99
Coordinates from ORCA-job orca E -6204.695084860702
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
  H      -1.378068      3.617106      3.695526
  H      -2.617326      4.180440      2.803354
  H      -2.336348      2.579452      2.886794
99
Coordinates from ORCA-job orca E -6204.716747255194
  N      -2.928176      1.401296      5.182569
  Mo     -3.626529      3.328414      5.148312
  N      -4.488192      3.031848      6.894557
  C      -3.617079      3.096136      8.060412
  C      -2.231550      2.543583      7.704528
  N      -1.746149      3.176329      6.454445
  C      -0.765294      2.309322      5.759506
  C      -1.514601      1.176890      4.992417
  C      -1.199794      4.527070      6.722942
  C      -1.722129      5.476612      5.629052
  N      -3.147864      5.214802      5.467536
  H      -1.235221      1.196929      3.919054
  H      -1.222038      0.186914      5.379524
  H      -0.214315      2.926577      5.039915
  H      -0.040297      1.902261      6.480519
  H      -1.517513      6.517948      5.912284
  H      -1.185711      5.282865      4.685636
  H      -1.588285      4.878085      7.686355
  H      -0.100982      4.518304      6.771270
  H      -4.021118      2.499717      8.894717
  H      -3.530860      4.141221      8.417727
  H      -2.333556      1.469401      7.520587
  H      -1.515212      2.704167      8.525795
  C      -3.909158      1.087705      4.221980
  C      -4.866591     -0.070729      4.546704
  C      -6.286434      0.163253      3.979540
  C      -6.266547      0.555859      2.525586
  N      -6.205194      1.867906      2.271506
  C      -6.148493      2.249455      0.978067
  N      -6.164452      1.481316     -0.087351
  C      -6.234529      0.135102      0.135876
  C      -6.252987     -0.744555     -0.965436
  C      -6.305527     -2.108569     -0.759228
  C      -6.338417     -2.633693      0.547103
  C      -6.325086     -1.797439      1.643282
  C      -6.278634     -0.393186      1.468851
  C      -4.014095      6.305551      5.876102
  C      -3.940196      7.555074      4.976504
  C      -4.199971      7.254698      3.496597
  C      -5.602684      6.810096      3.164625
  N      -6.528757      6.857489      4.122142
  C      -7.749897      6.372428      3.832725
  N      -8.161909      5.841607      2.700740
  C      -7.266191      5.857692      1.671067
  C      -7.667606      5.388358      0.402933
  C      -6.784287      5.422311     -0.658826
  C      -5.475492      5.908295     -0.483053
  C      -5.051642      6.361405      0.751047
  C      -5.935579      6.354295      1.854786
  C      -5.869512      2.720733      7.193757
  C      -6.730982      3.939369      7.584299
  C      -8.225482      3.608147      7.615967
  C      -8.853307      3.334979      6.268967
  N      -8.095559      3.418850      5.186178
  C      -8.655677      3.141630      3.984255
  N      -9.889460      2.755433      3.760870
  C     -10.713139      2.688253      4.847558
  C     -12.065032      2.317189      4.667683
  C     -12.913770      2.254172      5.751012
  C     -12.446238      2.554210      7.047458
  C     -11.132069      2.911852      7.253920
  C     -10.233932      2.986970      6.162349
  H      -3.524142      0.985694      3.184689
  H      -4.595146      2.021737      4.279530
  H      -4.927144     -0.174190      5.637510
  H      -4.452503     -0.999727      4.132436
  H      -6.890792     -0.740914      4.119719
  H      -6.765279      0.980974      4.534442
  H      -6.086922      3.326952      0.805857
  H      -6.223240     -0.314507     -1.964404
  H      -6.321258     -2.784981     -1.611894
  H      -6.376857     -3.711880      0.692673
  H      -6.352390     -2.216327      2.647486
  H      -5.046880      5.943935      5.857826
  H      -3.777315      6.617692      6.911777
  H      -2.948595      8.020069      5.060976
  H      -4.686270      8.272135      5.339447
  H      -3.975575      8.153992      2.902182
  H      -3.501390      6.471600      3.162874
  H      -8.482536      6.415860      4.643624
  H      -8.683217      5.013364      0.291660
  H      -7.100751      5.065294     -1.637057
  H      -4.790637      5.926070     -1.329156
  H      -4.037734      6.738612      0.872931
  H      -5.925883      1.979077      8.013303
  H      -6.325861      2.272717      6.302425
  H      -6.427230      4.299516      8.576694
  H      -6.549160      4.743964      6.861017
  H      -8.394783      2.729761      8.258427
  H      -8.769168      4.447228      8.075514
  H      -7.992626      3.228251      3.124255
  H     -12.401282      2.096376      3.656496
  H     -13.956044      1.973502      5.608719
  H     -13.133298      2.501750      7.890295
  H     -10.779580      3.143903      8.257084
  N      -2.371274      3.500329      3.373791
  H      -1.388442      3.681540      3.589444
  H      -2.668796      4.265250      2.758965
  H      -2.376062      2.657396      2.789762
99
Coordinates from ORCA-job orca E -6204.726275304353
  N      -2.913195      1.371789      5.183761
  Mo     -3.606040      3.302942      5.160229
  N      -4.464109      3.028419      6.914440
  C      -3.579609      3.093688      8.080446
  C      -2.197286      2.524284      7.734093
  N      -1.693678      3.149501      6.476295
  C      -0.725894      2.266007      5.769403
  C      -1.493505      1.144489      4.994928
  C      -1.147033      4.509116      6.733098
  C      -1.672383      5.457410      5.636911
  N      -3.104453      5.196919      5.475163
  H      -1.205081      1.159938      3.923222
  H      -1.210703      0.149597      5.379499
  H      -0.163319      2.882432      5.053702
  H       0.000364      1.850677      6.486920
  H      -1.471358      6.501384      5.921226
  H      -1.126386      5.276873      4.693770
  H      -1.535690      4.859361      7.698650
  H      -0.046001      4.498890      6.784348
  H      -3.992555      2.508444      8.919806
  H      -3.482100      4.140784      8.432545
  H      -2.302701      1.448109      7.554630
  H      -1.479989      2.684237      8.557404
  C      -3.912487      1.053965      4.226484
  C      -4.875409     -0.097856      4.562157
  C      -6.294280      0.121388      3.989633
  C      -6.260993      0.473809      2.525918
  N      -6.182544      1.769528      2.228616
  C      -6.091924      2.105454      0.913637
  N      -6.093345      1.295414     -0.129593
  C      -6.185105     -0.040419      0.147210
  C      -6.191216     -0.969446     -0.921863
  C      -6.262277     -2.323740     -0.660593
  C      -6.327144     -2.798943      0.671668
  C      -6.326924     -1.916080      1.733436
  C      -6.262231     -0.517195      1.499843
  C      -3.984862      6.278960      5.903830
  C      -3.946824      7.538024      5.019890
  C      -4.253482      7.281384      3.542032
  C      -5.667357      6.846077      3.239301
  N      -6.553017      6.848961      4.227231
  C      -7.805616      6.394109      3.954985
  N      -8.267094      5.940480      2.804534
  C      -7.401071      6.002217      1.748923
  C      -7.854800      5.620523      0.461584
  C      -7.005238      5.703088     -0.624921
  C      -5.672645      6.151560     -0.463282
  C      -5.200628      6.519721      0.783446
  C      -6.052295      6.460657      1.916361
  C      -5.860165      2.734031      7.195583
  C      -6.712598      3.960791      7.568295
  C      -8.207982      3.639147      7.570969
  C      -8.804577      3.376062      6.205714
  N      -8.017560      3.472201      5.143255
  C      -8.555239      3.208363      3.918529
  N      -9.791772      2.827944      3.657859
  C     -10.637471      2.748027      4.731287
  C     -11.990038      2.380397      4.519465
  C     -12.863272      2.305429      5.586888
  C     -12.421372      2.590113      6.901599
  C     -11.107057      2.944357      7.138077
  C     -10.186210      3.030226      6.062313
  H      -3.540860      0.956331      3.186631
  H      -4.625089      1.990887      4.272343
  H      -4.932612     -0.187740      5.656551
  H      -4.454499     -1.032346      4.159320
  H      -6.897752     -0.782578      4.152378
  H      -6.776435      0.953051      4.523689
  H      -6.014203      3.176313      0.705238
  H      -6.136917     -0.580881     -1.941150
  H      -6.268487     -3.037251     -1.488094
  H      -6.380792     -3.873781      0.860067
  H      -6.380306     -2.294793      2.756422
  H      -5.015893      5.904645      5.908425
  H      -3.730763      6.576011      6.940694
  H      -2.955383      8.014389      5.088013
  H      -4.687084      8.244067      5.424832
  H      -4.051209      8.203257      2.968596
  H      -3.562079      6.516002      3.151583
  H      -8.507077      6.397718      4.796689
  H      -8.885181      5.272865      0.360996
  H      -7.361633      5.413223     -1.616060
  H      -5.013459      6.209757     -1.332746
  H      -4.173360      6.874943      0.893494
  H      -5.929959      1.989838      8.013606
  H      -6.308030      2.287639      6.296108
  H      -6.422912      4.324015      8.567648
  H      -6.510123      4.763790      6.844816
  H      -8.401290      2.759553      8.211384
  H      -8.761714      4.478260      8.025799
  H      -7.862956      3.306733      3.074223
  H     -12.308524      2.171406      3.495717
  H     -13.906624      2.027187      5.419038
  H     -13.127848      2.528588      7.732849
  H     -10.774531      3.164246      8.154955
  N      -2.389581      3.488082      3.288295
  H      -1.395365      3.671598      3.456954
  H      -2.719526      4.259583      2.695823
  H      -2.414161      2.653594      2.689202
99
Coordinates from ORCA-job orca E -6204.732020981319
  N      -2.956409      1.424693      5.152997
  Mo     -3.623878      3.360510      5.165535
  N      -4.493888      3.087475      6.915019
  C      -3.609251      3.135648      8.084927
  C      -2.234621      2.543087      7.750156
  N      -1.698945      3.169737      6.503380
  C      -0.751281      2.275404      5.780265
  C      -1.535188      1.186256      4.974255
  C      -1.139872      4.522565      6.771708
  C      -1.644687      5.483597      5.678480
  N      -3.078587      5.248393      5.499937
  H      -1.230057      1.215792      3.907767
  H      -1.273180      0.178602      5.340979
  H      -0.169004      2.897831      5.084431
  H      -0.034790      1.831908      6.491552
  H      -1.435204      6.524937      5.970439
  H      -1.086071      5.309292      4.740375
  H      -1.530705      4.866484      7.739032
  H      -0.039211      4.495505      6.833153
  H      -4.040667      2.552343      8.916913
  H      -3.499109      4.177923      8.445952
  H      -2.351378      1.469680      7.558836
  H      -1.523328      2.684596      8.582380
  C      -3.961442      1.129359      4.184002
  C      -4.941347     -0.012580      4.493143
  C      -6.348712      0.231567      3.906115
  C      -6.293385      0.605856      2.447103
  N      -6.203115      1.900842      2.165853
  C      -6.094248      2.253643      0.851320
  N      -6.083523      1.453899     -0.201951
  C      -6.186749      0.116030      0.063014
  C      -6.183813     -0.805264     -1.016928
  C      -6.268050     -2.160396     -0.770188
  C      -6.357166     -2.651009      0.558524
  C      -6.366954     -1.777557      1.627975
  C      -6.287645     -0.376073      1.407281
  C      -3.958838      6.337725      5.917867
  C      -3.890151      7.567794      5.003852
  C      -4.161195      7.243200      3.536116
  C      -5.567183      6.794818      3.220277
  N      -6.480888      6.879538      4.172564
  C      -7.738543      6.424809      3.886986
  N      -8.163591      5.891022      2.757597
  C      -7.253020      5.848101      1.738140
  C      -7.658443      5.351013      0.471091
  C      -6.763534      5.320861     -0.579502
  C      -5.429276      5.771207     -0.404552
  C      -5.006384      6.249777      0.821583
  C      -5.906971      6.302937      1.918143
  C      -5.897114      2.795554      7.184411
  C      -6.762682      4.011992      7.548295
  C      -8.251067      3.659071      7.583693
  C      -8.883385      3.345551      6.244476
  N      -8.136450      3.431232      5.152899
  C      -8.717608      3.115483      3.956037
  N      -9.953341      2.695916      3.749464
  C     -10.752863      2.625290      4.858821
  C     -12.102850      2.214713      4.711078
  C     -12.932355      2.147318      5.814036
  C     -12.448414      2.482440      7.103770
  C     -11.135190      2.879447      7.276811
  C     -10.260372      2.958507      6.162096
  H      -3.591453      1.053376      3.144188
  H      -4.692029      2.068772      4.225036
  H      -5.010109     -0.119302      5.585971
  H      -4.520821     -0.944917      4.082470
  H      -6.962530     -0.668047      4.053295
  H      -6.828682      1.061035      4.446405
  H      -6.012825      3.328232      0.657321
  H      -6.112554     -0.407780     -2.032277
  H      -6.267292     -2.866352     -1.604786
  H      -6.422110     -3.727676      0.733927
  H      -6.439766     -2.166346      2.646046
  H      -4.992580      5.970090      5.912991
  H      -3.718521      6.640558      6.956331
  H      -2.896261      8.040445      5.077210
  H      -4.631380      8.296009      5.369290
  H      -3.935459      8.127929      2.913667
  H      -3.463317      6.455501      3.204219
  H      -8.466824      6.502123      4.700472
  H      -8.689129      5.006043      0.360179
  H      -7.081582      4.942810     -1.554443
  H      -4.734123      5.740921     -1.247470
  H      -3.979076      6.602335      0.942712
  H      -5.956329      2.051374      8.003505
  H      -6.337552      2.338775      6.285994
  H      -6.469067      4.397399      8.538892
  H      -6.581929      4.807424      6.810566
  H      -8.413990      2.792543      8.251179
  H      -8.816286      4.491993      8.037506
  H      -8.057989      3.207753      3.086393
  H     -12.455948      1.966614      3.707129
  H     -13.973444      1.835820      5.695139
  H     -13.120146      2.425912      7.964045
  H     -10.770818      3.137254      8.273980
  N      -2.430122      3.579380      3.216732
  H      -1.428921      3.755178      3.353248
  H      -2.778737      4.367966      2.659941
  H      -2.476172      2.765181      2.592344
99
Coordinates from ORCA-job orca E -6204.736326127401
  N      -2.972466      1.421682      5.149143
  Mo     -3.635976      3.348511      5.183537
  N      -4.487976      3.090396      6.939660
  C      -3.594118      3.141446      8.099677
  C      -2.226756      2.538014      7.759634
  N      -1.685548      3.156999      6.513130
  C      -0.760212      2.258301      5.772691
  C      -1.553867      1.184361      4.961289
  C      -1.125474      4.507348      6.768728
  C      -1.636103      5.462797      5.677139
  N      -3.067356      5.236417      5.502267
  H      -1.250217      1.219545      3.895164
  H      -1.294904      0.172510      5.319000
  H      -0.177470      2.885184      5.082564
  H      -0.039877      1.800423      6.471055
  H      -1.425061      6.505383      5.964725
  H      -1.078848      5.289035      4.738115
  H      -1.505862      4.853246      7.739079
  H      -0.024933      4.476355      6.822335
  H      -4.025405      2.564942      8.936537
  H      -3.476965      4.183633      8.456068
  H      -2.346710      1.465121      7.568781
  H      -1.512686      2.676395      8.589483
  C      -3.990613      1.120502      4.195472
  C      -4.960292     -0.025878      4.523002
  C      -6.375374      0.189260      3.945005
  C      -6.341047      0.524487      2.476412
  N      -6.268839      1.811590      2.159615
  C      -6.164512      2.128804      0.836379
  N      -6.141913      1.301163     -0.192010
  C      -6.230891     -0.029850      0.110279
  C      -6.217350     -0.979897     -0.944024
  C      -6.286071     -2.327379     -0.661250
  C      -6.370313     -2.783480      0.679255
  C      -6.390459     -1.881648      1.723374
  C      -6.326616     -0.486979      1.464110
  C      -3.947876      6.320414      5.931135
  C      -3.879234      7.564386      5.037372
  C      -4.147430      7.283852      3.560897
  C      -5.551150      6.852073      3.210863
  N      -6.476879      6.889264      4.154003
  C      -7.736819      6.474132      3.819137
  N      -8.151577      6.029719      2.650937
  C      -7.224917      6.034919      1.645415
  C      -7.621474      5.641011      0.340513
  C      -6.713205      5.669762     -0.696875
  C      -5.372633      6.075055     -0.471640
  C      -4.959726      6.451686      0.791636
  C      -5.875859      6.444442      1.875379
  C      -5.890240      2.796640      7.207791
  C      -6.763912      4.006603      7.566185
  C      -8.248161      3.638378      7.594964
  C      -8.870987      3.331459      6.250318
  N      -8.124307      3.460676      5.163577
  C      -8.697885      3.163580      3.959078
  N      -9.921057      2.722963      3.738346
  C     -10.718474      2.602852      4.844820
  C     -12.056959      2.163763      4.683874
  C     -12.885840      2.048679      5.781801
  C     -12.413466      2.363254      7.079811
  C     -11.111571      2.787733      7.265328
  C     -10.237962      2.914849      6.155644
  H      -3.637849      1.052075      3.150171
  H      -4.742874      2.052182      4.227371
  H      -5.017972     -0.121923      5.617074
  H      -4.529239     -0.958076      4.123926
  H      -6.975649     -0.712300      4.125072
  H      -6.859095      1.026392      4.469212
  H      -6.096144      3.197741      0.614687
  H      -6.150903     -0.609659     -1.968755
  H      -6.277290     -3.055365     -1.475148
  H      -6.423622     -3.854687      0.881973
  H      -6.460177     -2.243370      2.750248
  H      -4.979225      5.949184      5.928775
  H      -3.705722      6.607288      6.973305
  H      -2.886518      8.035877      5.123356
  H      -4.614482      8.287940      5.421862
  H      -3.914137      8.186122      2.968369
  H      -3.446925      6.510613      3.203321
  H      -8.473421      6.507862      4.626519
  H      -8.656932      5.329370      0.191724
  H      -7.023074      5.372506     -1.700773
  H      -4.667657      6.092462     -1.305073
  H      -3.929759      6.776697      0.951547
  H      -5.942941      2.051308      8.025854
  H      -6.322535      2.333585      6.309435
  H      -6.477156      4.397057      8.555827
  H      -6.588453      4.802089      6.828179
  H      -8.405742      2.766796      8.255857
  H      -8.826885      4.457039      8.056258
  H      -8.040172      3.300901      3.095565
  H     -12.402814      1.932563      3.674633
  H     -13.917717      1.715321      5.652813
  H     -13.084565      2.269020      7.935664
  H     -10.756786      3.028512      8.268816
  N      -2.507513      3.591002      3.151146
  H      -1.503347      3.774383      3.241234
  H      -2.891612      4.384377      2.627578
  H      -2.577455      2.788447      2.515771
99
Coordinates from ORCA-job orca E -6204.739693794219
  N      -2.994236      1.444319      5.120133
  Mo     -3.639996      3.360637      5.194078
  N      -4.493261      3.106511      6.942791
  C      -3.603453      3.145680      8.102806
  C      -2.245624      2.522354      7.765094
  N      -1.683084      3.139976      6.530876
  C      -0.779700      2.239469      5.773588
  C      -1.579731      1.195604      4.937925
  C      -1.111531      4.480559      6.786686
  C      -1.609173      5.443097      5.697797
  N      -3.037090      5.237204      5.516782
  H      -1.266990      1.247000      3.875528
  H      -1.335747      0.173651      5.278061
  H      -0.186154      2.873285      5.100510
  H      -0.066657      1.752371      6.460189
  H      -1.387698      6.482654      5.989073
  H      -1.049895      5.267313      4.760161
  H      -1.484605      4.828023      7.759051
  H      -0.011570      4.436053      6.839768
  H      -4.045981      2.575067      8.937985
  H      -3.472683      4.185027      8.461529
  H      -2.377967      1.452653      7.565139
  H      -1.536773      2.643241      8.602298
  C      -4.010692      1.154179      4.166706
  C      -4.979149      0.002789      4.482296
  C      -6.381619      0.209362      3.876105
  C      -6.318120      0.515201      2.402666
  N      -6.231880      1.796787      2.063395
  C      -6.092734      2.088519      0.739831
  N      -6.043007      1.242392     -0.268678
  C      -6.145531     -0.082926      0.054674
  C      -6.105888     -1.050269     -0.981130
  C      -6.188972     -2.391794     -0.677125
  C      -6.314659     -2.823160      0.666382
  C      -6.360881     -1.903197      1.692888
  C      -6.281888     -0.515164      1.411149
  C      -3.912625      6.321431      5.953554
  C      -3.867682      7.565647      5.057317
  C      -4.160193      7.281015      3.587927
  C      -5.563833      6.828510      3.265899
  N      -6.474625      6.860207      4.225809
  C      -7.737904      6.447797      3.908738
  N      -8.171943      6.015910      2.745569
  C      -7.257524      6.006777      1.728366
  C      -7.672397      5.604958      0.433222
  C      -6.775604      5.613694     -0.614059
  C      -5.430869      6.008749     -0.408422
  C      -5.001297      6.396209      0.845441
  C      -5.904365      6.406722      1.938557
  C      -5.897862      2.823324      7.197318
  C      -6.757918      4.046749      7.538016
  C      -8.244828      3.696482      7.579082
  C      -8.872731      3.369663      6.243328
  N      -8.125836      3.471880      5.153441
  C      -8.702032      3.154845      3.956944
  N      -9.927699      2.724234      3.746917
  C     -10.725683      2.629279      4.855747
  C     -12.065982      2.196317      4.703515
  C     -12.893466      2.104893      5.803319
  C     -12.417768      2.437445      7.093905
  C     -11.113970      2.856125      7.270894
  C     -10.241635      2.959026      6.159116
  H      -3.659439      1.103182      3.119644
  H      -4.773929      2.080006      4.188640
  H      -5.055290     -0.091796      5.575054
  H      -4.535928     -0.929223      4.097037
  H      -6.987103     -0.686625      4.064502
  H      -6.871896      1.057754      4.375017
  H      -6.017970      3.152867      0.501030
  H      -6.009152     -0.698365     -2.009047
  H      -6.160464     -3.134197     -1.476389
  H      -6.379812     -3.889802      0.884852
  H      -6.463520     -2.246003      2.722824
  H      -4.941314      5.943016      5.969372
  H      -3.657755      6.609311      6.992259
  H      -2.878967      8.046534      5.126143
  H      -4.598892      8.285635      5.454125
  H      -3.949057      8.182864      2.987504
  H      -3.453972      6.519616      3.217981
  H      -8.460167      6.481094      4.729189
  H      -8.711563      5.301046      0.300133
  H      -7.097827      5.308823     -1.610900
  H      -4.736878      6.011544     -1.250109
  H      -3.968396      6.716541      0.989995
  H      -5.963971      2.081770      8.017659
  H      -6.323389      2.358058      6.296651
  H      -6.463578      4.454511      8.517495
  H      -6.577537      4.825967      6.783924
  H      -8.412275      2.842513      8.259319
  H      -8.813852      4.528719      8.026896
  H      -8.040342      3.253640      3.092394
  H     -12.414739      1.950203      3.699680
  H     -13.926902      1.776188      5.681412
  H     -13.088049      2.361791      7.951233
  H     -10.757439      3.110841      8.269397
  N      -2.564733      3.643224      3.098868
  H      -1.559106      3.829355      3.156789
  H      -2.974838      4.449793      2.617758
  H      -2.660112      2.859467      2.444323
99
Coordinates from ORCA-job orca E -6204.742088058141
  N      -3.010317      1.469055      5.102085
  Mo     -3.640787      3.370065      5.210627
  N      -4.496573      3.126441      6.950573
  C      -3.613041      3.156986      8.113427
  C      -2.263676      2.513289      7.779137
  N      -1.683088      3.125082      6.554266
  C      -0.796271      2.223404      5.783752
  C      -1.600383      1.203682      4.927853
  C      -1.097584      4.456878      6.804589
  C      -1.577863      5.420046      5.708955
  N      -3.004145      5.233615      5.524493
  H      -1.282082      1.268550      3.867741
  H      -1.370925      0.173113      5.253616
  H      -0.194783      2.861906      5.122340
  H      -0.090097      1.711418      6.460568
  H      -1.342352      6.458330      5.995051
  H      -1.017839      5.229367      4.774226
  H      -1.464202      4.815115      7.775658
  H       0.001965      4.399165      6.858051
  H      -4.064866      2.594684      8.949418
  H      -3.467955      4.195005      8.470926
  H      -2.410820      1.446051      7.574951
  H      -1.560359      2.618522      8.623939
  C      -4.022085      1.183382      4.149643
  C      -4.982028      0.022100      4.457329
  C      -6.376067      0.218521      3.831796
  C      -6.294006      0.512213      2.357760
  N      -6.210629      1.794393      2.013471
  C      -6.056516      2.081005      0.692893
  N      -5.983444      1.230999     -0.309128
  C      -6.082305     -0.094227      0.016357
  C      -6.020010     -1.063121     -1.014660
  C      -6.102220     -2.404575     -0.707216
  C      -6.249666     -2.830565      0.634124
  C      -6.317842     -1.907772      1.657246
  C      -6.238948     -0.521309      1.372779
  C      -3.867308      6.328343      5.957481
  C      -3.827714      7.565914      5.050337
  C      -4.146163      7.268200      3.589155
  C      -5.558808      6.820400      3.303726
  N      -6.451978      6.890305      4.281439
  C      -7.727621      6.503335      3.996387
  N      -8.195830      6.063341      2.850042
  C      -7.298509      5.996939      1.817954
  C      -7.744950      5.564044      0.544460
  C      -6.863216      5.510741     -0.517092
  C      -5.506525      5.875689     -0.345859
  C      -5.046047      6.295433      0.887803
  C      -5.930413      6.366793      1.994827
  C      -5.902511      2.842431      7.189360
  C      -6.760711      4.074371      7.504072
  C      -8.249690      3.735704      7.553868
  C      -8.879699      3.388470      6.224947
  N      -8.135072      3.475989      5.131650
  C      -8.712370      3.147800      3.940406
  N      -9.940727      2.726306      3.738269
  C     -10.738486      2.643202      4.848323
  C     -12.080301      2.216090      4.701154
  C     -12.905716      2.136435      5.803176
  C     -12.425930      2.476366      7.089190
  C     -11.120582      2.890408      7.261310
  C     -10.249544      2.980769      6.147919
  H      -3.670700      1.144116      3.101510
  H      -4.787913      2.101105      4.159452
  H      -5.072922     -0.072039      5.548997
  H      -4.526784     -0.908330      4.082408
  H      -6.983819     -0.675551      4.022518
  H      -6.872610      1.071704      4.315847
  H      -5.988344      3.145190      0.450829
  H      -5.908119     -0.713889     -2.041657
  H      -6.056685     -3.149807     -1.502756
  H      -6.314502     -3.896564      0.854584
  H      -6.437457     -2.247221      2.686434
  H      -4.898314      5.956421      5.989907
  H      -3.598551      6.626688      6.989844
  H      -2.835288      8.041250      5.100925
  H      -4.547513      8.294868      5.451012
  H      -3.940870      8.160213      2.972397
  H      -3.448611      6.499983      3.217044
  H      -8.432379      6.570639      4.831155
  H      -8.794345      5.284626      0.438078
  H      -7.208385      5.180357     -1.498361
  H      -4.826277      5.829914     -1.198697
  H      -4.002557      6.593342      1.004335
  H      -5.982817      2.108984      8.015726
  H      -6.316307      2.368149      6.287625
  H      -6.462103      4.504234      8.472636
  H      -6.578980      4.835087      6.730912
  H      -8.424169      2.897931      8.252232
  H      -8.811572      4.581152      7.986011
  H      -8.055150      3.237441      3.071177
  H     -12.431921      1.964277      3.700092
  H     -13.940620      1.811683      5.685977
  H     -13.095021      2.410497      7.947982
  H     -10.761602      3.151436      8.257059
  N      -2.618384      3.682823      3.067472
  H      -1.612516      3.874532      3.100673
  H      -3.052996      4.499043      2.624894
  H      -2.735711      2.913308      2.399905
99
Coordinates from ORCA-job orca E -6204.743094686520
  N      -3.048319      1.496897      5.078095
  Mo     -3.641513      3.394902      5.207351
  N      -4.521738      3.165712      6.931414
  C      -3.653411      3.181260      8.105181
  C      -2.313878      2.503866      7.788189
  N      -1.700243      3.103818      6.574283
  C      -0.828336      2.187139      5.806509
  C      -1.643218      1.194628      4.929143
  C      -1.087212      4.421147      6.827045
  C      -1.529566      5.393373      5.722267
  N      -2.957593      5.240567      5.522440
  H      -1.307385      1.264439      3.874280
  H      -1.445561      0.154010      5.248940
  H      -0.204189      2.819552      5.158847
  H      -0.142249      1.648481      6.485184
  H      -1.271410      6.426413      6.008583
  H      -0.963953      5.184998      4.794774
  H      -1.454393      4.792344      7.792717
  H       0.011034      4.338263      6.892649
  H      -4.127388      2.632521      8.939160
  H      -3.487333      4.217715      8.459869
  H      -2.485620      1.440198      7.580346
  H      -1.621089      2.587689      8.645467
  C      -4.051152      1.226937      4.115624
  C      -5.023004      0.071654      4.408054
  C      -6.398018      0.268869      3.739311
  C      -6.276036      0.522267      2.257782
  N      -6.182887      1.797840      1.879299
  C      -5.998513      2.048397      0.553320
  N      -5.895376      1.169137     -0.424594
  C      -6.000723     -0.149320     -0.065821
  C      -5.908174     -1.147375     -1.070323
  C      -6.001474     -2.482663     -0.727182
  C      -6.190794     -2.870851      0.623600
  C      -6.288436     -1.918311      1.621937
  C      -6.197711     -0.538259      1.301367
  C      -3.801162      6.347136      5.961772
  C      -3.758006      7.590637      5.063325
  C      -4.094110      7.307736      3.602955
  C      -5.507426      6.850035      3.334748
  N      -6.383978      6.895034      4.329538
  C      -7.659481      6.502777      4.058428
  N      -8.147943      6.084550      2.909952
  C      -7.267134      6.029855      1.865634
  C      -7.729539      5.595862      0.598140
  C      -6.862078      5.546608     -0.473837
  C      -5.507105      5.921000     -0.319211
  C      -5.030104      6.341749      0.909531
  C      -5.896946      6.404079      2.028444
  C      -5.933475      2.893537      7.149869
  C      -6.785451      4.141654      7.422323
  C      -8.275418      3.811254      7.514394
  C      -8.932761      3.382166      6.218260
  N      -8.209218      3.393078      5.106124
  C      -8.809332      2.974922      3.950490
  N     -10.042438      2.536245      3.802583
  C     -10.821169      2.531285      4.929993
  C     -12.166338      2.085941      4.837798
  C     -12.969398      2.076990      5.960545
  C     -12.462705      2.508153      7.212189
  C     -11.153270      2.942580      7.330758
  C     -10.304555      2.962456      6.195154
  H      -3.687478      1.187616      3.072441
  H      -4.801453      2.149546      4.108835
  H      -5.146825     -0.010786      5.497976
  H      -4.561712     -0.865464      4.057161
  H      -7.020889     -0.613326      3.938158
  H      -6.897494      1.141546      4.188060
  H      -5.930610      3.108052      0.282557
  H      -5.765754     -0.826211     -2.105655
  H      -5.932901     -3.251213     -1.502283
  H      -6.264685     -3.931857      0.872031
  H      -6.439898     -2.228955      2.659182
  H      -4.836366      5.988420      6.001062
  H      -3.521546      6.640421      6.993080
  H      -2.762558      8.059189      5.108780
  H      -4.469226      8.321040      5.476207
  H      -3.904377      8.207475      2.993050
  H      -3.394616      6.550616      3.213101
  H      -8.346725      6.542380      4.908543
  H      -8.778395      5.310447      0.504367
  H      -7.219150      5.214941     -1.451055
  H      -4.840136      5.880809     -1.180914
  H      -3.986953      6.646255      1.012467
  H      -6.033843      2.178842      7.990433
  H      -6.337159      2.403125      6.251240
  H      -6.468844      4.617438      8.366096
  H      -6.613450      4.865577      6.609178
  H      -8.441701      3.015352      8.267172
  H      -8.826132      4.684583      7.904893
  H      -8.165920      2.984761      3.066235
  H     -12.537987      1.761494      3.861915
  H     -14.006824      1.736722      5.886174
  H     -13.114280      2.496330      8.087843
  H     -10.773633      3.273658      8.300583
  N      -2.635780      3.705719      3.049974
  H      -1.630644      3.887574      3.079196
  H      -3.066388      4.529730      2.628845
  H      -2.773306      2.944796      2.377184
99
Coordinates from ORCA-job orca E -6204.744316077588
  N      -3.012855      1.504813      5.057225
  Mo     -3.629040      3.375250      5.220866
  N      -4.513691      3.137972      6.935010
  C      -3.652277      3.152960      8.114885
  C      -2.309848      2.481867      7.803299
  N      -1.689299      3.088020      6.598553
  C      -0.809788      2.185891      5.824844
  C      -1.607140      1.201302      4.927312
  C      -1.086565      4.408191      6.851877
  C      -1.520731      5.373383      5.736922
  N      -2.945952      5.215665      5.526581
  H      -1.259910      1.284835      3.876827
  H      -1.413165      0.158932      5.237518
  H      -0.184423      2.828342      5.189150
  H      -0.128665      1.640580      6.499891
  H      -1.266901      6.407865      6.019707
  H      -0.945925      5.158290      4.815877
  H      -1.462532      4.782543      7.813054
  H       0.010933      4.332761      6.926588
  H      -4.126563      2.606025      8.948290
  H      -3.487245      4.188505      8.469255
  H      -2.477946      1.419759      7.588345
  H      -1.627080      2.560240      8.668654
  C      -4.008045      1.217179      4.093930
  C      -4.939044      0.028430      4.383644
  C      -6.321762      0.176265      3.717955
  C      -6.224466      0.447364      2.243224
  N      -6.200429      1.727780      1.883543
  C      -6.059599      1.999811      0.565576
  N      -5.934204      1.138246     -0.419736
  C      -5.967613     -0.183141     -0.080259
  C      -5.854069     -1.161047     -1.093219
  C      -5.882690     -2.499108     -0.769766
  C      -6.026137     -2.908065      0.569338
  C      -6.142428     -1.975760      1.576772
  C      -6.117445     -0.594080      1.277190
  C      -3.797250      6.315561      5.969654
  C      -3.783270      7.560813      5.071136
  C      -4.146753      7.290862      3.613000
  C      -5.563502      6.832916      3.360142
  N      -6.432604      6.886064      4.362135
  C      -7.716957      6.514272      4.102230
  N      -8.225462      6.114417      2.956608
  C      -7.349112      6.035337      1.908249
  C      -7.823888      5.593475      0.649952
  C      -6.960338      5.517675     -0.426436
  C      -5.599594      5.878102     -0.285772
  C      -5.109263      6.304872      0.934665
  C      -5.968715      6.388303      2.059809
  C      -5.928771      2.863828      7.136582
  C      -6.768757      4.122292      7.396797
  C      -8.265480      3.828529      7.494898
  C      -8.934416      3.411042      6.205121
  N      -8.213602      3.391897      5.092006
  C      -8.828044      2.993666      3.940790
  N     -10.076446      2.610506      3.795445
  C     -10.852772      2.642978      4.922956
  C     -12.212362      2.264372      4.832291
  C     -13.012515      2.292566      5.956980
  C     -12.487613      2.695778      7.207582
  C     -11.163946      3.066156      7.324204
  C     -10.317632      3.047631      6.186928
  H      -3.641200      1.191052      3.050256
  H      -4.769885      2.123249      4.077261
  H      -5.064145     -0.058333      5.472695
  H      -4.444617     -0.893673      4.035992
  H      -6.915494     -0.726228      3.914786
  H      -6.845813      1.026777      4.173297
  H      -6.054929      3.063232      0.308499
  H      -5.750240     -0.823439     -2.119125
  H      -5.799481     -3.252453     -1.551571
  H      -6.050245     -3.970739      0.802281
  H      -6.258943     -2.302687      2.604389
  H      -4.828866      5.946777      6.026901
  H      -3.505514      6.619044      6.994521
  H      -2.789963      8.036428      5.101083
  H      -4.492040      8.282965      5.502302
  H      -3.972741      8.198916      3.010674
  H      -3.448149      6.544644      3.201874
  H      -8.396711      6.555870      4.958830
  H      -8.878329      5.322475      0.565915
  H      -7.327159      5.180202     -1.397091
  H      -4.938036      5.822016     -1.152559
  H      -4.060758      6.597472      1.025788
  H      -6.046783      2.151681      7.976642
  H      -6.326160      2.376229      6.233627
  H      -6.440246      4.604126      8.331284
  H      -6.586083      4.831914      6.575616
  H      -8.453071      3.046003      8.252817
  H      -8.791062      4.719846      7.878038
  H      -8.186069      2.961334      3.055361
  H     -12.596927      1.960518      3.857229
  H     -14.060942      2.004192      5.884245
  H     -13.137140      2.714521      8.084537
  H     -10.770610      3.378409      8.292714
  N      -2.673149      3.718133      3.030570
  H      -1.669568      3.916377      3.041527
  H      -3.130763      4.545877      2.640478
  H      -2.817605      2.967719      2.350770
99
Coordinates from ORCA-job orca E -6204.744557110904
  N      -3.004071      1.523631      5.017322
  Mo     -3.611201      3.387005      5.215156
  N      -4.492752      3.144598      6.929063
  C      -3.626711      3.142495      8.109762
  C      -2.290161      2.462137      7.790695
  N      -1.666376      3.069247      6.588124
  C      -0.793484      2.159337      5.807320
  C      -1.602629      1.190028      4.899098
  C      -1.048480      4.384660      6.842497
  C      -1.471485      5.355315      5.724797
  N      -2.902160      5.214515      5.522570
  H      -1.249231      1.274683      3.851657
  H      -1.430284      0.142204      5.203655
  H      -0.159247      2.797236      5.176846
  H      -0.120113      1.601063      6.480149
  H      -1.202694      6.386784      6.005427
  H      -0.904091      5.129566      4.802638
  H      -1.421436      4.764339      7.803496
  H       0.048321      4.299160      6.918139
  H      -4.102621      2.596821      8.941595
  H      -3.448279      4.174697      8.468817
  H      -2.470112      1.403087      7.567837
  H      -1.606079      2.525599      8.655943
  C      -4.006924      1.238055      4.053906
  C      -4.930012      0.045382      4.343179
  C      -6.304848      0.177311      3.656595
  C      -6.191926      0.408743      2.172875
  N      -6.172652      1.680523      1.771401
  C      -6.001466      1.914592      0.440492
  N      -5.833807      1.020735     -0.519807
  C      -5.859321     -0.293051     -0.135661
  C      -5.694013     -1.307036     -1.116326
  C      -5.716428     -2.638357     -0.745657
  C      -5.904934     -3.005894      0.609776
  C      -6.067057     -2.038899      1.586274
  C      -6.048520     -0.662421      1.238415
  C      -3.739220      6.312764      6.000702
  C      -3.769201      7.552128      5.094827
  C      -4.229301      7.271928      3.662234
  C      -5.660774      6.816601      3.512125
  N      -6.457378      6.910329      4.566658
  C      -7.756101      6.541240      4.410538
  N      -8.340643      6.103886      3.322274
  C      -7.539970      5.977511      2.223394
  C      -8.098917      5.485966      1.024389
  C      -7.318490      5.364868     -0.104996
  C      -5.957167      5.731255     -0.079885
  C      -5.382566      6.203936      1.080748
  C      -6.156444      6.332977      2.260549
