.380145      0.018414      1.866646
  N      -8.468226      0.987214      2.766706
  C      -9.708130      1.427255      3.104168
  H      -5.245978     -1.359435      4.283879
  H      -5.314219     -0.089787      3.043693
  H      -3.019134     -2.104084      3.458340
  H      -4.205935     -2.104025      2.152318
  H      -1.909468     -1.137139      1.539493
  H      -2.233940      0.183514      2.691926
  H      -5.202241      1.586645     -0.110294
  H      -4.811412      3.823712     -1.085455
  H      -0.416376      4.886988     -0.400183
  H       1.564451      3.672735      0.602955
  H       1.224430      1.348947      1.468632
  H      -2.156410      5.528935      3.296886
  H      -2.809002      5.388886      4.933036
  H      -4.489586      6.556827      3.943134
  H      -5.106892      4.914606      3.754363
  H      -3.575206      5.363683      1.381815
  H      -4.500964      6.864760      1.633518
  H      -6.381194      7.161747      2.932196
  H      -8.746024      7.571659      3.480557
  H     -11.278349      4.435622      1.281305
  H     -10.732005      2.532833     -0.286584
  H      -8.338830      2.097333     -0.859493
  H      -6.740962      2.834502      7.486272
  H      -6.954210      2.136214      5.875159
  H      -6.762192      4.607736      5.004203
  H      -7.211868      5.072667      6.658638
  H      -9.226005      4.889257      5.208245
  H      -9.281384      3.586456      6.441138
  H     -11.280603      3.736876      5.091773
  H     -13.229011      2.666583      4.014622
  H     -11.666002     -0.575552      1.151864
  H      -9.353706     -1.377575      0.517470
  H      -7.367802     -0.307493      1.606838
  N      -5.628133      2.505926      3.150698
  H      -5.501202      3.050272      2.296446
  H      -6.556376      2.064865      3.134319
101
Coordinates from ORCA-job orca E -6430.122977703420
  N      -4.001932      0.331418      4.562346
  Mo     -4.240656      2.308073      4.543593
  N      -5.090750      3.018188      6.172854
  C      -4.214595      3.408821      7.272418
  C      -3.125661      2.347268      7.428114
  N      -2.530593      2.055951      6.100104
  C      -2.062125      0.653167      5.988420
  C      -3.232602     -0.259201      5.655150
  C      -1.468919      3.018968      5.712056
  C      -1.510356      3.182184      4.188384
  N      -2.844437      3.603741      3.757124
  H      -2.826969     -1.250049      5.383948
  H      -3.869775     -0.421365      6.549041
  H      -1.345451      0.616410      5.156219
  H      -1.538138      0.338271      6.909786
  H      -0.738542      3.908699      3.870027
  H      -1.252263      2.224627      3.706234
  H      -1.698386      3.983014      6.187926
  H      -0.482174      2.685730      6.084159
  H      -4.776591      3.492850      8.219677
  H      -3.750936      4.398262      7.090283
  H      -3.593239      1.420320      7.789941
  H      -2.345277      2.648741      8.151147
  C      -4.642680     -0.634092      3.674725
  C      -3.653538     -1.444760      2.815662
  C      -2.696294     -0.573973      2.028711
  O      -3.475259      0.111197      1.013174
  C      -3.140845      1.324161      0.533474
  C      -4.164876      2.034531     -0.081484
  C      -3.924172      3.311947     -0.605728
  N      -2.754085      3.940912     -0.560313
  C      -1.726958      3.256276      0.015989
  C      -0.453124      3.874021      0.073061
  C       0.616854      3.189851      0.605270
  C       0.410914      1.873292      1.073534
  N      -0.761575      1.259558      1.063765
  C      -1.838114      1.930020      0.565412
  C      -2.972283      5.055834      3.873175
  C      -4.319806      5.618105      3.421907
  C      -4.446822      5.825385      1.907921
  O      -5.566115      5.122169      1.307892
  C      -6.812654      5.456017      1.670787
  C      -7.160972      6.507419      2.509488
  C      -8.518701      6.718721      2.822499
  N      -9.532292      5.992121      2.376423
  C      -9.211772      4.970555      1.524502
  C     -10.250270      4.171728      0.988607
  C      -9.936687      3.142891      0.127213
  C      -8.580556      2.912595     -0.193104
  N      -7.573397      3.630910      0.281436
  C      -7.873147      4.649395      1.130535
  C      -6.530488      3.005312      6.403309
  C      -7.264874      4.268236      5.912876
  C      -8.721149      3.994891      5.580400
  O      -8.702533      2.999534      4.535105
  C      -9.851754      2.498958      4.069142
  C     -11.127703      2.924992      4.408455
  C     -12.237454      2.305296      3.795921
  N     -12.178109      1.322949      2.908175
  C     -10.926928      0.884726      2.573405
  C     -10.786257     -0.158497      1.625853
  C      -9.524171     -0.588234      1.272860
  C      -8.401228      0.021397      1.874747
  N      -8.484409      0.994421      2.770823
  C      -9.723150      1.429631      3.119015
  H      -5.267499     -1.342510      4.255059
  H      -5.315082     -0.074758      3.012036
  H      -3.044558     -2.112488      3.447316
  H      -4.219699     -2.097688      2.131291
  H      -1.906549     -1.159278      1.538696
  H      -2.225988      0.167050      2.686181
  H      -5.168086      1.610243     -0.112307
  H      -4.758403      3.858460     -1.052751
  H      -0.360023      4.885564     -0.326308
  H       1.610417      3.637861      0.655934
  H       1.253370      1.299682      1.474108
  H      -2.163072      5.536351      3.282926
  H      -2.807911      5.391487      4.921813
  H      -4.488568      6.570135      3.947004
  H      -5.113802      4.931891      3.753438
  H      -3.585028      5.405995      1.374460
  H      -4.529936      6.892041      1.642853
  H      -6.407264      7.160742      2.944043
  H      -8.775850      7.543731      3.495948
  H     -11.277707      4.393202      1.281512
  H     -10.712291      2.503475     -0.295486
  H      -8.314879      2.094988     -0.870951
  H      -6.737619      2.842574      7.478140
  H      -6.957967      2.144920      5.867727
  H      -6.767966      4.616697      4.996539
  H      -7.209510      5.081452      6.653328
  H      -9.230988      4.900193      5.213515
  H      -9.280628      3.595503      6.444804
  H     -11.287261      3.738133      5.114557
  H     -13.241077      2.654900      4.060460
  H     -11.691166     -0.590584      1.194950
  H      -9.381479     -1.385566      0.541986
  H      -7.390316     -0.301625      1.606159
  N      -5.642025      2.515221      3.137116
  H      -5.515264      3.056024      2.280663
  H      -6.567729      2.069114      3.121529
101
Coordinates from ORCA-job orca E -6430.122991037865
  N      -4.005651      0.337612      4.549840
  Mo     -4.244003      2.314624      4.532173
  N      -5.089061      3.025490      6.163425
  C      -4.210022      3.417013      7.260426
  C      -3.121893      2.354516      7.414869
  N      -2.530404      2.061203      6.085721
  C      -2.064541      0.657537      5.974759
  C      -3.237579     -0.252557      5.643899
  C      -1.467998      3.022081      5.694070
  C      -1.514804      3.185381      4.170681
  N      -2.849491      3.610321      3.744524
  H      -2.834797     -1.245177      5.375180
  H      -3.874757     -0.410568      6.538453
  H      -1.348727      0.618170      5.141927
  H      -1.540242      0.342764      6.895985
  H      -0.742401      3.909791      3.849038