  C      -5.912381      2.875224      7.120477
  C      -6.743384      4.137679      7.378588
  C      -8.245320      3.873067      7.434880
  C      -8.874744      3.491957      6.121414
  N      -8.114289      3.475739      5.039355
  C      -8.693788      3.128581      3.861695
  N      -9.944795      2.798625      3.658453
  C     -10.758059      2.829279      4.754887
  C     -12.119198      2.508460      4.604749
  C     -12.957765      2.535661      5.697506
  C     -12.470456      2.881202      6.974114
  C     -11.146561      3.195873      7.148182
  C     -10.261278      3.176580      6.045235
  H      -3.641007      1.210586      3.009121
  H      -4.756432      2.146533      4.037041
  H      -5.072238     -0.030182      5.430962
  H      -4.422882     -0.876056      4.012958
  H      -6.900482     -0.721592      3.870427
  H      -6.833245      1.041114      4.084164
  H      -6.005105      2.972723      0.147597
  H      -5.555591     -1.002218     -2.156471
  H      -5.593659     -3.418949     -1.502967
  H      -5.925212     -4.064305      0.880065
  H      -6.216042     -2.333357      2.627483
  H      -4.769852      5.946376      6.106186
  H      -3.401280      6.621713      7.010323
  H      -2.771444      8.021305      5.060941
  H      -4.449080      8.280028      5.566432
  H      -4.094777      8.176194      3.042914
  H      -3.559300      6.521906      3.211213
  H      -8.378654      6.623057      5.306515
  H      -9.151853      5.213468      1.028006
  H      -7.751822      4.988917     -1.028893
  H      -5.363321      5.642204     -0.990639
  H      -4.335034      6.499007      1.081770
  H      -6.047654      2.157685      7.952673
  H      -6.305373      2.400042      6.209643
  H      -6.424797      4.604095      8.320517
  H      -6.534644      4.848932      6.569980
  H      -8.469916      3.087773      8.172181
  H      -8.762911      4.771392      7.811903
  H      -8.023121      3.103863      2.997923
  H     -12.473532      2.249098      3.611374
  H     -14.007327      2.291529      5.579146
  H     -13.149428      2.900580      7.825291
  H     -10.782117      3.465198      8.135759
  N      -2.694306      3.735680      3.001661
  H      -1.685492      3.930017      2.996332
  H      -3.163046      4.572684      2.636626
  H      -2.855592      2.993973      2.311807
99
Coordinates from ORCA-job orca E -6204.746093397530
  N      -3.053456      1.542853      5.004704
  Mo     -3.655550      3.401571      5.220027
  N      -4.518532      3.163568      6.945144
  C      -3.642035      3.157452      8.117978
  C      -2.314875      2.466184      7.784995
  N      -1.699858      3.068456      6.578446
  C      -0.835972      2.149975      5.794224
  C      -1.657447      1.186413      4.891106
  C      -1.072806      4.379423      6.829659
  C      -1.491352      5.347093      5.709329
  N      -2.925004      5.222605      5.512724
  H      -1.303000      1.261994      3.844829
  H      -1.500458      0.138101      5.200143
  H      -0.199200      2.780125      5.161327
  H      -0.164903      1.586854      6.465263
  H      -1.209421      6.377572      5.979959
  H      -0.933188      5.105488      4.786977
  H      -1.442700      4.765209      7.789469
  H       0.023393      4.287379      6.903887
  H      -4.113480      2.616159      8.954697
  H      -3.452865      4.189247      8.473676
  H      -2.506257      1.408869      7.561584
  H      -1.622355      2.522148      8.642989
  C      -4.068094      1.250632      4.051696
  C      -4.983074      0.057698      4.359196
  C      -6.361063      0.191284      3.686299
  C      -6.249839      0.429250      2.205352
  N      -6.221713      1.699786      1.805695
  C      -6.043689      1.934561      0.475492
  N      -5.875369      1.045611     -0.484355
  C      -5.907956     -0.266405     -0.100966
  C      -5.738123     -1.277362     -1.079693
  C      -5.769561     -2.607406     -0.709835
  C      -5.971208     -2.977206      0.643511
  C      -6.134049     -2.013720      1.618353
  C      -6.105860     -0.638222      1.271058
  C      -3.746020      6.333784      5.989696
  C      -3.735424      7.578520      5.093154
  C      -4.139560      7.323128      3.643234
  C      -5.564252      6.879053      3.416737
  N      -6.417972      6.957573      4.429273
  C      -7.711060      6.601068      4.196942
  N      -8.238972      6.189148      3.067453
  C      -7.378321      6.080616      2.008740
  C      -7.875209      5.620937      0.766341
  C      -7.031658      5.521846     -0.322500
  C      -5.666804      5.877831     -0.212568
  C      -5.154491      6.318238      0.991320
  C      -5.994721      6.426080      2.130129
  C      -5.931921      2.883841      7.149463
  C      -6.774241      4.136095      7.412459
  C      -8.269350      3.841184      7.504173
  C      -8.915085      3.428986      6.205801
  N      -8.172111      3.437864      5.109510
  C      -8.763185      3.067992      3.943552
  N     -10.008987      2.686725      3.764596
  C     -10.805196      2.679115      4.878832
  C     -12.160061      2.286462      4.759758
  C     -12.979401      2.270718      5.871237
  C     -12.479754      2.645967      7.136375
  C     -11.161957      3.031583      7.280287
  C     -10.295543      3.054035      6.158288
  H      -3.710536      1.213663      3.004056
  H      -4.807974      2.161019      4.034645
  H      -5.116076     -0.009929      5.448142
  H      -4.480840     -0.864731      4.030263
  H      -6.959257     -0.705244      3.899800
  H      -6.883277      1.054452      4.120785
  H      -6.040569      2.989323      0.183239
  H      -5.589173     -0.971452     -2.118696
  H      -5.644394     -3.385177     -1.465801
  H      -6.000023     -4.034832      0.913229
  H      -6.293376     -2.309546      2.658539
  H      -4.782827      5.987035      6.080829
  H      -3.413540      6.633374      7.003172
  H      -2.732818      8.034367      5.098370
  H      -4.421106      8.309767      5.546211
  H      -3.977722      8.238651      3.048758
  H      -3.454300      6.580072      3.204920
  H      -8.383923      6.670923      5.057978
  H      -8.931365      5.355773      0.705039
  H      -7.417320      5.170289     -1.280250
  H      -5.021496      5.809259     -1.091028
  H      -4.104313      6.606957      1.057698
  H      -6.052538      2.167411      7.983907
  H      -6.328398      2.401977      6.244103
  H      -6.439205      4.618533      8.341325
  H      -6.596846      4.841461      6.590427
  H      -8.460983      3.059567      8.255525
  H      -8.799113      4.733694      7.878290
  H      -8.109071      3.083177      3.063630
  H     -12.524127      2.004769      3.774267
  H     -14.024206      1.967745      5.777171
  H     -13.143255      2.630253      8.003026
  H     -10.787628      3.320183      8.259954
  N      -2.779484      3.745848      2.986565
  H      -1.769491      3.941718      2.963983
  H      -3.256956      4.583915      2.632826
  H      -2.953345      3.006323      2.297007
99
Coordinates from ORCA-job orca E -6204.746951739721
  N      -3.048478      1.550497      4.994014
  Mo     -3.652806      3.399243      5.204260
  N      -4.527809      3.180689      6.927834
  C      -3.662987      3.183813      8.107885
  C      -2.338448      2.477139      7.794153
  N      -1.708104      3.062137      6.585382
  C      -0.840029      2.129463      5.827904
  C      -1.657285      1.165633      4.925188
  C      -1.076190      4.371606      6.827050
  C      -1.473131      5.324201      5.686631
  N      -2.907103      5.213688      5.481926
  H      -1.273127      1.216864      3.887247
  H      -1.530158      0.121336      5.257074
  H      -0.184042      2.745575      5.199065
  H      -0.188093      1.569149      6.517229
  H      -1.182059      6.355848      5.941657
  H      -0.912231      5.059067      4.772124
  H      -1.459508      4.772987      7.774403
  H       0.018528      4.274526      6.919190
  H      -4.147650      2.657401      8.948674
  H      -3.469032      4.218540      8.449831
  H      -2.538295      1.419800      7.578943
  H      -1.652694      2.533546      8.657648
  C      -4.054045      1.235399      4.034805
  C      -4.955713      0.036556      4.353801
  C      -6.333087      0.145367      3.672182
  C      -6.225102      0.393576      2.193591
  N      -6.238958      1.665859      1.806784
  C      -6.087850      1.917538      0.480439
  N      -5.911762      1.044336     -0.487274
  C      -5.899764     -0.269505     -0.116784
  C      -5.723209     -1.263417     -1.105394
  C      -5.709998     -2.594612     -0.752037
  C      -5.872379     -2.984143      0.595148
  C      -6.044511     -2.037963      1.579757
  C      -6.061357     -0.660591      1.249120
  C      -3.717611      6.322177      5.984163
  C      -3.705640      7.578431      5.105291
  C      -4.124010      7.342618      3.658512
  C      -5.545087      6.883924      3.446198
  N      -6.383626      6.939073      4.470991
  C      -7.671771      6.566491      4.248751
  N      -8.205058      6.153645      3.119328
  C      -7.361276      6.070478      2.049868
  C      -7.868498      5.617215      0.806899
  C      -7.042573      5.546192     -0.291998
  C      -5.682930      5.920679     -0.191936
  C      -5.161347      6.354701      1.011602
  C      -5.985444      6.436536      2.160284
  C      -5.945358      2.913880      7.123191
  C      -6.783241      4.180593      7.343217
  C      -8.280070      3.896080      7.452412
  C      -8.947279      3.438066      6.172830
  N      -8.223008      3.397044      5.062908
  C      -8.840038      2.989894      3.916851
  N     -10.093514      2.607745      3.771138
  C     -10.869510      2.646248      4.899618
  C     -12.231842      2.256082      4.816971
  C     -13.032128      2.293293      5.941473
  C     -12.506003      2.720556      7.185021
  C     -11.180335      3.103200      7.293997
  C     -10.333026      3.071772      6.157794
  H      -3.682640      1.180779      2.995420
  H      -4.789385      2.145125      3.994470
  H      -5.098124     -0.018090      5.442867
  H      -4.437427     -0.883222      4.041218
  H      -6.918023     -0.759705      3.881500
  H      -6.871480      0.999096      4.107410
  H      -6.119813      2.972840      0.198946
  H      -5.605792     -0.943225     -2.138519
  H      -5.578890     -3.358420     -1.516219
  H      -5.865833     -4.042790      0.851957
  H      -6.174749     -2.348804      2.613782
  H      -4.755143      5.979599      6.080563
  H      -3.373862      6.606554      6.998076
  H      -2.700228      8.027458      5.105048
  H      -4.382759      8.307526      5.574501
  H      -3.982723      8.271353      3.079052
  H      -3.435258      6.616285      3.197292
  H      -8.334949      6.621266      5.117023
  H      -8.919317      5.335692      0.754124
  H      -7.436490      5.199425     -1.249741
  H      -5.049795      5.872682     -1.077018
  H      -4.116950      6.660996      1.069173
  H      -6.076769      2.219431      7.975154
  H      -6.334861      2.410451      6.225035
  H      -6.440984      4.696514      8.255597
  H      -6.604976      4.857276      6.492942
  H      -8.471381      3.143130      8.239065
  H      -8.800485      4.806209      7.796367
  H      -8.203111      2.970567      3.025925
  H     -12.617009      1.933985      3.846310
  H     -14.082482      1.993097      5.875403
  H     -13.154922      2.747014      8.062028
  H     -10.785011      3.432084      8.257663
  N      -2.795841      3.732298      2.964781
  H      -1.797549      3.949117      2.939051
  H      -3.281911      4.552974      2.608726
  H      -2.957432      2.987893      2.289324
99
Coordinates from ORCA-job orca E -6204.748028933452
  N      -3.057243      1.572135      4.957935
  Mo     -3.672430      3.408651      5.197724
  N      -4.528959      3.176080      6.931675
  C      -3.656844      3.168502      8.106087
  C      -2.337269      2.463196      7.777372
  N      -1.717479      3.056324      6.568268
  C      -0.851445      2.124588      5.807978
  C      -1.673262      1.165676      4.904585
  C      -1.084533      4.364438      6.813277
  C      -1.482835      5.316882      5.673999
  N      -2.918578      5.215369      5.478904
  H      -1.279010      1.205681      3.869534
  H      -1.564824      0.121067      5.243215
  H      -0.193367      2.739449      5.180104
  H      -0.202398      1.560626      6.497919
  H      -1.183389      6.347700      5.922614
  H      -0.932907      5.042857      4.755440
  H      -1.468778      4.764821      7.760719
  H       0.009799      4.267659      6.905282
  H      -4.136979      2.636492      8.945197
  H      -3.459185      4.199766      8.455105
  H      -2.541985      1.408324      7.553803
  H      -1.644018      2.510129      8.636034
  C      -4.066748      1.242576      4.002875
  C      -4.950750      0.034645      4.331505
  C      -6.331341      0.115957      3.648287
  C      -6.232795      0.351789      2.165200
  N      -6.298138      1.619289      1.762879
  C      -6.164692      1.860019      0.432024
  N      -5.958009      0.979936     -0.527036
  C      -5.889076     -0.329743     -0.140366
  C      -5.672649     -1.330790     -1.118450
  C      -5.598911     -2.656991     -0.749043
  C      -5.740183     -3.035594      0.604259
  C      -5.953206     -2.082220      1.578609
  C      -6.030383     -0.709321      1.231224
  C      -3.719410      6.320010      6.005798
  C      -3.703589      7.581537      5.133970
  C      -4.125371      7.350088      3.687652
  C      -5.548841      6.897729      3.476363
  N      -6.389831      6.972086      4.498951
  C      -7.684344      6.614348      4.276713
  N      -8.221183      6.195263      3.149076
  C      -7.375281      6.094243      2.081539
  C      -7.887464      5.637266      0.840165
  C      -7.058394      5.546873     -0.257362
  C      -5.690953      5.906270     -0.158425
  C      -5.164838      6.343064      1.043639
  C      -5.991488      6.443217      2.191942
  C      -5.944077      2.906042      7.134946
  C      -6.779612      4.170642      7.369404
  C      -8.277247      3.890203      7.475370
  C      -8.942453      3.448944      6.189744
  N      -8.213641      3.404132      5.082659
  C      -8.830482      3.018811      3.929633
  N     -10.087681      2.657547      3.773919
  C     -10.866502      2.699568      4.899136
  C     -12.233054      2.338015      4.805158
  C     -13.038274      2.383697      5.924348
  C     -12.512872      2.789427      7.175044
  C     -11.183231      3.142735      7.295588
  C     -10.331317      3.104556      6.164245
  H      -3.695174      1.183310      2.962999
  H      -4.799098      2.149189      3.963144
  H      -5.095230     -0.012581      5.420844
  H      -4.417231     -0.879631      4.027442
  H      -6.900137     -0.797871      3.865770
  H      -6.884747      0.964663      4.077279
  H      -6.240792      2.911682      0.137546
  H      -5.572018     -1.019529     -2.156275
  H      -5.434540     -3.425998     -1.505600
  H      -5.685236     -4.090466      0.874207
  H      -6.065741     -2.384112      2.617354
  H      -4.757670      5.981626      6.106607
  H      -3.365247      6.592295      7.019185
  H      -2.694906      8.023057      5.131165
  H      -4.374156      8.313462      5.607363
  H      -3.984128      8.281478      3.111779
  H      -3.439603      6.624268      3.222349
  H      -8.348817      6.683942      5.143020
  H      -8.945282      5.369534      0.787450
  H      -7.456743      5.198740     -1.213484
  H      -5.056711      5.845939     -1.044139
  H      -4.114357      6.637770      1.100285
  H      -6.069322      2.205008      7.982598
  H      -6.339323      2.408767      6.235784
  H      -6.434727      4.677064      8.284721
  H      -6.600133      4.854047      6.525681
  H      -8.474110      3.132617      8.255306
  H      -8.794220      4.800349      7.824063
  H      -8.190569      2.993104      3.043356
  H     -12.617818      2.032377      3.829302
  H     -14.091414      2.107928      5.848952
  H     -13.165864      2.822852      8.047730
  H     -10.788125      3.456446      8.264190
  N      -2.862321      3.761624      2.942361
  H      -1.866604      3.984835      2.900993
  H      -3.363546      4.587434      2.608800
  H      -3.031153      3.024727      2.255039
99
Coordinates from ORCA-job orca E -6204.749121707094
  N      -3.071748      1.591000      4.934201
  Mo     -3.688468      3.420308      5.188753
  N      -4.521784      3.189686      6.940791
  C      -3.641131      3.175608      8.108248
  C      -2.329750      2.462215      7.766851
  N      -1.720840      3.049970      6.548811
  C      -0.863341      2.103796      5.794683
  C      -1.701318      1.144871      4.905552
  C      -1.078517      4.356898      6.783485
  C      -1.477516      5.302743      5.639175
  N      -2.918091      5.218773      5.461071
  H      -1.295024      1.150087      3.874570
  H      -1.624651      0.104171      5.268056
  H      -0.200115      2.704357      5.158726
  H      -0.218450      1.539794      6.490632
  H      -1.161107      6.332879      5.869960
  H      -0.946039      5.008399      4.716439
  H      -1.458781      4.767303      7.728702
  H       0.015733      4.254827      6.872881
  H      -4.118739      2.644705      8.949400
  H      -3.435067      4.205353      8.458531
  H      -2.545823      1.408744      7.545256
  H      -1.624640      2.503262      8.616665
  C      -4.088263      1.237614      3.988009
  C      -4.967204      0.033358      4.340408
  C      -6.348908      0.106175      3.659214
  C      -6.247754      0.338204      2.175119
  N      -6.310243      1.602409      1.765363
  C      -6.161838      1.839578      0.432043
  N      -5.942633      0.959114     -0.523008
  C      -5.874055     -0.348579     -0.127205
  C      -5.640321     -1.351337     -1.098977
  C      -5.565205     -2.675358     -0.719778
  C      -5.721759     -3.050674      0.637783
  C      -5.951457     -2.095081      1.605367
  C      -6.030940     -0.724660      1.247257
  C      -3.700910      6.327437      6.008880
  C      -3.687330      7.591916      5.136894
  C      -4.129977      7.368183      3.693530
  C      -5.559104      6.923654      3.497858
  N      -6.391381      7.015989      4.527324
  C      -7.688500      6.658579      4.324407
  N      -8.234762      6.218849      3.211396
  C      -7.399706      6.104585      2.135659
  C      -7.922731      5.629257      0.907180
  C      -7.105770      5.527382     -0.200948
  C      -5.741408      5.896264     -0.126630
  C      -5.203680      6.347843      1.062659
  C      -6.015927      6.456219      2.222614
  C      -5.934892      2.913065      7.151957
  C      -6.777268      4.169547      7.401651
  C      -8.273292      3.878347      7.493333
  C      -8.916030      3.461459      6.191039
  N      -8.166290      3.444487      5.097914
  C      -8.759694      3.087291      3.925745
  N     -10.012268      2.727300      3.738135
  C     -10.810356      2.738559      4.849247
  C     -12.172525      2.374966      4.721731
  C     -12.998566      2.387006      5.825885
  C     -12.499090      2.759115      7.095565
  C     -11.174601      3.114431      7.248846
  C     -10.301973      3.111536      6.132926
  H      -3.717862      1.157256      2.948195
  H      -4.810557      2.144075      3.942362
  H      -5.109881      0.002809      5.430620
  H      -4.433247     -0.883426      4.047084
  H      -6.914284     -0.809268      3.878330
  H      -6.905716      0.953670      4.085779
  H      -6.232830      2.889076      0.131544
  H      -5.527098     -1.042813     -2.140343
  H      -5.386957     -3.445755     -1.471394
  H      -5.665289     -4.104169      0.916151
  H      -6.076856     -2.394336      2.648312
  H      -4.740280      5.995957      6.123436
  H      -3.327907      6.590190      7.017330
  H      -2.673848      8.023567      5.121279
  H      -4.344641      8.329190      5.620071
  H      -3.995409      8.304307      3.122503
  H      -3.452648      6.644293      3.215039
  H      -8.344395      6.742184      5.196431
  H      -8.978409      5.356405      0.872712
  H      -7.513216      5.167193     -1.146508
  H      -5.119473      5.831982     -1.022656
  H      -4.155398      6.648914      1.100794
  H      -6.053202      2.204367      7.994421
  H      -6.332308      2.419954      6.250933
  H      -6.438378      4.664131      8.324101
  H      -6.599303      4.865267      6.569259
  H      -8.472688      3.106557      8.255915
  H      -8.801135      4.779507      7.850393
  H      -8.103362      3.085286      3.051911
  H     -12.537119      2.095234      3.733093
  H     -14.048061      2.109866      5.724108
  H     -13.168441      2.764674      7.956821
  H     -10.799006      3.401304      8.231065
  N      -2.936952      3.772589      2.919353
  H      -1.941334      4.004838      2.855205
  H      -3.455666      4.597489      2.600293
  H      -3.116067      3.036075      2.227345
99
Coordinates from ORCA-job orca E -6204.750069044835
  N      -3.079406      1.604662      4.912742
  Mo     -3.695518      3.426535      5.172673
  N      -4.519948      3.206461      6.934706
  C      -3.640862      3.190858      8.101697
  C      -2.335727      2.464979      7.762771
  N      -1.724168      3.040423      6.539709
  C      -0.874774      2.080916      5.795703
  C      -1.723017      1.121715      4.919257
  C      -1.072504      4.344539      6.762394
  C      -1.463135      5.280608      5.607683
  N      -2.905892      5.215700      5.438559
  H      -1.299172      1.089129      3.895883
  H      -1.679905      0.088371      5.308663
  H      -0.206235      2.668313      5.153367
  H      -0.235403      1.517596      6.497521
  H      -1.129870      6.309445      5.820426
  H      -0.943884      4.963951      4.685467
  H      -1.451899      4.767805      7.702311
  H       0.020947      4.235289      6.855043
  H      -4.123769      2.666163      8.944197
  H      -3.427633      4.219931      8.449950
  H      -2.562149      1.412397      7.546783
  H      -1.626967      2.503040      8.609812
  C      -4.094161      1.227624      3.971557
  C      -4.967540      0.026031      4.344254
  C      -6.348458      0.085228      3.659491
  C      -6.247193      0.315924      2.174770
  N      -6.335371      1.578070      1.762827
  C      -6.190618      1.816657      0.429612
  N      -5.952362      0.938654     -0.523709
  C      -5.855995     -0.367412     -0.125588
  C      -5.598833     -1.366598     -1.096012
  C      -5.492665     -2.687959     -0.714219
  C      -5.640705     -3.064137      0.644246
  C      -5.894863     -2.111615      1.609921
  C      -6.006255     -0.744431      1.249022
  C      -3.672045      6.325756      6.007558
  C      -3.658477      7.595678      5.142898
  C      -4.122409      7.379788      3.703935
  C      -5.556405      6.940715      3.530210
  N      -6.373786      7.048877      4.570187
  C      -7.675950      6.695305      4.389305
  N      -8.241283      6.244898      3.290107
  C      -7.421338      6.114798      2.204204
  C      -7.964765      5.627395      0.989735
  C      -7.165352      5.512549     -0.130337
  C      -5.798625      5.879258     -0.082080
  C      -5.240543      6.341868      1.093788
  C      -6.034228      6.462717      2.265863
  C      -5.933754      2.929862      7.145230
  C      -6.779833      4.184462      7.393034
  C      -8.275874      3.889031      7.474741
  C      -8.913847      3.480911      6.167144
  N      -8.160798      3.471779      5.075496
  C      -8.750930      3.122210      3.899091
  N     -10.003639      2.766153      3.705950
  C     -10.804883      2.769997      4.815289
  C     -12.167268      2.407422      4.682097
  C     -12.996142      2.408760      5.785065
  C     -12.499558      2.769150      7.059221
  C     -11.175253      3.124267      7.217756
  C     -10.299881      3.131648      6.103047
  H      -3.718610      1.128072      2.935329
  H      -4.812263      2.131677      3.909987
  H      -5.112447      0.010859      5.434415
  H      -4.429416     -0.893007      4.065434
  H      -6.906030     -0.835168      3.879608
  H      -6.914216      0.928078      4.082443
  H      -6.282828      2.865185      0.127687
  H      -5.492727     -1.057170     -2.137892
  H      -5.295488     -3.455872     -1.464620
  H      -5.558399     -4.115359      0.925060
  H      -6.013254     -2.411812      2.653290
  H      -4.712719      6.000584      6.130659
  H      -3.284958      6.574595      7.014020
  H      -2.641291      8.018241      5.115709
  H      -4.302458      8.337221      5.637910
  H      -3.994364      8.318675      3.135696
  H      -3.454178      6.656713      3.212142
  H      -8.318982      6.795442      5.269489
  H      -9.022232      5.357029      0.975307
  H      -7.588849      5.144819     -1.065734
  H      -5.192036      5.805627     -0.988262
  H      -4.190815      6.642043      1.111927
  H      -6.051100      2.221924      7.988835
  H      -6.330007      2.433830      6.245158
  H      -6.448685      4.676579      8.319628
  H      -6.597893      4.883842      6.564568
  H      -8.477070      3.111981      8.230976
  H      -8.808821      4.785684      7.836050
  H      -8.091186      3.123978      3.026666
  H     -12.529714      2.136275      3.690602
  H     -14.045875      2.131681      5.678859
  H     -13.171122      2.765717      7.919658
  H     -10.801569      3.401601      8.203129
  N      -2.989176      3.779214      2.893169
  H      -1.997521      4.023035      2.812921
  H      -3.520689      4.597216      2.583561
  H      -3.171281      3.043068      2.203709
99
Coordinates from ORCA-job orca E -6204.751137151102
  N      -3.079563      1.615036      4.889330
  Mo     -3.702247      3.429392      5.151548
  N      -4.517015      3.216690      6.923691
  C      -3.642091      3.202968      8.091207
  C      -2.340328      2.469598      7.758618
  N      -1.726198      3.034106      6.532356
  C      -0.882674      2.067377      5.796235
  C      -1.736985      1.101850      4.935713
  C      -1.072914      4.338160      6.744109
  C      -1.460198      5.265406      5.581213
  N      -2.904168      5.212951      5.418699
  H      -1.297323      1.026695      3.921150
  H      -1.723577      0.079781      5.356871
  H      -0.215527      2.646165      5.144405
  H      -0.243031      1.508203      6.500974
  H      -1.114812      6.293342      5.778726
  H      -0.950540      4.931764      4.659260
  H      -1.452002      4.769988      7.680226
  H       0.020033      4.227437      6.839045
  H      -4.129447      2.683335      8.934354
  H      -3.425795      4.231531      8.438525
  H      -2.571708      1.416866      7.549247
  H      -1.629764      2.509161      8.603958
  C      -4.089321      1.209924      3.955483
  C      -4.957276      0.009924      4.347970
  C      -6.336658      0.057499      3.658484
  C      -6.231415      0.292740      2.174914
  N      -6.329877      1.555865      1.768478
  C      -6.181688      1.801996      0.438574
  N      -5.932929      0.929632     -0.516799
  C      -5.826844     -0.377608     -0.125030
  C      -5.559536     -1.369414     -1.099649
  C      -5.441034     -2.691180     -0.723533
  C      -5.586068     -3.073950      0.632106
  C      -5.851756     -2.128135      1.601176
  C      -5.976823     -0.761592      1.246383
  C      -3.660433      6.321078      6.005183
  C      -3.651123      7.599884      5.154051
  C      -4.126822      7.397919      3.715941
  C      -5.560661      6.953078      3.553097
  N      -6.369234      7.057592      4.599528
  C      -7.668387      6.690889      4.429734
  N      -8.239172      6.229472      3.338088
  C      -7.428322      6.103731      2.245990
  C      -7.977144      5.604122      1.039445
  C      -7.190163      5.499400     -0.088470
  C      -5.830996      5.886892     -0.055018
  C      -5.266380      6.359944      1.114381
  C      -6.047144      6.470245      2.293802
  C      -5.931455      2.939332      7.134150
  C      -6.779142      4.191931      7.385552
  C      -8.275221      3.893157      7.463079
  C      -8.915487      3.483792      6.155634
  N      -8.162967      3.458601      5.064626
  C      -8.755801      3.103512      3.889733
  N     -10.011916      2.763881      3.698307
  C     -10.813792      2.787714      4.806386
  C     -12.180191      2.444730      4.673016
  C     -13.008831      2.465661      5.775609
  C     -12.507862      2.826874      7.048845
  C     -11.179692      3.163903      7.207097
  C     -10.304624      3.150784      6.092589
  H      -3.707181      1.093186      2.922851
  H      -4.810854      2.105663      3.877003
  H      -5.102986      0.008734      5.437886
  H      -4.416947     -0.912444      4.082438
  H      -6.887613     -0.868224      3.875314
  H      -6.911565      0.894386      4.078878
  H      -6.280447      2.852163      0.142371
  H      -5.456523     -1.054012     -2.138953
  H      -5.236302     -3.454107     -1.476549
  H      -5.492572     -4.125007      0.908582
  H      -5.968379     -2.434591      2.641568
  H      -4.701358      5.996664      6.131343
  H      -3.266090      6.554680      7.012290
  H      -2.633676      8.021490      5.123703
  H      -4.289258      8.338518      5.660787
  H      -4.008334      8.342736      3.156377
  H      -3.459346      6.682604      3.210829
  H      -8.303209      6.792482      5.315498
  H      -9.028829      5.317960      1.037166
  H      -7.617901      5.124026     -1.019569
  H      -5.235474      5.821412     -0.967034
  H      -4.222574      6.676604      1.121491
  H      -6.046032      2.230641      7.977842
  H      -6.329419      2.442910      6.235488
  H      -6.454763      4.679778      8.317541
  H      -6.593915      4.897210      6.562114
  H      -8.476404      3.113667      8.218383
  H      -8.810886      4.786599      7.827587
  H      -8.094629      3.087328      3.018193
  H     -12.546108      2.172426      3.682205
  H     -14.062003      2.203772      5.669284
  H     -13.179348      2.839400      7.908453
  H     -10.802842      3.443157      8.191595
  N      -3.041770      3.791684      2.868061
  H      -2.054791      4.045943      2.773217
  H      -3.584879      4.604502      2.566254
  H      -3.225767      3.056654      2.180241
99
Coordinates from ORCA-job orca E -6204.755393038355
  N      -3.083882      1.621807      4.870889
  Mo     -3.704538      3.434552      5.130422
  N      -4.513915      3.237183      6.911187
  C      -3.646739      3.225493      8.082483
  C      -2.348804      2.478017      7.764575
  N      -1.723165      3.025195      6.537202
  C      -0.891363      2.048061      5.807008
  C      -1.755530      1.078341      4.961183
  C      -1.065664      4.328225      6.735140
  C      -1.446323      5.248898      5.562967
  N      -2.891985      5.212307      5.402311
  H      -1.303152      0.959127      3.956461
  H      -1.773082      0.069062      5.414665
  H      -0.225040      2.617887      5.144863
  H      -0.251188      1.488739      6.512010
  H      -1.086791      6.274590      5.747472
  H      -0.943532      4.898997      4.642995
  H      -1.441891      4.769735      7.667768
  H       0.026894      4.213645      6.832094
  H      -4.143407      2.715652      8.926667
  H      -3.423904      4.253772      8.426886
  H      -2.587321      1.424830      7.564680
  H      -1.640674      2.519544      8.611935
  C      -4.089203      1.191904      3.945729
  C      -4.959148     -0.002357      4.357257
  C      -6.335364      0.041472      3.660617
  C      -6.220136      0.281740      2.178960
  N      -6.317232      1.547836      1.780739
  C      -6.156595      1.802866      0.456148
  N      -5.899857      0.935676     -0.501551
  C      -5.798902     -0.374314     -0.119667
  C      -5.527330     -1.358970     -1.099759
  C      -5.412693     -2.683347     -0.732624
  C      -5.565619     -3.074024      0.617503
  C      -5.836173     -2.134863      1.591438
  C      -5.958578     -0.766686      1.246509
  C      -3.638089      6.323784      5.996113
  C      -3.631948      7.606365      5.153149
  C      -4.119665      7.414202      3.716841
  C      -5.553932      6.965944      3.565827
  N      -6.353471      7.070492      4.618070
  C      -7.652449      6.696693      4.459240
  N      -8.231214      6.227944      3.375807
  C      -7.428717      6.101385      2.277806
  C      -7.985715      5.592881      1.079705
  C      -7.209866      5.491805     -0.054856
  C      -5.854553      5.890934     -0.035343
  C      -5.281016      6.371940      1.127405
  C      -6.050458      6.478672      2.312592
  C      -5.930392      2.959850      7.117847
  C      -6.781352      4.210447      7.368500
  C      -8.276404      3.904223      7.442453
  C      -8.920070      3.488053      6.137473
  N      -8.171572      3.457552      5.044760
  C      -8.768133      3.089962      3.874103
  N     -10.024596      2.749460      3.689939
  C     -10.824952      2.781197      4.799885
  C     -12.192386      2.436649      4.672344
  C     -13.016787      2.463391      5.778679
  C     -12.510176      2.832823      7.048200
  C     -11.180758      3.172628      7.199985
  C     -10.310053      3.153136      6.081701
  H      -3.700625      1.057778      2.917301
  H      -4.817536      2.076073      3.845431
  H      -5.105512      0.011017      5.446765
  H      -4.423229     -0.932124      4.106321
  H      -6.885979     -0.885972      3.873240
  H      -6.915208      0.876273      4.076578
  H      -6.251464      2.856187      0.168874
  H      -5.419038     -1.036186     -2.134493
  H      -5.205742     -3.441705     -1.488860
  H      -5.474132     -4.126649      0.886390
  H      -5.959550     -2.449245      2.626513
  H      -4.680044      6.002266      6.125881
  H      -3.238388      6.547755      7.003285
  H      -2.614722      8.027974      5.119173
  H      -4.264400      8.343701      5.668948
  H      -4.007039      8.361653      3.161678
  H      -3.454580      6.702991      3.201748
  H      -8.278111      6.802934      5.350892
  H      -9.034808      5.298521      1.088886
  H      -7.643157      5.110689     -0.981672
  H      -5.269143      5.828993     -0.952558
  H      -4.240537      6.698420      1.124316
  H      -6.044369      2.251499      7.962299
  H      -6.327854      2.461967      6.220299
  H      -6.466974      4.696992      8.306304
  H      -6.593246      4.920997      6.548588
  H      -8.473176      3.120624      8.197076
  H      -8.817628      4.791517      7.812575
  H      -8.107187      3.063815      3.001323
  H     -12.562761      2.157583      3.683990
  H     -14.071239      2.199540      5.677265
  H     -13.178186      2.850013      7.910151
  H     -10.800279      3.458627      8.182117
  N      -3.089904      3.807791      2.842357
  H      -2.107266      4.068829      2.731919
  H      -3.640357      4.615213      2.545480
  H      -3.279123      3.072859      2.159351
99
Coordinates from ORCA-job orca E -6204.751942610779
  N      -3.111998      1.637335      4.860055
  Mo     -3.744263      3.457395      5.139157
  N      -4.525040      3.237217      6.951816
  C      -3.632936      3.218559      8.127343
  C      -2.327325      2.481779      7.794272
  N      -1.711128      3.040116      6.558101
  C      -0.889502      2.058859      5.805178
  C      -1.770383      1.094967      4.952187
  C      -1.059657      4.355265      6.756886
  C      -1.457013      5.286099      5.591232
  N      -2.917448      5.245241      5.424335
  H      -1.311901      0.979527      3.949596
  H      -1.792186      0.087315      5.399024
  H      -0.230372      2.624836      5.140245
  H      -0.245227      1.496338      6.500186
  H      -1.105549      6.313465      5.780271
  H      -0.955249      4.943406      4.667961
  H      -1.435009      4.787001      7.695220
  H       0.033730      4.251556      6.844083
  H      -4.120098      2.700130      8.969253
  H      -3.414870      4.244446      8.475850
  H      -2.561817      1.430140      7.587799
  H      -1.615468      2.521185      8.638417
  C      -4.129143      1.176308      3.917749
  C      -4.977736     -0.028182      4.328505
  C      -6.363728     -0.011878      3.646713
  C      -6.279402      0.236364      2.162508
  N      -6.418538      1.494326      1.756853
  C      -6.288761      1.749181      0.420150
  N      -6.021702      0.885524     -0.540732
  C      -5.874433     -0.419024     -0.145938
  C      -5.585798     -1.406759     -1.123049
  C      -5.424529     -2.724188     -0.745621
  C      -5.546401     -3.112628      0.616674
  C      -5.832515     -2.172584      1.586805
  C      -6.001483     -0.809401      1.228264
  C      -3.656993      6.369142      6.027787
  C      -3.625870      7.641233      5.162549
  C      -4.095433      7.439937      3.720201
  C      -5.527517      6.994384      3.538362
  N      -6.339323      7.093221      4.579797
  C      -7.631061      6.707389      4.404520
  N      -8.183838      6.229138      3.307505
  C      -7.371607      6.115450      2.219763
  C      -7.909772      5.601345      1.010738
  C      -7.132054      5.518230     -0.119047
  C      -5.790090      5.942044     -0.091014
  C      -5.231208      6.419243      1.081794
  C      -6.004916      6.507697      2.269056
  C      -5.942905      2.945926      7.189107
  C      -6.797526      4.182874      7.464641
  C      -8.289301      3.865008      7.542546
  C      -8.905714      3.466400      6.221009
  N      -8.132996      3.453583      5.145896
  C      -8.699880      3.108792      3.952247
  N      -9.946759      2.774359      3.725405
  C     -10.761513      2.789294      4.817288
  C     -12.116331      2.455619      4.646481
  C     -12.966155      2.466954      5.727273
  C     -12.497750      2.809259      7.018157
  C     -11.181264      3.137082      7.213270
  C     -10.285983      3.133869      6.120966
  H      -3.743122      1.044322      2.887897
  H      -4.879851      2.054554      3.815206
  H      -5.120034     -0.018465      5.419512
  H      -4.423012     -0.944398      4.070724
  H      -6.886628     -0.953052      3.863017
  H      -6.958162      0.807247      4.075652
  H      -6.423643      2.798681      0.125418
  H      -5.500988     -1.089895     -2.166770
  H      -5.203388     -3.482741     -1.500984
  H      -5.418104     -4.161316      0.894059
  H      -5.931345     -2.480861      2.632624
  H      -4.702088      6.061376      6.157181
  H      -3.260022      6.595932      7.034458
  H      -2.602969      8.051108      5.130447
  H      -4.255071      8.391002      5.665217
  H      -3.969562      8.386551      3.163455
  H      -3.426379      6.723057      3.218557
  H      -8.271044      6.807813      5.284651
  H      -8.947460      5.291947      1.010316
  H      -7.555534      5.137483     -1.050351
  H      -5.208851      5.900840     -1.013441
  H      -4.200696      6.762097      1.084780
  H      -6.034845      2.227188      8.026087
  H      -6.351796      2.453659      6.291603
  H      -6.472822      4.660999      8.397929
  H      -6.624512      4.898995      6.652112
  H      -8.486358      3.074893      8.285599
  H      -8.838559      4.746149      7.917431
  H      -8.023500      3.106879      3.098687
  H     -12.458549      2.198521      3.644495
  H     -14.009429      2.213601      5.591234
  H     -13.187321      2.814835      7.860521
  H     -10.829478      3.403645      8.209565
  N      -3.156219      3.850808      2.792690
  H      -2.174097      4.119735      2.659997
  H      -3.727055      4.665849      2.518829
  H      -3.351912      3.116466      2.097072
99
Coordinates from ORCA-job orca E -6204.752930994678
  N      -3.103348      1.615635      4.870311
  Mo     -3.717093      3.450855      5.114904
  N      -4.518065      3.266750      6.925334
  C      -3.650125      3.257839      8.115411