  H      -1.260911      2.226838      3.688253
  H      -1.693192      3.986372      6.171467
  H      -0.480638      2.686194      6.062037
  H      -4.769833      3.503331      8.208712
  H      -3.745766      4.405588      7.075371
  H      -3.589866      1.428455      7.778437
  H      -2.339532      2.655654      8.135880
  C      -4.646397     -0.628122      3.662366
  C      -3.658039     -1.448945      2.812243
  C      -2.690851     -0.589037      2.025775
  O      -3.460429      0.096583      1.003546
  C      -3.126410      1.315435      0.538508
  C      -4.149873      2.035115     -0.065988
  C      -3.907129      3.318978     -0.573200
  N      -2.736279      3.945973     -0.518531
  C      -1.709479      3.251724      0.046679
  C      -0.434040      3.865430      0.110515
  C       0.635827      3.169624      0.627908
  C       0.428084      1.846253      1.075541
  N      -0.746412      1.236093      1.060551
  C      -1.822344      1.917579      0.575980
  C      -2.973929      5.062207      3.864667
  C      -4.322089      5.629881      3.421740
  C      -4.456566      5.846889      1.909593
  O      -5.570146      5.136858      1.306946
  C      -6.819451      5.457881      1.672818
  C      -7.176624      6.500100      2.519262
  C      -8.536226      6.697271      2.833411
  N      -9.543592      5.965743      2.381277
  C      -9.214358      4.953553      1.521511
  C     -10.245720      4.150108      0.978790
  C      -9.922859      3.130686      0.109504
  C      -8.564791      2.914368     -0.211691
  N      -7.563908      3.637449      0.269117
  C      -7.872894      4.646677      1.125936
  C      -6.528066      3.009852      6.398689
  C      -7.266478      4.272213      5.913234
  C      -8.723663      3.996974      5.586355
  O      -8.707801      3.006062      4.536783
  C      -9.858184      2.501421      4.077947
  C     -11.133359      2.922376      4.426360
  C     -12.245007      2.299196      3.820928
  N     -12.187993      1.318327      2.931412
  C     -10.937485      0.885488      2.587169
  C     -10.799578     -0.155321      1.636621
  C      -9.538351     -0.580136      1.274576
  C      -8.413604      0.032308      1.870106
  N      -8.493913      1.003732      2.768260
  C      -9.731931      1.433971      3.125417
  H      -5.278818     -1.330645      4.241739
  H      -5.311784     -0.067417      2.993771
  H      -3.057632     -2.118981      3.449660
  H      -4.225725     -2.100250      2.127584
  H      -1.903152     -1.182431      1.542377
  H      -2.218031      0.152242      2.681311
  H      -5.154038      1.613269     -0.101620
  H      -4.740378      3.872631     -1.013050
  H      -0.339150      4.883068     -0.272657
  H       1.630753      3.614114      0.682623
  H       1.270400      1.263796      1.463370
  H      -2.166066      5.542503      3.272395
  H      -2.804435      5.394505      4.913589
  H      -4.485132      6.580152      3.951952
  H      -5.116873      4.945248      3.754817
  H      -3.591581      5.441543      1.370331
  H      -4.552601      6.914663      1.653485
  H      -6.428624      7.156090      2.959555
  H      -8.800557      7.514799      3.513203
  H     -11.275225      4.360588      1.272660
  H     -10.692725      2.487899     -0.318589
  H      -8.291588      2.104368     -0.895669
  H      -6.731018      2.845201      7.474039
  H      -6.955906      2.149439      5.863435
  H      -6.774169      4.623243      4.995338
  H      -7.209398      5.084277      6.654839
  H      -9.236976      4.902609      5.225234
  H      -9.278506      3.593123      6.451639
  H     -11.291064      3.734082      5.134522
  H     -13.248092      2.644615      4.092901
  H     -11.705871     -0.589262      1.210562
  H      -9.397656     -1.375577      0.541268
  H      -7.403522     -0.287019      1.593791
  N      -5.647791      2.521180      3.128320
  H      -5.522340      3.061489      2.271421
  H      -6.575482      2.079010      3.117954
101
Coordinates from ORCA-job orca E -6430.123006386953
  N      -4.016435      0.354194      4.516753
  Mo     -4.251423      2.332308      4.505071
  N      -5.084877      3.042224      6.142345
  C      -4.198717      3.432164      7.234200
  C      -3.112920      2.366645      7.382932
  N      -2.529788      2.071756      6.050597
  C      -2.070624      0.666074      5.937429
  C      -3.249826     -0.237835      5.611051
  C      -1.465709      3.028559      5.653123
  C      -1.523768      3.194835      4.130542
  N      -2.859549      3.627361      3.715330
  H      -2.853942     -1.233748      5.344706
  H      -3.885892     -0.388986      6.507560
  H      -1.357675      0.622859      5.102309
  H      -1.544843      0.348852      6.856943
  H      -0.750067      3.915199      3.803156
  H      -1.278690      2.235069      3.646115
  H      -1.681631      3.992570      6.135262
  H      -0.477225      2.686294      6.011919
  H      -4.753295      3.520909      8.185290
  H      -3.732862      4.419216      7.045566
  H      -3.581942      1.441860      7.748451
  H      -2.325882      2.665067      8.099929
  C      -4.663753     -0.609991      3.632148
  C      -3.681470     -1.454722      2.798890
  C      -2.689809     -0.619765      2.016261
  O      -3.434388      0.070895      0.978797
  C      -3.096496      1.300645      0.545357
  C      -4.113611      2.039235     -0.046116
  C      -3.861967      3.334855     -0.517931
  N      -2.689367      3.955930     -0.437608
  C      -1.668062      3.242160      0.112642
  C      -0.389552      3.846591      0.198076
  C       0.675522      3.128525      0.694852
  C       0.459929      1.793018      1.100523
  N      -0.718538      1.190730      1.066460
  C      -1.789383      1.893872      0.601938
  C      -2.976464      5.079206      3.842155
  C      -4.326394      5.657528      3.417484
  C      -4.477152      5.897230      1.909836
  O      -5.575823      5.169382      1.301517
  C      -6.831152      5.459198      1.673827
  C      -7.208805      6.480827      2.536343
  C      -8.571990      6.643841      2.854656
  N      -9.564246      5.898201      2.392474
  C      -9.215119      4.906471      1.516826
  C     -10.229621      4.089000      0.963324
  C      -9.885841      3.090056      0.078255
  C      -8.524107      2.908014     -0.247487
  N      -7.538146      3.644844      0.243597
  C      -7.867907      4.634321      1.115543
  C      -6.521790      3.018783      6.390240
  C      -7.270502      4.280370      5.919494
  C      -8.729839      4.000613      5.606704
  O      -8.720466      3.019451      4.548135
  C      -9.873132      2.508347      4.101964
  C     -11.146641      2.919707      4.467382
  C     -12.261548      2.290871      3.873930
  N     -12.208788      1.313634      2.980131
  C     -10.959723      0.890857      2.618493
  C     -10.826449     -0.145378      1.662336
  C      -9.566755     -0.561386      1.284618
  C      -8.439110      0.055504      1.869854
  N      -8.514803      1.023489      2.772039
  C      -9.751318      1.445250      3.144280
  H      -5.312368     -1.297768      4.211508
  H      -5.314621     -0.044872      2.952979
  H      -3.101593     -2.132158      3.447439
  H      -4.254563     -2.099634      2.112716
  H      -1.907914     -1.231913      1.547150
  H      -2.210169      0.118567      2.670176
  H      -5.119711      1.623605     -0.098571
  H      -4.689479      3.903090     -0.949401
  H      -0.287503      4.874978     -0.153289
  H       1.673002      3.565164      0.764287
  H       1.298455      1.193622      1.470075
  H      -2.172080      5.558413      3.244359
  H      -2.795228      5.405682      4.890963
  H      -4.478621      6.602859      3.959888
  H      -5.121887      4.974533      3.752418
  H      -3.604776      5.525317      1.358189
  H      -4.604051      6.966538      1.674320
  H      -6.474404      7.145179      2.986859
  H      -8.852780      7.444839      3.547486
  H     -11.263115      4.272538      1.261457
  H     -10.642097      2.437026     -0.358672
  H      -8.234227      2.114515     -0.943827
  H      -6.714009      2.847235      7.466512
  H      -6.950615      2.159190      5.854352
  H      -6.790031      4.638669      4.998054
  H      -7.208855      5.088715      6.664792
  H      -9.251510      4.906671      5.258957
  H      -9.273359      3.586643      6.474337
  H     -11.300903      3.728141      5.180044
  H     -13.263503      2.628334      4.159681
  H     -11.734968     -0.582784      1.244716
  H      -9.429395     -1.353317      0.546902
  H      -7.430408     -0.257282      1.580840
  N      -5.661050      2.543232      3.108506
  H      -5.538553      3.086619      2.253306
  H      -6.590158      2.103777      3.103532
101
Coordinates from ORCA-job orca E -6430.123016360895
  N      -4.014294      0.353320      4.521387
  Mo     -4.252034      2.331217      4.511824
  N      -5.086469      3.039591      6.149450
  C      -4.201156      3.429298      7.242068
  C      -3.114324      2.364758      7.390332
  N      -2.530650      2.071450      6.057901
  C      -2.069767      0.666284      5.943906
  C      -3.247981     -0.238370      5.616192
  C      -1.467735      3.030019      5.661579
  C      -1.524582      3.196022      4.138945
  N      -2.860548      3.626343      3.721453
  H      -2.851767     -1.234172      5.349970
  H      -3.884614     -0.389825      6.512308
  H      -1.356215      0.624616      5.109238
  H      -1.544307      0.348955      6.863543
  H      -0.751510      3.917025      3.811669
  H      -1.277756      2.236076      3.655743
  H      -1.685468      3.993573      6.143798
  H      -0.479003      2.689174      6.021055
  H      -4.756334      3.516565      8.192952
  H      -3.736222      4.417010      7.054760
  H      -3.582433      1.439248      7.755232
  H      -2.327556      2.663458      8.107491
  C      -4.659505     -0.611273      3.635594
  C      -3.674651     -1.452439      2.801673
  C      -2.686594     -0.614298      2.017677
  O      -3.433857      0.074809      0.980920
  C      -3.096810      1.304379      0.545602
  C      -4.115874      2.044509     -0.040437
  C      -3.864095      3.339073     -0.515413
  N      -2.689256      3.956734     -0.444856
  C      -1.666103      3.241238      0.099655
  C      -0.385051      3.841824      0.173526
  C       0.681359      3.121766      0.664533
  C       0.464547      1.788075      1.075593
  N      -0.715954      1.189230      1.051585
  C      -1.787886      1.894559      0.592922
  C      -2.979077      5.078543      3.843905
  C      -4.329493      5.655565      3.418531
  C      -4.480785      5.893511      1.910553
  O      -5.577882      5.163828      1.302134
  C      -6.834143      5.452111      1.672024
  C      -7.215165      6.470545      2.536694
  C      -8.579407      6.630573      2.852254
  N      -9.569621      5.885265      2.385110
  C      -9.217146      4.897409      1.506494
  C     -10.229277      4.081027      0.946865
  C      -9.881846      3.086293      0.058485
  C      -8.518979      2.907090     -0.264070
  N      -7.535322      3.642614      0.233268
  C      -7.868580      4.628165      1.108101
  C      -6.523210      3.014297      6.397724
  C      -7.272547      4.278016      5.933830
  C      -8.731885      3.999095      5.620436
  O      -8.721832      3.021373      4.558867
  C      -9.874270      2.514712      4.107016
  C     -11.148057      2.928410      4.468605
  C     -12.262250      2.303635      3.869482
  N     -12.208537      1.328342      2.973546
  C     -10.959155      0.903480      2.615502
  C     -10.824456     -0.131214      1.657807
  C      -9.564181     -0.549847      1.284724
  C      -8.437411      0.062688      1.876256
  N      -8.514652      1.028884      2.780061
  C      -9.751526      1.453603      3.147394
  H      -5.306483     -1.301423      4.213973
  H      -5.311859     -0.046877      2.957193
  H      -3.091749     -2.127317      3.450095
  H      -4.245778     -2.099995      2.116276
  H      -1.904387     -1.224794      1.546703
  H      -2.206604      0.124548      2.670607
  H      -5.123058      1.630899     -0.086831
  H      -4.693104      3.908560     -0.942315
  H      -0.282234      4.869032     -0.181016
  H       1.680587      3.555588      0.726094
  H       1.303895      1.187090      1.440693
  H      -2.175590      5.556872      3.244161
  H      -2.797403      5.408196      4.891603
  H      -4.481077      6.601940      3.959299
  H      -5.125110      4.973564      3.755205
  H      -3.607600      5.521882      1.359951
  H      -4.609231      6.962507      1.674537
  H      -6.482811      7.134712      2.990899
  H      -8.862907      7.428810      3.547182
  H     -11.263778      4.262090      1.243009
  H     -10.636093      2.434306     -0.383453
  H      -8.226014      2.116981     -0.962969
  H      -6.715201      2.836722      7.473079
  H      -6.951727      2.157476      5.857140
  H      -6.793074      4.640918      5.013602
  H      -7.210552      5.082879      6.682848
  H      -9.253736      4.906289      5.275905
  H      -9.275328      3.581883      6.486563
  H     -11.302946      3.735779      5.182352
  H     -13.264447      2.642789      4.152330
  H     -11.732327     -0.565584      1.235610
  H      -9.425711     -1.340680      0.546047
  H      -7.428149     -0.252462      1.591656
  N      -5.662849      2.544171      3.117183
  H      -5.539466      3.087349      2.262068
  H      -6.592157      2.105086      3.111604
101
Coordinates from ORCA-job orca E -6430.123024838824
  N      -4.014257      0.357025      4.515209
  Mo     -4.254133      2.334831      4.506659
  N      -5.087632      3.043076      6.144871
  C      -4.201100      3.433776      7.236265
  C      -3.113063      2.370315      7.383814
  N      -2.530869      2.076231      6.050838
  C      -2.069668      0.671161      5.937101
  C      -3.247593     -0.233822      5.610288
  C      -1.468816      3.034729      5.652357
  C      -1.526979      3.198453      4.129448
  N      -2.863322      3.628195      3.712562
  H      -2.851547     -1.229816      5.344675
  H      -3.884007     -0.384770      6.506723
  H      -1.356548      0.629702      5.102075
  H      -1.543621      0.354092      6.856480
  H      -0.754289      3.918851      3.800105
  H      -1.280715      2.237587      3.647713
  H      -1.686606      3.998828      6.133508
  H      -0.479514      2.694944      6.011343
  H      -4.755119      3.521109      8.187826
  H      -3.737203      4.421787      7.048058
  H      -3.579684      1.444736      7.750430
  H      -2.325461      2.670430      8.099495
  C      -4.663642     -0.608163      3.633050
  C      -3.681944     -1.453450      2.799252
  C      -2.689432     -0.618702      2.017178