  C      -2.344999      2.498498      7.824835
  N      -1.695272      3.025169      6.593520
  C      -0.885659      2.029351      5.855890
  C      -1.771410      1.055369      5.016666
  C      -1.039948      4.339628      6.773796
  C      -1.420511      5.265267      5.592775
  N      -2.881081      5.238332      5.410678
  H      -1.303689      0.893657      4.024827
  H      -1.816074      0.063933      5.502015
  H      -0.223860      2.584950      5.179987
  H      -0.243443      1.467009      6.554946
  H      -1.057424      6.290003      5.775402
  H      -0.911822      4.910318      4.677608
  H      -1.413974      4.783933      7.706251
  H       0.053084      4.230365      6.868485
  H      -4.159529      2.759255      8.957777
  H      -3.425040      4.286041      8.454546
  H      -2.584785      1.444003      7.637111
  H      -1.648979      2.548694      8.681688
  C      -4.110953      1.142463      3.934182
  C      -4.989439     -0.042674      4.353290
  C      -6.364290      0.002584      3.650519
  C      -6.244805      0.262887      2.171491
  N      -6.336240      1.532568      1.786481
  C      -6.165120      1.805385      0.462111
  N      -5.906405      0.947779     -0.505738
  C      -5.818059     -0.367426     -0.136012
  C      -5.551677     -1.346088     -1.126753
  C      -5.450596     -2.675469     -0.772969
  C      -5.611844     -3.080895      0.575369
  C      -5.876078     -2.149393      1.558727
  C      -5.985897     -0.775498      1.226159
  C      -3.618708      6.374429      5.990795
  C      -3.594642      7.638985      5.119838
  C      -4.084610      7.436075      3.682933
  C      -5.522811      7.000951      3.527263
  N      -6.316628      7.119991      4.578999
  C      -7.617827      6.746445      4.427903
  N      -8.197321      6.265090      3.349378
  C      -7.401190      6.128335      2.250031
  C      -7.967433      5.609273      1.059095
  C      -7.207853      5.505297     -0.081490
  C      -5.858247      5.912453     -0.080106
  C      -5.271785      6.396157      1.077401
  C      -6.027133      6.507365      2.273160
  C      -5.941979      2.981642      7.146720
  C      -6.799122      4.220988      7.410228
  C      -8.289292      3.894477      7.487532
  C      -8.918603      3.478009      6.175954
  N      -8.162278      3.471820      5.090659
  C      -8.741695      3.097712      3.910381
  N      -9.985976      2.735291      3.709377
  C     -10.790610      2.745736      4.812559
  C     -12.143847      2.377879      4.666597
  C     -12.976694      2.379724      5.763352
  C     -12.491808      2.748181      7.041765
  C     -11.175987      3.111320      7.211222
  C     -10.297755      3.117019      6.103001
  H      -3.712885      0.991547      2.911952
  H      -4.870706      2.004548      3.800836
  H      -5.137553     -0.020691      5.443045
  H      -4.459702     -0.978780      4.111122
  H      -6.910276     -0.928964      3.852799
  H      -6.950406      0.831210      4.070930
  H      -6.255259      2.865032      0.188656
  H      -5.437306     -1.013483     -2.159440
  H      -5.249678     -3.428700     -1.537067
  H      -5.530490     -4.138180      0.832479
  H      -6.006793     -2.474236      2.592029
  H      -4.665211      6.067951      6.121173
  H      -3.225510      6.608633      6.997652
  H      -2.573593      8.051986      5.078065
  H      -4.218268      8.390875      5.627178
  H      -3.953529      8.374983      3.116540
  H      -3.429069      6.707870      3.178422
  H      -8.239346      6.869596      5.318886
  H      -9.011765      5.313850      1.080066
  H      -7.650335      5.120386     -1.002295
  H      -5.292369      5.854577     -1.010637
  H      -4.235969      6.727353      1.060906
  H      -6.042475      2.267942      7.987639
  H      -6.345396      2.485734      6.249754
  H      -6.489994      4.702999      8.350756
  H      -6.620436      4.939925      6.597489
  H      -8.475041      3.098870      8.232298
  H      -8.844133      4.766552      7.872730
  H      -8.072491      3.091899      3.047958
  H     -12.498718      2.100359      3.672711
  H     -14.019730      2.097606      5.647646
  H     -13.167450      2.745951      7.895838
  H     -10.813256      3.397180      8.199711
  N      -3.131968      3.842088      2.785031
  H      -2.151640      4.106223      2.653263
  H      -3.690156      4.649578      2.490858
  H      -3.327858      3.100233      2.105974
99
Coordinates from ORCA-job orca E -6204.754708108680
  N      -3.094663      1.620778      4.861269
  Mo     -3.709526      3.449183      5.099351
  N      -4.515472      3.275287      6.907936
  C      -3.654732      3.272987      8.099488
  C      -2.352969      2.506219      7.817178
  N      -1.699813      3.020935      6.584619
  C      -0.890147      2.018328      5.860907
  C      -1.777492      1.040069      5.035550
  C      -1.038697      4.332093      6.756050
  C      -1.410086      5.246161      5.564666
  N      -2.868947      5.229581      5.387854
  H      -1.298747      0.850497      4.054368
  H      -1.846090      0.060261      5.540102
  H      -0.226728      2.564552      5.179504
  H      -0.250411      1.461910      6.565458
  H      -1.037137      6.269365      5.734073
  H      -0.908870      4.873678      4.652856
  H      -1.414803      4.787791      7.681941
  H       0.053546      4.219040      6.855982
  H      -4.168773      2.782533      8.944222
  H      -3.426867      4.302853      8.431357
  H      -2.598492      1.451869      7.636139
  H      -1.658224      2.557981      8.674746
  C      -4.095390      1.135060      3.926376
  C      -4.971275     -0.048775      4.353366
  C      -6.341963     -0.009377      3.641019
  C      -6.215526      0.251073      2.162209
  N      -6.303205      1.522190      1.779346
  C      -6.124196      1.799502      0.457399
  N      -5.861724      0.945639     -0.511205
  C      -5.777196     -0.370932     -0.144805
  C      -5.508016     -1.345176     -1.137067
  C      -5.410608     -2.675814     -0.786700
  C      -5.577842     -3.086028      0.559443
  C      -5.845299     -2.158602      1.544606
  C      -5.951901     -0.783832      1.215887
  C      -3.596993      6.360675      5.985969
  C      -3.581990      7.631962      5.123817
  C      -4.097660      7.437542      3.694112
  C      -5.542050      7.014679      3.565134
  N      -6.322229      7.169403      4.624029
  C      -7.631691      6.813862      4.498615
  N      -8.233289      6.316157      3.441102
  C      -7.451086      6.140560      2.334618
  C      -8.039793      5.600663      1.165145
  C      -7.292468      5.453298      0.017483
  C      -5.933959      5.837384     -0.009250
  C      -5.327031      6.344756      1.127021
  C      -6.068545      6.499535      2.329441
  C      -5.938592      2.990838      7.123855
  C      -6.794702      4.234129      7.377592
  C      -8.286220      3.913652      7.453104
  C      -8.916636      3.495285      6.142638
  N      -8.159910      3.478594      5.057338
  C      -8.741097      3.104069      3.878798
  N      -9.988226      2.749649      3.679534
  C     -10.793783      2.769451      4.782188
  C     -12.149865      2.409339      4.637844
  C     -12.982666      2.420274      5.734763
  C     -12.495045      2.790625      7.011532
  C     -11.176699      3.146784      7.179398
  C     -10.298197      3.142927      6.071098
  H      -3.688943      0.971567      2.909739
  H      -4.845848      1.996077      3.780893
  H      -5.127682     -0.017379      5.441734
  H      -4.438258     -0.985867      4.123174
  H      -6.887051     -0.941975      3.840564
  H      -6.933010      0.818330      4.056815
  H      -6.209644      2.859874      0.186309
  H      -5.389157     -1.008604     -2.168171
  H      -5.207758     -3.425816     -1.552256
  H      -5.499238     -4.144036      0.814098
  H      -5.981728     -2.487535      2.576221
  H      -4.642682      6.054500      6.126919
  H      -3.190046      6.586828      6.989296
  H      -2.559696      8.039946      5.066717
  H      -4.194353      8.383349      5.645628
  H      -3.969522      8.377636      3.128974
  H      -3.456630      6.706086      3.176728
  H      -8.241816      6.969673      5.393434
  H      -9.090345      5.322067      1.207740
  H      -7.751404      5.050327     -0.886655
  H      -5.376862      5.742648     -0.944775
  H      -4.284494      6.658627      1.088552
  H      -6.044337      2.282092      7.968532
  H      -6.338606      2.490720      6.227471
  H      -6.486437      4.720483      8.316504
  H      -6.611809      4.948304      6.561023
  H      -8.475961      3.121755      8.200997
  H      -8.837725      4.790119      7.833271
  H      -8.071691      3.086352      3.016582
  H     -12.506547      2.130060      3.644930
  H     -14.027860      2.143727      5.620429
  H     -13.170601      2.795551      7.865723
  H     -10.811529      3.434173      8.166709
  N      -3.134638      3.830204      2.780734
  H      -2.158546      4.103330      2.649867
  H      -3.697257      4.629550      2.484472
  H      -3.324631      3.084502      2.107793
99
Coordinates from ORCA-job orca E -6204.756960346823
  N      -3.093914      1.636492      4.837121
  Mo     -3.711396      3.455208      5.080944
  N      -4.515435      3.285177      6.886308
  C      -3.659029      3.288744      8.074917
  C      -2.362653      2.514748      7.794533
  N      -1.710652      3.021124      6.562817
  C      -0.903387      2.017530      5.843056
  C      -1.794053      1.034516      5.036867
  C      -1.044318      4.326987      6.727817
  C      -1.411461      5.232039      5.531545
  N      -2.866923      5.226344      5.366869
  H      -1.309711      0.813370      4.065888
  H      -1.886713      0.068215      5.563947
  H      -0.247485      2.560692      5.152136
  H      -0.256438      1.465180      6.544762
  H      -1.027602      6.252922      5.689782
  H      -0.922090      4.844830      4.620319
  H      -1.417900      4.790747      7.650679
  H       0.047797      4.210833      6.827701
  H      -4.173916      2.805805      8.923420
  H      -3.426203      4.320153      8.399907
  H      -2.614684      1.460686      7.617889
  H      -1.667204      2.565706      8.651655
  C      -4.092155      1.142385      3.910971
  C      -4.956988     -0.045132      4.351793
  C      -6.331515     -0.024238      3.645114
  C      -6.218581      0.225480      2.163434
  N      -6.332574      1.493586      1.771737
  C      -6.168760      1.762255      0.448520
  N      -5.898419      0.904301     -0.514656
  C      -5.788331     -0.408742     -0.140878
  C      -5.509854     -1.386417     -1.127551
  C      -5.386673     -2.713633     -0.768781
  C      -5.537003     -3.115218      0.579676
  C      -5.813211     -2.183867      1.560123
  C      -5.945592     -0.812869      1.223538
  C      -3.582161      6.345147      5.996213
  C      -3.571438      7.636037      5.165443
  C      -4.094120      7.473370      3.735780
  C      -5.537284      7.048140      3.606775
  N      -6.321225      7.201035      4.664365
  C      -7.629550      6.847588      4.534099
  N      -8.227867      6.347945      3.475251
  C      -7.440985      6.168844      2.372104
  C      -8.022673      5.622224      1.202444
  C      -7.266998      5.468168      0.060009
  C      -5.908008      5.852255      0.040363
  C      -5.309369      6.369037      1.176575
  C      -6.058429      6.529852      2.372547
  C      -5.935147      2.996827      7.095504
  C      -6.793034      4.242084      7.339577
  C      -8.284960      3.924533      7.418069
  C      -8.921645      3.503233      6.111940
  N      -8.169465      3.481886      5.022557
  C      -8.756871      3.104716      3.849556
  N     -10.007142      2.751254      3.659163
  C     -10.809926      2.772213      4.766109
  C     -12.168723      2.406149      4.632513
  C     -12.995315      2.413667      5.736232
  C     -12.499132      2.787610      7.008210
  C     -11.178488      3.151070      7.165315
  C     -10.305469      3.149519      6.050491
  H      -3.683403      0.970334      2.896190
  H      -4.834473      1.999023      3.759125
  H      -5.111198     -0.004328      5.439728
  H      -4.419398     -0.981394      4.131036
  H      -6.866886     -0.961244      3.853723
  H      -6.928215      0.800644      4.058212
  H      -6.274615      2.819044      0.170429
  H      -5.404486     -1.055757     -2.160997
  H      -5.176426     -3.466761     -1.530314
  H      -5.438177     -4.170115      0.841164
  H      -5.936045     -2.506656      2.593899
  H      -4.627152      6.039634      6.143398
  H      -3.161826      6.549499      6.999022
  H      -2.549459      8.043797      5.111340
  H      -4.180336      8.375475      5.706805
  H      -3.973258      8.426689      3.192765
  H      -3.452980      6.756523      3.198312
  H      -8.242683      7.002932      5.427214
  H      -9.073897      5.342397      1.240334
  H      -7.719594      5.058064     -0.844634
  H      -5.342264      5.750063     -0.888513
  H      -4.266529      6.684484      1.142516
  H      -6.045512      2.291866      7.942801
  H      -6.330017      2.493190      6.199067
  H      -6.483959      4.734760      8.275334
  H      -6.609926      4.950900      6.517846
  H      -8.473376      3.135232      8.168601
  H      -8.833557      4.803291      7.796600
  H      -8.091088      3.080421      2.983003
  H     -12.531442      2.123546      3.642723
  H     -14.042558      2.130397      5.630672
  H     -13.169529      2.789203      7.868143
  H     -10.806524      3.440113      8.149442
  N      -3.165143      3.837094      2.773063
  H      -2.190530      4.116025      2.635558
  H      -3.736896      4.633534      2.482672
  H      -3.359234      3.089953      2.101719
99
Coordinates from ORCA-job orca E -6204.758183923886
  N      -3.090135      1.646069      4.820197
  Mo     -3.710511      3.458977      5.064575
  N      -4.513258      3.294488      6.869496
  C      -3.660635      3.304456      8.057364
  C      -2.367725      2.524092      7.782303
  N      -1.714817      3.021161      6.550102
  C      -0.910437      2.014386      5.835314
  C      -1.805796      1.025801      5.048364
  C      -1.043975      4.323974      6.707180
  C      -1.408011      5.220159      5.504947
  N      -2.861968      5.223594      5.349458
  H      -1.315072      0.771360      4.089207
  H      -1.921926      0.075042      5.598907
  H      -0.261520      2.552744      5.134034
  H      -0.256689      1.467651      6.535309
  H      -1.015001      6.239285      5.651778
  H      -0.928118      4.819280      4.595018
  H      -1.415480      4.795673      7.626798
  H       0.048058      4.205537      6.807277
  H      -4.177598      2.829253      8.909066
  H      -3.424256      4.337345      8.375359
  H      -2.624627      1.470000      7.611553
  H      -1.672799      2.576430      8.639885
  C      -4.085476      1.140744      3.900186
  C      -4.943720     -0.047416      4.351812
  C      -6.317989     -0.035880      3.644340
  C      -6.205186      0.212154      2.162420
  N      -6.320126      1.480385      1.770492
  C      -6.153108      1.749476      0.448280
  N      -5.879008      0.892813     -0.514393
  C      -5.768506     -0.420146     -0.141194
  C      -5.486250     -1.396249     -1.127573
  C      -5.362172     -2.723515     -0.769118
  C      -5.515068     -3.125922      0.578579
  C      -5.794608     -2.195862      1.559112
  C      -5.928391     -0.824984      1.223105
  C      -3.566628      6.335800      5.998697
  C      -3.560669      7.634850      5.181537
  C      -4.097527      7.484138      3.756234
  C      -5.542306      7.061856      3.641221
  N      -6.320073      7.231422      4.701449
  C      -7.631877      6.886476      4.582023
  N      -8.239890      6.377931      3.533031
  C      -7.458878      6.179261      2.428202
  C      -8.049873      5.621700      1.268669
  C      -7.298694      5.446331      0.125218
  C      -5.935502      5.819610      0.095063
  C      -5.328896      6.349305      1.220753
  C      -6.072574      6.531386      2.417230
  C      -5.930934      3.002047      7.074578
  C      -6.791434      4.247393      7.312238
  C      -8.283542      3.930799      7.390700
  C      -8.921170      3.504216      6.086806
  N      -8.168428      3.470373      4.998006
  C      -8.757675      3.090075      3.827665
  N     -10.010981      2.745817      3.638956
  C     -10.814832      2.778335      4.745149
  C     -12.176516      2.421239      4.613378
  C     -13.003037      2.440055      5.717136
  C     -12.504015      2.817000      6.986888
  C     -11.180707      3.172358      7.142064
  C     -10.307443      3.159063      6.027337
  H      -3.672684      0.959186      2.888529
  H      -4.824056      1.992975      3.739631
  H      -5.099254      0.001816      5.439203
  H      -4.403750     -0.984059      4.139537
  H      -6.848914     -0.975240      3.853684
  H      -6.919086      0.786834      4.055398
  H      -6.258485      2.805917      0.170443
  H      -5.378772     -1.064586     -2.160572
  H      -5.149177     -3.475629     -1.530577
  H      -5.415437     -4.180666      0.839890
  H      -5.919356     -2.519554      2.592426
  H      -4.610866      6.031246      6.154311
  H      -3.134349      6.529496      6.998585
  H      -2.538239      8.040422      5.120789
  H      -4.162903      8.370366      5.735245
  H      -3.981596      8.441994      3.219997
  H      -3.463007      6.770736      3.207124
  H      -8.240138      7.057984      5.475964
  H      -9.104450      5.350220      1.314705
  H      -7.758055      5.027042     -0.771771
  H      -5.372304      5.699537     -0.833423
  H      -4.283518      6.658292      1.177427
  H      -6.043300      2.299622      7.923817
  H      -6.322177      2.495213      6.178306
  H      -6.483412      4.744262      8.246449
  H      -6.607660      4.953021      6.487654
  H      -8.472221      3.144465      8.144513
  H      -8.831419      4.811786      7.765318
  H      -8.091790      3.054779      2.961112
  H     -12.541141      2.136109      3.625029
  H     -14.052464      2.163371      5.613138
  H     -13.174268      2.827617      7.846845
  H     -10.806526      3.464084      8.124558
  N      -3.187502      3.841320      2.763924
  H      -2.218498      4.136982      2.620427
  H      -3.773844      4.625416      2.471575
  H      -3.372418      3.088650      2.100149
99
Coordinates from ORCA-job orca E -6204.759290721344
  N      -3.086996      1.659974      4.799709
  Mo     -3.710177      3.467449      5.048924
  N      -4.511000      3.305102      6.853216
  C      -3.662243      3.319253      8.040754
  C      -2.372684      2.532656      7.770822
  N      -1.718092      3.022185      6.539191
  C      -0.918341      2.013071      5.826284
  C      -1.820453      1.019866      5.059877
  C      -1.042097      4.321395      6.690189
  C      -1.403655      5.211234      5.483823
  N      -2.856317      5.224812      5.337432
  H      -1.323523      0.728274      4.114862
  H      -1.963479      0.087673      5.636089
  H      -0.279051      2.547989      5.113198
  H      -0.255246      1.471114      6.521787
  H      -1.000847      6.228036      5.620597
  H      -0.933839      4.798127      4.574338
  H      -1.410325      4.799348      7.607834
  H       0.049903      4.200133      6.789473
  H      -4.181815      2.850979      8.894759
  H      -3.421876      4.352933      8.353194
  H      -2.634594      1.478832      7.604589
  H      -1.678980      2.585114      8.629682
  C      -4.080183      1.143820      3.886323
  C      -4.929854     -0.046304      4.349409
  C      -6.306037     -0.047957      3.644928
  C      -6.199038      0.194976      2.161695
  N      -6.322608      1.461848      1.766188
  C      -6.159877      1.727653      0.443540
  N      -5.883313      0.869829     -0.517117
  C      -5.765222     -0.441676     -0.141050
  C      -5.480882     -1.418809     -1.125388
  C      -5.349149     -2.744741     -0.763891
  C      -5.496016     -3.144031      0.584790
  C      -5.777258     -2.212729      1.563733
  C      -5.919207     -0.843282      1.224829
  C      -3.550165      6.330759      6.005756
  C      -3.548117      7.638475      5.202654
  C      -4.096003      7.502406      3.780277
  C      -5.541555      7.081468      3.673853
  N      -6.316080      7.260696      4.735470
  C      -7.628829      6.918668      4.622813
  N      -8.241420      6.402397      3.580380
  C      -7.463904      6.192297      2.474862
  C      -8.058826      5.625430      1.322092
  C      -7.309562      5.436365      0.178795
  C      -5.945229      5.806046      0.142343
  C      -5.335876      6.347467      1.260570
  C      -6.076502      6.541991      2.456841
  C      -5.926615      3.006804      7.052796
  C      -6.790893      4.250763      7.286400
  C      -8.282830      3.933569      7.364222
  C      -8.921390      3.504965      6.061739
  N      -8.168675      3.463304      4.972750
  C      -8.759761      3.080631      3.804719
  N     -10.015414      2.741806      3.618099
  C     -10.819772      2.781244      4.724391
  C     -12.183590      2.427800      4.595290
  C     -13.009200      2.451738      5.700231
  C     -12.507313      2.830716      6.968075
  C     -11.182093      3.183170      7.120483
  C     -10.309451      3.164365      6.004705
  H      -3.663988      0.953874      2.877288
  H      -4.816614      1.990798      3.717996
  H      -5.084368      0.011023      5.436527
  H      -4.386482     -0.982465      4.144624
  H      -6.829547     -0.990625      3.858545
  H      -6.912226      0.771874      4.054269
  H      -6.270908      2.782681      0.163194
  H      -5.378050     -1.089217     -2.159276
  H      -5.134728     -3.497816     -1.523891
  H      -5.390313     -4.197598      0.848539
  H      -5.897202     -2.534233      2.597973
  H      -4.593520      6.027268      6.169436
  H      -3.106680      6.513977      7.002683
  H      -2.525460      8.042546      5.137951
  H      -4.144780      8.369148      5.768249
  H      -3.985216      8.466341      3.254000
  H      -3.466047      6.794968      3.218999
  H      -8.234356      7.099490      5.517002
  H      -9.114326      5.356599      1.372995
  H      -7.771429      5.008532     -0.712717
  H      -5.382429      5.674158     -0.784834
  H      -4.290152      6.655554      1.211175
  H      -6.040901      2.304776      7.902209
  H      -6.313237      2.498572      6.155365
  H      -6.484406      4.750075      8.219840
  H      -6.607041      4.955068      6.460717
  H      -8.470670      3.147961      8.118890
  H      -8.830932      4.814783      7.737784
  H      -8.093866      3.036229      2.938063
  H     -12.550146      2.140619      3.608220
  H     -14.060187      2.177104      5.598501
  H     -13.176701      2.845152      7.829069
  H     -10.805640      3.476291      8.101676
  N      -3.215130      3.855701      2.755079
  H      -2.251347      4.163403      2.604394
  H      -3.814316      4.631381      2.465186
  H      -3.396266      3.098739      2.094186
99
Coordinates from ORCA-job orca E -6204.760213710852
  N      -3.083454      1.672857      4.780582
  Mo     -3.709120      3.475749      5.036013
  N      -4.508079      3.314480      6.839644
  C      -3.662792      3.332289      8.027296
  C      -2.376061      2.540041      7.762638
  N      -1.719320      3.022479      6.531713
  C      -0.925111      2.010896      5.819186
  C      -1.834762      1.014324      5.072692
  C      -1.037943      4.318143      6.677180
  C      -1.397393      5.202766      5.467400
  N      -2.848968      5.226029      5.328955
  H      -1.332589      0.686400      4.142817
  H      -2.004234      0.101847      5.673430
  H      -0.296067      2.542572      5.094279
  H      -0.252219      1.473057      6.509019
  H      -0.985482      6.217205      5.595108
  H      -0.936773      4.778811      4.558392
  H      -1.402421      4.801648      7.593382
  H       0.053999      4.193792      6.775142
  H      -4.185009      2.870653      8.883294
  H      -3.418696      4.366613      8.334490
  H      -2.642347      1.486480      7.600744
  H      -1.684184      2.592841      8.623113
  C      -4.075078      1.146847      3.873369
  C      -4.916056     -0.045421      4.346687
  C      -6.294073     -0.059234      3.645523
  C      -6.192494      0.179647      2.161274
  N      -6.323400      1.445144      1.762831
  C      -6.164399      1.708254      0.439640
  N      -5.885238      0.849763     -0.519484
  C      -5.760237     -0.460266     -0.140934
  C      -5.472915     -1.438063     -1.123527
  C      -5.334346     -2.762661     -0.759479
  C      -5.477012     -3.159464      0.590123
  C      -5.760596     -2.227359      1.567711
  C      -5.909692     -0.859267      1.226325
  C      -3.532877      6.328394      6.010836
  C      -3.533553      7.640841      5.215599
  C      -4.093976      7.513809      3.797420
  C      -5.541278      7.097026      3.703128
  N      -6.309182      7.288026      4.767873
  C      -7.624059      6.950929      4.665746
  N      -8.244950      6.427229      3.631930
  C      -7.474396      6.204108      2.523892
  C      -8.077536      5.628489      1.379896
  C      -7.334327      5.424956      0.234698
  C      -5.968666      5.790031      0.187533
  C      -5.352175      6.342117      1.296195
  C      -6.085360      6.549295      2.494688
  C      -5.921668      3.009335      7.033938
  C      -6.790361      4.251153      7.264238
  C      -8.282027      3.932762      7.340310
  C      -8.919555      3.502153      6.038388
  N      -8.164952      3.451852      4.950854
  C      -8.756124      3.068122      3.783897
  N     -10.014042      2.737282      3.596413
  C     -10.820547      2.784826      4.701131
  C     -12.186527      2.438920      4.571449
  C     -13.013406      2.470317      5.675447
  C     -12.510797      2.849685      6.942587
  C     -11.183612      3.195241      7.095426
  C     -10.309464      3.168659      5.980762
  H      -3.656045      0.949795      2.866615
  H      -4.810632      1.988619      3.697971
  H      -5.069360      0.018808      5.433625
  H      -4.369208     -0.980663      4.147966
  H      -6.810338     -1.005040      3.862869
  H      -6.905000      0.757551      4.053845
  H      -6.280648      2.761945      0.157223
  H      -5.373215     -1.110184     -2.158239
  H      -5.117691     -3.516355     -1.518246
  H      -5.366000     -4.211938      0.855896
  H      -5.876933     -2.547001      2.602868
  H      -4.575484      6.026775      6.182976
  H      -3.079103      6.505848      7.004098
  H      -2.510205      8.041875      5.144415
  H      -4.123289      8.369919      5.790227
  H      -3.986844      8.481319      3.276819
  H      -3.470852      6.808647      3.226420
  H      -8.224131      7.142454      5.561557
  H      -9.134336      5.363983      1.438751
  H      -7.802344      4.989533     -0.649813
  H      -5.409827      5.646547     -0.740168
  H      -4.306098      6.648573      1.237161
  H      -6.037145      2.307039      7.883023
  H      -6.303450      2.499930      6.135081
  H      -6.485817      4.752560      8.197234
  H      -6.606394      4.954625      6.437880
  H      -8.469627      3.147826      8.095658
  H      -8.830941      4.814199      7.712171
  H      -8.088995      3.015476      2.918310
  H     -12.553393      2.151100      3.584820
  H     -14.065996      2.201119      5.573410
  H     -13.181043      2.870003      7.802875
  H     -10.806620      3.488808      8.076146
  N      -3.241484      3.871680      2.747496
  H      -2.284541      4.197100      2.589340
  H      -3.857076      4.634678      2.458256
  H      -3.412962      3.109616      2.091744
99
Coordinates from ORCA-job orca E -6204.761059192628
  N      -3.080276      1.686747      4.759932
  Mo     -3.708435      3.485379      5.024019
  N      -4.505004      3.323603      6.826944
  C      -3.662714      3.345023      8.014770
  C      -2.378479      2.547485      7.755274
  N      -1.719566      3.023169      6.524963
  C      -0.932017      2.009106      5.811312
  C      -1.850140      1.010572      5.084298
  C      -1.032396      4.315077      6.665332
  C      -1.390572      5.195791      5.453258
  N      -2.841165      5.228469      5.322791
  H      -1.343649      0.646482      4.170642
  H      -2.046103      0.119098      5.708757
  H      -0.313911      2.537872      5.074468
  H      -0.248859      1.474602      6.494237
  H      -0.970029      6.207786      5.572968
  H      -0.939076      4.762495      4.544190
  H      -1.392302      4.803382      7.580779
  H       0.059492      4.187267      6.761051
  H      -4.187451      2.890093      8.872802
  H      -3.414967      4.379998      8.316455
  H      -2.648712      1.494168      7.597822
  H      -1.688686      2.600903      8.617513
  C      -4.071236      1.151451      3.859171
  C      -4.902168     -0.043665      4.342812
  C      -6.282757     -0.070961      3.646771
  C      -6.188483      0.162799      2.161252
  N      -6.328288      1.426295      1.758872
  C      -6.175337      1.685527      0.434544
  N      -5.894416      0.825686     -0.522654
  C      -5.760604     -0.482291     -0.140389
  C      -5.470995     -1.461527     -1.120643
  C      -5.323793     -2.784207     -0.752972
  C      -5.459656     -3.177326      0.598174
  C      -5.744909     -2.243707      1.573818
  C      -5.903031     -0.877487      1.228775
  C      -3.515161      6.327697      6.017544
  C      -3.517989      7.644877      5.230079
  C      -4.090233      7.527644      3.816005
  C      -5.539059      7.114568      3.732859
  N      -6.300426      7.314385      4.800997
  C      -7.616583      6.980050      4.709000
  N      -8.244549      6.449284      3.683013
  C      -7.481038      6.216556      2.572032
  C      -8.091176      5.632621      1.436013
  C      -7.353887      5.417378      0.288748
  C      -5.988035      5.780859      0.231167
  C      -5.365645      6.343427      1.330870
  C      -6.091510      6.559984      2.532012
  C      -5.916662      3.011344      7.015976
  C      -6.790101      4.251121      7.241424
  C      -8.281506      3.931426      7.315591
  C      -8.917715      3.498182      6.014118
  N      -8.161104      3.439259      4.928102
  C      -8.752152      3.053988      3.762040
  N     -10.012113      2.729969      3.573503
  C     -10.820741      2.785507      4.676600
  C     -12.188704      2.446058      4.546228
  C     -13.017056      2.484986      5.649077
  C     -12.514134      2.865862      6.915530
  C     -11.185139      3.205452      7.068947
  C     -10.309315      3.171066      5.955581
  H      -3.650346      0.948323      2.854155
  H      -4.807033      1.987966      3.677695
  H      -5.053182      0.026901      5.429738
  H      -4.351039     -0.977258      4.149053
  H      -6.790674     -1.020105      3.869142
  H      -6.898498      0.742536      4.054466
  H      -6.298272      2.737436      0.149137
  H      -5.376411     -1.136406     -2.156626
  H      -5.105433     -3.539040     -1.510037
  H      -5.341946     -4.228316      0.866792
  H      -5.855634     -2.560451      2.610375
  H      -4.557024      6.028229      6.198066
  H      -3.051326      6.499660      7.007102
  H      -2.493883      8.042671      5.152939
  H      -4.100845      8.372384      5.813496
  H      -3.986801      8.499073      3.301884
  H      -3.473568      6.825434      3.234984
  H      -8.211481      7.179889      5.606552
  H      -9.148316      5.370084      1.502516
  H      -7.827082      4.974284     -0.589074
  H      -5.432992      5.628099     -0.697275
  H      -4.320134      6.650626      1.262373
  H      -6.033283      2.309281      7.865152
  H      -6.293068      2.500018      6.115899
  H      -6.487637      4.755757      8.173481
  H      -6.605873      4.952880      6.413527
  H      -8.469049      3.147626      8.072175
  H      -8.831368      4.813288      7.684996
  H      -8.083651      2.993131      2.897858
  H     -12.555601      2.156700      3.560050
  H     -14.071094      2.220433      5.546636
  H     -13.185405      2.892081      7.774973
  H     -10.807918      3.500191      8.049219
  N      -3.269881      3.890997      2.739498
  H      -2.319731      4.232013      2.573349
  H      -3.901175      4.642756      2.453089
  H      -3.433964      3.124344      2.086598
99
Coordinates from ORCA-job orca E -6204.761813433690
  N      -3.079752      1.700943      4.737582
  Mo     -3.711416      3.495402      5.013461
  N      -4.502642      3.330119      6.816588
  C      -3.661231      3.354980      8.003527
  C      -2.378816      2.554192      7.746565
  N      -1.720130      3.025043      6.516282
  C      -0.939775      2.009589      5.798743
  C      -1.866537      1.009956      5.090271
  C      -1.028130      4.313677      6.652264
  C      -1.388344      5.192458      5.440309
  N      -2.838220      5.232329      5.319077
  H      -1.358075      0.613084      4.191757
  H      -2.085300      0.138745      5.736010
  H      -0.333880      2.536585      5.050169
  H      -0.245468      1.477782      6.473093
  H      -0.961082      6.202458      5.553882
  H      -0.945931      4.753007      4.529845
  H      -1.382096      4.804870      7.568507
  H       0.063900      4.183147      6.743379
  H      -4.186551      2.905497      8.863916
  H      -3.410661      4.390628      8.300059
  H      -2.651546      1.500893      7.593191
  H      -1.690137      2.608763      8.609663
  C      -4.071647      1.157556      3.844054
  C      -4.891218     -0.041397      4.337336
  C      -6.275063     -0.083099      3.648120
  C      -6.189393      0.144336      2.161073
  N      -6.339311      1.405043      1.753056
  C      -6.193458      1.658341      0.426881
  N      -5.910530      0.795885     -0.527414
  C      -5.766394     -0.509245     -0.139488
  C      -5.473705     -1.491303     -1.116112
  C      -5.316351     -2.811310     -0.742842
  C      -5.444727     -3.198726      0.610644
  C      -5.732379     -2.262237      1.583051
  C      -5.900938     -0.898561      1.232274
  C      -3.502731      6.328087      6.027122
  C      -3.505830      7.650966      5.249332
  C      -4.085083      7.545214      3.837832
  C      -5.534633      7.134463      3.760005
  N      -6.293732      7.339054      4.829110
  C      -7.610302      7.005917      4.741097
  N      -8.240325      6.469697      3.718897
  C      -7.479281      6.231662      2.607368
  C      -8.090733      5.641479      1.475086
  C      -7.354381      5.418971      0.328328
  C      -5.988903      5.783571      0.267045
  C      -5.366204      6.354497      1.361910
  C      -6.089987      6.575746      2.563170
  C      -5.911925      3.010025      7.002632
  C      -6.790031      4.247049      7.225686
  C      -8.280975      3.925468      7.298460
  C      -8.915542      3.491106      5.996934
  N      -8.156542      3.425217      4.912709
  C      -8.746853      3.039835      3.746793
  N     -10.008541      2.722433      3.556190
  C     -10.819538      2.784384      4.657427
  C     -12.189191      2.451480      4.525283
  C     -13.019507      2.496538      5.626554
  C     -12.517044      2.877246      6.893074
  C     -11.186507      3.210639      7.048173
  C     -10.308564      3.170038      5.936504
  H      -3.650924      0.950535      2.839467
  H      -4.809271      1.988674      3.659320
  H      -5.038624      0.034334      5.424476
  H      -4.335179     -0.972558      4.146675
  H      -6.773772     -1.035671      3.876563
  H      -6.895612      0.726959      4.055542
  H      -6.324192      2.707836      0.136843
  H      -5.384744     -1.170561     -2.154013
  H      -5.095573     -3.568314     -1.497196
  H      -5.319171     -4.247709      0.883679
  H      -5.836867     -2.574433      2.621678
  H      -4.544063      6.031078      6.214544
  H      -3.029972      6.493325      7.013625
  H      -2.480863      8.045822      5.169845
  H      -4.083618      8.376053      5.840541
  H      -3.984463      8.521173      3.331775
  H      -3.472235      6.847362      3.247959
  H      -8.203792      7.210580      5.638526
  H      -9.147950      5.379098      1.543890
  H      -7.828422      4.969834     -0.546034
  H      -5.433633      5.625430     -0.660122
  H      -4.321676      6.664511      1.289153
  H      -6.027810      2.307418      7.851427
  H      -6.284217      2.497369      6.101632
  H      -6.488960      4.753803      8.156990
  H      -6.606263      4.947974      6.397023
  H      -8.468067      3.141928      8.055295
  H      -8.831944      4.807152      7.666468
  H      -8.076704      2.972236      2.884306
  H     -12.555539      2.161878      3.539039
  H     -14.074766      2.236843      5.522827
  H     -13.189729      2.908246      7.751344
  H     -10.809667      3.505261      8.028547
  N      -3.303463      3.913070      2.731103
  H      -2.363100      4.277201      2.556392
  H      -3.955646      4.647493      2.445099
  H      -3.452734      3.140775      2.083393
99
Coordinates from ORCA-job orca E -6204.762484658934
  N      -3.077765      1.711952      4.717193
  Mo     -3.711658      3.503445      5.001449
  N      -4.499145      3.338015      6.804859
  C      -3.659627      3.368448      7.991781
  C      -2.378887      2.563097      7.740680
  N      -1.718785      3.025551      6.509364
  C      -0.946856      2.005603      5.791141
  C      -1.883860      1.005617      5.102526
  C      -1.020424      4.310678      6.638291
  C      -1.381684      5.186058      5.424623
  N      -2.831114      5.234151      5.312220
  H      -1.373359      0.572655      4.222213
  H      -2.128230      0.158049      5.770754
  H      -0.351498      2.527806      5.030280
  H      -0.243103      1.476749      6.458525
  H      -0.946984      6.193842      5.530470
  H      -0.948523      4.738886      4.513601
  H      -1.368080      4.806874      7.554265
  H       0.071625      4.176278      6.725225
  H      -4.186913      2.926655      8.855019
  H      -3.406053      4.405314      8.280938
  H      -2.654453      1.509561      7.594131
  H      -1.691975      2.620780      8.605033
  C      -4.070539      1.158943      3.831115
  C      -4.880076     -0.042118      4.335231
  C      -6.266319     -0.097053      3.651542
  C      -6.187387      0.125848      2.163468
  N      -6.346328      1.384234      1.752095
  C      -6.206571      1.634292      0.424687
  N      -5.921624      0.771065     -0.528204
  C      -5.767878     -0.531780     -0.136825
  C      -5.471889     -1.514669     -1.111498
  C      -5.304736     -2.832400     -0.735047
  C      -5.426152     -3.216664      0.620032
  C      -5.716643     -2.279372      1.590767
  C      -5.895397     -0.917885      1.236680
  C      -3.485559      6.327268      6.032584
  C      -3.489999      7.655008      5.262809
  C      -4.081534      7.560306      3.855697
  C      -5.532803      7.154137      3.789195
  N      -6.284233      7.365987      4.862399
  C      -7.602138      7.035171      4.785284
  N      -8.239724      6.492157      3.771334
  C      -7.486841      6.246605      2.655980
  C      -8.105820      5.648474      1.532042
  C      -7.377026      5.416908      0.382109
  C      -6.012265      5.782405      0.308547
  C      -5.382753      6.362794      1.394202
  C      -6.097697      6.590510      2.599512
  C      -5.906689      3.011114      6.987826
  C      -6.789451      4.245986      7.206112
  C      -8.280106      3.922872      7.275585
  C      -8.911650      3.486909      5.973334
  N      -8.149265      3.413833      4.891741
  C      -8.737817      3.028108      3.725344
  N     -10.000947      2.716995      3.531426
  C     -10.815156      2.785516      4.629957
  C     -12.186262      2.458792      4.494719
  C     -13.019597      2.510278      5.593454
  C     -12.518909      2.891488      6.860456