  O      -3.432180      0.077062      0.981267
  C      -3.088914      1.307070      0.551393
  C      -4.103610      2.054286     -0.033180
  C      -3.844559      3.349281     -0.503604
  N      -2.666495      3.960328     -0.430538
  C      -1.647333      3.237472      0.112004
  C      -0.362865      3.830475      0.186816
  C       0.699466      3.102904      0.675705
  C       0.474887      1.769417      1.083379
  N      -0.709051      1.177446      1.058073
  C      -1.776915      1.890265      0.601466
  C      -2.979876      5.080890      3.833136
  C      -4.331145      5.660666      3.414097
  C      -4.487728      5.905815      1.907706
  O      -5.580739      5.171128      1.298737
  C      -6.837900      5.450287      1.672116
  C      -7.223061      6.460955      2.543888
  C      -8.587717      6.611511      2.862349
  N      -9.574465      5.863684      2.391986
  C      -9.217930      4.883242      1.506787
  C     -10.226448      4.064589      0.943921
  C      -9.874753      3.077003      0.049300
  C      -8.511360      2.906822     -0.275948
  N      -7.531011      3.644988      0.224120
  C      -7.868530      4.623744      1.104934
  C      -6.523811      3.015251      6.395285
  C      -7.275350      4.279609      5.936667
  C      -8.735227      3.999691      5.626307
  O      -8.726728      3.024641      4.562269
  C      -9.879478      2.515871      4.113661
  C     -11.152822      2.922664      4.484284
  C     -12.267806      2.294983      3.889676
  N     -12.215289      1.322687      2.990443
  C     -10.966302      0.904648      2.623253
  C     -10.832905     -0.127198      1.662290
  C      -9.573217     -0.538623      1.279609
  C      -8.445442      0.078336      1.864649
  N      -8.521438      1.041541      2.771749
  C      -9.757864      1.458975      3.148998
  H      -5.311774     -1.295223      4.213857
  H      -5.315594     -0.043555      2.954481
  H      -3.102254     -2.131294      3.447360
  H      -4.255186     -2.098315      2.113082
  H      -1.911031     -1.232739      1.544283
  H      -2.204896      0.115298      2.671971
  H      -5.112895      1.646261     -0.082447
  H      -4.670558      3.924334     -0.929053
  H      -0.253946      4.857913     -0.165170
  H       1.701221      3.530700      0.738297
  H       1.310952      1.162404      1.446083
  H      -2.178878      5.557260      3.228553
  H      -2.791988      5.411314      4.879455
  H      -4.479547      6.605237      3.958967
  H      -5.126842      4.978704      3.750732
  H      -3.613297      5.543590      1.352801
  H      -4.625073      6.975084      1.678330
  H      -6.493618      7.126340      3.001187
  H      -8.874570      7.403794      3.562707
  H     -11.261466      4.238101      1.242784
  H     -10.626098      2.423733     -0.395618
  H      -8.215286      2.122140     -0.979684
  H      -6.714152      2.833363      7.470199
  H      -6.952028      2.159985      5.852098
  H      -6.798795      4.645568      5.016010
  H      -7.212074      5.082430      6.687763
  H      -9.259326      4.907104      5.285789
  H      -9.275780      3.579412      6.492804
  H     -11.306923      3.726552      5.202140
  H     -13.269760      2.628535      4.179899
  H     -11.741414     -0.565456      1.245474
  H      -9.435952     -1.326924      0.538006
  H      -7.436525     -0.230780      1.572432
  N      -5.669177      2.549555      3.116777
  H      -5.543449      3.086638      2.258225
  H      -6.600542      2.115011      3.114910
101
Coordinates from ORCA-job orca E -6430.123029887981
  N      -4.013888      0.355318      4.512697
  Mo     -4.253442      2.333132      4.505283
  N      -5.088615      3.041177      6.143028
  C      -4.202313      3.430786      7.234968
  C      -3.114258      2.367321      7.382543
  N      -2.531000      2.073699      6.049955
  C      -2.069922      0.668703      5.935249
  C      -3.247043     -0.236528      5.607060
  C      -1.468966      3.032299      5.652335
  C      -1.524993      3.195079      4.129109
  N      -2.860846      3.624060      3.710347
  H      -2.850078     -1.231815      5.339906
  H      -3.883561     -0.389731      6.503111
  H      -1.356538      0.628592      5.100378
  H      -1.544029      0.350389      6.854305
  H      -0.752117      3.915655      3.800590
  H      -1.277777      2.234158      3.647904
  H      -1.688188      3.996764      6.132162
  H      -0.479909      2.693623      6.013150
  H      -4.756507      3.517275      8.186551
  H      -3.738355      4.419010      7.047926
  H      -3.580578      1.441516      7.748956
  H      -2.327169      2.667625      8.098769
  C      -4.666346     -0.608880      3.631767
  C      -3.686305     -1.451822      2.793021
  C      -2.694468     -0.613671      2.013506
  O      -3.437304      0.086655      0.980410
  C      -3.089551      1.314924      0.548841
  C      -4.100727      2.061938     -0.042297
  C      -3.838760      3.356249     -0.513347
  N      -2.660766      3.966677     -0.436168
  C      -1.644667      3.243908      0.112510
  C      -0.360424      3.836759      0.192077
  C       0.698813      3.110859      0.690029
  C       0.471063      1.779164      1.101920
  N      -0.712614      1.187212      1.071136
  C      -1.777651      1.898196      0.605164
  C      -2.976059      5.077262      3.826902
  C      -4.327710      5.657501      3.409902
  C      -4.485811      5.904066      1.903800
  O      -5.578174      5.167643      1.296240
  C      -6.835092      5.447711      1.669031
  C      -7.219262      6.459277      2.540140
  C      -8.583832      6.611968      2.857984
  N      -9.571284      5.864878      2.388071
  C      -9.215651      4.882996      1.504137
  C     -10.225238      4.065016      0.942165
  C      -9.874738      3.075962      0.048849
  C      -8.511384      2.903191     -0.275690
  N      -7.530198      3.640907      0.223389
  C      -7.866563      4.621327      1.102806
  C      -6.524701      3.013760      6.392791
  C      -7.275073      4.280065      5.937196
  C      -8.735444      4.001791      5.627211
  O      -8.728214      3.024340      4.565517
  C      -9.881341      2.517204      4.116336
  C     -11.154414      2.925463      4.486064
  C     -12.269656      2.297081      3.892552
  N     -12.217714      1.322194      2.996123
  C     -10.968968      0.902367      2.630212
  C     -10.835860     -0.133729      1.673759
  C      -9.576427     -0.546849      1.292391
  C      -8.448270      0.072748      1.874128
  N      -8.524187      1.039415      2.777427
  C      -9.760355      1.458284      3.153748
  H      -5.312179     -1.296690      4.214084
  H      -5.321129     -0.043850      2.956258
  H      -3.104986     -2.131210      3.438081
  H      -4.259821     -2.095063      2.105649
  H      -1.916532     -1.225643      1.537063
  H      -2.209678      0.116931      2.671626
  H      -5.109860      1.654276     -0.096697
  H      -4.662876      3.931302     -0.942664
  H      -0.249110      4.862711     -0.163414
  H       1.700419      3.538414      0.756460
  H       1.304511      1.173715      1.473140
  H      -2.176520      5.551228      3.218588
  H      -2.784478      5.409856      4.871844
  H      -4.475561      6.601526      3.955873
  H      -5.123345      4.975141      3.745815
  H      -3.611363      5.543281      1.347945
  H      -4.625291      6.973240      1.675634