  C     -11.187072      3.218998      7.018521
  C     -10.305984      3.171824      5.909524
  H      -3.649367      0.945735      2.827994
  H      -4.809626      1.984839      3.641122
  H      -5.024813      0.039907      5.422390
  H      -4.319591     -0.971325      4.148767
  H      -6.756275     -1.052858      3.884744
  H      -6.891798      0.709384      4.058773
  H      -6.344365      2.681991      0.132065
  H      -5.388081     -1.196433     -2.150621
  H      -5.081303     -3.589969     -1.487980
  H      -5.292861     -4.263931      0.895586
  H      -5.815302     -2.588961      2.630786
  H      -4.526220      6.032806      6.227950
  H      -3.003113      6.486546      7.015348
  H      -2.464016      8.045936      5.177262
  H      -4.060216      8.378602      5.863195
  H      -3.983848      8.540278      3.356624
  H      -3.476014      6.865404      3.255485
  H      -8.189695      7.246990      5.684988
  H      -9.162814      5.386695      1.609506
  H      -7.856949      4.960794     -0.485189
  H      -5.462380      5.617636     -0.620630
  H      -4.339536      6.674977      1.310833
  H      -6.022341      2.309386      7.837391
  H      -6.274518      2.495635      6.086525
  H      -6.491086      4.755538      8.136821
  H      -6.604714      4.945420      6.376370
  H      -8.467848      3.139959      8.032908
  H      -8.832554      4.804693      7.641038
  H      -8.065294      2.954038      2.865239
  H     -12.551066      2.168456      3.508161
  H     -14.075896      2.255207      5.487394
  H     -13.193833      2.927506      7.716793
  H     -10.811623      3.513943      7.999284
  N      -3.332956      3.928907      2.721514
  H      -2.401152      4.310421      2.538636
  H      -4.001872      4.648765      2.436390
  H      -3.471914      3.150357      2.077343
99
Coordinates from ORCA-job orca E -6204.763079880549
  N      -3.075124      1.722173      4.697128
  Mo     -3.711740      3.510994      4.990854
  N      -4.495809      3.343847      6.793922
  C      -3.658072      3.380525      7.980994
  C      -2.378171      2.572107      7.736036
  N      -1.716690      3.026647      6.503877
  C      -0.953110      2.002206      5.784698
  C      -1.899698      1.002847      5.113594
  C      -1.012662      4.308456      6.626422
  C      -1.375776      5.181591      5.412100
  N      -2.824733      5.236155      5.307320
  H      -1.388207      0.536563      4.251176
  H      -2.167990      0.178706      5.802081
  H      -0.367264      2.519742      5.012734
  H      -0.241119      1.475405      6.445536
  H      -0.935249      6.187562      5.512012
  H      -0.950358      4.728883      4.500242
  H      -1.353774      4.808669      7.542710
  H       0.079377      4.170497      6.708626
  H      -4.186817      2.946048      8.846970
  H      -3.402477      4.418768      8.262568
  H      -2.655226      1.518062      7.596388
  H      -1.693490      2.633948      8.601895
  C      -4.068894      1.160939      3.818075
  C      -4.868455     -0.042790      4.331224
  C      -6.256947     -0.110298      3.652821
  C      -6.184535      0.107660      2.163653
  N      -6.351715      1.363665      1.748281
  C      -6.217954      1.609694      0.419467
  N      -5.931482      0.744926     -0.531605
  C      -5.768866     -0.555524     -0.136078
  C      -5.470032     -1.540101     -1.108258
  C      -5.294068     -2.855528     -0.727891
  C      -5.409137     -3.235818      0.628961
  C      -5.701941     -2.296905      1.597481
  C      -5.889742     -0.937588      1.239341
  C      -3.470623      6.327189      6.037731
  C      -3.475328      7.658900      5.274745
  C      -4.078138      7.573968      3.872038
  C      -5.531373      7.173708      3.816297
  N      -6.275280      7.392712      4.893379
  C      -7.594533      7.064628      4.826662
  N      -8.239341      6.515112      3.820661
  C      -7.494503      6.262528      2.701569
  C      -8.120700      5.656871      1.585583
  C      -7.399329      5.416947      0.432635
  C      -6.035492      5.783759      0.347284
  C      -5.399515      6.372972      1.424148
  C      -6.105728      6.606309      2.633370
  C      -5.901441      3.009590      6.974408
  C      -6.788910      4.241826      7.188818
  C      -8.279247      3.917125      7.255282
  C      -8.908014      3.479471      5.952569
  N      -8.142246      3.397528      4.873818
  C      -8.729419      3.012052      3.706996
  N      -9.994324      2.709432      3.509582
  C     -10.811669      2.786304      4.605249
  C     -12.184600      2.468634      4.466666
  C     -13.021007      2.528659      5.562621
  C     -12.521752      2.909620      6.830115
  C     -11.188222      3.228422      6.991384
  C     -10.303945      3.172543      5.885302
  H      -3.647680      0.943204      2.815844
  H      -4.810333      1.981583      3.623941
  H      -5.010786      0.044265      5.418407
  H      -4.303320     -0.969667      4.147920
  H      -6.738646     -1.068997      3.890945
  H      -6.886891      0.692876      4.059761
  H      -6.362354      2.655519      0.123708
  H      -5.390880     -1.225061     -2.148802
  H      -5.068310     -3.614280     -1.478984
  H      -5.269009     -4.281400      0.907585
  H      -5.795304     -2.603177      2.639073
  H      -4.510754      6.035306      6.239664
  H      -2.980141      6.481707      7.017215
  H      -2.448225      8.045494      5.183521
  H      -4.038080      8.381730      5.883016
  H      -3.982009      8.557066      3.378667
  H      -3.480228      6.880692      3.262871
  H      -8.176401      7.283537      5.728345
  H      -9.177162      5.395251      1.671364
  H      -7.884810      4.953903     -0.427808
  H      -5.490794      5.613045     -0.583720
  H      -4.357671      6.687189      1.330701
  H      -6.015996      2.308508      7.824595
  H      -6.265109      2.491412      6.072946
  H      -6.492990      4.753819      8.118891
  H      -6.603353      4.939988      6.358333
  H      -8.467692      3.135066      8.013183
  H      -8.832918      4.799260      7.618020
  H      -8.054672      2.930301      2.849393
  H     -12.548117      2.178127      3.479790
  H     -14.078645      2.280539      5.454022
  H     -13.198957      2.952381      7.684339
  H     -10.813950      3.523258      7.972518
  N      -3.359837      3.945069      2.712714
  H      -2.438776      4.348784      2.522938
  H      -4.047776      4.646265      2.425797
  H      -3.481844      3.160113      2.074141
99
Coordinates from ORCA-job orca E -6204.763622081370
  N      -3.070483      1.730172      4.678745
  Mo     -3.708783      3.517214      4.980100
  N      -4.492040      3.350272      6.781882
  C      -3.657484      3.394855      7.970164
  C      -2.378352      2.582325      7.734660
  N      -1.713334      3.026306      6.501549
  C      -0.959023      1.994782      5.784265
  C      -1.916207      0.997494      5.130138
  C      -1.002226      4.304215      6.616488
  C      -1.365383      5.174383      5.400211
  N      -2.813845      5.236366      5.301449
  H      -1.403765      0.495877      4.288460
  H      -2.211524      0.199813      5.838855
  H      -0.380240      2.505243      5.001649
  H      -0.241212      1.469418      6.440530
  H      -0.918510      6.178295      5.493696
  H      -0.947044      4.715212      4.488385
  H      -1.336774      4.809921      7.532232
  H       0.089585      4.161414      6.694844
  H      -4.189201      2.969606      8.838940
  H      -3.399635      4.434842      8.242345
  H      -2.657190      1.527662      7.603632
  H      -1.697033      2.649701      8.602823
  C      -4.064908      1.160501      3.806265
  C      -4.855674     -0.044979      4.328268
  C      -6.245487     -0.124132      3.653514
  C      -6.177755      0.090506      2.163700
  N      -6.352446      1.344552      1.746190
  C      -6.223720      1.588687      0.416507
  N      -5.935305      0.723928     -0.533917
  C      -5.764165     -0.574539     -0.136072
  C      -5.461820     -1.559121     -1.107068
  C      -5.277165     -2.872559     -0.724772
  C      -5.386678     -3.250984      0.633175
  C      -5.682607     -2.312169      1.600717
  C      -5.879376     -0.954742      1.240521
  C      -3.451507      6.326850      6.039029
  C      -3.457294      7.660488      5.279060
  C      -4.075768      7.582503      3.882656
  C      -5.531716      7.190375      3.843476
  N      -6.263066      7.418946      4.927158
  C      -7.584192      7.094815      4.877192
  N      -8.241131      6.537853      3.883155
  C      -7.509807      6.276500      2.757328
  C      -8.149112      5.662915      1.653146
  C      -7.441398      5.413535      0.493860
  C      -6.078778      5.780600      0.389463
  C      -5.430316      6.378444      1.453893
  C      -6.121481      6.618789      2.670368
  C      -5.896331      3.009665      6.959172
  C      -6.788227      4.240042      7.167014
  C      -8.278468      3.914622      7.230186
  C      -8.904600      3.473391      5.927563
  N      -8.135458      3.379321      4.852007
  C      -8.721682      2.992406      3.685326
  N      -9.988690      2.699407      3.484717
  C     -10.809049      2.787861      4.577196
  C     -12.184141      2.480490      4.435610
  C     -13.023634      2.552303      5.528446
  C     -12.525495      2.935112      6.795810
  C     -11.189930      3.244041      6.959933
  C     -10.302460      3.176132      5.857070
  H      -3.642870      0.937124      2.805637
  H      -4.808205      1.976244      3.606506
  H      -4.996940      0.047360      5.415280
  H      -4.285962     -0.969675      4.148838
  H      -6.719378     -1.085637      3.895170
  H      -6.880124      0.675511      4.060185
  H      -6.374467      2.633014      0.119231
  H      -5.386682     -1.245725     -2.148433
  H      -5.048486     -3.631145     -1.475050
  H      -5.239723     -4.295103      0.913306
  H      -5.771261     -2.616681      2.643303
  H      -4.491019      6.037604      6.248170
  H      -2.953001      6.479150      7.014690
  H      -2.429036      8.041674      5.178341
  H      -4.010343      8.384415      5.894931
  H      -3.981128      8.567463      3.392371
  H      -3.488714      6.888520      3.264383
  H      -8.156153      7.322874      5.782913
  H      -9.204733      5.402272      1.752785
  H      -7.937139      4.943451     -0.356682
  H      -5.544368      5.603135     -0.546118
  H      -4.390149      6.693583      1.344952
  H      -6.010661      2.310651      7.811059
  H      -6.255206      2.487430      6.058074
  H      -6.495130      4.755923      8.095858
  H      -6.600935      4.935557      6.334741
  H      -8.468420      3.134884      7.990114
  H      -8.832960      4.798104      7.588327
  H      -8.044805      2.900527      2.830530
  H     -12.546609      2.188097      3.448921
  H     -14.082876      2.312091      5.417569
  H     -13.204984      2.987153      7.647686
  H     -10.816599      3.540333      7.940954
  N      -3.380943      3.957271      2.703981
  H      -2.468392      4.376669      2.508410
  H      -4.083138      4.644273      2.416479
  H      -3.490965      3.166086      2.068802
99
Coordinates from ORCA-job orca E -6204.764135149077
  N      -3.067765      1.743108      4.655889
  Mo     -3.709603      3.527184      4.972313
  N      -4.489732      3.353621      6.772183
  C      -3.656576      3.405089      7.960748
  C      -2.377279      2.591411      7.731360
  N      -1.710805      3.028766      6.497935
  C      -0.965953      1.992289      5.778408
  C      -1.933026      0.998794      5.137267
  C      -0.993902      4.302893      6.608232
  C      -1.360192      5.174008      5.394055
  N      -2.808094      5.240679      5.301989
  H      -1.421675      0.466772      4.313864
  H      -2.252288      0.225361      5.862724
  H      -0.394639      2.498369      4.986869
  H      -0.242331      1.466267      6.428541
  H      -0.909385      6.176507      5.485075
  H      -0.948088      4.713255      4.480216
  H      -1.320335      4.810666      7.525887
  H       0.097787      4.155895      6.680063
  H      -4.189148      2.986778      8.832117
  H      -3.397640      4.446641      8.224718
  H      -2.655903      1.535944      7.606922
  H      -1.698898      2.664035      8.601461
  C      -4.064228      1.167960      3.790134
  C      -4.843549     -0.042072      4.318506
  C      -6.235713     -0.135233      3.650014
  C      -6.175561      0.072449      2.158855
  N      -6.359317      1.323039      1.734821
  C      -6.238333      1.559865      0.402916
  N      -5.949271      0.691533     -0.544061
  C      -5.768053     -0.603338     -0.139276
  C      -5.463558     -1.591783     -1.105783
  C      -5.269245     -2.901887     -0.716802
  C      -5.370880     -3.273236      0.643853
  C      -5.668374     -2.330618      1.607221
  C      -5.874939     -0.976283      1.240064
  C      -3.438686      6.329949      6.047051
  C      -3.443631      7.666374      5.291995
  C      -4.070321      7.595605      3.899567
  C      -5.527549      7.207746      3.868573
  N      -6.253344      7.439199      4.955466
  C      -7.574532      7.115203      4.912940
  N      -8.235509      6.552930      3.924060
  C      -7.510538      6.290117      2.794764
  C      -8.154090      5.672188      1.694996
  C      -7.451768      5.420585      0.533115
  C      -6.090821      5.791593      0.421038
  C      -5.438930      6.394765      1.480164
  C      -6.123716      6.635053      2.699822
  C      -5.891907      3.004930      6.947556
  C      -6.788756      4.232222      7.151746
  C      -8.278608      3.905165      7.213907
  C      -8.903580      3.460841      5.912065
  N      -8.131940      3.353943      4.839123
  C      -8.718264      2.965737      3.673103
  N      -9.987685      2.683130      3.470248
  C     -10.810172      2.784190      4.560116
  C     -12.187749      2.488602      4.416430
  C     -13.029554      2.573246      5.506623
  C     -12.531402      2.957353      6.773531
  C     -11.193452      3.254935      6.939663
  C     -10.303583      3.174173      5.839451
  H      -3.643765      0.943415      2.788816
  H      -4.811403      1.978652      3.589128
  H      -4.982093      0.053143      5.405706
  H      -4.267785     -0.963037      4.140053
  H      -6.700388     -1.099632      3.897794
  H      -6.874961      0.660945      4.056397
  H      -6.396867      2.601178      0.099975
  H      -5.394282     -1.284090     -2.149365
  H      -5.038759     -3.663278     -1.463720
  H      -5.216564     -4.314964      0.929240
  H      -5.750627     -2.629240      2.652178
  H      -4.477802      6.043274      6.261326
  H      -2.933868      6.479220      7.019865
  H      -2.414304      8.043335      5.187035
  H      -3.990392      8.390277      5.913192
  H      -3.977330      8.582977      3.413706
  H      -3.489063      6.903160      3.274352
  H      -8.142635      7.346547      5.820141
  H      -9.208480      5.409196      1.799886
  H      -7.950734      4.945684     -0.313072
  H      -5.559568      5.612884     -0.515688
  H      -4.400705      6.713823      1.364560
  H      -6.004083      2.306547      7.800107
  H      -6.246526      2.479712      6.046596
  H      -6.496893      4.751404      8.078965
  H      -6.601630      4.925801      6.318088
  H      -8.468737      3.127503      7.975720
  H      -8.833687      4.789639      7.568456
  H      -8.039904      2.862498      2.820797
  H     -12.550022      2.194631      3.430177
  H     -14.090636      2.342187      5.394142
  H     -13.212559      3.019434      7.623483
  H     -10.820230      3.552295      7.920334
  N      -3.407193      3.979753      2.696354
  H      -2.506780      4.422754      2.495841
  H      -4.128710      4.646777      2.406786
  H      -3.496495      3.183311      2.065359
99
Coordinates from ORCA-job orca E -6204.764569500680
  N      -3.061510      1.751957      4.635492
  Mo     -3.706103      3.533999      4.963884
  N      -4.485977      3.356931      6.761268
  C      -3.655673      3.416841      7.951298
  C      -2.376176      2.600794      7.731568
  N      -1.706204      3.028509      6.497284
  C      -0.971164      1.984280      5.779424
  C      -1.948940      0.995761      5.150250
  C      -0.982016      4.298547      6.601004
  C      -1.349239      5.169025      5.386604
  N      -2.796814      5.241537      5.299774
  H      -1.438351      0.432394      4.347551
  H      -2.294450      0.248379      5.891357
  H      -0.404091      2.483365      4.979760
  H      -0.244722      1.457336      6.426309
  H      -0.893731      6.169846      5.473826
  H      -0.942870      4.704841      4.471989
  H      -1.300635      4.810535      7.519201
  H       0.109338      4.146102      6.667647
  H      -4.190894      3.007485      8.825281
  H      -3.395272      4.460308      8.205245
  H      -2.655026      1.544422      7.615833
  H      -1.701568      2.680266      8.604093
  C      -4.060147      1.170302      3.776441
  C      -4.829307     -0.042726      4.312004
  C      -6.222769     -0.148830      3.648067
  C      -6.168623      0.053321      2.155948
  N      -6.362828      1.300666      1.727699
  C      -6.250242      1.532950      0.394069
  N      -5.959489      0.663112     -0.551187
  C      -5.766099     -0.628460     -0.141727
  C      -5.457825     -1.618435     -1.105645
  C      -5.251591     -2.925295     -0.712464
  C      -5.344728     -3.292165      0.650307
  C      -5.645524     -2.348140      1.611312
  C      -5.864139     -0.996841      1.239725
  C      -3.420700      6.331066      6.049680
  C      -3.427204      7.668344      5.295383
  C      -4.069506      7.603007      3.909590
  C      -5.529246      7.223410      3.895222
  N      -6.241573      7.461586      4.989504
  C      -7.563848      7.140127      4.964440
  N      -8.236748      6.571116      3.987385
  C      -7.526514      6.303391      2.850158
  C      -8.183116      5.679081      1.761706
  C      -7.495902      5.422570      0.592088
  C      -6.137809      5.796986      0.459868
  C      -5.473188      6.406362      1.507260
  C      -6.141345      6.649029      2.735626
  C      -5.886958      3.001971      6.934194
  C      -6.787905      4.227229      7.132729
  C      -8.277681      3.900023      7.191800
  C      -8.899744      3.453008      5.889863
  N      -8.123976      3.331730      4.821287
  C      -8.708867      2.943112      3.654927
  N      -9.980530      2.672802      3.447346
  C     -10.806666      2.787953      4.532864
  C     -12.186634      2.506002      4.384510
  C     -13.032478      2.605111      5.470204
  C     -12.536178      2.990372      6.737387
  C     -11.195975      3.274749      6.908030
  C     -10.301984      3.179309      5.812405
  H      -3.640782      0.942504      2.775349
  H      -4.810121      1.976529      3.572585
  H      -4.966524      0.056158      5.399184
  H      -4.247549     -0.960203      4.135737
  H      -6.678607     -1.115986      3.900794
  H      -6.866944      0.643732      4.053968
  H      -6.418356      2.571669      0.087572
  H      -5.394968     -1.314536     -2.150877
  H      -5.017943     -3.687642     -1.457516
  H      -5.181158     -4.331526      0.939015
  H      -5.720752     -2.642862      2.658084
  H      -4.459066      6.046608      6.270789
  H      -2.908658      6.480077      7.018653
  H      -2.396932      8.039828      5.180357
  H      -3.964163      8.394085      5.923045
  H      -3.977883      8.591647      3.425695
  H      -3.499371      6.909320      3.276063
  H      -8.121296      7.377722      5.876586
  H      -9.235619      5.414876      1.881038
  H      -8.005260      4.942060     -0.244418
  H      -5.618113      5.615333     -0.482680
  H      -4.437684      6.727869      1.375902
  H      -5.998264      2.305377      7.788233
  H      -6.237114      2.473011      6.033696
  H      -6.498226      4.749942      8.058515
  H      -6.599209      4.918288      6.297556
  H      -8.469907      3.124916      7.955496
  H      -8.833040      4.786239      7.541436
  H      -8.027824      2.827994      2.806372
  H     -12.547255      2.210557      3.398224
  H     -14.095346      2.384659      5.354122
  H     -13.220341      3.063801      7.583949
  H     -10.824279      3.572930      7.888897
  N      -3.424773      3.993990      2.688819
  H      -2.534558      4.455375      2.484919
  H      -4.160925      4.643753      2.396754
  H      -3.496557      3.191758      2.061259
99
Coordinates from ORCA-job orca E -6204.764983216943
  N      -3.055946      1.768290      4.608688
  Mo     -3.706304      3.545606      4.959975
  N      -4.483114      3.355746      6.753705
  C      -3.653496      3.422407      7.944231
  C      -2.372311      2.607906      7.729759
  N      -1.701224      3.031534      6.495474
  C      -0.975677      1.983154      5.773242
  C      -1.962130      1.001770      5.148618
  C      -0.971684      4.297855      6.596646
  C      -1.343530      5.172732      5.387194
  N      -2.790712      5.247387      5.306568
  H      -1.453404      0.415800      4.360989
  H      -2.328427      0.273955      5.899667
  H      -0.412664      2.480050      4.968762
  H      -0.246922      1.452172      6.415011
  H      -0.886514      6.172838      5.475896
  H      -0.941545      4.711452      4.469159
  H      -1.280690      4.809461      7.518533
  H       0.119454      4.140953      6.654770
  H      -4.188872      3.018789      8.820452
  H      -3.393291      4.467528      8.190041
  H      -2.648422      1.550288      7.619874
  H      -1.701114      2.693758      8.604373
  C      -4.058721      1.183572      3.756827
  C      -4.813374     -0.036662      4.296197
  C      -6.208836     -0.158871      3.639553
  C      -6.163095      0.033454      2.145931
  N      -6.366014      1.276163      1.708790
  C      -6.262848      1.498075      0.372238
  N      -5.973078      0.622671     -0.567986
  C      -5.769282     -0.664082     -0.148866
  C      -5.460254     -1.659929     -1.106395
  C      -5.244265     -2.962333     -0.703979
  C      -5.327921     -3.319152      0.662372
  C      -5.628844     -2.369342      1.617363
  C      -5.857359     -1.022136      1.236101
  C      -3.409404      6.336224      6.061792
  C      -3.416778      7.674441      5.309136
  C      -4.067610      7.611635      3.928004
  C      -5.528003      7.234286      3.923706
  N      -6.233083      7.473410      5.022492
  C      -7.554747      7.150222      5.007053
  N      -8.232564      6.576287      4.035648
  C      -7.530568      6.309560      2.893354
  C      -8.192923      5.682493      1.809374
  C      -7.513252      5.426702      0.635456
  C      -6.157337      5.806111      0.493683
  C      -5.487684      6.418747      1.535832
  C      -6.147578      6.659098      2.768874
  C      -5.882660      2.994312      6.925178
  C      -6.787273      4.218040      7.116800
  C      -8.277266      3.891948      7.174977
  C      -8.898487      3.440091      5.874371
  N      -8.119771      3.299325      4.809944
  C      -8.704879      2.908021      3.644579
  N      -9.979469      2.652462      3.433659
  C     -10.808118      2.787414      4.514896
  C     -12.191202      2.522805      4.363110
  C     -13.040145      2.642511      5.444182
  C     -12.543993      3.031505      6.710364
  C     -11.200772      3.299079      6.884344
  C     -10.303593      3.182812      5.793370
  H      -3.644198      0.958958      2.752665
  H      -4.814852      1.985013      3.555987
  H      -4.947491      0.062406      5.383857
  H      -4.223153     -0.948247      4.118282
  H      -6.654369     -1.128676      3.900218
  H      -6.857905      0.630272      4.044469
  H      -6.438941      2.532766      0.057719
  H      -5.404476     -1.364162     -2.154532
  H      -5.009924     -3.728985     -1.444231
  H      -5.156977     -4.355350      0.958357
  H      -5.696523     -2.655794      2.667176
  H      -4.446988      6.053381      6.288354
  H      -2.891342      6.485041      7.027547
  H      -2.385943      8.042503      5.188542
  H      -3.947964      8.401111      5.940340
  H      -3.979081      8.601334      3.445422
  H      -3.502838      6.918495      3.289253
  H      -8.107142      7.389427      5.921747
  H      -9.243704      5.414951      1.935263
  H      -8.027122      4.942662     -0.196513
  H      -5.642561      5.625599     -0.451454
  H      -4.454492      6.744438      1.396885
  H      -5.992476      2.299942      7.781055
  H      -6.228476      2.461164      6.025568
  H      -6.498151      4.746334      8.039583
  H      -6.597616      4.904687      6.278256
  H      -8.471855      3.121428      7.942691
  H      -8.831403      4.781380      7.518197
  H      -8.022054      2.776788      2.799726
  H     -12.551496      2.223778      3.377716
  H     -14.105358      2.435661      5.325456
  H     -13.230455      3.121185      7.553468
  H     -10.829355      3.600198      7.864459
  N      -3.449429      4.022818      2.682369
  H      -2.572858      4.509225      2.475962
  H      -4.205405      4.651140      2.388891
  H      -3.497079      3.216945      2.056423
99
Coordinates from ORCA-job orca E -6204.765315797255
  N      -3.046137      1.776157      4.587195
  Mo     -3.701142      3.550722      4.953577
  N      -4.478589      3.353936      6.743807
  C      -3.651861      3.428788      7.936390
  C      -2.369026      2.614296      7.731552
  N      -1.694475      3.030028      6.496653
  C      -0.977790      1.974480      5.775938
  C      -1.973290      0.999991      5.156569
  C      -0.958646      4.292853      6.592682
  C      -1.332064      5.169217      5.384334
  N      -2.779303      5.247393      5.307404
  H      -1.465446      0.389797      4.386997
  H      -2.362148      0.293832      5.917225
  H      -0.415140      2.465375      4.967083
  H      -0.249908      1.440540      6.416593
  H      -0.872564      6.168321      5.472226
  H      -0.933523      4.707737      4.464944
  H      -1.259517      4.807022      7.516000
  H       0.132080      4.130746      6.644916
  H      -4.189755      3.032753      8.814473
  H      -3.391574      4.475851      8.172914
  H      -2.642954      1.555295      7.629977
  H      -1.701962      2.708371      8.608535
  C      -4.052935      1.186384      3.742436
  C      -4.797508     -0.037552      4.286825
  C      -6.193376     -0.172294      3.633756
  C      -6.152207      0.014142      2.139344
  N      -6.365670      1.253105      1.697547
  C      -6.270216      1.469786      0.359266
  N      -5.977963      0.592402     -0.578802
  C      -5.761628     -0.690500     -0.154435
  C      -5.447610     -1.688235     -1.108859
  C      -5.219154     -2.986801     -0.701592
  C      -5.295057     -3.338278      0.667008
  C      -5.600593     -2.386741      1.619070
  C      -5.841601     -1.043156      1.232683
  C      -3.393480      6.337690      6.064334
  C      -3.404372      7.674773      5.308804
  C      -4.072441      7.613340      3.935557
  C      -5.535087      7.244562      3.950879
  N      -6.223948      7.490142      5.058396
  C      -7.546190      7.168696      5.063769
  N      -8.237642      6.587595      4.106216
  C      -7.553266      6.316986      2.954300
  C      -8.230775      5.683657      1.883401
  C      -7.569440      5.424492      0.699937
  C      -6.217776      5.808801      0.534328
  C      -5.533217      6.426983      1.563248
  C      -6.173068      6.668198      2.806686
  C      -5.877937      2.988771      6.913521
  C      -6.784755      4.212240      7.096118
  C      -8.275273      3.888896      7.152340
  C      -8.894934      3.432681      5.852830
  N      -8.112531      3.270604      4.794139
  C      -8.697152      2.878115      3.629052
  N      -9.974487      2.640150      3.412936
  C     -10.806411      2.796576      4.488499
  C     -12.192499      2.552307      4.331220
  C     -13.045367      2.694261      5.406286
  C     -12.550292      3.085691      6.672064
  C     -11.204177      3.333668      6.851319
  C     -10.302987      3.194824      5.766407
  H      -3.641804      0.960916      2.737082
  H      -4.813180      1.983541      3.541694
  H      -4.930893      0.063432      5.374534
  H      -4.200725     -0.944926      4.109797
  H      -6.630456     -1.144474      3.899080
  H      -6.847504      0.613267      4.037656
  H      -6.456125      2.501531      0.040769
  H      -5.397683     -1.396954     -2.158745
  H      -4.980617     -3.754667     -1.439566
  H      -5.114399     -4.371660      0.966872
  H      -5.661798     -2.668637      2.670774
  H      -4.429944      6.056217      6.298028
  H      -2.868729      6.489297      7.025972
  H      -2.373198      8.037712      5.175907
  H      -3.925352      8.404613      5.944981
  H      -3.985354      8.602487      3.451283
  H      -3.519970      6.916634      3.290310
  H      -8.085635      7.413570      5.984602
  H      -9.278483      5.413608      2.026608
  H      -8.095269      4.934957     -0.120974
  H      -5.717513      5.626995     -0.418306
  H      -4.503793      6.755761      1.406270
  H      -5.987761      2.298466      7.772507
  H      -6.219858      2.450368      6.015619
  H      -6.497029      4.746332      8.015935
  H      -6.592493      4.893620      6.253992
  H      -8.473675      3.123304      7.923875
  H      -8.827519      4.782112      7.488446
  H      -8.012016      2.730085      2.788968
  H     -12.551738      2.250699      3.346373
  H     -14.112849      2.503313      5.283286
  H     -13.239704      3.192863      7.510640
  H     -10.833770      3.636676      7.831074
  N      -3.461463      4.036509      2.675618
  H      -2.597742      4.545263      2.468754
  H      -4.232818      4.642876      2.376612
  H      -3.484425      3.226050      2.053973
99
Coordinates from ORCA-job orca E -6204.765636791310
  N      -3.034611      1.790200      4.561133
  Mo     -3.696620      3.559579      4.950567
  N      -4.474000      3.348910      6.735961
  C      -3.649368      3.430552      7.930610
  C      -2.363590      2.618877      7.733002
  N      -1.686378      3.030652      6.498302
  C      -0.977874      1.970325      5.775560
  C      -1.980430      1.004795      5.154154
  C      -0.945533      4.290271      6.592468
  C      -1.322203      5.171897      5.388679
  N      -2.769527      5.251098      5.315227
  H      -1.472955      0.377356      4.398188
  H      -2.388890      0.314708      5.919396
  H      -0.413284      2.458523      4.966065
  H      -0.253013      1.430528      6.415112
  H      -0.862528      6.170665      5.480053
  H      -0.925517      4.714896      4.466214
  H      -1.237454      4.803678      7.519266
  H       0.144773      4.123479      6.637059
  H      -4.188706      3.039475      8.809799
  H      -3.390492      4.479367      8.159741
  H      -2.632979      1.558211      7.637566
  H      -1.700776      2.720889      8.612375
  C      -4.047072      1.197769      3.723603
  C      -4.779018     -0.032656      4.270010
  C      -6.174891     -0.181879      3.620667
  C      -6.138561     -0.004727      2.125030
  N      -6.360381      1.229707      1.675290
  C      -6.273101      1.437358      0.334649
  N      -5.981359      0.555022     -0.598856
  C      -5.754871     -0.723235     -0.165826
  C      -5.439917     -1.726037     -1.114578
  C      -5.201792     -3.020191     -0.699136
  C      -5.268493     -3.362530      0.672586
  C      -5.574677     -2.406084      1.619247
  C      -5.825573     -1.066630      1.224277
  C      -3.380598      6.342006      6.074261
  C      -3.396703      7.677461      5.315434
  C      -4.079281      7.613354      3.949660
  C      -5.542561      7.247658      3.982523
  N      -6.217933      7.496942      5.097462
  C      -7.539314      7.173728      5.120718
  N      -8.240858      6.585437      4.174544
  C      -7.571287      6.313593      3.014265
  C      -8.260823      5.675486      1.953553
  C      -7.614795      5.415727      0.762007
  C      -6.266968      5.805189      0.577177
  C      -5.570706      6.427596      1.595769
  C      -6.194467      6.668456      2.847561
  C      -5.873911      2.982179      6.904127
  C      -6.781360      4.207486      7.071389
  C      -8.273024      3.889769      7.128139
  C      -8.893544      3.423949      5.832340
  N      -8.109091      3.232054      4.779979
  C      -8.695329      2.833227      3.617577
  N      -9.976006      2.615514      3.398082
  C     -10.809591      2.802340      4.467273
  C     -12.199274      2.582046      4.306107
  C     -13.054634      2.755470      5.374336
  C     -12.558531      3.155237      6.637290
  C     -11.208878      3.380234      6.820215
  C     -10.305119      3.209462      5.742130
  H      -3.642191      0.976134      2.714755
  H      -4.813790      1.990633      3.527152
  H      -4.911816      0.067650      5.357969
  H      -4.173605     -0.934013      4.091898
  H      -6.603219     -1.156032      3.892753
  H      -6.834213      0.600647      4.022145
  H      -6.466882      2.465388      0.009192
  H      -5.396948     -1.442216     -2.166948
  H      -4.962447     -3.791728     -1.432832
  H      -5.080377     -4.392747      0.978917
  H      -5.628736     -2.680546      2.673517
  H      -4.415500      6.060626      6.315071
  H      -2.849453      6.497204      7.031799
  H      -2.365972      8.037427      5.171380
  H      -3.909911      8.409975      5.954738
  H      -3.996186      8.601154      3.461703
  H      -3.535574      6.913795      3.300182
  H      -8.068361      7.422405      6.046488
  H      -9.305530      5.402039      2.110640
  H      -8.150160      4.921610     -0.050077
  H      -5.778691      5.624021     -0.381705
  H      -4.544869      6.760204      1.424438
  H      -5.985042      2.299294      7.768624
  H      -6.211649      2.435657      6.009606
  H      -6.493701      4.752412      7.985048
  H      -6.585876      4.878440      6.221494
  H      -8.476419      3.133480      7.907706
  H      -8.821115      4.789620      7.452986
  H      -8.009121      2.662135      2.782684
  H     -12.559099      2.273139      3.323634
  H     -14.124858      2.583283      5.248313
  H     -13.249801      3.287192      7.470707
  H     -10.837905      3.689739      7.797794
  N      -3.475592      4.061041      2.669630
  H      -2.626204      4.594001      2.463923
  H      -4.264255      4.644754      2.367294
  H      -3.471725      3.247978      2.049124
99
Coordinates from ORCA-job orca E -6204.765918298154
  N      -3.022635      1.800448      4.535412
  Mo     -3.692486      3.564952      4.946834
  N      -4.468841      3.339054      6.728441
  C      -3.645665      3.426983      7.924900
  C      -2.356135      2.619927      7.732972
  N      -1.677984      3.029094      6.497707
  C      -0.976501      1.964047      5.773795
  C      -1.985552      1.007050      5.149993
  C      -0.933258      4.286555      6.590209
  C      -1.314756      5.174232      5.391761
  N      -2.762750      5.253025      5.322083
  H      -1.478444      0.364312      4.406790
  H      -2.411618      0.331622      5.918605
  H      -0.408231      2.448840      4.964830
  H      -0.256089      1.418718      6.413719
  H      -0.856188      6.173117      5.487532
  H      -0.919537      4.723277      4.465741
  H      -1.216188      4.798274      7.520908
  H       0.156726      4.115905      6.626379
  H      -4.185689      3.038716      8.804736
  H      -3.389636      4.477665      8.148292
  H      -2.619510      1.557257      7.643431
  H      -1.696321      2.730555      8.613561
  C      -4.042542      1.205458      3.706284
  C      -4.764002     -0.029994      4.255068
  C      -6.159967     -0.192723      3.609717
  C      -6.128743     -0.024181      2.112980
  N      -6.363487      1.204472      1.654701
  C      -6.285121      1.401686      0.311504
  N      -5.990621      0.514307     -0.616850
  C      -5.749213     -0.757838     -0.174458
  C      -5.429031     -1.765558     -1.116903
  C      -5.175958     -3.053748     -0.692264
  C      -5.232669     -3.385481      0.682916
  C      -5.543902     -2.424186      1.623419
  C      -5.809811     -1.090469      1.218802
  C      -3.371393      6.344970      6.082795
  C      -3.393533      7.679595      5.321895
  C      -4.090365      7.615237      3.963541
  C      -5.554169      7.252724      4.012009
  N      -6.217238      7.501494      5.134319
  C      -7.537467      7.175472      5.172654
  N      -8.247435      6.582226      4.235334
  C      -7.591283      6.314329      3.066683
  C      -8.290269      5.673889      2.013458
  C      -7.657885      5.419221      0.813812
  C      -6.315324      5.817562      0.612505
  C      -5.609907      6.441491      1.623559
  C      -6.218650      6.675205      2.883739
  C      -5.869562      2.971999      6.897132
  C      -6.776440      4.199301      7.049972
  C      -8.269168      3.887714      7.108352
  C      -8.891045      3.415672      5.815815
  N      -8.104762      3.195967      4.770179
  C      -8.692401      2.793767      3.609486
  N      -9.975951      2.597090      3.385678
  C     -10.811045      2.812654      4.448198
  C     -12.203917      2.617888      4.281752
  C     -13.061693      2.821247      5.342693
  C     -12.564855      3.226038      6.603768
  C     -11.212056      3.426527      6.791710
  C     -10.305863      3.225663      5.720806
  H      -3.645564      0.987260      2.693605
  H      -4.815563      1.994481      3.516401
  H      -4.895478      0.070151      5.343287
  H      -4.151403     -0.926193      4.075695
  H      -6.579486     -1.168932      3.887740
  H      -6.824535      0.586140      4.009611
  H      -6.490407      2.424808     -0.021811
  H      -5.393755     -1.490180     -2.172015
  H      -4.932228     -3.828922     -1.421142
  H      -5.032809     -4.411245      0.996678
  H      -5.589905     -2.690167      2.680510
  H      -4.404605      6.063223      6.330556
  H      -2.834050      6.503074      7.036383
  H      -2.363430      8.036934      5.167193
  H      -3.898893      8.414150      5.965076
  H      -4.010734      8.602156      3.473230
  H      -3.555297      6.913614      3.309118
  H      -8.056748      7.423522      6.103926
  H      -9.331289      5.394715      2.182186
  H      -8.200705      4.922705      0.008172
  H      -5.838190      5.642130     -0.352734
  H      -4.588531      6.780533      1.440540
  H      -5.981077      2.297613      7.767880
  H      -6.204792      2.416646      6.007291
  H      -6.488174      4.754449      7.957185
  H      -6.578102      4.859621      6.192694
  H      -8.477125      3.139257      7.894068
  H      -8.812661      4.793338      7.424203
  H      -8.005058      2.601505      2.780023
  H     -12.564134      2.304248      3.301019
  H     -14.134323      2.669171      5.212468
  H     -13.257950      3.381450      7.431681
  H     -10.840725      3.739952      7.767786
  N      -3.485893      4.079809      2.663771
  H      -2.653487      4.640446      2.461536
  H      -4.291544      4.635663      2.352853
  H      -3.448361      3.264784      2.047069
99
Coordinates from ORCA-job orca E -6204.766172309559
  N      -3.006744      1.814368      4.508481
  Mo     -3.686795      3.572026      4.945713
  N      -4.461569      3.325646      6.723528
  C      -3.639199      3.418104      7.921867
  C      -2.344718      2.618562      7.732866
  N      -1.666973      3.029209      6.497285
  C      -0.970304      1.961884      5.770510
  C      -1.983293      1.013837      5.138914
  C      -0.920499      4.285679      6.591019
  C      -1.307967      5.181646      5.400035
  N      -2.756938      5.257587      5.333523
  H      -1.475030      0.362010      4.404350
  H      -2.424021      0.347225      5.906779
  H      -0.395697      2.445739      4.965581
  H      -0.256518      1.409597      6.411858
  H      -0.852629      6.181284      5.503156
  H      -0.912610      4.740047      4.469504
  H      -1.195354      4.792875      7.526756
  H       0.169260      4.112647      6.618421
  H      -4.178907      3.028751      8.801219
  H      -3.388237      4.470469      8.142852
  H      -2.599985      1.553674      7.646735
  H      -1.687105      2.737046      8.614125
  C      -4.035448      1.217879      3.688147
  C      -4.745195     -0.023394      4.238307
  C      -6.141022     -0.199103      3.597046
  C      -6.115727     -0.042615      2.098683
  N      -6.361369      1.179854      1.629807
  C      -6.294998      1.364139      0.283807
  N      -6.003215      0.469174     -0.637915
  C      -5.749120     -0.796728     -0.184165
  C      -5.431004     -1.812061     -1.119045
  C      -5.166013     -3.094291     -0.683427
  C      -5.208270     -3.412674      0.695691
  C      -5.517539     -2.443864      1.628800
  C      -5.795593     -1.115838      1.212749
  C      -3.365482      6.349356      6.095935
  C      -3.395931      7.682527      5.332078
  C      -4.106663      7.614879      3.981025
  C      -5.570570      7.254254      4.044417
  N      -6.222117      7.505304      5.172848
  C      -7.541417      7.177616      5.225735
  N      -8.259927      6.579205      4.297763
  C      -7.615983      6.311318      3.122096
  C      -8.324659      5.667607      2.077275
  C      -7.705735      5.415251      0.870289
  C      -6.367148      5.818530      0.652714
  C      -5.651494      6.443507      1.656010
  C      -6.246587      6.675240      2.923398
  C      -5.863702      2.959788      6.894026
  C      -6.769127      4.189831      7.029404
  C      -8.263234      3.885382      7.087045
  C      -8.885194      3.409265      5.796351
  N      -8.096527      3.162948      4.758339
  C      -8.684462      2.758670      3.598307
  N      -9.970040      2.583474      3.368332
  C     -10.807147      2.827085      4.422944
  C     -12.202422      2.658227      4.249032
  C     -13.063252      2.891200      5.301215
  C     -12.567033      3.300391      6.561080
  C     -11.211865      3.475738      6.756199
  C     -10.302668      3.244810      5.694091
  H      -3.648948      1.005775      2.670217
  H      -4.816143      2.003556      3.508505
  H      -4.875113      0.075261      5.326912
  H      -4.124604     -0.913705      4.056760
  H      -6.553147     -1.176198      3.883490
  H      -6.809689      0.577941      3.993797
  H      -6.510490      2.382154     -0.059092
  H      -5.407070     -1.547240     -2.177259
  H      -4.923981     -3.875237     -1.406448
  H      -4.999096     -4.434054      1.018242
  H      -5.552672     -2.699565      2.688951
  H      -4.396504      6.065154      6.350152
  H      -2.822841      6.510892      7.045909
  H      -2.367165      8.038834      5.166268
  H      -3.894489      8.418931      5.978439
  H      -4.030723      8.599686      3.485856
  H      -3.579499      6.910029      3.323707
  H      -8.051651      7.428158      6.161306
  H      -9.362556      5.385007      2.257590
  H      -8.256528      4.916416      0.071468
  H      -5.901331      5.646161     -0.318677
  H      -4.633255      6.785463      1.461773
  H      -5.975625      2.296367      7.772763
  H      -6.196944      2.393266      6.010576
  H      -6.481491      4.756232      7.929771
  H      -6.566140      4.837898      6.164216
  H      -8.477157      3.143979      7.877637
  H      -8.802091      4.796545      7.394636
  H      -7.995366      2.546978      2.774857
  H     -12.562061      2.340434      3.269507
  H     -14.137750      2.759640      5.165117
  H     -13.262477      3.479238      7.382183
  H     -10.841186      3.792577      7.731348
  N      -3.491639      4.103215      2.659367
  H      -2.676910      4.691245      2.463401
  H      -4.313299      4.631215      2.340089
  H      -3.418679      3.288177      2.044276
99
Coordinates from ORCA-job orca E -6204.766399531032
  N      -2.991492      1.823060      4.482387
  Mo     -3.680965      3.574426      4.942241
  N      -4.454578      3.308755      6.717199
  C      -3.632520      3.405433      7.917197
  C      -2.332947      2.613581      7.730202
  N      -1.656285      3.026028      6.493672
  C      -0.963080      1.956274      5.765417
  C      -1.979053      1.016663      5.125668
  C      -0.908842      4.282280      6.588574
  C      -1.301986      5.186246      5.404747
  N      -2.752281      5.259010      5.340691
  H      -1.469298      0.358543      4.397916
  H      -2.431748      0.356051      5.891444
  H      -0.379828      2.438219      4.966080
  H      -0.257732      1.397135      6.409781
  H      -0.850398      6.186727      5.515678
  H      -0.905617      4.754446      4.470126
  H      -1.176680      4.784852      7.528938
  H       0.180769      4.107423      6.607870
  H      -4.171584      3.013580      8.795817
  H      -3.387348      4.459522      8.137203
  H      -2.579893      1.546449      7.647233
  H      -1.676342      2.739737      8.611123
  C      -4.030843      1.225689      3.672691
  C      -4.731631     -0.018933      4.226251
  C      -6.127226     -0.205662      3.588928
  C      -6.106744     -0.059586      2.089544
  N      -6.363746      1.156134      1.610753
  C      -6.306061      1.327603      0.262302
  N      -6.012461      0.426043     -0.652570
  C      -5.744694     -0.832710     -0.187995
  C      -5.422327     -1.854177     -1.115160
  C      -5.143014     -3.129254     -0.668721
  C      -5.175011     -3.434442      0.713977
  C      -5.488745     -2.459510      1.639445
  C      -5.781144     -1.138452      1.212082
  C      -3.361013      6.350977      6.104356
  C      -3.399854      7.683451      5.339566
  C      -4.125145      7.615125      3.996445
  C      -5.588735      7.255954      4.075243
  N      -6.227469      7.504668      5.211270
  C      -7.545882      7.175496      5.277997
  N      -8.274142      6.576947      4.357333
  C      -7.643474      6.313830      3.173539
  C      -8.363323      5.672686      2.134952
  C      -7.758395      5.426643      0.919916
  C      -6.423414      5.833814      0.687573
  C      -5.696762      6.455168      1.684962
  C      -6.277253      6.680193      2.960114
  C      -5.858678      2.946343      6.891475
  C      -6.761395      4.180090      7.006869
  C      -8.256769      3.882563      7.066673
  C      -8.880297      3.402955      5.778291
  N      -8.090212      3.131710      4.747594
  C      -8.678910      2.726011      3.587986
  N      -9.966055      2.570975      3.352427
  C     -10.804378      2.841445      4.399433
  C     -12.201545      2.698610      4.217912
  C     -13.064548      2.960832      5.261367
  C     -12.568480      3.373701      6.520161
  C     -11.211388      3.523685      6.722611
  C     -10.300090      3.263430      5.669153
  H      -3.657097      1.018420      2.649454
  H      -4.818542      2.008993      3.504748
  H      -4.859179      0.080078      5.315158
  H      -4.105169     -0.904999      4.043559
  H      -6.533237     -1.183185      3.882334
  H      -6.799376      0.569548      3.983043
  H      -6.531660      2.339919     -0.090082
  H      -5.406341     -1.599467     -2.176145
  H      -4.897288     -3.914954     -1.385708
  H      -4.954361     -4.450359      1.045344
  H      -5.515641     -2.705193      2.702355
  H      -4.389902      6.064126      6.364596
  H      -2.813379      6.514567      7.051099
  H      -2.372620      8.039023      5.162735
  H      -3.891073      8.420838      5.990534
  H      -4.053019      8.598524      3.497975
  H      -3.606371      6.908142      3.334680
  H      -8.045737      7.424066      6.219455
  H      -9.398385      5.387375      2.326029
  H      -8.317851      4.929634      0.126002
  H      -5.969619      5.667916     -0.290517
  H      -4.681516      6.799667      1.480829
  H      -5.970805      2.297365      7.780527
  H      -6.191312      2.365561      6.017190
  H      -6.473272      4.759783      7.898651
  H      -6.554856      4.813593      6.131747
  H      -8.474918      3.147302      7.861857
  H      -8.790992      4.798395      7.367942
  H      -7.988536      2.496618      2.770202
  H     -12.561048      2.377407      3.239453
  H     -14.140477      2.850222      5.119182
  H     -13.265681      3.575800      7.334377
  H     -10.841009      3.843668      7.696835
  N      -3.491019      4.117614      2.652604
  H      -2.693418      4.731563      2.464760
  H      -4.325700      4.617285      2.321179
  H      -3.381656      3.302873      2.041192
99
Coordinates from ORCA-job orca E -6204.766593040686
  N      -2.971687      1.835311      4.457719
  Mo     -3.671413      3.579158      4.939388
  N      -4.446154      3.292512      6.710890
  C      -3.625239      3.390104      7.913475
  C      -2.320425      2.607000      7.727098
  N      -1.644101      3.025087      6.491210
  C      -0.951050      1.955966      5.760510
  C      -1.966791      1.023921      5.108599
  C      -0.897843      4.282102      6.591088
  C      -1.294520      5.194580      5.414229
  N      -2.746061      5.263299      5.349411
  H      -1.453643      0.365207      4.383616
  H      -2.428333      0.363384      5.868884
  H      -0.357792      2.438749      4.969488
  H      -0.255135      1.389495      6.408366
  H      -0.847522      6.195988      5.534727
  H      -0.894785      4.773392      4.476118
  H      -1.162386      4.778290      7.535803
  H       0.191738      4.107171      6.605318
  H      -4.163889      2.992223      8.789551
  H      -3.386864      4.445124      8.136794
  H      -2.559024      1.537979      7.643426
  H      -1.665008      2.737872      8.608304
  C      -4.021306      1.237913      3.657860
  C      -4.712821     -0.010079      4.214544
  C      -6.107889     -0.206248      3.580099
  C      -6.092047     -0.074696      2.079063
  N      -6.355975      1.135242      1.589361
  C      -6.309324      1.293495      0.238850
  N      -6.021069      0.382936     -0.668536
  C      -5.745152     -0.870350     -0.192538
  C      -5.428687     -1.900767     -1.111652
  C      -5.141845     -3.170483     -0.653978
  C      -5.160098     -3.461384      0.732130
  C      -5.468463     -2.477656      1.649735
  C      -5.768477     -1.161760      1.210811
  C      -3.357674      6.353857      6.114155
  C      -3.404687      7.685213      5.347801
  C      -4.145302      7.614245      4.012774
  C      -5.609122      7.259963      4.108644
  N      -6.233764      7.516452      5.250698
  C      -7.552052      7.190194      5.334805
  N      -8.292330      6.587563      4.426771
  C      -7.676047      6.317426      3.236350
  C      -8.409872      5.672706      2.210135
  C      -7.821383      5.421663      0.987974
  C      -6.489096      5.825949      0.735774
  C      -5.747746      6.448459      1.721898
  C      -6.312050      6.680262      3.003817
  C      -5.852739      2.934333      6.887931
  C      -6.753020      4.171351      6.980579
  C      -8.249594      3.879490      7.039473
  C      -8.873025      3.398935      5.751660
  N      -8.081224      3.107073      4.728003
  C      -8.669632      2.702137      3.567694
  N      -9.957337      2.565546      3.325696
  C     -10.797209      2.858239      4.365232
  C     -12.195242      2.738492      4.175334
  C     -13.060565      3.025218      5.210277
  C     -12.565734      3.439958      6.468835
  C     -11.207728      3.567243      6.679370
  C     -10.294221      3.282018      5.634574
  H      -3.660830      1.036475      2.629041
  H      -4.815632      2.019578      3.502558
  H      -4.838861      0.088745      5.303641
  H      -4.080036     -0.891800      4.031555
  H      -6.510833     -1.182328      3.883526
  H      -6.781667      0.570518      3.968566
  H      -6.541506      2.301582     -0.122849
  H      -5.423604     -1.657026     -2.175291
  H      -4.900892     -3.963129     -1.364611
  H      -4.933476     -4.473304      1.072481
  H      -5.485255     -2.712852      2.715180
  H      -4.384512      6.063020      6.378311
  H      -2.807373      6.519330      7.058997
  H      -2.379277      8.039986      5.159022
  H      -3.888225      8.424089      6.002991
  H      -4.074648      8.594384      3.507808
  H      -3.636892      6.901668      3.348962
  H      -8.040342      7.445777      6.280521
  H      -9.442234      5.389141      2.416147
  H      -8.391867      4.922216      0.203577
  H      -6.049719      5.657033     -0.248838
  H      -4.734477      6.789769      1.503799
  H      -5.966174      2.301466      7.788024
  H      -6.184127      2.337916      6.023748
  H      -6.466682      4.764548      7.863966
  H      -6.541578      4.789721      6.095851
  H      -8.471992      3.147905      7.836780
  H      -8.780583      4.798371      7.336826
  H      -7.977712      2.458762      2.755228
  H     -12.553824      2.415449      3.197225
  H     -14.137239      2.933182      5.061512
  H     -13.264813      3.661795      7.276169
  H     -10.838455      3.888969      7.653369
  N      -3.479934      4.134520      2.646896
  H      -2.697742      4.770617      2.470018
  H      -4.323951      4.609670      2.304086
  H      -3.336606      3.322395      2.038313
99
Coordinates from ORCA-job orca E -6204.766777669422
  N      -2.954046      1.843988      4.433162
  Mo     -3.662337      3.580500      4.934128
  N      -4.438777      3.273777      6.702573
  C      -3.618119      3.369913      7.907137
  C      -2.308526      2.595207      7.718959
  N      -1.633190      3.020934      6.483896
  C      -0.938684      1.953740      5.750288
  C      -1.952908      1.028524      5.086199
  C      -0.889026      4.279217      6.590194
  C      -1.288407      5.200240      5.420399
  N      -2.741120      5.265140      5.354274
  H      -1.436334      0.373175      4.360644
  H      -2.419053      0.363890      5.839753
  H      -0.335073      2.438044      4.968780
  H      -0.252307      1.380010      6.401398
  H      -0.846053      6.202402      5.551002
  H      -0.884902      4.789930      4.479171
  H      -1.152156      4.768392      7.538947
  H       0.200693      4.104979      6.600750
  H      -4.155792      2.964019      8.780201
  H      -3.386445      4.425395      8.136322
  H      -2.539565      1.524655      7.632436
  H      -1.653093      2.728452      8.599807
  C      -4.015816      1.248263      3.645318
  C      -4.699909     -0.001255      4.207313
  C      -6.094897     -0.206327      3.576980
  C      -6.083335     -0.088581      2.074912
  N      -6.354030      1.114856      1.574180
  C      -6.314598      1.259087      0.221871
  N      -6.027439      0.339980     -0.677199
  C      -5.743341     -0.906726     -0.189497
  C      -5.426916     -1.945258     -1.099625
  C      -5.131103     -3.208290     -0.630066
  C      -5.140270     -3.484228      0.759207
  C      -5.449120     -2.492413      1.668023
  C      -5.758118     -1.183122      1.216794
  C      -3.355403      6.353932      6.120794
  C      -3.409417      7.685452      5.355954
  C      -4.165084      7.614680      4.029450
  C      -5.628724      7.265076      4.142607
  N      -6.238623      7.524836      5.291728
  C      -7.556925      7.202511      5.391517
  N      -8.310345      6.602261      4.492841
  C      -7.709059      6.330152      3.295120
  C      -8.458480      5.690024      2.277732
  C      -7.885737      5.437195      1.048699
  C      -6.554026      5.834202      0.780725
  C      -5.797643      6.451806      1.758411
  C      -6.346281      6.686620      3.046478
  C      -5.848575      2.923415      6.882904
  C      -6.744317      4.165068      6.950002
  C      -8.241966      3.878831      7.011375
  C      -8.866284      3.395955      5.724893
  N      -8.073052      3.084764      4.708242
  C      -8.660863      2.677831      3.547654
  N      -9.948724      2.555409      3.300187
  C     -10.790107      2.869165      4.332264
  C     -12.188549      2.768770      4.134357
  C     -13.055946      3.079229      5.160635
  C     -12.562542      3.498436      6.418427
  C     -11.204042      3.606662      6.636720
  C     -10.288540      3.297780      5.600601
  H      -3.671378      1.051963      2.610602
  H      -4.815581      2.029769      3.504608
  H      -4.822913      0.099208      5.296594
  H      -4.062570     -0.879962      4.024631
  H      -6.495234     -1.180564      3.889753
  H      -6.769806      0.571897      3.960229
  H      -6.552468      2.262230     -0.149552
  H      -5.428906     -1.712662     -2.165727
  H      -4.889908     -4.007345     -1.333590
  H      -4.906285     -4.490968      1.109178
  H      -5.458751     -2.716613      2.735878
  H      -4.380541      6.059154      6.387783
  H      -2.803003      6.518880      7.064494
  H      -2.385772      8.039454      5.156173
  H      -3.884930      8.424796      6.016600
  H      -4.095864      8.592436      3.519833
  H      -3.667285      6.897646      3.362250
  H      -8.032738      7.460378      6.342828
  H      -9.489830      5.411647      2.495961
  H      -8.467970      4.940946      0.270893
  H      -6.128219      5.664773     -0.209787
  H      -4.785167      6.788009      1.529162
  H      -5.964659      2.309766      7.795533
  H      -6.179992      2.309484      6.031160
  H      -6.457961      4.773831      7.822740
  H      -6.529280      4.765552      6.053555
  H      -8.466706      3.150569      7.811372
  H      -8.769946      4.800119      7.305806
  H      -7.967263      2.421965      2.740418
  H     -12.546125      2.441990      3.157000
  H     -14.132981      3.003074      5.005493
  H     -13.263397      3.739281      7.218694
  H     -10.836031      3.932232      7.610018
  N      -3.463331      4.144962      2.638672
  H      -2.691615      4.796936      2.473982
  H      -4.312472      4.602031      2.284391
  H      -3.292798      3.334780      2.032546
99
Coordinates from ORCA-job orca E -6204.766952512818
  N      -2.936135      1.856432      4.408741
  Mo     -3.653700      3.584465      4.928013
  N      -4.433312      3.254433      6.692774
  C      -3.613408      3.343036      7.899752
  C      -2.299063      2.578502      7.706243
  N      -1.624928      3.018384      6.474586
  C      -0.924813      1.958237      5.735246
  C      -1.934323      1.037869      5.057166
  C      -0.885929      4.279041      6.593292
  C      -1.286349      5.209963      5.431412
  N      -2.740006      5.270238      5.361228
  H      -1.413183      0.391647      4.326548
  H      -2.400279      0.363201      5.801631
  H      -0.312890      2.448504      4.964575
  H      -0.245867      1.377796      6.387713
  H      -0.849343      6.212752      5.574156
  H      -0.877407      4.811670      4.487356
  H      -1.152246      4.758152      7.546224
  H       0.204248      4.108137      6.603606
  H      -4.149655      2.923752      8.767294
  H      -3.389465      4.397574      8.141380
  H      -2.522712      1.507075      7.610733
  H      -1.643597      2.709210      8.587499
  C      -4.009175      1.263858      3.631858
  C      -4.686331      0.012661      4.198225
  C      -6.081473     -0.200515      3.571958
  C      -6.073748     -0.101626      2.068291
  N      -6.348032      1.094946      1.552777
  C      -6.315434      1.221412      0.198554
  N      -6.032901      0.289985     -0.689279
  C      -5.745271     -0.950229     -0.186339
  C      -5.434553     -2.001105     -1.084356
  C      -5.135278     -3.257791     -0.599226
  C      -5.135211     -3.514697      0.793693
  C      -5.438895     -2.510556      1.690805
  C      -5.751429     -1.207481      1.223599
  C      -3.358735      6.355509      6.130298
  C      -3.414125      7.688742      5.369373
  C      -4.178374      7.620396      4.047728
  C      -5.643052      7.279270      4.171427
  N      -6.243176      7.546824      5.323955
  C      -7.562187      7.231477      5.434405
  N      -8.325452      6.632910      4.543266
  C      -7.734134      6.353712      3.341780
  C      -8.495060      5.715639      2.332072
  C      -7.933006      5.455645      1.099677
  C      -6.600466      5.841617      0.820977
  C      -5.832541      6.456139      1.791684
  C      -6.371028      6.700222      3.082369
  C      -5.845974      2.910764      6.874715
  C      -6.738564      4.154765      6.924077
  C      -8.236684      3.870019      6.987900
  C      -8.862685      3.392335      5.700587
  N      -8.069212      3.074048      4.686297
  C      -8.657180      2.671530      3.523959
  N      -9.944996      2.558500      3.273820
  C     -10.786900      2.880955      4.303116
  C     -12.185555      2.793771      4.100563
  C     -13.053756      3.115129      5.123176
  C     -12.560645      3.531778      6.381809
  C     -11.201823      3.626794      6.604636
  C     -10.285611      3.307066      5.572233
  H      -3.680750      1.074013      2.591108
  H      -4.813275      2.046031      3.507411
  H      -4.806281      0.114510      5.287654
  H      -4.044881     -0.863392      4.016045
  H      -6.481213     -1.171234      3.897029
  H      -6.756218      0.581877      3.947140
  H      -6.555924      2.219670     -0.185187
  H      -5.443908     -1.782695     -2.153416
  H      -4.898663     -4.066578     -1.293178
  H      -4.898337     -4.516578      1.156115
  H      -5.441685     -2.720840      2.761502
  H      -4.383482      6.057340      6.395040
  H      -2.808331      6.516590      7.075778
  H      -2.391016      8.040943      5.163987
  H      -3.883556      8.428335      6.033996
  H      -4.105666      8.595316      3.533545
  H      -3.689784      6.897210      3.380211
  H      -8.029154      7.494943      6.388614
  H      -9.526199      5.444834      2.558969
  H      -8.523872      4.960932      0.327376
  H      -6.183977      5.666641     -0.172663
  H      -4.819432      6.784275      1.554768
  H      -5.964254      2.311824      7.796459
  H      -6.177912      2.283755      6.032972
  H      -6.452509      4.773763      7.789155
  H      -6.522321      4.743158      6.020037
  H      -8.460224      3.138229      7.784856
  H      -8.764028      4.789585      7.287607
  H      -7.962740      2.411059      2.718700
  H     -12.543032      2.468923      3.122587
  H     -14.131051      3.049933      4.964318
  H     -13.262307      3.781488      7.178891
  H     -10.834148      3.950606      7.578571
  N      -3.439438      4.160057      2.632165
  H      -2.677686      4.826831      2.483196
  H      -4.290885      4.601660      2.265273
  H      -3.241887      3.354715      2.028865
99
Coordinates from ORCA-job orca E -6204.767135151313
  N      -2.918051      1.869752      4.382193
  Mo     -3.643872      3.587876      4.919889
  N      -4.427335      3.233745      6.680151
  C      -3.607538      3.310283      7.888851
  C      -2.289028      2.555767      7.686509
  N      -1.616417      3.013988      6.459833
  C      -0.908588      1.964657      5.711758
  C      -1.911971      1.048213      5.019402
  C      -0.884237      4.277439      6.594489
  C      -1.284769      5.219123      5.441289
  N      -2.738982      5.274622      5.367103
  H      -1.386525      0.415786      4.279775
  H      -2.373411      0.359065      5.753256
  H      -0.291133      2.464404      4.952287
  H      -0.234187      1.377579      6.362730
  H      -0.852951      6.222159      5.597117
  H      -0.870523      4.833418      4.494400
  H      -1.156674      4.744517      7.551585
  H       0.206689      4.111508      6.606757
  H      -4.141737      2.874925      8.749776
  H      -3.390753      4.362732      8.146871
  H      -2.506459      1.484229      7.577858
  H      -1.632979      2.679648      8.568327
  C      -4.003606      1.282330      3.618042
  C      -4.673532      0.029820      4.189852
  C      -6.069700     -0.191358      3.570094
  C      -6.066711     -0.113600      2.065339
  N      -6.342537      1.075302      1.533312
  C      -6.314686      1.181388      0.177362
  N      -6.036396      0.236371     -0.697146
  C      -5.747704     -0.996332     -0.177095
  C      -5.442058     -2.060754     -1.060645
  C      -5.141383     -3.310098     -0.557799
  C      -5.134897     -3.545571      0.838696
  C      -5.433807     -2.527798      1.721897
  C      -5.747783     -1.231961      1.236451
  C      -3.362878      6.352962      6.142325
  C      -3.424014      7.690053      5.389876
  C      -4.197900      7.625819      4.073692
  C      -5.662301      7.287219      4.208841
  N      -6.252226      7.555077      5.366683
  C      -7.571063      7.243844      5.487132
  N      -8.344539      6.652707      4.599816
  C      -7.763819      6.373109      3.393303
  C      -8.536762      5.742795      2.388068
  C      -7.984759      5.479667      1.152029
  C      -6.650304      5.853250      0.865740
  C      -5.871116      6.460804      1.831936
  C      -6.400037      6.710330      3.125283
  C      -5.844106      2.902468      6.861258
  C      -6.728721      4.152391      6.891662
  C      -8.227856      3.873355      6.958716
  C      -8.854706      3.397499      5.670952
  N      -8.060028      3.068028      4.661428
  C      -8.646715      2.663175      3.498626
  N      -9.934068      2.557121      3.244932
  C     -10.777637      2.892260      4.268856
  C     -12.176191      2.813732      4.060980
  C     -13.046163      3.148211      5.077980
  C     -12.554695      3.569112      6.336034
  C     -11.195850      3.655558      6.564035
  C     -10.277906      3.322746      5.537362
  H      -3.693986      1.099838      2.570603
  H      -4.810783      2.066189      3.512103
  H      -4.788534      0.133679      5.279570
  H      -4.028889     -0.843951      4.007527
  H      -6.469153     -1.157470      3.909083
  H      -6.743281      0.596133      3.936504
  H      -6.555637      2.173912     -0.220404
  H      -5.456429     -1.858174     -2.132697
  H      -4.908760     -4.129612     -1.240353
  H      -4.896732     -4.541802      1.215314
  H      -5.431635     -2.722290      2.795484
  H      -4.386407      6.048394      6.404999
  H      -2.813917      6.507969      7.089640
  H      -2.402688      8.044553      5.179294
  H      -3.889278      8.425991      6.061251
  H      -4.125874      8.600044      3.558385
  H      -3.716558      6.900643      3.402869
  H      -8.028111      7.505432      6.446733
  H      -9.568726      5.480387      2.621639
  H      -8.584332      4.990555      0.382746
  H      -6.242142      5.674925     -0.130826
  H      -4.856605      6.780675      1.589319
  H      -5.969126      2.318269      7.791357
  H      -6.177931      2.264613      6.028569
  H      -6.440518      4.781872      7.748128
  H      -6.510282      4.727118      5.979229
  H      -8.452132      3.140122      7.754611
  H      -8.752792      4.793025      7.261402
  H      -7.950695      2.393789      2.697630
  H     -12.532547      2.485264      3.083631
  H     -14.123553      3.090060      4.914979
  H     -13.257975      3.829082      7.128421
  H     -10.829595      3.982412      7.537625
  N      -3.411628      4.176146      2.624567
  H      -2.656029      4.853679      2.492545
  H      -4.263643      4.608527      2.247966
  H      -3.193550      3.375750      2.021569
99
Coordinates from ORCA-job orca E -6204.767320538375
  N      -2.900358      1.883946      4.356982
  Mo     -3.634421      3.592542      4.909519
  N      -4.422736      3.214394      6.665082
  C      -3.604092      3.275777      7.875418
  C      -2.281665      2.531909      7.663172
  N      -1.610373      3.010675      6.443272
  C      -0.892667      1.974736      5.686181
  C      -1.888977      1.060229      4.981437
  C      -0.886440      4.277029      6.596706
  C      -1.285214      5.228756      5.451449
  N      -2.739684      5.280295      5.372080
  H      -1.359344      0.442255      4.232593
  H      -2.344032      0.356375      5.705120
  H      -0.273108      2.485811      4.936453
  H      -0.219365      1.383223      6.333945
  H      -0.857787      6.231620      5.619541
  H      -0.865655      4.854142      4.502537
  H      -1.168660      4.731306      7.556991
  H       0.205386      4.117343      6.614333
  H      -4.136287      2.821829      8.728072
  H      -3.395189      4.325009      8.153248
  H      -2.493502      1.460984      7.538738
  H      -1.625556      2.646346      8.546098
  C      -3.997152      1.301698      3.605151
  C      -4.661453      0.049001      4.182748
  C      -6.059394     -0.177691      3.570302
  C      -6.060510     -0.122836      2.064554
  N      -6.334782      1.058318      1.514475
  C      -6.310399      1.142388      0.157055
  N      -6.038130      0.182248     -0.702586
  C      -5.752184     -1.043045     -0.163943
  C      -5.454231     -2.122805     -1.031253
  C      -5.156207     -3.364994     -0.509153
  C      -5.144817     -3.577464      0.890765
  C      -5.436407     -2.544292      1.758417
  C      -5.747687     -1.255398      1.253137
  C      -3.368764      6.351396      6.153366
  C      -3.429841      7.693458      5.410711
  C      -4.208754      7.636378      4.097267
  C      -5.674051      7.304644      4.239425
  N      -6.256836      7.577528      5.399821
  C      -7.576769      7.274462      5.527052
  N      -8.358907      6.690191      4.643065
  C      -7.785521      6.405294      3.434126
  C      -8.568581      5.781868      2.432754
  C      -8.023390      5.510632      1.195537
  C      -6.685893      5.868585      0.904632
  C      -5.897482      6.470575      1.866675
  C      -6.419756      6.729740      3.160538
  C      -5.841876      2.890022      6.843642
  C      -6.723534      4.141775      6.864998
  C      -8.222857      3.861985      6.933566
  C      -8.850758      3.394840      5.643063
  N      -8.055710      3.067201      4.633200
  C      -8.641996      2.668007      3.468053
  N      -9.929025      2.566016      3.213004
  C     -10.773379      2.900996      4.236744
  C     -12.171740      2.828598      4.026232
  C     -13.042274      3.164123      5.042768
  C     -12.551341      3.579673      6.302687
  C     -11.192570      3.659980      6.533250
  C     -10.274092      3.326150      5.507158
  H      -3.705091      1.125511      2.552042
  H      -4.805768      2.087955      3.516679
  H      -4.770737      0.155575      5.272778
  H      -4.015493     -0.823815      4.000170
  H      -6.460380     -1.137881      3.924192
  H      -6.730264      0.616566      3.927063
  H      -6.548852      2.129242     -0.255945
  H      -5.472430     -1.937284     -2.106232
  H      -4.929653     -4.196572     -1.178996
  H      -4.908649     -4.568239      1.282777
  H      -5.430590     -2.721739      2.834795
  H      -4.392410      6.042300      6.410333
  H      -2.823894      6.497911      7.104295
  H      -2.408841      8.048163      5.198986
  H      -3.891712      8.426163      6.087809
  H      -4.133210      8.610135      3.581917
  H      -3.734313      6.908278      3.424580
  H      -8.026636      7.538536      6.489476
  H      -9.602266      5.530658      2.670841
  H      -8.629966      5.025927      0.428998
  H      -6.283211      5.682730     -0.092730
  H      -4.880786      6.780005      1.620102
  H      -5.971373      2.313628      7.777848
  H      -6.176237      2.246248      6.015714
  H      -6.435214      4.775876      7.717715
  H      -6.505706      4.711204      5.949156
  H      -8.444189      3.120660      7.722878
  H      -8.748859      4.777387      7.246317
  H      -7.945228      2.399536      2.667136
  H     -12.527815      2.504446      3.047388
  H     -14.119602      3.111079      4.877702
  H     -13.255239      3.840742      7.094325
  H     -10.826742      3.982978      7.508265
  N      -3.379911      4.193684      2.617923
  H      -2.629984      4.880677      2.504300
  H      -4.230278      4.619027      2.231016
  H      -3.142738      3.399141      2.015532
99
Coordinates from ORCA-job orca E -6204.767484457952
  N      -2.880496      1.898150      4.330061
  Mo     -3.622582      3.597409      4.896342
  N      -4.416807      3.198112      6.646294
  C      -3.600483      3.245938      7.858627
  C      -2.274507      2.511160      7.639264
  N      -1.602852      3.007660      6.426366
  C      -0.876491      1.983835      5.661557
  C      -1.866950      1.071451      4.946006
  C      -0.886136      4.276157      6.596975
  C      -1.282163      5.236610      5.458212
  N      -2.736680      5.285106      5.373847
  H      -1.333718      0.464343      4.190814
  H      -2.318599      0.356839      5.661144
  H      -0.256047      2.505101      4.919815
  H      -0.203226      1.388649      6.305837
  H      -0.858111      6.239009      5.636999
  H      -0.857864      4.871314      4.507827
  H      -1.178144      4.719120      7.559510
  H       0.206406      4.121961      6.620776
  H      -4.131802      2.776308      8.703455
  H      -3.398323      4.291978      8.153755
  H      -2.481640      1.441052      7.500920
  H      -1.619633      2.617023      8.524075
  C      -3.987889      1.319749      3.590810
  C      -4.645722      0.066917      4.174977
  C      -6.045703     -0.165594      3.570591
  C      -6.051659     -0.133060      2.064357
  N      -6.323495      1.040727      1.497503
  C      -6.302538      1.104252      0.139029
  N      -6.036503      0.130138     -0.706567
  C      -5.753905     -1.088078     -0.150579
  C      -5.463452     -2.182024     -1.002379
  C      -5.168861     -3.417383     -0.462342
  C      -5.153547     -3.608468      0.940486
  C      -5.437758     -2.561086      1.793327
  C      -5.745467     -1.278783      1.269527
  C      -3.370517      6.347530      6.163086
  C      -3.436452      7.694423      5.430605
  C      -4.226913      7.642866      4.123781
  C      -5.691938      7.316134      4.280780
  N      -6.262381      7.595567      5.445825
  C      -7.582221      7.298626      5.587116
  N      -8.376092      6.717396      4.711927
  C      -7.815409      6.425023      3.498704
  C      -8.611748      5.803520      2.506946
  C      -8.078718      5.521245      1.266915
  C      -6.740486      5.865767      0.963781
  C      -5.939742      6.467058      1.915835
  C      -6.449741      6.738853      3.211895
  C      -5.838811      2.882248      6.819935
  C      -6.715164      4.137726      6.829843
  C      -8.215342      3.861613      6.897818
  C      -8.842813      3.399667      5.605086
  N      -8.046633      3.066640      4.598030
  C      -8.631570      2.669792      3.431184
  N      -9.918126      2.574844      3.172508
  C     -10.763941      2.916287      4.193024
  C     -12.161937      2.851863      3.978002
  C     -13.033665      3.194004      4.991406
  C     -12.544191      3.608349      6.252301
  C     -11.185710      3.680925      6.487196
  C     -10.266025      3.340086      5.464516
  H      -3.712335      1.148564      2.532814
  H      -4.797583      2.107770      3.517287
  H      -4.749222      0.176606      5.265277
  H      -3.998250     -0.804750      3.992138
  H      -6.447490     -1.119858      3.939381
  H      -6.713914      0.635029      3.918075
  H      -6.538076      2.085763     -0.287960
  H      -5.484652     -2.012499     -2.079902
  H      -4.948246     -4.260048     -1.120100
  H      -4.920148     -4.594098      1.346828
  H      -5.429084     -2.722548      2.872142
  H      -4.393105      6.032326      6.417180
  H      -2.827192      6.486709      7.115954
  H      -2.417271      8.050825      5.212945
  H      -3.893101      8.422992      6.115624
  H      -4.152012      8.616348      3.608072
  H      -3.761659      6.912670      3.446887
  H      -8.020744      7.566558      6.553824
  H      -9.645314      5.561754      2.755308
  H      -8.694777      5.036859      0.507868
  H      -6.347408      5.669833     -0.035554
  H      -4.922679      6.767353      1.659369
  H      -5.975637      2.313618      7.757759
  H      -6.173116      2.233696      5.995611
  H      -6.426431      4.776949      7.678493
  H      -6.495002      4.700247      5.910173
  H      -8.437711      3.116146      7.683275
  H      -8.740113      4.775745      7.215579
  H      -7.933671      2.396236      2.632923
  H     -12.516992      2.528518      2.998462
  H     -14.110820      3.147084      4.822917
  H     -13.249143      3.874799      7.041196
  H     -10.821076      4.003038      7.462995
  N      -3.349615      4.211564      2.608870
  H      -2.607814      4.909996      2.512019
  H      -4.199883      4.627318      2.212293
  H      -3.092121      3.423461      2.007836
99
Coordinates from ORCA-job orca E -6204.767638318542
  N      -2.863954      1.911436      4.304681
  Mo     -3.612271      3.602584      4.882436
  N      -4.412777      3.184212      6.626694
  C      -3.599116      3.218442      7.840729
  C      -2.270195      2.491517      7.614842
  N      -1.597553      3.004359      6.409252
  C      -0.863269      1.991939      5.637612
  C      -1.848497      1.081728      4.912396
  C      -0.886999      4.274070      6.596501
  C      -1.278987      5.242336      5.463448
  N      -2.733348      5.289608      5.374277
  H      -1.312170      0.484845      4.151313
  H      -2.296885      0.357362      5.619647
  H      -0.242686      2.522740      4.902837
  H      -0.189249      1.393708      6.278174
  H      -0.856923      6.243822      5.651595
  H      -0.850676      4.884658      4.512063
  H      -1.189185      4.706779      7.560443
  H       0.206087      4.124362      6.627480
  H      -4.129944      2.734001      8.677721
  H      -3.403056      4.260993      8.152625
  H      -2.473790      1.422606      7.462985
  H      -1.616884      2.588290      8.501716
  C      -3.981445      1.337521      3.577924
  C      -4.634805      0.085765      4.168883
  C      -6.037075     -0.150594      3.572393
  C      -6.046600     -0.140628      2.065953
  N      -6.315265      1.025198      1.481465
  C      -6.296714      1.067001      0.122248
  N      -6.036202      0.078601     -0.708136
  C      -5.757503     -1.131787     -0.133922
  C      -5.473799     -2.240203     -0.968900
  C      -5.183503     -3.468092     -0.410054
  C      -5.165940     -3.636879      0.995360
  C      -5.443525     -2.574993      1.832142
  C      -5.746744     -1.299869      1.288878
  C      -3.370260      6.344202      6.171305
  C      -3.436969      7.696740      5.450132
  C      -4.236167      7.654511      4.148390
  C      -5.701415      7.334015      4.316255
  N      -6.261949      7.617334      5.485207
  C      -7.582403      7.328159      5.636147
  N      -8.386797      6.754286      4.765757
  C      -7.836350      6.457607      3.549012
  C      -8.644602      5.843715      2.562361
  C      -8.120712      5.553097      1.320542
  C      -6.780028      5.881942      1.010581
  C      -5.968718      6.477853      1.956698
  C      -6.469452      6.758978      3.254007
  C      -5.836505      2.873277      6.794983
  C      -6.711053      4.129861      6.799007
  C      -8.211229      3.852552      6.867440
  C      -8.838411      3.396130      5.572529
  N      -8.041083      3.064070      4.566121
  C      -8.624689      2.670705      3.397327
  N      -9.910842      2.578364      3.136526
  C     -10.758129      2.919665      4.156091
  C     -12.155802      2.858916      3.938154
  C     -13.028701      3.201502      4.950527
  C     -12.540678      3.612458      6.213036
  C     -11.182479      3.681313      6.450807
  C     -10.261573      3.339990      5.429323
  H      -3.721613      1.170264      2.515815
  H      -4.790961      2.128105      3.517887
  H      -4.732408      0.199408      5.259382
  H      -3.987403     -0.785970      3.986015
  H      -6.440886     -1.098134      3.955931
  H      -6.701845      0.657068      3.910258
  H      -6.529091      2.042521     -0.319705
  H      -5.496790     -2.087476     -2.048751