  H      -6.489146      7.124378      2.996907
  H      -8.869860      7.405334      3.557460
  H     -11.260029      4.240368      1.240745
  H     -10.627018      2.423504     -0.395618
  H      -8.216689      2.117082     -0.978479
  H      -6.715828      2.828266      7.466950
  H      -6.953328      2.160819      5.846410
  H      -6.798616      4.647353      5.016962
  H      -7.210586      5.081493      6.689673
  H      -9.258522      4.909285      5.285336
  H      -9.276469      3.583819      6.494581
  H     -11.308079      3.730835      5.202327
  H     -13.271457      2.631971      4.181780
  H     -11.744431     -0.574373      1.259561
  H      -9.439656     -1.338417      0.554180
  H      -7.439267     -0.237170      1.583316
  N      -5.669287      2.551114      3.116716
  H      -5.541027      3.086076      2.257136
  H      -6.600689      2.116603      3.112595
101
Coordinates from ORCA-job orca E -6430.123032559455
  N      -4.017439      0.359617      4.502736
  Mo     -4.257021      2.337610      4.497804
  N      -5.089602      3.045054      6.137055
  C      -4.201731      3.434297      7.227797
  C      -3.114393      2.370025      7.374176
  N      -2.532935      2.076083      6.040974
  C      -2.073532      0.670607      5.925754
  C      -3.251880     -0.233133      5.597549
  C      -1.470540      3.033704      5.641977
  C      -1.528826      3.196503      4.118879
  N      -2.864823      3.627473      3.702259
  H      -2.856031     -1.228978      5.330779
  H      -3.888783     -0.385408      6.493442
  H      -1.360256      0.629764      5.090813
  H      -1.547863      0.351407      6.844629
  H      -0.755369      3.915733      3.788918
  H      -1.283936      2.235025      3.637727
  H      -1.687959      3.998270      6.122406
  H      -0.481259      2.693882      6.001035
  H      -4.754679      3.521419      8.180041
  H      -3.737336      4.422107      7.039806
  H      -3.581029      1.444543      7.741003
  H      -2.326338      2.669679      8.089603
  C      -4.669704     -0.603665      3.620670
  C      -3.689954     -1.452207      2.786982
  C      -2.690169     -0.620859      2.010396
  O      -3.424562      0.081986      0.973132
  C      -3.074951      1.313022      0.550822
  C      -4.084236      2.065811     -0.035892
  C      -3.819775      3.363486     -0.496036
  N      -2.641136      3.971756     -0.412036
  C      -1.626248      3.242613      0.130451
  C      -0.340468      3.831650      0.213524
  C       0.717932      3.098356      0.702558
  C       0.487683      1.763527      1.102506
  N      -0.697697      1.174907      1.068805
  C      -1.761742      1.892922      0.611222
  C      -2.977242      5.080911      3.818255
  C      -4.329883      5.664230      3.408131
  C      -4.494593      5.917496      1.903640
  O      -5.581332      5.173814      1.294959
  C      -6.840129      5.442881      1.669890
  C      -7.231479      6.446505      2.547017
  C      -8.597301      6.588022      2.864724
  N      -9.579507      5.837494      2.389238
  C      -9.216730      4.863342      1.499642
  C     -10.220296      4.042142      0.931522
  C      -9.862266      3.060968      0.032394
  C      -8.497535      2.899344     -0.291774
  N      -7.521804      3.640413      0.213052
  C      -7.865607      4.612999      1.098173
  C      -6.525025      3.015886      6.389684
  C      -7.277189      4.284162      5.942786
  C      -8.738508      4.006467      5.636901
  O      -8.734259      3.033048      4.571712
  C      -9.888294      2.524061      4.127036
  C     -11.160650      2.928887      4.502959
  C     -12.277062      2.298316      3.913959
  N     -12.226783      1.324481      3.016343
  C     -10.978655      0.908147      2.644244
  C     -10.847306     -0.126723      1.686316
  C      -9.588578     -0.536957      1.299534
  C      -8.459317      0.084738      1.876917
  N      -8.533516      1.050968      2.780822
  C      -9.769041      1.466635      3.162719
  H      -5.320291     -1.288173      4.201594
  H      -5.320061     -0.037255      2.941946
  H      -3.114970     -2.133701      3.435559
  H      -4.263786     -2.093423      2.098046
  H      -1.913700     -1.237857      1.538173
  H      -2.204131      0.108124      2.669401
  H      -5.093970      1.660209     -0.094809
  H      -4.642539      3.943187     -0.921497
  H      -0.227017      4.860457     -0.132936
  H       1.720853      3.522565      0.770563
  H       1.320315      1.152572      1.466536
  H      -2.179738      5.552973      3.205797
  H      -2.779851      5.413471      4.862136
  H      -4.473860      6.606875      3.957618
  H      -5.125416      4.982410      3.745443
  H      -3.617769      5.568955      1.343654
  H      -4.646073      6.986472      1.682399
  H      -6.506165      7.113394      3.008805
  H      -8.889077      7.375168      3.568860
  H     -11.256552      4.208850      1.230081
  H     -10.609671      2.406127     -0.416840
  H      -8.196744      2.119748     -0.999226
  H      -6.713718      2.824498      7.463279
  H      -6.954442      2.165702      5.839677
  H      -6.804433      4.656415      5.022583
  H      -7.210483      5.082032      6.698850
  H      -9.263257      4.914889      5.300179
  H      -9.276293      3.585070      6.504624
  H     -11.312982      3.733122      5.220747
  H     -13.278365      2.630556      4.207964
  H     -11.756639     -0.568854      1.275427
  H      -9.453185     -1.327829      0.560316
  H      -7.450864     -0.222854      1.581745
  N      -5.674642      2.557822      3.111625
  H      -5.545471      3.091966      2.251639
  H      -6.605744      2.122671      3.106834
101
Coordinates from ORCA-job orca E -6430.123035065458
  N      -4.013847      0.355644      4.510350
  Mo     -4.254748      2.333376      4.502932
  N      -5.089434      3.042008      6.140506
  C      -4.203196      3.432988      7.231872
  C      -3.115342      2.369471      7.380374
  N      -2.532266      2.074505      6.048100
  C      -2.071487      0.669320      5.934871
  C      -3.248626     -0.235864      5.606011
  C      -1.470243      3.032497      5.649084
  C      -1.526619      3.192946      4.125728
  N      -2.862499      3.622619      3.707062
  H      -2.851143     -1.231246      5.339822
  H      -3.886144     -0.388743      6.501312
  H      -1.357157      0.628170      5.100855
  H      -1.546665      0.351572      6.854734
  H      -0.753210      3.912294      3.795968
  H      -1.280506      2.231157      3.645943
  H      -1.689521      3.997670      6.127445
  H      -0.481142      2.694358      6.010204
  H      -4.757232      3.520410      8.183481
  H      -3.739332      4.420985      7.043509
  H      -3.581890      1.444079      7.747551
  H      -2.328281      2.670245      8.096423
  C      -4.663310     -0.608877      3.627672
  C      -3.681590     -1.453670      2.792699
  C      -2.686356     -0.618960      2.014061
  O      -3.426041      0.081126      0.979040
  C      -3.080200      1.311168      0.551337
  C      -4.092383      2.057870     -0.038225
  C      -3.832602      3.353864     -0.505412
  N      -2.655697      3.966185     -0.426070
  C      -1.638074      3.243082      0.119404
  C      -0.354100      3.836709      0.198278
  C       0.707114      3.109601      0.690467
  C       0.481593      1.776207      1.097684