  H      -4.968249     -4.322021     -1.054748
  H      -4.936093     -4.616917      1.416757
  H      -5.433356     -2.719700      2.913167
  H      -4.392714      6.025016      6.421207
  H      -2.829041      6.474462      7.126579
  H      -2.418459      8.053021      5.229174
  H      -3.888288      8.421246      6.142927
  H      -4.160109      8.629077      3.635117
  H      -3.779213      6.923748      3.466358
  H      -8.011748      7.597736      6.606493
  H      -9.679494      5.613429      2.816718
  H      -8.745134      5.072868      0.565763
  H      -6.393574      5.677846      0.010376
  H      -4.949981      6.767553      1.694356
  H      -5.978760      2.308516      7.734255
  H      -6.169813      2.222259      5.972044
  H      -6.422557      4.771930      7.645492
  H      -6.491293      4.689347      5.877236
  H      -8.431380      3.100946      7.647932
  H      -8.737253      4.763323      7.192072
  H      -7.925675      2.397520      2.599787
  H     -12.509811      2.538304      2.957350
  H     -14.105662      3.157571      4.779778
  H     -13.246635      3.879510      7.000824
  H     -10.818998      4.001134      7.427776
  N      -3.320290      4.229069      2.599947
  H      -2.586011      4.937433      2.519393
  H      -4.169409      4.636731      2.193973
  H      -3.044608      3.446792      2.000228
99
Coordinates from ORCA-job orca E -6204.767792991848
  N      -2.849756      1.922363      4.279572
  Mo     -3.603571      3.606261      4.866504
  N      -4.409949      3.171325      6.605123
  C      -3.599202      3.192354      7.820514
  C      -2.268031      2.471995      7.588589
  N      -1.594119      3.000036      6.390671
  C      -0.852309      1.999001      5.612322
  C      -1.832774      1.089795      4.879724
  C      -0.889364      4.270531      6.593774
  C      -1.276949      5.245195      5.465354
  N      -2.730949      5.292095      5.372171
  H      -1.294190      0.501757      4.113507
  H      -2.278150      0.357445      5.580517
  H      -0.234485      2.539404      4.882136
  H      -0.174788      1.399430      6.247979
  H      -0.855703      6.245626      5.660688
  H      -0.845844      4.892933      4.513324
  H      -1.202273      4.694172      7.558255
  H       0.204108      4.125155      6.632911
  H      -4.129767      2.694865      8.650181
  H      -3.407968      4.231288      8.147636
  H      -2.469325      1.404658      7.423511
  H      -1.616789      2.559098      8.477850
  C      -3.976508      1.352531      3.565389
  C      -4.625752      0.102191      4.163428
  C      -6.030257     -0.138470      3.574307
  C      -6.042129     -0.150788      2.068067
  N      -6.307856      1.006713      1.466284
  C      -6.288515      1.027487      0.106633
  N      -6.029337      0.026129     -0.708630
  C      -5.753991     -1.175917     -0.116528
  C      -5.471718     -2.297281     -0.934651
  C      -5.185199     -3.517212     -0.357393
  C      -5.170249     -3.664763      1.050337
  C      -5.446071     -2.589837      1.871053
  C      -5.745247     -1.322376      1.308692
  C      -3.370090      6.338300      6.177874
  C      -3.436674      7.697064      5.469132
  C      -4.244825      7.666134      4.172698
  C      -5.710398      7.352857      4.351645
  N      -6.260772      7.640317      5.524543
  C      -7.581769      7.359445      5.685524
  N      -8.396797      6.792960      4.820193
  C      -7.856944      6.491264      3.599982
  C      -8.676611      5.883680      2.618917
  C      -8.162155      5.584323      1.375341
  C      -6.819523      5.897841      1.058231
  C      -5.997766      6.488842      1.997982
  C      -6.488958      6.780021      3.296455
  C      -5.834788      2.863978      6.766572
  C      -6.707463      4.121786      6.770162
  C      -8.207771      3.844401      6.837914
  C      -8.835103      3.396085      5.540240
  N      -8.037697      3.066451      4.533000
  C      -8.621060      2.679550      3.361974
  N      -9.907117      2.591654      3.099763
  C     -10.754729      2.930713      4.120102
  C     -12.152418      2.873338      3.901136
  C     -13.025375      3.212583      4.914881
  C     -12.537435      3.617004      6.179517
  C     -11.179203      3.682587      6.418323
  C     -10.258188      3.343979      5.395767
  H      -3.731343      1.188143      2.499643
  H      -4.784863      2.146028      3.516986
  H      -4.717878      0.220315      5.254012
  H      -3.978622     -0.769818      3.980809
  H      -6.435448     -1.079372      3.972081
  H      -6.692324      0.675573      3.902189
  H      -6.518341      1.996560     -0.349951
  H      -5.492816     -2.160730     -2.016669
  H      -4.971182     -4.381183     -0.989076
  H      -4.943683     -4.638854      1.486506
  H      -5.438032     -2.718427      2.954116
  H      -4.392619      6.015759      6.423294
  H      -2.830711      6.459046      7.135365
  H      -2.418609      8.052544      5.245060
  H      -3.882163      8.417016      6.170309
  H      -4.167471      8.642763      3.663722
  H      -3.796753      6.935881      3.484162
  H      -8.001597      7.630049      6.659765
  H      -9.712306      5.664048      2.879548
  H      -8.794850      5.107588      0.625329
  H      -6.439531      5.684666      0.057509
  H      -4.977304      6.767066      1.729559
  H      -5.982913      2.298376      7.704423
  H      -6.166829      2.214955      5.941496
  H      -6.418848      4.762961      7.617153
  H      -6.487602      4.681998      5.848766
  H      -8.426855      3.086134      7.612401
  H      -8.733958      4.752051      7.170170
  H      -7.922115      2.406102      2.564388
  H     -12.506438      2.557640      2.918689
  H     -14.102432      3.170826      4.743463
  H     -13.243492      3.881615      6.968220
  H     -10.815795      3.997421      7.396943
  N      -3.295140      4.245729      2.589963
  H      -2.570485      4.965734      2.524152
  H      -4.144467      4.643388      2.175255
  H      -3.000619      3.470277      1.991705
99
Coordinates from ORCA-job orca E -6204.767944271603
  N      -2.838670      1.933208      4.256083
  Mo     -3.595858      3.610997      4.851192
  N      -4.406914      3.163023      6.584741
  C      -3.598895      3.172754      7.800889
  C      -2.266772      2.456051      7.563716
  N      -1.591123      2.996059      6.372907
  C      -0.844162      2.004777      5.588149
  C      -1.821686      1.096852      4.850217
  C      -0.890065      4.266276      6.589182
  C      -1.273202      5.245853      5.464245
  N      -2.726686      5.294412      5.369237
  H      -1.282087      0.515361      4.079941
  H      -2.265750      0.359017      5.546027
  H      -0.230820      2.553709      4.860217
  H      -0.161600      1.404488      6.217946
  H      -0.850617      6.244875      5.663845
  H      -0.841658      4.896154      4.511623
  H      -1.212160      4.683112      7.553584
  H       0.203559      4.123724      6.635909
  H      -4.129602      2.665699      8.624858
  H      -3.410157      4.208494      8.139701
  H      -2.467952      1.390572      7.387173
  H      -1.617752      2.533434      8.455358
  C      -3.974328      1.367524      3.554656
  C      -4.619870      0.118917      4.159639
  C      -6.026446     -0.125549      3.577114
  C      -6.039647     -0.160553      2.071281
  N      -6.301972      0.988457      1.451995
  C      -6.282277      0.988263      0.092363
  N      -6.024803     -0.025765     -0.707355
  C      -5.753286     -1.219348     -0.097268
  C      -5.473404     -2.353514     -0.898009
  C      -5.192090     -3.565629     -0.302417
  C      -5.180237     -3.692268      1.107089
  C      -5.453175     -2.604468      1.911286
  C      -5.746678     -1.344443      1.329927
  C      -3.366086      6.332385      6.184358
  C      -3.431983      7.697579      5.488378
  C      -4.249378      7.679737      4.197468
  C      -5.715065      7.373130      4.387177
  N      -6.254865      7.662129      5.564748
  C      -7.576280      7.389751      5.735444
  N      -8.402456      6.833446      4.873911
  C      -7.873869      6.529468      3.649558
  C      -8.705715      5.931388      2.672879
  C      -8.201317      5.625682      1.426883
  C      -6.856554      5.923325      1.103111
  C      -6.023651      6.506720      2.037521
  C      -6.504621      6.805266      3.337937
  C      -5.831910      2.856442      6.738611
  C      -6.704873      4.114332      6.744546
  C      -8.205078      3.835359      6.808778
  C      -8.829899      3.393262      5.507712
  N      -8.030565      3.068063      4.500545
  C      -8.611620      2.686492      3.326910
  N      -9.897207      2.600423      3.061676
  C     -10.746987      2.934042      4.082026
  C     -12.144337      2.876082      3.860776
  C     -13.019116      3.208394      4.875209
  C     -12.533498      3.606872      6.142498
  C     -11.175650      3.673413      6.383463
  C     -10.252674      3.341241      5.360551
  H      -3.743177      1.205189      2.485660
  H      -4.780478      2.164359      3.516055
  H      -4.707158      0.241661      5.250190
  H      -3.973341     -0.753576      3.977486
  H      -6.433409     -1.059331      3.989388
  H      -6.685787      0.695112      3.894131
  H      -6.509854      1.950676     -0.378867
  H      -5.492445     -2.233176     -1.981820
  H      -4.980208     -4.439461     -0.920762
  H      -4.958307     -4.660631      1.557945
  H      -5.447879     -2.717081      2.995980
  H      -4.388813      6.007488      6.426144
  H      -2.827394      6.443579      7.143333
  H      -2.414194      8.051646      5.261053
  H      -3.871057      8.412664      6.198433
  H      -4.171275      8.659750      3.695184
  H      -3.810268      6.951886      3.500640
  H      -7.986476      7.659279      6.714106
  H      -9.742389      5.722553      2.939420
  H      -8.843118      5.154932      0.680902
  H      -6.483453      5.702884      0.101468
  H      -5.001257      6.772672      1.763441
  H      -5.985484      2.286677      7.673093
  H      -6.161244      2.211703      5.909007
  H      -6.417741      4.752858      7.594107
  H      -6.484407      4.677939      5.825282
  H      -8.423797      3.071265      7.577777
  H      -8.732727      4.740139      7.146308
  H      -7.911459      2.415194      2.529672
  H     -12.496547      2.564888      2.876324
  H     -14.095951      3.165418      4.702249
  H     -13.240946      3.866119      6.931656
  H     -10.814046      3.983718      7.364118
  N      -3.276814      4.264439      2.580653
  H      -2.562494      4.995991      2.527013
  H      -4.127910      4.651832      2.160440
  H      -2.965640      3.496012      1.982196
99
Coordinates from ORCA-job orca E -6204.768083974097
  N      -2.830024      1.939645      4.233979
  Mo     -3.589683      3.613326      4.834487
  N      -4.404340      3.156929      6.564079
  C      -3.599247      3.158692      7.780996
  C      -2.267033      2.443179      7.540920
  N      -1.589084      2.990954      6.355929
  C      -0.838979      2.006769      5.566533
  C      -1.815062      1.099481      4.826178
  C      -0.890049      4.260484      6.581400
  C      -1.269397      5.242797      5.458144
  N      -2.722386      5.294000      5.362951
  H      -1.275164      0.520465      4.054469
  H      -2.260358      0.360193      5.519479
  H      -0.231202      2.561962      4.838195
  H      -0.150587      1.407157      6.190883
  H      -0.844142      6.240490      5.658772
  H      -0.839233      4.892743      4.505143
  H      -1.219324      4.673403      7.545082
  H       0.203531      4.119611      6.634649
  H      -4.130886      2.646350      8.601208
  H      -3.411004      4.192169      8.126885
  H      -2.469517      1.379428      7.356001
  H      -1.620631      2.512514      8.435026
  C      -3.973565      1.376743      3.544831
  C      -4.615830      0.130157      4.156789
  C      -6.023709     -0.118985      3.578996
  C      -6.036373     -0.174146      2.073906
  N      -6.295808      0.966853      1.439109
  C      -6.272782      0.948466      0.079688
  N      -6.012717     -0.075730     -0.706182
  C      -5.743979     -1.261198     -0.080092
  C      -5.460869     -2.405489     -0.865174
  C      -5.183374     -3.610082     -0.253352
  C      -5.178860     -3.718864      1.157614
  C      -5.454210     -2.620811      1.946938
  C      -5.743382     -1.367972      1.348709
  C      -3.360528      6.324404      6.187654
  C      -3.426760      7.695290      5.503155
  C      -4.256257      7.689941      4.219802
  C      -5.721795      7.391533      4.423445
  N      -6.248598      7.684049      5.606167
  C      -7.570157      7.421179      5.789609
  N      -8.409028      6.873543      4.934740
  C      -7.894144      6.565274      3.705707
  C      -8.739697      5.974735      2.736243
  C      -8.248072      5.661427      1.487026
  C      -6.902435      5.943864      1.152948
  C      -6.056727      6.520915      2.079362
  C      -6.524600      6.827956      3.382484
  C      -5.829215      2.850553      6.710290
  C      -6.701628      4.109141      6.721813
  C      -8.202142      3.830971      6.780279
  C      -8.823783      3.396103      5.475258
  N      -8.022594      3.075433      4.467951
  C      -8.601346      2.701229      3.291130
  N      -9.886601      2.618609      3.022422
  C     -10.738380      2.946244      4.043096
  C     -12.135455      2.888695      3.819583
  C     -13.011828      3.213253      4.835155
  C     -12.528333      3.604332      6.105528
  C     -11.170881      3.671023      6.348600
  C     -10.246156      3.345735      5.324972
  H      -3.754350      1.214746      2.473381
  H      -4.777084      2.176867      3.513259
  H      -4.699849      0.257778      5.247101
  H      -3.969481     -0.742706      3.975963
  H      -6.431434     -1.046602      4.003787
  H      -6.681823      0.706659      3.885476
  H      -6.498893      1.904475     -0.404425
  H      -5.474519     -2.299185     -1.950517
  H      -4.969099     -4.491671     -0.859780
  H      -4.960477     -4.681676      1.621491
  H      -5.454596     -2.719551      3.032992
  H      -4.383099      5.997744      6.428038
  H      -2.820612      6.427545      7.146779
  H      -2.409583      8.047001      5.269778
  H      -3.857450      8.406347      6.222268
  H      -4.177807      8.673159      3.723850
  H      -3.828363      6.964139      3.514030
  H      -7.968929      7.691249      6.772885
  H      -9.776277      5.776021      3.011439
  H      -8.900287      5.195223      0.747377
  H      -6.538382      5.715379      0.149847
  H      -5.033239      6.774153      1.797022
  H      -5.988111      2.274010      7.639765
  H      -6.156159      2.212951      5.874359
  H      -6.416025      4.742105      7.576061
  H      -6.478562      4.678549      5.806696
  H      -8.423137      3.062144      7.543946
  H      -8.729850      4.734183      7.121530
  H      -7.900218      2.431504      2.494189
  H     -12.485986      2.583131      2.832756
  H     -14.088434      3.169539      4.660714
  H     -13.236936      3.857567      6.895614
  H     -10.810888      3.975615      7.331626
  N      -3.265513      4.279746      2.569938
  H      -2.562944      5.023379      2.525325
  H      -4.119921      4.655118      2.145858
  H      -2.938323      3.518464      1.971118
99
Coordinates from ORCA-job orca E -6204.768208469490
  N      -2.822295      1.945586      4.213098
  Mo     -3.583310      3.616297      4.818648
  N      -4.401248      3.153861      6.544463
  C      -3.599274      3.150434      7.762441
  C      -2.267395      2.434315      7.521615
  N      -1.586270      2.986549      6.341421
  C      -0.834996      2.007020      5.548448
  C      -1.810647      1.101303      4.805777
  C      -0.887469      4.254792      6.573216
  C      -1.263657      5.239184      5.451157
  N      -2.716168      5.293694      5.356852
  H      -1.270584      0.522881      4.033902
  H      -2.259247      0.362454      5.497224
  H      -0.231556      2.566683      4.819320
  H      -0.142069      1.407539      6.168220
  H      -0.835120      6.235512      5.651694
  H      -0.835736      4.887906      4.497657
  H      -1.221353      4.665504      7.536286
  H       0.205939      4.114159      6.631184
  H      -4.132601      2.635868      8.580246
  H      -3.410357      4.182466      8.112027
  H      -2.471903      1.372045      7.330861
  H      -1.624055      2.497258      8.418354
  C      -3.973069      1.385538      3.535115
  C      -4.612460      0.140753      4.152892
  C      -6.021328     -0.112447      3.579054
  C      -6.033217     -0.187408      2.074873
  N      -6.290078      0.945469      1.424608
  C      -6.265357      0.908839      0.065666
  N      -6.003986     -0.125504     -0.706150
  C      -5.737595     -1.302748     -0.064097
  C      -5.453015     -2.457262     -0.833247
  C      -5.179529     -3.654375     -0.205275
  C      -5.180758     -3.745292      1.206778
  C      -5.456748     -2.636894      1.980938
  C      -5.741330     -1.391161      1.365928
  C      -3.351924      6.316961      6.191457
  C      -3.420190      7.693073      5.517719
  C      -4.262844      7.699706      4.242909
  C      -5.727769      7.407962      4.460581
  N      -6.241300      7.700528      5.649207
  C      -7.562655      7.446159      5.844815
  N      -8.414113      6.909215      4.995353
  C      -7.913317      6.600618      3.760804
  C      -8.772762      6.020907      2.796900
  C      -8.294360      5.704447      1.543440
  C      -6.948092      5.972858      1.199700
  C      -6.089426      6.540294      2.119830
  C      -6.543840      6.851413      3.426591
  C      -5.825836      2.846776      6.683460
  C      -6.698564      4.105558      6.700321
  C      -8.199287      3.827720      6.752547
  C      -8.816597      3.396325      5.444300
  N      -8.012468      3.078798      4.438281
  C      -8.587752      2.709164      3.258672
  N      -9.872436      2.628318      2.985540
  C     -10.727238      2.951365      4.004985
  C     -12.123757      2.893356      3.777816
  C     -13.002774      3.212262      4.792668
  C     -12.522791      3.598808      6.065708
  C     -11.166059      3.666494      6.312244
  C     -10.238493      3.346280      5.289691
  H      -3.764525      1.223876      2.461606
  H      -4.773985      2.188867      3.509398
  H      -4.694042      0.272533      5.242919
  H      -3.966233     -0.732363      3.973324
  H      -6.430176     -1.033776      4.016101
  H      -6.678083      0.718164      3.874938
  H      -6.490819      1.858223     -0.431343
  H      -5.462569     -2.365141     -1.919838
  H      -4.964291     -4.543759     -0.799585
  H      -4.966192     -4.702635      1.683577
  H      -5.461674     -2.721663      3.068065
  H      -4.373794      5.988480      6.432674
  H      -2.808972      6.413292      7.149548
  H      -2.404081      8.042773      5.276936
  H      -3.841890      8.400182      6.245960
  H      -4.185212      8.686420      3.753713
  H      -3.846121      6.976963      3.527537
  H      -7.950047      7.714210      6.833164
  H      -9.809094      5.831327      3.080197
  H      -8.957160      5.245299      0.808861
  H      -6.593377      5.739932      0.194360
  H      -5.065066      6.781568      1.829944
  H      -5.989230      2.263321      7.607870
  H      -6.150022      2.216134      5.841299
  H      -6.414993      4.733383      7.559176
  H      -6.472602      4.680506      5.789227
  H      -8.423089      3.056592      7.513153
  H      -8.727458      4.730602      7.093921
  H      -7.884809      2.440882      2.462914
  H     -12.471470      2.591343      2.788968
  H     -14.078873      3.167347      4.615593
  H     -13.233325      3.847639      6.855306
  H     -10.808757      3.967743      7.297213
  N      -3.257274      4.295949      2.559788
  H      -2.566693      5.051067      2.522544
  H      -4.115356      4.659066      2.133191
  H      -2.915205      3.541685      1.960166
99
Coordinates from ORCA-job orca E -6204.768312595936
  N      -2.813906      1.950823      4.191865
  Mo     -3.576980      3.618798      4.802930
  N      -4.398111      3.150523      6.524966
  C      -3.599475      3.143580      7.744559
  C      -2.267560      2.427056      7.504598
  N      -1.583027      2.982380      6.328482
  C      -0.831245      2.006089      5.532927
  C      -1.806676      1.102566      4.787546
  C      -0.884036      4.249395      6.565181
  C      -1.257784      5.235785      5.444242
  N      -2.709969      5.293061      5.350669
  H      -1.265990      0.523205      4.016938
  H      -2.260179      0.365473      5.477391
  H      -0.230325      2.568823      4.803617
  H      -0.135701      1.406129      6.149511
  H      -0.826569      6.230976      5.644827
  H      -0.831729      4.883707      4.490213
  H      -1.220969      4.658378      7.527956
  H       0.209171      4.108545      6.626466
  H      -4.134874      2.627795      8.560251
  H      -3.410185      4.174634      8.096511
  H      -2.473292      1.365837      7.309632
  H      -1.627487      2.485542      8.403958
  C      -3.971420      1.392733      3.524140
  C      -4.607315      0.149091      4.147084
  C      -6.016629     -0.109306      3.576549
  C      -6.027756     -0.202633      2.073511
  N      -6.283415      0.922275      1.409219
  C      -6.257118      0.868914      0.050859
  N      -5.993497     -0.174366     -0.708055
  C      -5.727831     -1.343542     -0.051419
  C      -5.440352     -2.506925     -0.805948
  C      -5.168668     -3.696540     -0.163275
  C      -5.174757     -3.770961      1.249672
  C      -5.452934     -2.653548      2.009886
  C      -5.735295     -1.415003      1.379566
  C      -3.343427      6.310204      6.194075
  C      -3.415080      7.690055      5.528393
  C      -4.272877      7.704819      4.263830
  C      -5.736630      7.420910      4.498952
  N      -6.234709      7.717886      5.693110
  C      -7.555349      7.472464      5.904192
  N      -8.420466      6.942367      5.064196
  C      -7.935790      6.629129      3.824357
  C      -8.810433      6.056523      2.869883
  C      -8.347704      5.733687      1.612109
  C      -7.001999      5.987998      1.254837
  C      -6.129000      6.548799      2.165095
  C      -6.567545      6.867749      3.475388
  C      -5.822823      2.843611      6.657655
  C      -6.694756      4.103264      6.677216
  C      -8.195973      3.827654      6.723458
  C      -8.809437      3.399321      5.412430
  N      -8.002854      3.081544      4.408330
  C      -8.575176      2.716392      3.226117
  N      -9.859314      2.640368      2.948242
  C     -10.716527      2.963010      3.965641
  C     -12.112470      2.908801      3.734120
  C     -12.993665      3.226759      4.747219
  C     -12.516706      3.609230      6.022638
  C     -11.160706      3.673568      6.273362
  C     -10.230828      3.353553      5.252923
  H      -3.772571      1.231507      2.448841
  H      -4.770457      2.198571      3.503915
  H      -4.687269      0.284340      5.236817
  H      -3.960118     -0.723536      3.968827
  H      -6.425631     -1.025100      4.024773
  H      -6.672978      0.725084      3.862511
  H      -6.482769      1.811826     -0.457890
  H      -5.446364     -2.427872     -1.893567
  H      -4.951222     -4.592703     -0.746467
  H      -4.962090     -4.722741      1.738227
  H      -5.461526     -2.725375      3.097887
  H      -4.364115      5.979712      6.437783
  H      -2.796543      6.401844      7.150339
  H      -2.400651      8.037466      5.277544
  H      -3.826537      8.394921      6.264630
  H      -4.196396      8.693151      3.777603
  H      -3.868970      6.982485      3.540937
  H      -7.929828      7.742549      6.896958
  H      -9.845585      5.876318      3.164135
  H      -9.022197      5.279238      0.885401
  H      -6.658775      5.748465      0.247099
  H      -5.104885      6.778088      1.864701
  H      -5.990487      2.255429      7.578317
  H      -6.144727      2.218251      5.810835
  H      -6.412885      4.727367      7.539475
  H      -6.464960      4.681613      5.769020
  H      -8.423922      3.055797      7.482135
  H      -8.723345      4.731469      7.063431
  H      -7.870792      2.446810      2.432103
  H     -12.457768      2.609948      2.743459
  H     -14.069246      3.184167      4.566899
  H     -13.228804      3.857510      6.810906
  H     -10.805689      3.971960      7.260014
  N      -3.250176      4.311282      2.549169
  H      -2.572087      5.077845      2.518705
  H      -4.111956      4.661428      2.119515
  H      -2.892598      3.564150      1.949340
99
Coordinates from ORCA-job orca E -6204.768409419543
  N      -2.806200      1.955602      4.171771
  Mo     -3.570875      3.621330      4.788443
  N      -4.394418      3.147340      6.506969
  C      -3.598716      3.137173      7.728036
  C      -2.266742      2.420311      7.488838
  N      -1.579198      2.978456      6.316426
  C      -0.827376      2.005040      5.518019
  C      -1.802612      1.103883      4.769810
  C      -0.879841      4.244238      6.557420
  C      -1.252055      5.232838      5.438065
  N      -2.703962      5.292555      5.345765
  H      -1.261423      0.523923      4.000137
  H      -2.260479      0.368193      5.457967
  H      -0.228462      2.570594      4.788871
  H      -0.129737      1.404193      6.131588
  H      -0.818434      6.226985      5.638817
  H      -0.828033      4.880451      4.483243
  H      -1.218655      4.651427      7.520328
  H       0.213194      4.102984      6.620811
  H      -4.136059      2.620305      8.541728
  H      -3.409029      4.167315      8.082130
  H      -2.473438      1.360017      7.290076
  H      -1.629616      2.474885      8.390530
  C      -3.970145      1.399863      3.513633
  C      -4.603075      0.157222      4.140930
  C      -6.013037     -0.105434      3.573969
  C      -6.023763     -0.216810      2.072248
  N      -6.277628      0.900003      1.393771
  C      -6.250222      0.829465      0.036174
  N      -5.985561     -0.223042     -0.709384
  C      -5.721284     -1.383996     -0.037974
  C      -5.432313     -2.556548     -0.777436
  C      -5.163043     -3.738482     -0.119794
  C      -5.173206     -3.795910      1.293841
  C      -5.452280     -2.669164      2.039621
  C      -5.731812     -1.438005      1.393701
  C      -3.335006      6.304277      6.197155
  C      -3.410411      7.687238      5.538343
  C      -4.282643      7.709114      4.283891
  C      -5.745208      7.433420      4.535598
  N      -6.228006      7.733078      5.735371
  C      -7.547915      7.496943      5.960841
  N      -8.426634      6.975997      5.129057
  C      -7.957930      6.660239      3.883793
  C      -8.847911      6.097961      2.937326
  C      -8.400642      5.770749      1.675079
  C      -7.055095      6.009566      1.305671
  C      -6.167739      6.560795      2.207490
  C      -6.590746      6.885820      3.521358
  C      -5.819093      2.840049      6.634040
  C      -6.690857      4.100036      6.657509
  C      -8.192276      3.825380      6.696888
  C      -8.800473      3.400777      5.382336
  N      -7.990191      3.085151      4.380433
  C      -8.558125      2.724631      3.194958
  N      -9.841379      2.651329      2.911492
  C     -10.702261      2.971371      3.926448
  C     -12.097392      2.919321      3.689408
  C     -12.982053      3.234647      4.700144
  C     -12.509671      3.612775      5.978527
  C     -11.154671      3.675169      6.234633
  C     -10.221204      3.357260      5.216901
  H      -3.780741      1.239610      2.436584
  H      -4.767343      2.208211      3.499292
  H      -4.681055      0.295246      5.230438
  H      -3.955367     -0.715101      3.963331
  H      -6.422585     -1.015521      4.033104
  H      -6.668473      0.732825      3.850449
  H      -6.475414      1.765734     -0.484651
  H      -5.435344     -2.490901     -1.865923
  H      -4.944454     -4.641680     -0.691484
  H      -4.962891     -4.741974      1.794372
  H      -5.463906     -2.727668      3.128339
  H      -4.354324      5.971746      6.443975
  H      -2.783835      6.392205      7.151250
  H      -2.397769      8.032379      5.277416
  H      -3.811760      8.390436      6.281697
  H      -4.206850      8.698578      3.799721
  H      -3.891405      6.986572      3.554454
  H      -7.909582      7.767371      6.958179
  H      -9.882136      5.928065      3.241585
  H      -9.086972      5.323661      0.954993
  H      -6.723073      5.764967      0.295436
  H      -5.143634      6.777369      1.897647
  H      -5.990097      2.246508      7.550653
  H      -6.138867      2.220293      5.782470
  H      -6.411476      4.719583      7.523913
  H      -6.457381      4.682856      5.752938
  H      -8.424144      3.052191      7.452919
  H      -8.719861      4.729480      7.035713
  H      -7.851294      2.455599      2.402986
  H     -12.439068      2.623946      2.696500
  H     -14.056940      3.193298      4.515625
  H     -13.224338      3.859191      6.764957
  H     -10.803133      3.970536      7.223379
  N      -3.243836      4.327252      2.539957
  H      -2.577704      5.104404      2.515924
  H      -4.109059      4.665262      2.107700
  H      -2.871865      3.587399      1.939507
99
Coordinates from ORCA-job orca E -6204.768514686151
  N      -2.800427      1.957891      4.154552
  Mo     -3.565508      3.622955      4.774857
  N      -4.390716      3.145755      6.490682
  C      -3.597732      3.133417      7.713194
  C      -2.266194      2.414976      7.475439
  N      -1.575552      2.974312      6.306121
  C      -0.824563      2.002695      5.505185
  C      -1.799898      1.103474      4.755074
  C      -0.875175      4.238744      6.549771
  C      -1.246481      5.228829      5.431594
  N      -2.698139      5.291168      5.341163
  H      -1.258472      0.522391      3.986564
  H      -2.261926      0.369696      5.442175
  H      -0.227780      2.570308      4.775579
  H      -0.124797      1.401225      6.115951
  H      -0.810174      6.222031      5.631451
  H      -0.825038      4.875329      4.476010
  H      -1.214601      4.645093      7.512863
  H       0.217668      4.096630      6.614275
  H      -4.137386      2.617106      8.525615
  H      -3.406639      4.162979      8.067839
  H      -2.474470      1.355502      7.274048
  H      -1.631952      2.466304      8.379371
  C      -3.969815      1.404772      3.504414
  C      -4.600991      0.163181      4.134899
  C      -6.011369     -0.102640      3.570325
  C      -6.020741     -0.231489      2.070053
  N      -6.271938      0.877417      1.377795
  C      -6.242589      0.790268      0.021102
  N      -5.976781     -0.271117     -0.711296
  C      -5.714645     -1.424068     -0.025493
  C      -5.423897     -2.605387     -0.750102
  C      -5.157582     -3.779772     -0.077900
  C      -5.172657     -3.820774      1.336249
  C      -5.452973     -2.685085      2.067785
  C      -5.729172     -1.461192      1.406665
  C      -3.326250      6.298330      6.199833
  C      -3.405529      7.683802      5.546517
  C      -4.291290      7.712105      4.301789
  C      -5.752883      7.445687      4.568936
  N      -6.220516      7.746823      5.774374
  C      -7.539800      7.521234      6.013361
  N      -8.432257      7.012013      5.188728
  C      -7.979523      6.695065      3.937904
  C      -8.885206      6.146208      2.998316
  C      -8.453465      5.815699      1.731434
  C      -7.107942      6.037283      1.350754
  C      -6.205921      6.576261      2.245188
  C      -6.613236      6.906145      3.562900
  C      -5.815100      2.837323      6.612618
  C      -6.687200      4.097220      6.643527
  C      -8.188673      3.822863      6.674060
  C      -8.790276      3.403288      5.354996
  N      -7.975523      3.094059      4.354511
  C      -8.538258      2.739308      3.165122
  N      -9.820482      2.666102      2.875982
  C     -10.685754      2.979257      3.889212
  C     -12.080014      2.926496      3.646677
  C     -12.968924      3.234974      4.655722
  C     -12.502017      3.607208      5.937815
  C     -11.148118      3.670229      6.199370
  C     -10.210281      3.358802      5.183633
  H      -3.788428      1.245414      2.425885
  H      -4.764812      2.216056      3.494973
  H      -4.677789      0.303204      5.224201
  H      -3.953082     -0.709058      3.957849
  H      -6.422200     -1.006873      4.039636
  H      -6.665636      0.739612      3.837208
  H      -6.466637      1.720050     -0.511530
  H      -5.423206     -2.552713     -1.839306
  H      -4.937544     -4.689694     -0.638260
  H      -4.965066     -4.761202      1.848404
  H      -5.468139     -2.730617      3.157062
  H      -4.344029      5.964093      6.450652
  H      -2.770177      6.383733      7.151264
  H      -2.394659      8.026342      5.275570
  H      -3.796939      8.386041      6.295990
  H      -4.215307      8.702292      3.818956
  H      -3.912717      6.988720      3.566714
  H      -7.888681      7.790765      7.015425
  H      -9.918751      5.988313      3.311777
  H      -9.151959      5.378413      1.017110
  H      -6.787250      5.788456      0.337878
  H      -5.181629      6.778717      1.926580
  H      -5.988468      2.236052      7.523770
  H      -6.133059      2.225295      5.755030
  H      -6.411252      4.709506      7.516181
  H      -6.449584      4.687378      5.744717
  H      -8.425028      3.047795      7.426555
  H      -8.717119      4.726864      7.011885
  H      -7.828485      2.473696      2.374695
  H     -12.417378      2.635876      2.650937
  H     -14.043047      3.192741      4.466988
  H     -13.219853      3.848450      6.722949
  H     -10.800719      3.961363      7.190771
  N      -3.239759      4.342395      2.531968
  H      -2.584670      5.129008      2.512896
  H      -4.108642      4.669374      2.098736
  H      -2.855800      3.609652      1.929855
99
Coordinates from ORCA-job orca E -6204.768616098781
  N      -2.795277      1.960344      4.137774
  Mo     -3.560411      3.624883      4.762306
  N      -4.386282      3.144788      6.475933
  C      -3.595362      3.130891      7.699695
  C      -2.264289      2.410792      7.463212
  N      -1.571073      2.970797      6.296312
  C      -0.821657      2.000414      5.492625
  C      -1.797557      1.103470      4.740757
  C      -0.869365      4.233928      6.541716
  C      -1.240828      5.225674      5.425118
  N      -2.692351      5.290177      5.337165
  H      -1.256086      0.521005      3.973453
  H      -2.263636      0.371666      5.426967
  H      -0.226347      2.569592      4.762823
  H      -0.120447      1.397787      6.100792
  H      -0.802252      6.218076      5.624255
  H      -0.822052      4.871656      4.468510
  H      -1.208024      4.639403      7.505492
  H       0.223349      4.090783      6.605849
  H      -4.137113      2.615565      8.511231
  H      -3.402684      4.160051      8.054300
  H      -2.473896      1.351930      7.259970
  H      -1.632433      2.459713      8.368976
  C      -3.970016      1.409774      3.495138
  C      -4.599088      0.168770      4.128196
  C      -6.009800     -0.100435      3.566045
  C      -6.018347     -0.246603      2.067378
  N      -6.267744      0.854117      1.361542
  C      -6.238014      0.750193      0.005902
  N      -5.972224     -0.320123     -0.713316
  C      -5.711235     -1.464794     -0.013270
  C      -5.419961     -2.654929     -0.723031
  C      -5.155446     -3.821415     -0.036399
  C      -5.172973     -3.845609      1.378112
  C      -5.453480     -2.700956      2.095364
  C      -5.727583     -1.484708      1.419154
  C      -3.317371      6.293249      6.202746
  C      -3.401691      7.680526      5.553727
  C      -4.301747      7.713209      4.319572
  C      -5.761866      7.455979      4.603439
  N      -6.213507      7.758450      5.814656
  C      -7.531824      7.543260      6.067959
  N      -8.438274      7.045761      5.251248
  C      -8.002278      6.727918      3.994730
  C      -8.923912      6.192483      3.062785
  C      -8.508442      5.858887      1.791161
  C      -7.163593      6.063455      1.398304
  C      -6.246702      6.590219      2.284635
  C      -6.637494      6.924637      3.606283
  C      -5.810454      2.835385      6.593810
  C      -6.682749      4.095261      6.631550
  C      -8.184275      3.821478      6.651345
  C      -8.777496      3.407075      5.326958
  N      -7.956941      3.104495      4.329011
  C      -8.512877      2.755181      3.135087
  N      -9.793585      2.681660      2.838640
  C     -10.664512      2.987970      3.848876
  C     -12.057470      2.934400      3.598925
  C     -12.952019      3.236058      4.604902
  C     -12.492419      3.602329      5.891290
  C     -11.140054      3.665973      6.160189
  C     -10.196475      3.361237      5.147802
  H      -3.796651      1.251827      2.415104
  H      -4.763046      2.223764      3.491063
  H      -4.674726      0.310135      5.217375
  H      -3.950551     -0.702994      3.951262
  H      -6.421683     -0.998901      4.045386
  H      -6.662991      0.745558      3.823605
  H      -6.461583      1.673237     -0.538446
  H      -5.417390     -2.615480     -1.812802
  H      -4.934906     -4.738098     -0.585403
  H      -4.967100     -4.780117      1.901785
  H      -5.470323     -2.733224      3.185081
  H      -4.333205      5.957010      6.458687
  H      -2.755633      6.377286      7.150937
  H      -2.393116      8.020780      5.271583
  H      -3.782877      8.382391      6.308750
  H      -4.226096      8.703230      3.836164
  H      -3.936250      6.987841      3.579964
  H      -7.867264      7.811707      7.074849
  H      -9.956377      6.046899      3.385971
  H      -9.219196      5.431385      1.083096
  H      -6.854988      5.810609      0.382655
  H      -5.222696      6.778759      1.956711
  H      -5.985608      2.227057      7.499943
  H      -6.126907      2.230442      5.730831
  H      -6.411171      4.700088      7.510777
  H      -6.440017      4.692785      5.738994
  H      -8.426287      3.044746      7.400082
  H      -8.713917      4.725517      6.987480
  H      -7.799093      2.493542      2.347054
  H     -12.389126      2.648481      2.599986
  H     -14.025047      3.192984      4.410451
  H     -13.214527      3.838350      6.674033
  H     -10.798213      3.952738      7.154707
  N      -3.237302      4.358077      2.524570
  H      -2.593779      5.154297      2.509848
  H      -4.110045      4.673447      2.090545
  H      -2.841343      3.632858      1.920768
99
Coordinates from ORCA-job orca E -6204.768713573812
  N      -2.790981      1.962508      4.121426
  Mo     -3.556004      3.626477      4.750766
  N      -4.381620      3.143260      6.462606
  C      -3.592123      3.127806      7.687349
  C      -2.261452      2.406379      7.451567
  N      -1.566339      2.967250      6.286696
  C      -0.818822      1.998113      5.479846
  C      -1.795480      1.103543      4.726360
  C      -0.863372      4.229198      6.533594
  C      -1.235858      5.222931      5.419090
  N      -2.687349      5.289040      5.333945
  H      -1.254103      0.519891      3.959994
  H      -2.264989      0.373381      5.411733
  H      -0.224665      2.568772      4.750140
  H      -0.116518      1.393956      6.085386
  H      -0.795514      6.214660      5.617945
  H      -0.819647      4.869148      4.461223
  H      -1.200428      4.633424      7.498495
  H       0.229282      4.085129      6.596294
  H      -4.135586      2.613272      8.498104
  H      -3.397910      4.156544      8.041996
  H      -2.472035      1.348022      7.246655
  H      -1.631446      2.453293      8.358769
  C      -3.970914      1.414502      3.485887
  C      -4.597599      0.173649      4.120939
  C      -6.008454     -0.099207      3.560942
  C      -6.016149     -0.262341      2.064040
  N      -6.264268      0.829928      1.344819
  C      -6.234618      0.709110     -0.009620
  N      -5.969073     -0.370046     -0.715590
  C      -5.708499     -1.506094     -0.001450
  C      -5.416741     -2.704873     -0.696335
  C      -5.152983     -3.863015      0.004634
  C      -5.171836     -3.870104      1.419363
  C      -5.452628     -2.716669      2.122266
  C      -5.725794     -1.508558      1.431041
  C      -3.309314      6.288520      6.205871
  C      -3.399266      7.677098      5.560232
  C      -4.313393      7.712906      4.336759
  C      -5.771809      7.464871      4.637273
  N      -6.207443      7.767586      5.854292
  C      -7.524572      7.562506      6.121630
  N      -8.444759      7.077464      5.312593
  C      -8.025490      6.759973      4.050341
  C      -8.962756      6.238744      3.125820
  C      -8.563571      5.903399      1.849374
  C      -7.219806      6.091453      1.444506
  C      -6.288312      6.605167      2.323043
  C      -6.662568      6.942751      3.648690
  C      -5.805686      2.833299      6.577477
  C      -6.677758      4.093337      6.621703
  C      -8.179374      3.820627      6.629900
  C      -8.763683      3.411914      5.299848
  N      -7.936992      3.116066      4.304750
  C      -8.485677      2.772061      3.106111
  N      -9.764719      2.697931      2.802017
  C     -10.641627      2.997696      3.808847
  C     -12.033135      2.943568      3.550888
  C     -12.933699      3.238843      4.553308
  C     -12.481887      3.599208      5.844105
  C     -11.131179      3.663172      6.120922
  C     -10.181522      3.364835      5.112341
  H      -3.805604      1.258548      2.404322
  H      -4.762198      2.230962      3.487841
  H      -4.672191      0.315868      5.210054
  H      -3.948047     -0.697319      3.943848
  H      -6.421230     -0.992056      4.049859
  H      -6.660829      0.750135      3.809366
  H      -6.458016      1.625148     -0.565653
  H      -5.413062     -2.678798     -1.786545
  H      -4.931913     -4.786334     -0.532962
  H      -4.966730     -4.798306      1.954486
  H      -5.470219     -2.735450      3.212306
  H      -4.322979      5.950129      6.467408
  H      -2.741672      6.371999      7.150560
  H      -2.393269      8.015344      5.266698
  H      -3.770456      8.378941      6.320171
  H      -4.238121      8.702111      3.851466
  H      -3.960849      6.984744      3.593674
  H      -7.846541      7.828901      7.133395
  H      -9.993863      6.105379      3.458536
  H      -9.286255      5.486343      1.147233
  H      -6.923424      5.835635      0.425961
  H      -5.264928      6.780325      1.986096
  H      -5.982140      2.218610      7.479056
  H      -6.121200      2.234925      5.709772
  H      -6.410949      4.690463      7.507627
  H      -6.429257      4.698203      5.735719
  H      -8.427740      3.042202      7.374543
  H      -8.710100      4.724730      6.964415
  H      -7.767652      2.513927      2.320877
  H     -12.358721      2.662239      2.548693
  H     -14.005526      3.195212      4.352675
  H     -13.208580      3.830279      6.624070
  H     -10.795270      3.945552      7.118657
  N      -3.236035      4.373624      2.518072
  H      -2.604010      5.179066      2.507541
  H      -4.112498      4.677607      2.083364
  H      -2.828459      3.656054      1.912365
99
Coordinates from ORCA-job orca E -6204.768805386627
  N      -2.786161      1.965880      4.104239
  Mo     -3.551236      3.628854      4.739251
  N      -4.376847      3.141842      6.449074
  C      -3.588755      3.124717      7.674907
  C      -2.258253      2.402351      7.439869
  N      -1.561211      2.964350      6.277021
  C      -0.815581      1.996523      5.466931
  C      -1.792959      1.104776      4.711193
  C      -0.857042      4.225126      6.525682
  C      -1.230558      5.221337      5.413636
  N      -2.682078      5.288707      5.330891
  H      -1.251453      0.520166      3.945708
  H      -2.265900      0.375920      5.395377
  H      -0.221721      2.568640      4.738044
  H      -0.112976      1.390210      6.070088
  H      -0.788913      6.212417      5.613096
  H      -0.816317      4.868650      4.454455
  H      -1.192283      4.627688      7.491941
  H       0.235578      4.080128      6.586618
  H      -4.133886      2.610611      8.484698
  H      -3.393341      4.153003      8.029897
  H      -2.469375      1.344417      7.233269
  H      -1.630036      2.447509      8.348449
  C      -3.971230      1.420437      3.475462
  C      -4.595000      0.179298      4.112184
  C      -6.005799     -0.097817      3.554285
  C      -6.012913     -0.278592      2.059397
  N      -6.260463      0.804696      1.326534
  C      -6.232124      0.666353     -0.026455
  N      -5.967824     -0.421968     -0.718703
  C      -5.706921     -1.548886      0.009818
  C      -5.415866     -2.756628     -0.669718
  C      -5.152025     -3.905865      0.045916
  C      -5.170115     -3.894944      1.460684
  C      -5.450154     -2.732438      2.148770
  C      -5.723325     -1.533051      1.442179
  C      -3.301238      6.284388      6.209313
  C      -3.397799      7.674256      5.567271
  C      -4.326627      7.712390      4.355209
  C      -5.782734      7.472676      4.673373
  N      -6.201921      7.775516      5.896138
  C      -7.517272      7.579183      6.178306
  N      -8.450760      7.104905      5.378013
  C      -8.048572      6.787669      4.110143
  C      -9.000851      6.278332      3.194240
  C      -8.618313      5.941264      1.913097
  C      -7.276786      6.115286      1.495043
  C      -6.331251      6.618115      2.364664
  C      -6.688504      6.958598      3.694256
  C      -5.801105      2.831995      6.561268
  C      -6.672526      4.092567      6.609121
  C      -8.174340      3.821634      6.605931
  C      -8.750088      3.417471      5.270754
  N      -7.917522      3.126358      4.278992
  C      -8.459248      2.786665      3.076055
  N      -9.736599      2.712946      2.764334
  C     -10.619242      3.008349      3.767273
  C     -12.009227      2.955300      3.501072
  C     -12.915573      3.246752      4.499324
  C     -12.471318      3.602101      5.794129
  C     -11.122288      3.664773      6.079064
  C     -10.166816      3.370307      5.074881
  H      -3.814041      1.266994      2.392381
  H      -4.761076      2.239042      3.483909
  H      -4.668698      0.322138      5.201258
  H      -3.943858     -0.690457      3.934962
  H      -6.419337     -0.984855      4.053068
  H      -6.657558      0.754742      3.793194
  H      -6.455809      1.575007     -0.594381
  H      -5.412646     -2.744564     -1.760217
  H      -4.931363     -4.836066     -0.479883
  H      -4.965032     -4.816393      2.007514
  H      -5.466951     -2.737088      3.238993
  H      -4.312449      5.943332      6.476727
  H      -2.727522      6.367408      7.150358
  H      -2.394915      8.011204      5.261832
  H      -3.758957      8.375829      6.332241
  H      -4.252560      8.700362      3.867119
  H      -3.987100      6.981083      3.609132
  H      -7.825483      7.843698      7.194808
  H     -10.029747      6.155362      3.537282
  H      -9.352347      5.532832      1.217754
  H      -6.993122      5.856576      0.473594
  H      -5.309412      6.781844      2.017934
  H      -5.979110      2.213027      7.459588
  H      -6.115675      2.238310      5.690125
  H      -6.410564      4.683660      7.500579
  H      -6.417828      4.702900      5.728589
  H      -8.429440      3.042383      7.347277
  H      -8.705703      4.726389      6.937978
  H      -7.737181      2.530618      2.293908
  H     -12.328909      2.677866      2.495931
  H     -13.986150      3.203980      4.292317
  H     -13.202425      3.830282      6.570799
  H     -10.792145      3.943556      7.079688
  N      -3.233656      4.389925      2.511478
  H      -2.613439      5.204491      2.505597
  H      -4.113290      4.682356      2.075376
  H      -2.813964      3.680227      1.904360
99
Coordinates from ORCA-job orca E -6204.768886722433
  N      -2.781577      1.970022      4.086442
  Mo     -3.546814      3.631529      4.727986
  N      -4.372424      3.139731      6.435677
  C      -3.585483      3.120267      7.662441
  C      -2.254953      2.397566      7.427482
  N      -1.556329      2.961497      6.266735
  C      -0.812364      1.995424      5.453089
  C      -1.790394      1.106736      4.694780
  C      -0.851166      4.221139      6.517770
  C      -1.225689      5.220274      5.408568
  N      -2.677267      5.288737      5.328100
  H      -1.248730      0.521700      3.929787
  H      -2.266278      0.378596      5.377466
  H      -0.218493      2.569249      4.725521
  H      -0.109719      1.386627      6.053784
  H      -0.783000      6.210684      5.609273
  H      -0.813133      4.869317      4.447987
  H      -1.184730      4.621517      7.485540
  H       0.241443      4.075331      6.576890
  H      -4.131959      2.605709      8.470937
  H      -3.389267      4.147900      8.018628
  H      -2.466262      1.340085      7.218698
  H      -1.628209      2.440749      8.337214
  C      -3.971937      1.427247      3.464595
  C      -4.592502      0.185672      4.103040
  C      -6.003294     -0.095958      3.547620
  C      -6.010104     -0.294346      2.054972
  N      -6.257409      0.779587      1.308448
  C      -6.230607      0.623360     -0.042863
  N      -5.967722     -0.474120     -0.721059
  C      -5.706133     -1.591460      0.021887
  C      -5.415897     -2.808105     -0.641996
  C      -5.151393     -3.947930      0.088398
  C      -5.167999     -3.918515      1.502978
  C      -5.447271     -2.747005      2.175929
  C      -5.721095     -1.556883      1.453858
  C      -3.293693      6.280717      6.212798
  C      -3.396347      7.671804      5.574351
  C      -4.339461      7.711996      4.373727
  C      -5.792927      7.480550      4.709559
  N      -6.195711      7.783333      5.937820
  C      -7.509054      7.595285      6.234716
  N      -8.455435      7.131285      5.443445
  C      -8.070183      6.814579      4.170200
  C      -9.036935      6.316654      3.263120
  C      -8.670895      5.978503      1.977450
  C      -7.331967      6.139538      1.546183
  C      -6.372916      6.631811      2.406754
  C      -6.713342      6.974470      3.740098
  C      -5.797028      2.830437      6.545460
  C      -6.667659      4.091647      6.595087
  C      -8.169603      3.822391      6.581142
  C      -8.737097      3.422140      5.241256
  N      -7.898799      3.135204      4.252991
  C      -8.433699      2.799451      3.045932
  N      -9.709340      2.726202      2.726762
  C     -10.597624      3.017695      3.725759
  C     -11.986055      2.966105      3.451352
  C     -12.898057      3.254618      4.445268
  C     -12.461204      3.605405      5.743844
  C     -11.113845      3.666360      6.036849
  C     -10.152729      3.374881      5.037232
  H      -3.823252      1.276649      2.379992
  H      -4.760422      2.247817      3.480220
  H      -4.664930      0.329161      5.192095
  H      -3.939687     -0.682776      3.925543
  H      -6.417396     -0.977178      4.056170
  H      -6.654570      0.759540      3.777162
  H      -6.454620      1.524274     -0.622802
  H      -5.413653     -2.810358     -1.732606
  H      -4.931203     -4.884975     -0.425352
  H      -4.962401     -4.832791      2.061616
  H      -5.462738     -2.737204      3.266159
  H      -4.302563      5.937107      6.485661
  H      -2.714271      6.363039      7.150382
  H      -2.396638      8.007451      5.257296
  H      -3.747572      8.373146      6.344110
  H      -4.266609      8.698468      3.882337
  H      -4.012837      6.977212      3.625246
  H      -7.803632      7.858002      7.255662
  H     -10.063337      6.203305      3.616481
  H      -9.415848      5.578386      1.288977
  H      -7.060943      5.878561      0.521915
  H      -5.352954      6.785045      2.050333
  H      -5.976694      2.208636      7.441451
  H      -6.110685      2.240057      5.671830
  H      -6.410537      4.677938      7.491162
  H      -6.406929      4.706201      5.719145
  H      -8.431057      3.042476      7.319472
  H      -8.701637      4.727795      6.910648
  H      -7.707656      2.545144      2.266927
  H     -12.299946      2.692272      2.443423
  H     -13.967390      3.213104      4.231911
  H     -13.196637      3.831426      6.517046
  H     -10.789352      3.941953      7.040176
  N      -3.230708      4.406384      2.505149
  H      -2.622514      5.229971      2.504462
  H      -4.112994      4.687220      2.066797
  H      -2.798463      3.704773      1.897169
99
Coordinates from ORCA-job orca E -6204.768972582753
  N      -2.777770      1.971940      4.072098
  Mo     -3.542195      3.633336      4.717913
  N      -4.368100      3.139006      6.423894
  C      -3.582543      3.117950      7.651836
  C      -2.252263      2.394038      7.418061
  N      -1.551528      2.958636      6.259155
  C      -0.809562      1.993485      5.442554
  C      -1.788105      1.107369      4.682087
  C      -0.845098      4.217113      6.511585
  C      -1.220538      5.218643      5.404785
  N      -2.672201      5.288120      5.326006
  H      -1.246147      0.521667      3.917828
  H      -2.266547      0.380071      5.363669
  H      -0.215269      2.568410      4.716196
  H      -0.107285      1.382239      6.041291
  H      -0.776949      6.208507      5.606472
  H      -0.809242      4.869069      4.443088
  H      -1.176436      4.615992      7.480760
  H       0.247474      4.070226      6.568564
  H      -4.130891      2.604152      8.459416
  H      -3.384909      4.145180      8.008093
  H      -2.464057      1.336892      7.207961
  H      -1.627215      2.435871      8.329088
  C      -3.971937      1.432070      3.454723
  C      -4.590652      0.189881      4.093291
  C      -6.000737     -0.095405      3.538064
  C      -6.005501     -0.310930      2.047811
  N      -6.251222      0.754118      1.288342
  C      -6.224986      0.581171     -0.061147
  N      -5.964055     -0.525078     -0.725827
  C      -5.703032     -1.633434      0.030845
  C      -5.414192     -2.858551     -0.618002
  C      -5.149977     -3.989406      0.126405
  C      -5.165479     -3.942382      1.540637
  C      -5.443617     -2.762346      2.199057
  C      -5.717235     -1.581098      1.462273
  C      -3.286235      6.277342      6.215656
  C      -3.395696      7.668947      5.579171
  C      -4.352177      7.709780      4.389315
  C      -5.803026      7.486421      4.742016
  N      -6.189373      7.787580      5.975944
  C      -7.500468      7.607871      6.287361
  N      -8.459552      7.155077      5.504841
  C      -8.091515      6.840384      4.226017
  C      -9.072741      6.354608      3.327683
  C      -8.723772      6.017468      2.037024
  C      -7.388229      6.166841      1.592084
  C      -6.415413      6.647484      2.443827
  C      -6.738338      6.990010      3.781565
  C      -5.793154      2.830377      6.531553
  C      -6.662751      4.092379      6.583285
  C      -8.164928      3.825479      6.558018
  C      -8.724741      3.428467      5.213907
  N      -7.881594      3.146278      4.228258
  C      -8.410854      2.813855      3.017763
  N      -9.685040      2.740408      2.692512
  C     -10.578046      3.027474      3.688530
  C     -11.965148      2.976946      3.407328
  C     -12.881922      3.262212      4.397863
  C     -12.451281      3.608363      5.699800
  C     -11.105304      3.667855      5.999505
  C     -10.139490      3.379773      5.003393
  H      -3.829630      1.284417      2.368889
  H      -4.759008      2.254877      3.476278
  H      -4.663430      0.333177      5.182321
  H      -3.936009     -0.677241      3.915976
  H      -6.416622     -0.970604      4.055451
  H      -6.651472      0.763170      3.757447
  H      -6.448071      1.474956     -0.652412
  H      -5.412504     -2.874398     -1.708578
  H      -4.930651     -4.932949     -0.375773
  H      -4.959992     -4.849796      2.110456
  H      -5.458053     -2.738764      3.289147
  H      -4.292594      5.931185      6.494331
  H      -2.701125      6.360403      7.149614
  H      -2.399291      8.003601      5.250906
  H      -3.737986      8.370556      6.352624
  H      -4.280588      8.694156      3.893478
  H      -4.037656      6.970904      3.639532
  H      -7.781235      7.867674      7.312933
  H     -10.096213      6.250179      3.691568
  H      -9.479627      5.626627      1.355153
  H      -7.130730      5.905290      0.564499
  H      -5.397724      6.790826      2.077604
  H      -5.974219      2.205687      7.425208
  H      -6.106143      2.243435      5.655465
  H      -6.410867      4.673151      7.484465
  H      -6.395290      4.711660      5.712526
  H      -8.433400      3.045826      7.293975
  H      -8.697160      4.732193      6.884094
  H      -7.681728      2.561287      2.241139
  H     -12.274139      2.706767      2.396888
  H     -13.950206      3.221757      4.179238
  H     -13.190345      3.831987      6.470308
  H     -10.785524      3.940308      7.005197
  N      -3.227159      4.421451      2.500411
  H      -2.629513      5.252631      2.504019
  H      -4.111738      4.692401      2.060769
  H      -2.784615      3.727229      1.890884
99
Coordinates from ORCA-job orca E -6204.768947305561
  N      -2.778561      1.967135      4.066830
  Mo     -3.538596      3.631275      4.714017
  N      -4.357216      3.140511      6.424344
  C      -3.567159      3.120248      7.651184
  C      -2.236874      2.395613      7.415646
  N      -1.539304      2.958447      6.252888
  C      -0.802256      1.991456      5.432491
  C      -1.783632      1.106173      4.674187
  C      -0.831791      4.217774      6.499911
  C      -1.214704      5.219383      5.394947
  N      -2.667797      5.287282      5.321388
  H      -1.243609      0.519840      3.908794
  H      -2.258529      0.378387      5.357584
  H      -0.207447      2.564927      4.706167
  H      -0.100964      1.377939      6.029471
  H      -0.772059      6.210156      5.594730
  H      -0.805791      4.871011      4.431551
  H      -1.155329      4.616978      7.471549
  H       0.261061      4.070447      6.548750
  H      -4.114283      2.608689      8.460800
  H      -3.367292      4.147788      8.004998
  H      -2.448293      1.337703      7.208750
  H      -1.608673      2.440378      8.324606
  C      -3.975193      1.427486      3.451203
  C      -4.591520      0.184294      4.089833
  C      -6.001558     -0.105351      3.536869
  C      -6.008786     -0.333323      2.048648
  N      -6.263048      0.723313      1.280650
  C      -6.243394      0.537414     -0.067603
  N      -5.983755     -0.575039     -0.722743
  C      -5.713047     -1.674698      0.043353
  C      -5.423901     -2.905239     -0.595276
  C      -5.147544     -4.026624      0.158813
  C      -5.150875     -3.964659      1.572911
  C      -5.430828     -2.779411      2.221188
  C      -5.717176     -1.607810      1.474135
  C      -3.278550      6.281449      6.209063
  C      -3.407941      7.665388      5.559290
  C      -4.388648      7.687717      4.388732
  C      -5.831158      7.465623      4.776055
  N      -6.185236      7.764101      6.020107
  C      -7.487383      7.583710      6.365231
  N      -8.466622      7.133616      5.606679
  C      -8.132592      6.822377      4.317703
  C      -9.137814      6.339394      3.444433
  C      -8.823957      6.006436      2.143900
  C      -7.501305      6.155473      1.664026
  C      -6.505127      6.632167      2.491495
  C      -6.791991      6.971677      3.838448
  C      -5.783935      2.835529      6.536741
  C      -6.650290      4.099163      6.592900
  C      -8.152353      3.836017      6.539454
  C      -8.689058      3.460341      5.179684
  N      -7.828844      3.199226      4.202838
  C      -8.337012      2.888600      2.977095
  N      -9.605065      2.821433      2.628387
  C     -10.514995      3.089666      3.614351
  C     -11.896638      3.049551      3.306415
  C     -12.830976      3.319684      4.284999
  C     -12.423573      3.638370      5.601641
  C     -11.083126      3.686075      5.927767
  C     -10.099986      3.414414      4.943907
  H      -3.838083      1.282178      2.364319
  H      -4.762806      2.252240      3.478883
  H      -4.662902      0.326053      5.179087
  H      -3.934171     -0.680606      3.911338
  H      -6.416721     -0.976826      4.061341
  H      -6.652788      0.754080      3.750269
  H      -6.473251      1.424285     -0.667070
  H      -5.431154     -2.932339     -1.685732
  H      -4.927342     -4.974289     -0.335362
  H      -4.934859     -4.864561      2.150604
  H      -5.435679     -2.744344      3.311208
  H      -4.278464      5.930811      6.504339
  H      -2.681739      6.378380      7.134224
  H      -2.419832      8.000908      5.207548
  H      -3.738834      8.374396      6.330919
  H      -4.330262      8.664326      3.876259
  H      -4.088517      6.938116      3.643008
  H      -7.740774      7.840871      7.398576
  H     -10.150786      6.235971      3.834746
  H      -9.597922      5.619212      1.480212
  H      -7.272646      5.896331      0.629079
  H      -5.497262      6.773919      2.099688
  H      -5.963718      2.208416      7.428932
  H      -6.100404      2.251849      5.659714
  H      -6.411390      4.667506      7.505481
  H      -6.367661      4.729157      5.734527
  H      -8.436529      3.048260      7.260663
  H      -8.687745      4.740387      6.867632
  H      -7.594853      2.650530      2.208053
  H     -12.187574      2.800849      2.284948
  H     -13.895112      3.288841      4.045454
  H     -13.176346      3.850606      6.362235
  H     -10.781193      3.938337      6.944349
  N      -3.234453      4.429886      2.499535
  H      -2.641212      5.263928      2.501376
  H      -4.122377      4.697271      2.065090
  H      -2.791777      3.740193      1.884742
99
Coordinates from ORCA-job orca E -6204.768870229905
  N      -2.798889      1.950382      4.091914
  Mo     -3.550528      3.618451      4.742094
  N      -4.351420      3.132137      6.464311
  C      -3.548068      3.114391      7.687604
  C      -2.216979      2.390991      7.446014
  N      -1.529933      2.952463      6.272771
  C      -0.801205      1.982065      5.444692
  C      -1.788059      1.099612      4.687966
  C      -0.822782      4.214619      6.511338
  C      -1.220593      5.216609      5.410733
  N      -2.677719      5.280012      5.340473
  H      -1.251382      0.516543      3.916789
  H      -2.249944      0.364778      5.372871
  H      -0.200684      2.552222      4.722843
  H      -0.106674      1.361730      6.040487
  H      -0.783465      6.209973      5.610639
  H      -0.810266      4.874022      4.445241
  H      -1.131475      4.612620      7.488102
  H       0.270575      4.067381      6.543723
  H      -4.089523      2.603883      8.501408
  H      -3.346820      4.142542      8.038728
  H      -2.425201      1.330952      7.246258
  H      -1.578208      2.443880      8.347755
  C      -3.991716      1.407053      3.463880
  C      -4.603883      0.156571      4.092483
  C      -6.011292     -0.138895      3.536868
  C      -6.023833     -0.359433      2.047800
  N      -6.304450      0.696847      1.289873
  C      -6.303198      0.520319     -0.059723
  N      -6.045000     -0.587474     -0.724413
  C      -5.745339     -1.687351      0.032141
  C      -5.454754     -2.911891     -0.617984
  C      -5.143320     -4.030681      0.126147
  C      -5.111870     -3.972659      1.541012
  C      -5.397418     -2.794527      2.199914
  C      -5.720645     -1.626367      1.463088
  C      -3.285179      6.296662      6.209295
  C      -3.397891      7.670697      5.533655
  C      -4.366523      7.685468      4.352107
  C      -5.816654      7.495942      4.730986
  N      -6.164256      7.793942      5.976652
  C      -7.470057      7.646123      6.319172
  N      -8.459749      7.230144      5.555473
  C      -8.133784      6.922080      4.263015
  C      -9.152111      6.474712      3.385221
  C      -8.849552      6.148100      2.080717
  C      -7.526917      6.266645      1.600388
  C      -6.516055      6.707667      2.432981
  C      -6.791482      7.038264      3.785527
  C      -5.779652      2.820453      6.596668
  C      -6.657204      4.074986      6.651957
  C      -8.156162      3.793322      6.580341
  C      -8.676387      3.426081      5.210801
  N      -7.805241      3.195807      4.235736
  C      -8.300383      2.892505      3.001185
  N      -9.563437      2.811311      2.641710
  C     -10.483802      3.053584      3.624596
  C     -11.861179      3.010350      3.300605
  C     -12.808038      3.263617      4.272432
  C     -12.416566      3.563630      5.599076
  C     -11.079748      3.611193      5.941305
  C     -10.084834      3.361151      4.963128
  H      -3.852029      1.268971      2.376229
  H      -4.786361      2.231380      3.498849
  H      -4.676464      0.287192      5.182911
  H      -3.938142     -0.700975      3.908671
  H      -6.421343     -1.015887      4.057225
  H      -6.667973      0.714440      3.755384
  H      -6.555040      1.408499     -0.650800
  H      -5.488047     -2.935005     -1.708313
  H      -4.920730     -4.973536     -0.376500
  H      -4.865493     -4.869787      2.110849
  H      -5.375447     -2.763179      3.290221
  H      -4.289023      5.960927      6.507344
  H      -2.690162      6.402711      7.134717
  H      -2.402738      7.989848      5.186186
  H      -3.728372      8.397587      6.288786
  H      -4.286689      8.646941      3.815300
  H      -4.072241      6.913155      3.625467
  H      -7.715774      7.903211      7.355009
  H     -10.165050      6.397029      3.774483
  H      -9.633675      5.790980      1.411223
  H      -7.310450      6.012521      0.561562
  H      -5.506199      6.827133      2.042707
  H      -5.942469      2.199212      7.496140
  H      -6.101101      2.225146      5.728877
  H      -6.435293      4.640651      7.570708
  H      -6.372149      4.713145      5.799894
  H      -8.440074      2.996633      7.292233
  H      -8.706399      4.688292      6.911011
  H      -7.549519      2.680150      2.233376
  H     -12.139677      2.776825      2.271496
  H     -13.869208      3.234809      4.019865
  H     -13.179401      3.763096      6.353574
  H     -10.790170      3.851047      6.964995
  N      -3.269214      4.428666      2.528003
  H      -2.675338      5.261262      2.522101
  H      -4.160827      4.698430      2.105856
  H      -2.835961      3.742492      1.902911
99
Coordinates from ORCA-job orca E -6204.769167062152
  N      -2.792589      1.952098      4.085629
  Mo     -3.539691      3.627207      4.717454
  N      -4.362618      3.155527      6.432930
  C      -3.572473      3.143544      7.660853
  C      -2.246318      2.408409      7.434000
  N      -1.545035      2.955043      6.264332
  C      -0.814802      1.973681      5.453575
  C      -1.800905      1.091890      4.697062
  C      -0.828683      4.211913      6.499869
  C      -1.207856      5.210125      5.390035
  N      -2.661395      5.283787      5.315207
  H      -1.262629      0.498881      3.935241
  H      -2.278172      0.367643      5.383451
  H      -0.206920      2.534783      4.728976
  H      -0.126500      1.355513      6.060231
  H      -0.763271      6.200320      5.587873
  H      -0.797569      4.858404      4.428323
  H      -1.144872      4.619083      7.470578
  H       0.263238      4.056778      6.544791
  H      -4.123649      2.642806      8.474494
  H      -3.367589      4.173625      8.004838
  H      -2.462683      1.349216      7.238804
  H      -1.616026      2.460782      8.340997
  C      -3.981148      1.413982      3.451028
  C      -4.611453      0.175148      4.084448
  C      -6.013721     -0.110837      3.511764
  C      -6.001421     -0.341092      2.023704
  N      -6.242079      0.714852      1.251131
  C      -6.207313      0.527834     -0.096243
  N      -5.946669     -0.587252     -0.746634
  C      -5.688972     -1.686758      0.024411
  C      -5.399692     -2.919898     -0.609305
  C      -5.134280     -4.040415      0.149810
  C      -5.149334     -3.975311      1.563814
  C      -5.431399     -2.787856      2.207073
  C      -5.706650     -1.617203      1.454828
  C      -3.264057      6.285054      6.201648
  C      -3.386352      7.669071      5.550820
  C      -4.369197      7.699971      4.382292
  C      -5.811685      7.479270      4.771424
  N      -6.155474      7.742306      6.026218
  C      -7.456230      7.560090      6.375228
  N      -8.443313      7.139411      5.610438
  C      -8.120128      6.867467      4.309462
  C      -9.135534      6.422607      3.427854
  C      -8.834248      6.134185      2.113638
  C      -7.514638      6.288823      1.628671
  C      -6.508014      6.728049      2.464916
  C      -6.782699      7.022823      3.825025
  C      -5.791331      2.854826      6.553596
  C      -6.658601      4.118467      6.583406
  C      -8.160578      3.849875      6.536601
  C      -8.702035      3.445939      5.186346
  N      -7.846565      3.171765      4.209197
  C      -8.361180      2.826198      2.995021
  N      -9.630374      2.734500      2.658628
  C     -10.535326      3.018706      3.644435
  C     -11.918359      2.959168      3.346966
  C     -12.848521      3.246022      4.324878
  C     -12.434863      3.598796      5.630988
  C     -11.092663      3.664891      5.946802
  C     -10.114021      3.379969      4.962254
  H      -3.827012      1.264075      2.367060
  H      -4.767216      2.241483      3.466698
  H      -4.696945      0.319962      5.172353
  H      -3.953599     -0.691949      3.918116
  H      -6.440128     -0.980253      4.031204
  H      -6.665016      0.751138      3.714245
  H      -6.423991      1.415968     -0.699134
  H      -5.398003     -2.948903     -1.699615
  H      -4.913849     -4.990052     -0.340373
  H      -4.940980     -4.874341      2.145624
  H      -5.446246     -2.751114      3.296898
  H      -4.264993      5.941153      6.501297
  H      -2.663622      6.378123      7.124819
  H      -2.396592      7.998934      5.198093
  H      -3.711377      8.380202      6.323032
  H      -4.308438      8.677414      3.872102
  H      -4.073522      6.952298      3.632264
  H      -7.699636      7.788199      7.418056
  H     -10.146116      6.313711      3.822408
  H      -9.615710      5.777394      1.441645
  H      -7.297364      6.064236      0.583204
  H      -5.501650      6.875910      2.070870
  H      -5.967776      2.248619      7.460687
  H      -6.108891      2.249109      5.691736
  H      -6.421819      4.706034      7.484248
  H      -6.377663      4.730966      5.712290
  H      -8.440640      3.075598      7.273887
  H      -8.699260      4.757775      6.849420
  H      -7.622755      2.576153      2.227203
  H     -12.214129      2.683082      2.333894
  H     -13.913931      3.201589      4.093268
  H     -13.184590      3.822756      6.391151
  H     -10.786094      3.942656      6.955390
  N      -3.224436      4.411111      2.498121
  H      -2.618059      5.235593      2.493342
  H      -4.108259      4.690102      2.062670
  H      -2.793611      3.712979      1.884825
99
Coordinates from ORCA-job orca E -6204.769200595111
  N      -2.784585      1.955862      4.075876
  Mo     -3.531854      3.628875      4.711297
  N      -4.353064      3.152644      6.425164
  C      -3.564152      3.137846      7.651441
  C      -2.237907      2.405621      7.420166
  N      -1.538250      2.955129      6.252598
  C      -0.808697      1.976133      5.440274
  C      -1.795278      1.093408      4.686675
  C      -0.822047      4.211256      6.488917
  C      -1.201631      5.210119      5.380599
  N      -2.653640      5.284339      5.310621
  H      -1.258155      0.499999      3.924729
  H      -2.273324      0.370787      5.374489
  H      -0.204138      2.539291      4.713347
  H      -0.116880      1.358309      6.044432
  H      -0.755460      6.199710      5.577528
  H      -0.795349      4.857711      4.417793
  H      -1.137901      4.617118      7.460385
  H       0.270087      4.056787      6.532638
  H      -4.113987      2.632872      8.463442
  H      -3.360993      4.167064      7.998872
  H      -2.453442      1.346905      7.221571
  H      -1.607964      2.455576      8.327110
  C      -3.976385      1.418524      3.450274
  C      -4.602143      0.181258      4.090751
  C      -6.008814     -0.104302      3.529233
  C      -6.006700     -0.342353      2.042497
  N      -6.244440      0.710486      1.263980
  C      -6.216045      0.512341     -0.082316
  N      -5.963554     -0.608368     -0.725798
  C      -5.709783     -1.703850      0.051310
  C      -5.429937     -2.942956     -0.574790
  C      -5.170471     -4.060444      0.190811
  C      -5.182219     -3.986011      1.603933
  C      -5.453397     -2.792159      2.239977
  C      -5.722214     -1.624236      1.480933
  C      -3.254191      6.286350      6.195815
  C      -3.387277      7.663071      5.533018
  C      -4.391240      7.680284      4.382677
  C      -5.830688      7.496384      4.800482
  N      -6.156102      7.811006      6.048345
  C      -7.457744      7.670374      6.415292
  N      -8.461576      7.244633      5.675500
  C      -8.156371      6.917717      4.383202
  C      -9.188448      6.459785      3.528407
  C      -8.903762      6.114874      2.224172
  C      -7.584169      6.224172      1.723039
  C      -6.562122      6.673780      2.533066
  C      -6.819903      7.027121      3.881631
  C      -5.777680      2.839879      6.537945
  C      -6.653686      4.096540      6.584133
  C      -8.151827      3.816975      6.513228
  C      -8.672419      3.457095      5.143044
  N      -7.801683      3.240316      4.164762
  C      -8.296687      2.941985      2.930430
  N      -9.561196      2.846294      2.575826
  C     -10.482008      3.071713      3.562725
  C     -11.860958      3.001496      3.248121
  C     -12.805705      3.228150      4.227633
  C     -12.411528      3.530947      5.551812
  C     -11.074054      3.606604      5.884560
  C     -10.080650      3.380252      4.899898
  H      -3.828125      1.267843      2.365858
  H      -4.759887      2.244447      3.469021
  H      -4.680023      0.329746      5.178854
  H      -3.946444     -0.687075      3.922278
  H      -6.433924     -0.969632      4.055956
  H      -6.656337      0.760713      3.731871
  H      -6.427680      1.396378     -0.691304
  H      -5.430958     -2.979242     -1.664751
  H      -4.957868     -5.014752     -0.293531
  H      -4.979548     -4.882921      2.190961
  H      -5.465948     -2.748181      3.329329
  H      -4.250879      5.939607      6.506484
  H      -2.645695      6.390212      7.112390
  H      -2.403713      7.985750      5.157319
  H      -3.696184      8.384197      6.302508
  H      -4.323223      8.643203      3.846101
  H      -4.121996      6.908634      3.647381
  H      -7.686036      7.937888      7.451586
  H     -10.198528      6.385775      3.935653
  H      -9.697855      5.748031      1.573141
  H      -7.379318      5.954865      0.685793
  H      -5.554829      6.781669      2.126905
  H      -5.952084      2.219357      7.435514
  H      -6.088057      2.244808      5.666146
  H      -6.431817      4.665876      7.500123
  H      -6.367723      4.730315      5.730129
  H      -8.432965      3.014914      7.219631
  H      -8.701595      4.709003      6.850959
  H      -7.545826      2.732698      2.161139
  H     -12.141545      2.764840      2.221174
  H     -13.867824      3.174488      3.983118
  H     -13.172475      3.707851      6.313012
  H     -10.782560      3.844979      6.907314
  N      -3.214770      4.414994      2.493487
  H      -2.612295      5.242937      2.491465
  H      -4.099107      4.690077      2.055369
  H      -2.779017      3.718837      1.881215
99
Coordinates from ORCA-job orca E -6204.769339092955
  N      -2.791810      1.950211      4.081593
  Mo     -3.531265      3.628410      4.713761
  N      -4.351852      3.159859      6.430623
  C      -3.560438      3.145152      7.657325
  C      -2.236160      2.407489      7.428280
  N      -1.535427      2.951732      6.257574
  C      -0.810773      1.967516      5.445487
  C      -1.801024      1.088365      4.691632
  C      -0.814980      4.206631      6.490086
  C      -1.195338      5.205814      5.381589
  N      -2.648619      5.283038      5.311335
  H      -1.265675      0.492956      3.929596
  H      -2.278678      0.366228      5.380008
  H      -0.201206      2.526153      4.720329
  H      -0.124446      1.345991      6.051320
  H      -0.747812      6.195063      5.577905
  H      -0.788747      4.852870      4.418804
  H      -1.125242      4.614456      7.462463
  H       0.276711      4.048352      6.529540
  H      -4.111875      2.644873      8.471003
  H      -3.352882      4.174366      8.001947
  H      -2.454476      1.348559      7.233746
  H      -1.604403      2.459354      8.334256
  C      -3.982259      1.415157      3.448409
  C      -4.614107      0.178547      4.084660
  C      -6.017278     -0.106703      3.514255
  C      -6.006378     -0.353602      2.029063
  N      -6.242071      0.694439      1.244170
  C      -6.209149      0.489872     -0.101027
  N      -5.956809     -0.635087     -0.737579
  C      -5.704339     -1.726325      0.046571
  C      -5.423443     -2.969052     -0.572132
  C      -5.162571     -4.081335      0.200511
  C      -5.173886     -3.998123      1.613535
  C      -5.447925     -2.801005      2.242279
  C      -5.718824     -1.638471      1.475843
  C      -3.246514      6.292265      6.191639
  C      -3.384192      7.663978      5.518707
  C      -4.395169      7.672718      4.374138
  C      -5.831040      7.487729      4.804340
  N      -6.137466      7.777499      6.062874
  C      -7.432891      7.629806      6.446690
  N      -8.448079      7.220648      5.713123
  C      -8.163601      6.921587      4.409151
  C      -9.210393      6.485285      3.560410
  C      -8.948660      6.173254      2.243319
  C      -7.638370      6.291380      1.723440
  C      -6.601076      6.717675      2.528063
  C      -6.835469      7.039202      3.889455
  C      -5.778884      2.852250      6.548562
  C      -6.652200      4.110815      6.587924
  C      -8.150507      3.832253      6.509677
  C      -8.663165      3.461469      5.139179
  N      -7.787181      3.239781      4.166786
  C      -8.275936      2.928204      2.932839
  N      -9.537928      2.826679      2.572549
  C     -10.463760      3.057486      3.553291
  C     -11.840641      2.984717      3.231147
  C     -12.791205      3.219581      4.203390
  C     -12.404623      3.532025      5.527890
  C     -11.068936      3.609589      5.867954
  C     -10.070054      3.376823      4.890166
  H      -3.829596      1.264977      2.364391
  H      -4.765053      2.244288      3.466055
  H      -4.698438      0.326189      5.172297
  H      -3.957239     -0.689763      3.920531
  H      -6.448209     -0.968289      4.042673
  H      -6.664595      0.760473      3.707478
  H      -6.420895      1.370877     -0.715602
  H      -5.424162     -3.011717     -1.662035
  H      -4.948455     -5.038346     -0.278050
  H      -4.968941     -4.890782      2.206253
  H      -5.459763     -2.750449      3.331558
  H      -4.241622      5.947450      6.509363
  H      -2.634030      6.402972      7.104798
  H      -2.402852      7.984433      5.135267
  H      -3.689518      8.390835      6.284300
  H      -4.332758      8.631853      3.830383
  H      -4.129770      6.896429      3.641412
  H      -7.645048      7.878845      7.491366
  H     -10.212870      6.404375      3.981681