  N      -0.701847      1.183479      1.067932
  C      -1.768727      1.895475      0.607514
  C      -2.975095      5.076364      3.819614
  C      -4.328058      5.658771      3.408950
  C      -4.492646      5.909488      1.904006
  O      -5.581302      5.167472      1.296486
  C      -6.839521      5.440387      1.670728
  C      -7.228614      6.445717      2.546994
  C      -8.594267      6.591671      2.863410
  N      -9.578446      5.844084      2.387295
  C      -9.217806      4.868189      1.498730
  C     -10.223402      4.050041      0.929765
  C      -9.867650      3.067462      0.031232
  C      -8.503131      2.901548     -0.291634
  N      -7.525594      3.639475      0.214196
  C      -7.867091      4.613372      1.098734
  C      -6.525225      3.013829      6.390385
  C      -7.276027      4.283300      5.944607
  C      -8.737054      4.006526      5.636369
  O      -8.731920      3.034305      4.570116
  C      -9.885666      2.526024      4.123868
  C     -11.158284      2.930596      4.499307
  C     -12.274363      2.301401      3.908221
  N     -12.223573      1.329178      3.008943
  C     -10.975217      0.913124      2.637212
  C     -10.843453     -0.119656      1.677144
  C      -9.584554     -0.529638      1.290641
  C      -8.455542      0.090307      1.870368
  N      -8.530127      1.054843      2.776145
  C      -9.765850      1.470147      3.157873
  H      -5.310938     -1.296083      4.208731
  H      -5.316192     -0.044225      2.949861
  H      -3.102800     -2.132379      3.440874
  H      -4.254031     -2.097420      2.104983
  H      -1.908485     -1.232996      1.540368
  H      -2.201741      0.111942      2.672122
  H      -5.100860      1.648555     -0.093695
  H      -4.657617      3.928719     -0.932965
  H      -0.244486      4.863988     -0.153918
  H       1.708747      3.537374      0.755061
  H       1.316535      1.169959      1.464384
  H      -2.177927      5.546896      3.205473
  H      -2.776942      5.411243      4.862607
  H      -4.472308      6.602199      3.956962
  H      -5.123253      4.977014      3.747173
  H      -3.616603      5.557889      1.344849
  H      -4.641755      6.978383      1.680784
  H      -6.501699      7.110566      3.009130
  H      -8.884166      7.380176      3.566792
  H     -11.259426      4.220392      1.227078
  H     -10.616638      2.414874     -0.418644
  H      -8.203970      2.120899     -0.998577
  H      -6.716144      2.820644      7.463320
  H      -6.954137      2.165010      5.837957
  H      -6.801923      4.657490      5.025889
  H      -7.210328      5.079696      6.702323
  H      -9.260979      4.915509      5.299849
  H      -9.276083      3.584617      6.503073
  H     -11.311060      3.733579      5.218396
  H     -13.275827      2.633498      4.201862
  H     -11.752625     -0.560286      1.264260
  H      -9.448868     -1.319031      0.549884
  H      -7.446955     -0.217014      1.575301
  N      -5.671301      2.551684      3.115295
  H      -5.541240      3.084449      2.254560
  H      -6.602949      2.117761      3.110225
101
Coordinates from ORCA-job orca E -6430.123038176709
  N      -4.014485      0.354218      4.507803
  Mo     -4.256067      2.331741      4.501419
  N      -5.090394      3.039881      6.139327
  C      -4.204046      3.430975      7.230529
  C      -3.116356      2.367220      7.378957
  N      -2.533454      2.072065      6.046652
  C      -2.072919      0.666816      5.933405
  C      -3.250164     -0.238029      5.603668
  C      -1.471326      3.029864      5.647450
  C      -1.527455      3.189652      4.124080
  N      -2.863332      3.619691      3.705282
  H      -2.852614     -1.233324      5.337209
  H      -3.888279     -0.391236      6.498437
  H      -1.358269      0.625503      5.099691
  H      -1.548545      0.348871      6.853453
  H      -0.753911      3.908732      3.794129
  H      -1.281599      2.227727      3.644524
  H      -1.690923      3.995265      6.125204
  H      -0.482257      2.692057      6.008970
  H      -4.757925      3.518629      8.182203
  H      -3.740024      4.418831      7.041883
  H      -3.583067      1.441938      7.746207
  H      -2.329192      2.667860      8.094954
  C      -4.661380     -0.609220      3.622190
  C      -3.677426     -1.451688      2.787792
  C      -2.682481     -0.614881      2.010981
  O      -3.422133      0.086460      0.977023
  C      -3.075501      1.316677      0.550795
  C      -4.086889      2.064619     -0.038592
  C      -3.826273      3.361286     -0.503278
  N      -2.649250      3.973156     -0.421668
  C      -1.632401      3.248790      0.123623
  C      -0.348297      3.841741      0.204969
  C       0.712237      3.113079      0.696414
  C       0.485847      1.779066      1.100919
  N      -0.697933      1.187015      1.069465
  C      -1.763972      1.900358      0.609250
  C      -2.974467      5.073690      3.816025
  C      -4.327557      5.656886      3.406928
  C      -4.493295      5.909563      1.902359
  O      -5.580134      5.165702      1.293748
  C      -6.839254      5.436849      1.666791
  C      -7.231100      6.441903      2.542208
  C      -8.597379      6.585732      2.856809
  N      -9.579757      5.836214      2.379911
  C      -9.216316      4.860252      1.492603
  C     -10.219674      4.039583      0.923296
  C      -9.861038      3.056944      0.025920
  C      -8.495878      2.893434     -0.295314
  N      -7.520332      3.633739      0.210918
  C      -7.864695      4.607745      1.094223
  C      -6.526057      3.012411      6.389132
  C      -7.275920      4.284239      5.948492
  C      -8.737563      4.009803      5.640658
  O      -8.734821      3.039773      4.572445
  C      -9.889629      2.531941      4.128419
  C     -11.161325      2.937610      4.505808
  C     -12.278880      2.308625      3.917312
  N     -12.230316      1.335426      3.018985
  C     -10.982866      0.918142      2.645475
  C     -10.853580     -0.116380      1.686990
  C      -9.595638     -0.528312      1.299350
  C      -8.465199      0.091581      1.876259
  N      -8.537402      1.057863      2.780424
  C      -9.772173      1.474984      3.163288
  H      -5.309438     -1.298227      4.200697
  H      -5.313477     -0.043917      2.944160
  H      -3.098532     -2.130266      3.436027
  H      -4.248253     -2.095428      2.098692
  H      -1.903815     -1.227526      1.536767
  H      -2.198938      0.115613      2.670412
  H      -5.095315      1.655477     -0.095907
  H      -4.650540      3.936920     -0.931303
  H      -0.238081      4.869762     -0.144878
  H       1.713980      3.540325      0.762802
  H       1.320253      1.171711      1.466902
  H      -2.177847      5.542521      3.199796
  H      -2.773965      5.409537      4.858209
  H      -4.471083      6.599815      3.955953
  H      -5.122822      4.975047      3.744991
  H      -3.616353      5.561528      1.342359
  H      -4.645591      6.978423      1.681045
  H      -6.505925      7.108062      3.005128
  H      -8.889446      7.374204      3.559322
  H     -11.256356      4.208326      1.219257
  H     -10.608265      2.402650     -0.424414
  H      -8.194295      2.112857     -1.001302
  H      -6.717352      2.814948      7.461279
  H      -6.955599      2.166359      5.833058
  H      -6.802260      4.661872      5.030901
  H      -7.209191      5.077707      6.709217
  H      -9.260593      4.920138      5.306368
  H      -9.276356      3.586976      6.507045
  H     -11.312323      3.741169      5.224657
  H     -13.279589      2.641618      4.212509
  H     -11.763813     -0.556914      1.276338
  H      -9.461855     -1.319320      0.559979
  H      -7.457358     -0.217559      1.580468
  N      -5.673707      2.551120      3.114882
  H      -5.542790      3.082773      2.253599
  H      -6.607613      2.121967      3.112060
101
Coordinates from ORCA-job orca E -6430.123039319311
  N      -4.014218      0.353818      4.506295
  Mo     -4.256123      2.331264      4.499233
  N      -5.090788      3.040023      6.136658
  C      -4.204729      3.431872      7.227743
  C      -3.117043      2.368173      7.377008
  N      -2.533769      2.072112      6.045120
  C      -2.073391      0.666756      5.932780
  C      -3.250563     -0.238102      5.602752
  C      -1.471658      3.029599      5.645370
  C      -1.527215      3.187718      4.121865
  N      -2.863025      3.617569      3.702562
  H      -2.852844     -1.233457      5.336830
  H      -3.889170     -0.390987      6.497233
  H      -1.358299      0.624802      5.099493
  H      -1.549607      0.349143      6.853275
  H      -0.753588      3.906449      3.791418
  H      -1.281289      2.225421      3.643162
  H      -1.691807      3.995579      6.121712
  H      -0.482686      2.692504      6.007842
  H      -4.758828      3.519918      8.179283
  H      -3.740768      4.419676      7.038690
  H      -3.583857      1.443083      7.744631
  H      -2.330154      2.669225      8.093148
  C      -4.661106     -0.609778      3.620777
  C      -3.677300     -1.452575      2.786698
  C      -2.681627     -0.616151      2.010334
  O      -3.420731      0.086360      0.976761
  C      -3.073248      1.316466      0.551056
  C      -4.083879      2.064834     -0.039259
  C      -3.822758      3.361938     -0.502305
  N      -2.645988      3.974032     -0.418094
  C      -1.629811      3.249182      0.127787
  C      -0.345920      3.842203      0.211599
  C       0.714068      3.113105      0.703649
  C       0.487336      1.778572      1.106216
  N      -0.696350      1.186419      1.072478
  C      -1.761850      1.900152      0.611691
  C      -2.972296      5.072092      3.809276
  C      -4.326000      5.656854      3.404151
  C      -4.495790      5.912229      1.900411
  O      -5.581580      5.166517      1.292466
  C      -6.840712      5.435882      1.666796
  C      -7.232615      6.438696      2.544750
  C      -8.598906      6.581461      2.859785
  N      -9.581210      5.833066      2.381073
  C      -9.217713      4.859271      1.491439
  C     -10.221023      4.039864      0.920287
  C      -9.862369      3.059313      0.020704
  C      -8.497177      2.896405     -0.300719
  N      -7.521619      3.635589      0.207149
  C      -7.866048      4.607654      1.092626
  C      -6.526321      3.011875      6.386363
  C      -7.276707      4.285221      5.950933
  C      -8.738507      4.011045      5.643400
  O      -8.736131      3.043033      4.573460
  C      -9.890796      2.533667      4.130713
  C     -11.162620      2.938220      4.508718
  C     -12.279911      2.307891      3.921106
  N     -12.230898      1.334466      3.023026
  C     -10.983249      0.918142      2.649066
  C     -10.853395     -0.116775      1.691066
  C      -9.595191     -0.528035      1.303451
  C      -8.465129      0.093082      1.879718
  N      -8.537853      1.059957      2.783192
  C      -9.772848      1.476322      3.166117
  H      -5.309256     -1.298671      4.199368
  H      -5.313126     -0.044561      2.942599
  H      -3.098920     -2.131306      3.435245
  H      -4.248218     -2.096056      2.097451
  H      -1.903268     -1.229107      1.536025
  H      -2.197633      0.113599      2.670237
  H      -5.092182      1.655628     -0.098253
  H      -4.646352      3.937893     -0.931193
  H      -0.235437      4.870655     -0.136896
  H       1.715675      3.540397      0.771762
  H       1.321304      1.170885      1.472634
  H      -2.177312      5.538118      3.188854
  H      -2.767199      5.409934      4.849882
  H      -4.467097      6.599392      3.954445
  H      -5.121205      4.975549      3.743504
  H      -3.618890      5.568369      1.337771
  H      -4.652265      6.981056      1.681954
  H      -6.507575      7.103817      3.009436
  H      -8.891049      7.368225      3.564201
  H     -11.257693      4.207898      1.216727
  H     -10.609578      2.405886     -0.430916
  H      -8.195550      2.117182     -1.008194
  H      -6.717750      2.809975      7.457708
  H      -6.955683      2.168126      5.826752
  H      -6.803900      4.666906      5.034544
  H      -7.210073      5.075912      6.714584
  H      -9.261958      4.921899      5.311131
  H      -9.276647      3.586604      6.509393
  H     -11.313970      3.742085      5.227163
  H     -13.280763      2.640171      4.216607
  H     -11.763350     -0.558141      1.280714
  H      -9.460980     -1.319382      0.564527
  H      -7.457099     -0.215450      1.583929
  N      -5.674065      2.550382      3.112838
  H      -5.541814      3.080157      2.250603
  H      -6.609127      2.123668      3.110703
101
Coordinates from ORCA-job orca E -6430.123040302884
  N      -4.015492      0.354020      4.504279
  Mo     -4.256806      2.331492      4.497654
  N      -5.091422      3.040159      6.135105
  C      -4.205522      3.431533      7.226450
  C      -3.118299      2.367370      7.375767
  N      -2.534849      2.071306      6.043993
  C      -2.075025      0.665791      5.931504
  C      -3.252469     -0.238502      5.600817
  C      -1.472424      3.028533      5.644540
  C      -1.527335      3.186407      4.121021
  N      -2.862972      3.616538      3.701420
  H      -2.855083     -1.233939      5.334738
  H      -3.891444     -0.391316      6.495063
  H      -1.359665      0.623664      5.098458
  H      -1.551744      0.347753      6.852130
  H      -0.753514      3.904933      3.790647
  H      -1.281449      2.224044      3.642414
  H      -1.692720      3.994706      6.120451
  H      -0.483675      2.691416      6.007615
  H      -4.759877      3.519529      8.177854
  H      -3.741173      4.419217      7.037768
  H      -3.585619      1.442398      7.743047
  H      -2.331488      2.667926      8.092205
  C      -4.662146     -0.608991      3.617865
  C      -3.677974     -1.451583      2.783969
  C      -2.681085     -0.615026      2.009196
  O      -3.418752      0.088792      0.975414
  C      -3.069921      1.318719      0.550180
  C      -4.079476      2.067570     -0.041494
  C      -3.817346      3.364780     -0.503609
  N      -2.640647      3.976732     -0.417046
  C      -1.625436      3.251426      0.129946
  C      -0.341587      3.844214      0.216038
  C       0.717588      3.114656      0.709176
  C       0.490117      1.779856      1.110438
  N      -0.693622      1.187898      1.074575
  C      -1.758413      1.902081      0.612852
  C      -2.970826      5.071405      3.805171
  C      -4.324947      5.656685      3.402114
  C      -4.496973      5.912996      1.898791
  O      -5.581326      5.164945      1.291349
  C      -6.840838      5.431607      1.666302
  C      -7.234204      6.432456      2.545816
  C      -8.600739      6.572692      2.860976
  N      -9.581888      5.823561      2.381132
  C      -9.216951      4.851619      1.490066
  C     -10.219039      4.031596      0.917670
  C      -9.858914      3.052955      0.016617
  C      -8.493477      2.892534     -0.305013
  N      -7.518991      3.632396      0.203948
  C      -7.864901      4.602602      1.090923
  C      -6.526906      3.012191      6.384604
  C      -7.276759      4.287195      5.953092
  C      -8.738853      4.014417      5.645744
  O      -8.737644      3.048438      4.574026
  C      -9.892712      2.537892      4.133555
  C     -11.164133      2.941190      4.514151
  C     -12.281993      2.309650      3.928913
  N     -12.233819      1.336063      3.030945
  C     -10.986534      0.920814      2.654624
  C     -10.857569     -0.114421      1.696837
  C      -9.599704     -0.524540      1.306842
  C      -8.469137      0.098001      1.880532
  N      -8.541017      1.065223      2.783693
  C      -9.775658      1.480485      3.168949
  H      -5.310821     -1.298059      4.195662
  H      -5.313587     -0.043193      2.939628
  H      -3.100524     -2.131041      3.432562
  H      -4.248610     -2.094288      2.093769
  H      -1.902601     -1.228064      1.535212
  H      -2.197188      0.113762      2.670158
  H      -5.087808      1.658648     -0.102052
  H      -4.640087      3.941190     -0.933533
  H      -0.230466      4.872861     -0.131678
  H       1.719133      3.541811      0.779060
  H       1.323459      1.171777      1.477652
  H      -2.176834      5.535457      3.182056
  H      -2.762985      5.410850      4.844704
  H      -4.464906      6.599156      3.952804
  H      -5.119963      4.975621      3.742414
  H      -3.619730      5.572008      1.334881
  H      -4.656554      6.981588      1.681501
  H      -6.510218      7.097966      3.011619
  H      -8.894092      7.357940      3.566597
  H     -11.255949      4.197575      1.214446
  H     -10.605145      2.399119     -0.436032
  H      -8.190710      2.114810     -1.013661
  H      -6.718659      2.807102      7.455310
  H      -6.956571      2.170402      5.822319
  H      -6.804282      4.671619      5.037640
  H      -7.209619      5.075657      6.719022
  H      -9.261956      4.926221      5.315507
  H      -9.276725      3.588709      6.511270
  H     -11.314812      3.745041      5.232759
  H     -13.282568      2.640986      4.226391
  H     -11.767901     -0.556961      1.288598
  H      -9.466168     -1.316052      0.567975
  H      -7.461389     -0.209635      1.582849
  N      -5.674842      2.551443      3.111357
  H      -5.542004      3.081256      2.249223
  H      -6.610302      2.125589      3.109052
101
Coordinates from ORCA-job orca E -6430.123040820057
  N      -4.016054      0.354162      4.504443
  Mo     -4.256930      2.331653      4.497550
  N      -5.091622      3.040300      6.134937
  C      -4.205941      3.431596      7.226501
  C      -3.118812      2.367344      7.375929
  N      -2.535256      2.071277      6.044192
  C      -2.075535      0.665724      5.931713
  C      -3.253132     -0.238390      5.601032
  C      -1.472682      3.028439      5.644978
  C      -1.527212      3.186285      4.121474
  N      -2.862822      3.616405      3.701755
  H      -2.856073     -1.233982      5.335056
  H      -3.892132     -0.390837      6.495328
  H      -1.360185      0.623521      5.098659
  H      -1.552338      0.347675      6.852377
  H      -0.753414      3.904847      3.791172
  H      -1.281153      2.223948      3.642868
  H      -1.693065      3.994665      6.120756
  H      -0.484066      2.691272      6.008377
  H      -4.760547      3.519526      8.177755
  H      -3.741517      4.419280      7.038031
  H      -3.586343      1.442425      7.743065
  H      -2.332031      2.667721      8.092466
  C      -4.662802     -0.608879      3.618076
  C      -3.678623     -1.451573      2.784237
  C      -2.681722     -0.615005      2.009517
  O      -3.419563      0.089150      0.976099
  C      -3.070406      1.318914      0.550630
  C      -4.079874      2.067850     -0.041111
  C      -3.817442      3.364827     -0.503671
  N      -2.640550      3.976494     -0.417420
  C      -1.625461      3.251138      0.129665
  C      -0.341474      3.843671      0.215567
  C       0.717583      3.113972      0.708730
  C       0.489889      1.779261      1.110175
  N      -0.693999      1.187572      1.074558
  C      -1.758713      1.901939      0.612946
  C      -2.970263      5.071391      3.804377
  C      -4.324449      5.656728      3.401629
  C      -4.496818      5.912972      1.898374
  O      -5.581563      5.165293      1.291225
  C      -6.840932      5.432552      1.666224
  C      -7.233742      6.433892      2.545404
  C      -8.600178      6.574785      2.860733
  N      -9.581655      5.825766      2.381424
  C      -9.217235      4.853251      1.490758
  C     -10.219708      4.033196      0.919084
  C      -9.860089      3.054038      0.018382
  C      -8.494805      2.893207     -0.303680
  N      -7.519946      3.633021      0.204657
  C      -7.865360      4.603663      1.091362
  C      -6.527136      3.012191      6.384314
  C      -7.277088      4.287234      5.953140
  C      -8.739014      4.014239      5.645234
  O      -8.737266      3.049017      4.572828
  C      -9.892063      2.537244      4.132952
  C     -11.163671      2.939706      4.513796
  C     -12.281220      2.307300      3.928913
  N     -12.232547      1.333657      3.031009
  C     -10.985072      0.919238      2.654454
  C     -10.855582     -0.115911      1.696624
  C      -9.597486     -0.525126      1.306366
  C      -8.467252      0.098158      1.879885
  N      -8.539626      1.065323      2.783063
  C      -9.774481      1.479786      3.168506
  H      -5.311558     -1.297869      4.195852
  H      -5.314097     -0.042963      2.939817
  H      -3.101293     -2.131233      3.432700
  H      -4.249383     -2.094101      2.093958
  H      -1.903428     -1.228072      1.535254
  H      -2.197483      0.113535      2.670487
  H      -5.088358      1.659238     -0.101237
  H      -4.640040      3.941415     -0.933633
  H      -0.230142      4.872220     -0.132372
  H       1.719191      3.540990      0.778573
  H       1.323161      1.170983      1.477218
  H      -2.176468      5.534840      3.180577
  H      -2.761814      5.411417      4.843609
  H      -4.464162      6.599291      3.952247
  H      -5.119430      4.975812      3.742301
  H      -3.619901      5.571672      1.334123
  H      -4.655957      6.981613      1.680980
  H      -6.509437      7.099396      3.010719
  H      -8.893153      7.360474      3.566024
  H     -11.256492      4.199513      1.216106
  H     -10.606618      2.400192     -0.433762
  H      -8.192473      2.115137     -1.012135
  H      -6.719004      2.806812      7.454943
  H      -6.956655      2.170508      5.821756
  H      -6.804403      4.672246      5.038032
  H      -7.210427      5.075359      6.719466
  H      -9.262239      4.926162      5.315501
  H      -9.276996      3.587774      6.510310
  H     -11.314737      3.743642      5.232221
  H     -13.281963      2.637951      4.226580
  H     -11.765696     -0.559119      1.288628
  H      -9.463511     -1.316487      0.567417
  H      -7.459364     -0.208829      1.581988
  N      -5.674697      2.551404      3.110850
  H      -5.541842      3.081361      2.248812
  H      -6.610067      2.125338      3.108503