  H      -9.754227      5.825686      1.595431
  H      -7.453024      6.046926      0.676364
  H      -5.600908      6.832608      2.108580
  H      -5.952648      2.237844      7.450518
  H      -6.092466      2.251525      5.681513
  H      -6.434590      4.682511      7.503581
  H      -6.360766      4.741437      5.733288
  H      -8.437359      3.036521      7.220980
  H      -8.702004      4.727620      6.836710
  H      -7.521434      2.720156      2.167467
  H     -12.115334      2.740802      2.204006
  H     -13.851881      3.165345      3.952861
  H     -13.170212      3.715647      6.283091
  H     -10.783201      3.856784      6.890505
  N      -3.214651      4.417882      2.497243
  H      -2.608466      5.242620      2.493553
  H      -4.098171      4.697874      2.062457
  H      -2.784495      3.721330      1.881392
99
Coordinates from ORCA-job orca E -6204.769366095851
  N      -2.795784      1.950541      4.092968
  Mo     -3.527521      3.634024      4.717728
  N      -4.359046      3.173515      6.432081
  C      -3.572161      3.157174      7.661573
  C      -2.251447      2.411247      7.439549
  N      -1.542807      2.948638      6.270395
  C      -0.820137      1.957919      5.464400
  C      -1.812477      1.083624      4.707460
  C      -0.815736      4.199633      6.503837
  C      -1.185472      5.198936      5.391951
  N      -2.637951      5.284522      5.315391
  H      -1.277383      0.484323      3.948229
  H      -2.296695      0.364774      5.394756
  H      -0.202843      2.510928      4.741594
  H      -0.141441      1.333132      6.075434
  H      -0.733187      6.185953      5.588705
  H      -0.776534      4.841861      4.431673
  H      -1.127503      4.610982      7.474250
  H       0.274812      4.034818      6.547817
  H      -4.129350      2.661433      8.474161
  H      -3.360428      4.185927      8.005310
  H      -2.475223      1.353192      7.246553
  H      -1.622676      2.461575      8.347720
  C      -3.982560      1.420381      3.448814
  C      -4.627060      0.188002      4.081083
  C      -6.026477     -0.088872      3.497868
  C      -6.002059     -0.333775      2.012408
  N      -6.221543      0.717289      1.227120
  C      -6.174579      0.515675     -0.117923
  N      -5.922246     -0.609457     -0.754145
  C      -5.686262     -1.704168      0.030397
  C      -5.406118     -2.947247     -0.587961
  C      -5.161450     -4.062986      0.185005
  C      -5.188795     -3.982942      1.597966
  C      -5.462425     -2.785547      2.226397
  C      -5.716939     -1.619467      1.459706
  C      -3.234105      6.301077      6.188318
  C      -3.367528      7.666833      5.502555
  C      -4.375281      7.664179      4.355340
  C      -5.812295      7.485310      4.783542
  N      -6.120246      7.778287      6.040936
  C      -7.416206      7.631942      6.423421
  N      -8.430270      7.220043      5.689702
  C      -8.143993      6.918004      4.386609
  C      -9.189179      6.478080      3.537682
  C      -8.925488      6.163226      2.221638
  C      -7.614611      6.280628      1.703225
  C      -6.578588      6.709506      2.508088
  C      -6.815319      7.035006      3.868123
  C      -5.786808      2.866630      6.546732
  C      -6.661482      4.124563      6.580971
  C      -8.159962      3.842340      6.511880
  C      -8.682486      3.462262      5.147488
  N      -7.815137      3.244537      4.166652
  C      -8.314856      2.922933      2.939721
  N      -9.579440      2.804979      2.594332
  C     -10.496596      3.029822      3.584397
  C     -11.876109      2.939498      3.278577
  C     -12.818018      3.168757      4.260555
  C     -12.419732      3.492873      5.578757
  C     -11.081148      3.587586      5.902791
  C     -10.091125      3.361127      4.914654
  H      -3.818978      1.267178      2.366816
  H      -4.761237      2.252750      3.457808
  H      -4.719972      0.337762      5.167743
  H      -3.974120     -0.684566      3.924069
  H      -6.467628     -0.948496      4.021016
  H      -6.670600      0.781892      3.685835
  H      -6.372889      1.399806     -0.732746
  H      -5.394244     -2.987255     -1.677912
  H      -4.947807     -5.020233     -0.293305
  H      -4.996438     -4.878240      2.190949
  H      -5.486424     -2.737646      3.315608
  H      -4.230433      5.961001      6.507598
  H      -2.622420      6.417018      7.101309
  H      -2.384707      7.981757      5.118361
  H      -3.673813      8.401717      6.260058
  H      -4.309813      8.616235      3.799627
  H      -4.109283      6.878287      3.632835
  H      -7.629625      7.884346      7.467211
  H     -10.191903      6.396492      3.958007
  H      -9.729781      5.813324      1.573393
  H      -7.427721      6.032246      0.657367
  H      -5.577540      6.821938      2.090213
  H      -5.961989      2.256072      7.451070
  H      -6.098427      2.261207      5.682075
  H      -6.441242      4.701869      7.492445
  H      -6.374735      4.750296      5.721352
  H      -8.439688      3.049164      7.228895
  H      -8.712252      4.737465      6.838584
  H      -7.567354      2.718392      2.167244
  H     -12.159856      2.686902      2.255986
  H     -13.880817      3.100879      4.022697
  H     -13.178640      3.671749      6.341810
  H     -10.786284      3.843923      6.920535
  N      -3.193230      4.416415      2.500646
  H      -2.580706      5.236471      2.498904
  H      -4.071799      4.702704      2.060058
  H      -2.765137      3.715808      1.888005
99
Coordinates from ORCA-job orca E -6204.769423775638
  N      -2.799541      1.942464      4.104345
  Mo     -3.519334      3.634290      4.716726
  N      -4.357866      3.190063      6.432055
  C      -3.572573      3.175338      7.661998
  C      -2.257028      2.418755      7.445732
  N      -1.542986      2.944114      6.274439
  C      -0.825618      1.943163      5.476497
  C      -1.823047      1.071611      4.723108
  C      -0.807455      4.191343      6.501681
  C      -1.169528      5.187317      5.384316
  N      -2.620993      5.281857      5.307009
  H      -1.291254      0.465087      3.967299
  H      -2.312456      0.359387      5.413770
  H      -0.202328      2.487255      4.752039
  H      -0.153354      1.316817      6.093119
  H      -0.711055      6.172336      5.576732
  H      -0.762269      4.822574      4.426231
  H      -1.116846      4.609776      7.469844
  H       0.281943      4.019315      6.546689
  H      -4.133822      2.687877      8.476875
  H      -3.354210      4.204565      8.000560
  H      -2.488108      1.361252      7.258520
  H      -1.628877      2.469938      8.354233
  C      -3.983634      1.415601      3.452785
  C      -4.640243      0.190416      4.087302
  C      -6.038062     -0.078415      3.496781
  C      -6.005487     -0.327041      2.012192
  N      -6.211106      0.724015      1.223048
  C      -6.154749      0.518653     -0.121065
  N      -5.905300     -0.609635     -0.752708
  C      -5.684071     -1.704332      0.035889
  C      -5.408006     -2.950671     -0.577648
  C      -5.178020     -4.066593      0.199459
  C      -5.216567     -3.983319      1.611832
  C      -5.486407     -2.782632      2.235618
  C      -5.725960     -1.616244      1.464656
  C      -3.212123      6.307067      6.172771
  C      -3.358099      7.662301      5.468632
  C      -4.385620      7.641285      4.339394
  C      -5.816553      7.481104      4.794231
  N      -6.099285      7.776380      6.056909
  C      -7.390290      7.645133      6.461423
  N      -8.421681      7.246136      5.745033
  C      -8.161541      6.943828      4.436577
  C      -9.226476      6.518857      3.604797
  C      -8.989112      6.205667      2.283399
  C      -7.685498      6.307687      1.743028
  C      -6.630452      6.720376      2.531123
  C      -6.840505      7.045638      3.895355
  C      -5.785619      2.884553      6.544109
  C      -6.660147      4.142213      6.574294
  C      -8.156890      3.855279      6.494336
  C      -8.665882      3.476353      5.124807
  N      -7.789571      3.284193      4.146738
  C      -8.277095      2.965472      2.914334
  N      -9.537314      2.825129      2.561704
  C     -10.463725      3.021343      3.549471
  C     -11.839643      2.903758      3.236823
  C     -12.790381      3.104219      4.216616
  C     -12.404742      3.426121      5.539052
  C     -11.069853      3.546929      5.869727
  C     -10.071163      3.349493      4.884245
  H      -3.810344      1.255022      2.373460
  H      -4.757042      2.251018      3.451291
  H      -4.738166      0.346451      5.172668
  H      -3.992759     -0.687702      3.938872
  H      -6.489054     -0.933215      4.019374
  H      -6.677077      0.797532      3.678167
  H      -6.340189      1.402704     -0.739718
  H      -5.387317     -2.992867     -1.667330
  H      -4.967478     -5.026347     -0.275114
  H      -5.035732     -4.878715      2.208222
  H      -5.518866     -2.732556      3.324443
  H      -4.203635      5.967323      6.507644
  H      -2.590836      6.436918      7.077202
  H      -2.382029      7.970428      5.062453
  H      -3.651476      8.409073      6.219534
  H      -4.322802      8.579555      3.760396
  H      -4.137929      6.837028      3.630382
  H      -7.582539      7.897908      7.509110
  H     -10.222850      6.447362      4.042337
  H      -9.808452      5.868373      1.647466
  H      -7.519532      6.058940      0.693778
  H      -5.634448      6.818333      2.097383
  H      -5.962974      2.276142      7.449503
  H      -6.095363      2.276310      5.680506
  H      -6.447218      4.718550      7.487956
  H      -6.368830      4.769065      5.717359
  H      -8.438275      3.057995      7.206117
  H      -8.715934      4.746612      6.820455
  H      -7.522443      2.784666      2.142873
  H     -12.113629      2.653785      2.210960
  H     -13.850475      3.015149      3.973614
  H     -13.170577      3.582115      6.300159
  H     -10.784627      3.801299      6.890702
  N      -3.169187      4.401340      2.495983
  H      -2.550356      5.216777      2.492718
  H      -4.043187      4.692304      2.048909
  H      -2.743937      3.694732      1.888403
99
Coordinates from ORCA-job orca E -6204.769474723408
  N      -2.803382      1.935282      4.120892
  Mo     -3.508805      3.636660      4.719030
  N      -4.358190      3.211266      6.433822
  C      -3.575668      3.196981      7.665057
  C      -2.266857      2.426514      7.456836
  N      -1.544288      2.938112      6.284600
  C      -0.832744      1.925656      5.496037
  C      -1.835815      1.058617      4.744752
  C      -0.798417      4.180213      6.507080
  C      -1.149079      5.172878      5.383219
  N      -2.599169      5.279263      5.302576
  H      -1.307647      0.444282      3.992744
  H      -2.332502      0.353877      5.437958
  H      -0.202031      2.459875      4.770692
  H      -0.168636      1.297083      6.119195
  H      -0.682663      6.155082      5.571022
  H      -0.742764      4.798618      4.428423
  H      -1.106533      4.606633      7.472155
  H       0.289333      3.998949      6.555240
  H      -4.142804      2.719794      8.482016
  H      -3.348493      4.226234      7.998129
  H      -2.507665      1.370255      7.275088
  H      -1.640761      2.476978      8.366755
  C      -3.983279      1.413319      3.457743
  C      -4.656624      0.196287      4.091476
  C      -6.051480     -0.060668      3.488737
  C      -6.006564     -0.310433      2.004660
  N      -6.193344      0.742522      1.213470
  C      -6.124422      0.536438     -0.129815
  N      -5.879587     -0.594339     -0.758793
  C      -5.677954     -1.691180      0.032041
  C      -5.407891     -2.940220     -0.578582
  C      -5.197788     -4.058452      0.200814
  C      -5.250977     -3.974654      1.612596
  C      -5.515228     -2.771276      2.233597
  C      -5.734360     -1.602499      1.460312
  C      -3.185532      6.318354      6.154703
  C      -3.347341      7.656096      5.420563
  C      -4.396409      7.602771      4.312832
  C      -5.820284      7.475055      4.798419
  N      -6.074419      7.791619      6.061824
  C      -7.360000      7.688109      6.491330
  N      -8.411026      7.298020      5.799044
  C      -8.179999      6.973814      4.490302
  C      -9.266614      6.555046      3.683771
  C      -9.058116      6.221213      2.362506
  C      -7.762519      6.292889      1.798082
  C      -6.686488      6.696741      2.561732
  C      -6.867525      7.045817      3.923963
  C      -5.786170      2.907681      6.541729
  C      -6.659664      4.165678      6.568808
  C      -8.154995      3.875859      6.476618
  C      -8.649698      3.491951      5.103372
  N      -7.764816      3.319228      4.129561
  C      -8.240219      2.994536      2.894218
  N      -9.495386      2.828844      2.534987
  C     -10.430571      3.002827      3.518818
  C     -11.802145      2.854491      3.200331
  C     -12.761150      3.032460      4.176492
  C     -12.388353      3.362117      5.500644
  C     -11.057798      3.512253      5.837016
  C     -10.051019      3.337074      4.855697
  H      -3.796463      1.244739      2.382014
  H      -4.750353      2.252679      3.443046
  H      -4.762586      0.358055      5.175262
  H      -4.016456     -0.688773      3.953002
  H      -6.515767     -0.910527      4.007699
  H      -6.684068      0.821410      3.663047
  H      -6.295058      1.422042     -0.750445
  H      -5.375807     -2.982515     -1.667952
  H      -4.991957     -5.020305     -0.271517
  H      -5.085988     -4.871822      2.210871
  H      -5.559151     -2.721112      3.321993
  H      -4.170931      5.980603      6.509737
  H      -2.553275      6.469903      7.047898
  H      -2.379446      7.953112      4.987510
  H      -3.627321      8.422073      6.157077
  H      -4.334412      8.514888      3.693446
  H      -4.171133      6.766702      3.633066
  H      -7.528894      7.958678      7.538588
  H     -10.256065      6.505174      4.140143
  H      -9.893912      5.889909      1.745151
  H      -7.619412      6.025167      0.750168
  H      -5.695648      6.766455      2.110748
  H      -5.967196      2.300082      7.447052
  H      -6.093539      2.298108      5.678003
  H      -6.453925      4.739869      7.485296
  H      -6.362654      4.794067      5.715298
  H      -8.440509      3.078616      7.186784
  H      -8.719823      4.766082      6.796477
  H      -7.479212      2.833944      2.124975
  H     -12.066311      2.599662      2.173107
  H     -13.817970      2.919609      3.929049
  H     -13.160704      3.500429      6.258565
  H     -10.782152      3.772539      6.859163
  N      -3.138093      4.386239      2.494123
  H      -2.517999      5.200816      2.491202
  H      -4.006902      4.675871      2.035810
  H      -2.708619      3.675257      1.894726
99
Coordinates from ORCA-job orca E -6204.769521751503
  N      -2.797203      1.917315      4.147635
  Mo     -3.494946      3.627667      4.724032
  N      -4.358877      3.224995      6.437065
  C      -3.581448      3.216038      7.671292
  C      -2.277585      2.433796      7.476581
  N      -1.544604      2.930891      6.304422
  C      -0.833145      1.907349      5.530129
  C      -1.837092      1.039332      4.780709
  C      -0.793124      4.170884      6.521612
  C      -1.131560      5.155800      5.387151
  N      -2.580301      5.269354      5.297494
  H      -1.309055      0.417402      4.034942
  H      -2.340484      0.342163      5.476783
  H      -0.195968      2.432106      4.803584
  H      -0.175998      1.281472      6.163186
  H      -0.660770      6.137108      5.568675
  H      -0.721926      4.770231      4.438286
  H      -1.105197      4.607150      7.480973
  H       0.293244      3.984027      6.577897
  H      -4.155147      2.750888      8.490663
  H      -3.347796      4.246604      7.996209
  H      -2.525748      1.378089      7.301759
  H      -1.656239      2.486599      8.389593
  C      -3.968062      1.394626      3.468867
  C      -4.657194      0.184836      4.100730
  C      -6.048900     -0.060460      3.485629
  C      -5.993801     -0.297753      1.999806
  N      -6.168370      0.763501      1.216873
  C      -6.089732      0.569491     -0.127516
  N      -5.845627     -0.556695     -0.764997
  C      -5.657135     -1.662038      0.017259
  C      -5.389425     -2.906941     -0.602662
  C      -5.193451     -4.033816      0.167964
  C      -5.258865     -3.962853      1.579900
  C      -5.520760     -2.763659      2.209919
  C      -5.725319     -1.586312      1.445856
  C      -3.169081      6.323254      6.129629
  C      -3.350137      7.640531      5.362476
  C      -4.416477      7.550743      4.273923
  C      -5.834948      7.457218      4.782543
  N      -6.065975      7.792863      6.045137
  C      -7.347627      7.717329      6.492677
  N      -8.414467      7.338251      5.818743
  C      -8.206914      6.994761      4.510885
  C      -9.310990      6.584753      3.723728
  C      -9.125796      6.234312      2.403186
  C      -7.836608      6.277064      1.821555
  C      -6.743632      6.669050      2.566927
  C      -6.901215      7.037382      3.926673
  C      -5.787395      2.924813      6.540139
  C      -6.656728      4.185447      6.569366
  C      -8.152565      3.899987      6.473457
  C      -8.644477      3.512700      5.100155
  N      -7.759171      3.350659      4.124981
  C      -8.233186      3.022198      2.890206
  N      -9.486763      2.841510      2.532733
  C     -10.422569      3.004825      3.517973
  C     -11.792779      2.839096      3.202331
  C     -12.751992      3.006651      4.180195
  C     -12.380870      3.343268      5.502991
  C     -11.051520      3.509750      5.836682
  C     -10.044587      3.344030      4.853944
  H      -3.762382      1.215553      2.398362
  H      -4.731581      2.234977      3.434970
  H      -4.771669      0.351340      5.182951
  H      -4.023900     -0.706490      3.971349
  H      -6.522437     -0.911324      3.994464
  H      -6.677684      0.823834      3.661701
  H      -6.251007      1.461769     -0.741061
  H      -5.348051     -2.939199     -1.692049
  H      -4.989628     -4.992510     -0.311573
  H      -5.105296     -4.866668      2.171159
  H      -5.574324     -2.723524      3.298309
  H      -4.147968      5.985437      6.502884
  H      -2.529658      6.501294      7.012582
  H      -2.390142      7.928410      4.906296
  H      -3.622377      8.425586      6.081571
  H      -4.354313      8.432135      3.611690
  H      -4.210181      6.681542      3.629703
  H      -7.497889      8.002500      7.538873
  H     -10.295078      6.555869      4.193724
  H      -9.974926      5.911102      1.799893
  H      -7.711694      5.993923      0.775369
  H      -5.756812      6.711702      2.103688
  H      -5.972935      2.315475      7.443534
  H      -6.094048      2.317714      5.674404
  H      -6.451013      4.755577      7.488241
  H      -6.356341      4.815599      5.718581
  H      -8.442750      3.105834      7.185111
  H      -8.715874      4.792918      6.789015
  H      -7.472031      2.870888      2.119247
  H     -12.055904      2.580014      2.175921
  H     -13.807798      2.880332      3.934906
  H     -13.153501      3.473749      6.262004
  H     -10.776707      3.775389      6.857688
  N      -3.098477      4.349522      2.492013
  H      -2.484374      5.168692      2.488598
  H      -3.961436      4.627100      2.015563
  H      -2.654778      3.634525      1.907907
99
Coordinates from ORCA-job orca E -6204.769568320758
  N      -2.786223      1.905158      4.167624
  Mo     -3.479600      3.623259      4.723970
  N      -4.360465      3.239095      6.432281
  C      -3.591615      3.236667      7.671956
  C      -2.291366      2.444404      7.493865
  N      -1.545623      2.928079      6.324152
  C      -0.832614      1.895108      5.563777
  C      -1.835062      1.026102      4.813018
  C      -0.789567      4.165965      6.538812
  C      -1.114103      5.143853      5.394341
  N      -2.561428      5.263347      5.292970
  H      -1.305013      0.397064      4.074793
  H      -2.347446      0.336309      5.509866
  H      -0.189011      2.411965      4.837220
  H      -0.182233      1.272355      6.206655
  H      -0.639960      6.124355      5.571244
  H      -0.699405      4.748392      4.451738
  H      -1.108060      4.611141      7.491916
  H       0.295254      3.974106      6.605931
  H      -4.173557      2.782613      8.491737
  H      -3.353731      4.268731      7.989207
  H      -2.545419      1.389178      7.324726
  H      -1.677538      2.499615      8.411796
  C      -3.949521      1.383198      3.475239
  C      -4.654826      0.180976      4.104193
  C      -6.044545     -0.051272      3.478990
  C      -5.982512     -0.279792      1.992001
  N      -6.146713      0.787070      1.214147
  C      -6.062220      0.600050     -0.130967
  N      -5.820504     -0.523798     -0.773532
  C      -5.642960     -1.634621      0.003490
  C      -5.379333     -2.877667     -0.621807
  C      -5.195434     -4.010189      0.143602
  C      -5.269070     -3.946839      1.555539
  C      -5.526812     -2.749504      2.190739
  C      -5.718982     -1.566595      1.432092
  C      -3.154217      6.328114      6.108425
  C      -3.347352      7.630686      5.318802
  C      -4.425065      7.516101      4.244483
  C      -5.839437      7.448679      4.768286
  N      -6.054187      7.792888      6.031124
  C      -7.332412      7.730979      6.491520
  N      -8.408795      7.356740      5.830139
  C      -8.217451      7.004473      4.522008
  C      -9.331770      6.596470      3.748370
  C      -9.161960      6.238071      2.427736
  C      -7.878408      6.269587      1.833464
  C      -6.775765      6.657528      2.566342
  C      -6.917794      7.034643      3.925011
  C      -5.788578      2.935905      6.527170
  C      -6.660229      4.194963      6.561305
  C      -8.156137      3.909175      6.469520
  C      -8.651457      3.513167      5.099999
  N      -7.769585      3.351696      4.121601
  C      -8.247357      3.015097      2.890465
  N      -9.501582      2.826466      2.539069
  C     -10.434089      2.991006      3.527363
  C     -11.804914      2.818408      3.218261
  C     -12.760812      2.988203      4.198994
  C     -12.385807      3.334171      5.518212
  C     -11.055716      3.507140      5.845653
  C     -10.052065      3.338717      4.859968
  H      -3.728084      1.195107      2.409414
  H      -4.708989      2.225872      3.423767
  H      -4.776494      0.351280      5.185070
  H      -4.029579     -0.716956      3.981820
  H      -6.527103     -0.901727      3.979991
  H      -6.668173      0.836331      3.656584
  H      -6.215407      1.496584     -0.740256
  H      -5.331633     -2.904133     -1.711100
  H      -4.994942     -4.967469     -0.340147
  H      -5.125273     -4.855046      2.142550
  H      -5.586915     -2.714931      3.278992
  H      -4.129528      5.990762      6.491750
  H      -2.512524      6.525249      6.985584
  H      -2.392468      7.912019      4.847995
  H      -3.615009      8.428280      6.025708
  H      -4.362532      8.372978      3.551034
  H      -4.233154      6.622648      3.628399
  H      -7.470160      8.021889      7.537778
  H     -10.311326      6.575914      4.228261
  H     -10.018864      5.916431      1.834648
  H      -7.764982      5.979022      0.788022
  H      -5.792750      6.687736      2.094166
  H      -5.977076      2.320429      7.425916
  H      -6.090447      2.333839      5.656435
  H      -6.452760      4.762542      7.481393
  H      -6.362819      4.828091      5.711651
  H      -8.446306      3.120962      7.187611
  H      -8.717716      4.805256      6.779373
  H      -7.488781      2.865681      2.116231
  H     -12.071289      2.552782      2.194377
  H     -13.817072      2.856501      3.958609
  H     -13.155906      3.466852      6.279408
  H     -10.777639      3.780146      6.863786
  N      -3.054766      4.320803      2.487179
  H      -2.457573      5.152370      2.485493
  H      -3.912546      4.574104      1.988350
  H      -2.584300      3.607066      1.922671
99
Coordinates from ORCA-job orca E -6204.769613584661
  N      -2.768073      1.895616      4.177008
  Mo     -3.470761      3.614070      4.723688
  N      -4.360245      3.233366      6.427473
  C      -3.598470      3.238996      7.672203
  C      -2.295765      2.447937      7.505493
  N      -1.543300      2.929230      6.339186
  C      -0.822949      1.896423      5.585378
  C      -1.818196      1.021284      4.831834
  C      -0.792134      4.169942      6.555167
  C      -1.111785      5.142781      5.405271
  N      -2.558967      5.257193      5.293509
  H      -1.282331      0.391529      4.098576
  H      -2.333770      0.332722      5.527475
  H      -0.179924      2.414036      4.858821
  H      -0.171747      1.279777      6.233017
  H      -0.641875      6.125498      5.580662
  H      -0.690077      4.744925      4.466745
  H      -1.119590      4.617880      7.503883
  H       0.292552      3.981258      6.631801
  H      -4.184358      2.788807      8.491205
  H      -3.363803      4.273202      7.984353
  H      -2.547350      1.391797      7.338134
  H      -1.688648      2.506786      8.427684
  C      -3.927210      1.370812      3.480279
  C      -4.636247      0.169691      4.106641
  C      -6.027673     -0.056053      3.482341
  C      -5.970613     -0.270746      1.993146
  N      -6.139492      0.802341      1.224410
  C      -6.059092      0.625841     -0.122762
  N      -5.816677     -0.492318     -0.775007
  C      -5.633973     -1.608752     -0.007378
  C      -5.369208     -2.846321     -0.643014
  C      -5.180271     -3.984249      0.113179
  C      -5.249513     -3.932128      1.525953
  C      -5.508071     -2.740289      2.171022
  C      -5.705528     -1.552112      1.421852
  C      -3.162328      6.324093      6.098492
  C      -3.355636      7.624014      5.304698
  C      -4.426648      7.503388      4.224953
  C      -5.843732      7.436713      4.741948
  N      -6.063904      7.772463      6.005932
  C      -7.343902      7.701722      6.461285
  N      -8.415795      7.325681      5.793895
  C      -8.218836      6.983115      4.483881
  C      -9.328128      6.573715      3.704032
  C      -9.152163      6.224467      2.381673
  C      -7.867452      6.269328      1.791499
  C      -6.769754      6.659565      2.530805
  C      -6.917939      7.024964      3.891927
  C      -5.787182      2.923232      6.516493
  C      -6.662808      4.179406      6.566066
  C      -8.159958      3.896730      6.488221
  C      -8.670441      3.500582      5.124287
  N      -7.797795      3.322412      4.140340
  C      -8.288284      2.985841      2.913945
  N      -9.547756      2.814366      2.571874
  C     -10.470985      2.999832      3.565213
  C     -11.846481      2.850750      3.264723
  C     -12.793637      3.042617      4.249811
  C     -12.405067      3.387396      5.565421
  C     -11.070248      3.537395      5.884715
  C     -10.075230      3.347161      4.894057
  H      -3.700665      1.180356      2.415745
  H      -4.688259      2.213211      3.421037
  H      -4.757610      0.337863      5.187891
  H      -4.014402     -0.730138      3.981275
  H      -6.508499     -0.911452      3.976596
  H      -6.650601      0.829847      3.670439
  H      -6.216518      1.526529     -0.724709
  H      -5.324790     -2.864545     -1.732663
  H      -4.978972     -4.937303     -0.378582
  H      -5.101754     -4.844569      2.105418
  H      -5.564884     -2.713604      3.259699
  H      -4.139606      5.984494      6.474764
  H      -2.528931      6.528060      6.980241
  H      -2.398641      7.909567      4.840744
  H      -3.631742      8.420724      6.009430
  H      -4.361228      8.354246      3.524658
  H      -4.231998      6.604247      3.616873
  H      -7.487230      7.985819      7.508578
  H     -10.309057      6.544922      4.180204
  H     -10.005449      5.900534      1.784550
  H      -7.748530      5.988535      0.744000
  H      -5.786180      6.701074      2.061231
  H      -5.974860      2.294310      7.406177
  H      -6.085681      2.333807      5.636451
  H      -6.446835      4.741228      7.488023
  H      -6.373887      4.819277      5.718257
  H      -8.447971      3.113840      7.212829
  H      -8.713575      4.797411      6.798816
  H      -7.536122      2.819263      2.136198
  H     -12.123426      2.585427      2.243543
  H     -13.853417      2.929210      4.015770
  H     -13.168253      3.537822      6.330299
  H     -10.781768      3.809501      6.900151
  N      -3.035027      4.301220      2.484636
  H      -2.471001      5.155489      2.484699
  H      -3.892544      4.514904      1.967467
  H      -2.525906      3.599369      1.938975
99
Coordinates from ORCA-job orca E -6204.769637064070
  N      -2.757741      1.886834      4.180188
  Mo     -3.458267      3.611973      4.713521
  N      -4.360160      3.243198      6.412282
  C      -3.608499      3.257425      7.663684
  C      -2.307422      2.459714      7.513568
  N      -1.543737      2.928744      6.349747
  C      -0.824385      1.887874      5.605979
  C      -1.817752      1.012733      4.850058
  C      -0.787849      4.167197      6.561983
  C      -1.097134      5.135059      5.405021
  N      -2.543413      5.253298      5.285057
  H      -1.278769      0.375268      4.125808
  H      -2.343330      0.331665      5.545580
  H      -0.174783      2.398379      4.880280
  H      -0.179883      1.272277      6.261196
  H      -0.625122      6.117265      5.577525
  H      -0.671823      4.731085      4.470662
  H      -1.118364      4.622370      7.506201
  H       0.295437      3.973734      6.646031
  H      -4.203071      2.817091      8.481667
  H      -3.372034      4.293535      7.967371
  H      -2.561850      1.403229      7.352586
  H      -1.707774      2.523396      8.440402
  C      -3.916654      1.367083      3.480224
  C      -4.637961      0.173244      4.105654
  C      -6.027234     -0.043176      3.473581
  C      -5.962921     -0.261199      1.985334
  N      -6.119998      0.811521      1.213669
  C      -6.030879      0.631989     -0.132746
  N      -5.790403     -0.488756     -0.781227
  C      -5.618768     -1.604767     -0.010361
  C      -5.355170     -2.844765     -0.641869
  C      -5.175773     -3.981867      0.117827
  C      -5.253761     -3.926796      1.530140
  C      -5.511870     -2.732638      2.171098
  C      -5.699811     -1.545103      1.418165
  C      -3.147472      6.324862      6.082552
  C      -3.345424      7.617399      5.278733
  C      -4.428743      7.486164      4.213059
  C      -5.839290      7.431056      4.749362
  N      -6.040294      7.775978      6.014052
  C      -7.314417      7.715367      6.487303
  N      -8.397227      7.341045      5.837054
  C      -8.220544      6.991074      4.525907
  C      -9.343246      6.586364      3.763079
  C      -9.187721      6.229226      2.440213
  C      -7.911138      6.262340      1.832255
  C      -6.800737      6.649075      2.554607
  C      -6.927785      7.021619      3.916135
  C      -5.787203      2.929823      6.492743
  C      -6.667109      4.183422      6.540805
  C      -8.164165      3.898875      6.464852
  C      -8.678632      3.498076      5.103621
  N      -7.809416      3.316785      4.117051
  C      -8.303881      2.974006      2.893825
  N      -9.564475      2.799598      2.557270
  C     -10.483958      2.988886      3.553120
  C     -11.860492      2.840661      3.257080
  C     -12.804671      3.037058      4.244104
  C     -12.411787      3.384509      5.557795
  C     -11.075859      3.533615      5.872771
  C     -10.083994      3.341261      4.879331
  H      -3.687438      1.172250      2.416857
  H      -4.672177      2.215509      3.413812
  H      -4.764780      0.343977      5.185849
  H      -4.021918     -0.731139      3.984675
  H      -6.516767     -0.894478      3.966392
  H      -6.644892      0.847635      3.656484
  H      -6.177841      1.532498     -0.737827
  H      -5.303402     -2.865462     -1.731188
  H      -4.975006     -4.936700     -0.370749
  H      -5.113017     -4.838677      2.112248
  H      -5.575179     -2.703239      3.259324
  H      -4.123904      5.986501      6.462073
  H      -2.513632      6.538236      6.961891
  H      -2.392929      7.898215      4.802857
  H      -3.613846      8.420363      5.979383
  H      -4.369370      8.325512      3.498607
  H      -4.245871      6.576446      3.616503
  H      -7.441851      8.007422      7.534516
  H     -10.317749      6.567993      4.252163
  H     -10.051518      5.908537      1.856613
  H      -7.808652      5.977043      0.784226
  H      -5.823863      6.682519      2.071030
  H      -5.977750      2.296662      7.378864
  H      -6.079238      2.343877      5.608471
  H      -6.452565      4.746494      7.462637
  H      -6.379472      4.823939      5.693078
  H      -8.451662      3.120742      7.194612
  H      -8.716616      4.801922      6.771192
  H      -7.554125      2.802136      2.115137
  H     -12.140592      2.572269      2.237521
  H     -13.865266      2.924638      4.013367
  H     -13.172445      3.537865      6.324638
  H     -10.784351      3.807860      6.886791
  N      -3.006626      4.291305      2.475869
  H      -2.471737      5.163978      2.476609
  H      -3.861838      4.470546      1.942335
  H      -2.464547      3.600766      1.947693
99
Coordinates from ORCA-job orca E -6204.769661973291
  N      -2.756835      1.878941      4.190827
  Mo     -3.457412      3.606059      4.717769
  N      -4.360426      3.243416      6.417186
  C      -3.609930      3.262044      7.669116
  C      -2.309355      2.463042      7.522472
  N      -1.544971      2.927593      6.357421
  C      -0.825761      1.883447      5.618320
  C      -1.819166      1.006187      4.865042
  C      -0.788583      4.166433      6.565762
  C      -1.095940      5.130602      5.405081
  N      -2.541941      5.248841      5.283203
  H      -1.279815      0.365550      4.143827
  H      -2.345968      0.327995      5.562585
  H      -0.175018      2.390631      4.891342
  H      -0.182534      1.269739      6.276601
  H      -0.624087      6.113294      5.575200
  H      -0.669651      4.723729      4.472476
  H      -1.119932      4.625068      7.508029
  H       0.294505      3.972576      6.651739
  H      -4.205473      2.825174      8.488278
  H      -3.373230      4.299248      7.968707
  H      -2.564106      1.406060      7.365383
  H      -1.709859      2.530041      8.449159
  C      -3.914667      1.359034      3.489988
  C      -4.639897      0.167836      4.116293
  C      -6.029938     -0.043107      3.483818
  C      -5.966112     -0.249710      1.993975
  N      -6.125097      0.829141      1.231366
  C      -6.035130      0.661233     -0.116351
  N      -5.792806     -0.453518     -0.774244
  C      -5.620179     -1.575958     -0.012985
  C      -5.354724     -2.810079     -0.655140
  C      -5.174313     -3.953442      0.094744
  C      -5.253424     -3.910751      1.507360
  C      -5.513431     -2.722572      2.158586
  C      -5.702086     -1.528682      1.415974
  C      -3.147084      6.324405      6.074051
  C      -3.344920      7.612132      5.262277
  C      -4.427083      7.474348      4.195891
  C      -5.838575      7.421529      4.730448
  N      -6.041479      7.770758      5.993686
  C      -7.316545      7.713857      6.464952
  N      -8.398884      7.339543      5.814168
  C      -8.220458      6.985977      4.504123
  C      -9.342734      6.582136      3.740418
  C      -9.185746      6.221585      2.418687
  C      -7.907848      6.249266      1.812953
  C      -6.797525      6.634930      2.536173
  C      -6.926325      7.011734      3.896432
  C      -5.787464      2.931167      6.497901
  C      -6.666001      4.185189      6.548974
  C      -8.163050      3.900198      6.476538
  C      -8.678773      3.501442      5.115396
  N      -7.809630      3.324114      4.128199
  C      -8.303813      2.982122      2.904747
  N      -9.564140      2.805592      2.568519
  C     -10.483537      2.989695      3.565410
  C     -11.859727      2.836266      3.270266
  C     -12.803814      3.026027      4.258650
  C     -12.411048      3.371743      5.572853
  C     -11.075466      3.525997      5.886871
  C     -10.083748      3.340383      4.892102
  H      -3.683501      1.161341      2.427610
  H      -4.668581      2.208023      3.419535
  H      -4.766168      0.338917      5.196431
  H      -4.026940     -0.738609      3.995082
  H      -6.520123     -0.897473      3.970622
  H      -6.646655      0.847084      3.673199
  H      -6.183510      1.566649     -0.713818
  H      -5.302316     -2.821264     -1.744538
  H      -4.972090     -4.903744     -0.401971
  H      -5.111935     -4.827479      2.081563
  H      -5.577629     -2.702894      3.246957
  H      -4.124010      5.987729      6.453988
  H      -2.514671      6.543049      6.953100
  H      -2.392157      7.891146      4.785992
  H      -3.614460      8.418796      5.958279
  H      -4.366953      8.309304      3.476436
  H      -4.243781      6.561300      3.604580
  H      -7.445051      8.009787      7.511001
  H     -10.318209      6.567045      4.227918
  H     -10.049483      5.901847      1.834492
  H      -7.804249      5.960573      0.765973
  H      -5.819589      6.664091      2.054220
  H      -5.978098      2.296166      7.382720
  H      -6.080427      2.347381      5.612314
  H      -6.448925      4.748184      7.470265
  H      -6.380410      4.825578      5.700741
  H      -8.447959      3.119955      7.205062
  H      -8.715654      4.802066      6.786408
  H      -7.553851      2.816983      2.125069
  H     -12.139608      2.569038      2.250340
  H     -13.864172      2.909794      4.028608
  H     -13.171581      3.519468      6.340917
  H     -10.784251      3.798487      6.901501
  N      -3.004000      4.275098      2.477611
  H      -2.485243      5.157475      2.474973
  H      -3.858596      4.433955      1.936709
  H      -2.445497      3.590101      1.959636
99
Coordinates from ORCA-job orca E -6204.769683029242
  N      -2.754620      1.869993      4.195732
  Mo     -3.458557      3.597672      4.718430
  N      -4.360551      3.237971      6.418947
  C      -3.611650      3.262943      7.671676
  C      -2.309978      2.465404      7.528564
  N      -1.546585      2.926263      6.361565
  C      -0.827143      1.879468      5.626703
  C      -1.819866      0.999526      4.875969
  C      -0.791057      4.166338      6.564926
  C      -1.099070      5.127036      5.401373
  N      -2.545098      5.243457      5.278810
  H      -1.279009      0.355330      4.158964
  H      -2.347943      0.324285      5.575591
  H      -0.175028      2.383636      4.898904
  H      -0.185238      1.267393      6.287934
  H      -0.628892      6.110780      5.570003
  H      -0.671695      4.719120      4.469809
  H      -1.122148      4.627804      7.505929
  H       0.292201      3.973295      6.651156
  H      -4.207686      2.828802      8.491924
  H      -3.376756      4.301889      7.966367
  H      -2.562504      1.407154      7.376722
  H      -1.710096      2.538200      8.454547
  C      -3.912660      1.350619      3.496227
  C      -4.640805      0.161092      4.122847
  C      -6.031160     -0.046446      3.489222
  C      -5.965869     -0.244851      1.998190
  N      -6.127475      0.837684      1.241429
  C      -6.034925      0.677869     -0.106977
  N      -5.788006     -0.432135     -0.770883
  C      -5.613927     -1.558611     -0.015965
  C      -5.344394     -2.788184     -0.665080
  C      -5.163046     -3.935587      0.078281
  C      -5.245693     -3.901616      1.490851
  C      -5.509649     -2.717999      2.148765
  C      -5.698749     -1.519978      1.413087
  C      -3.151145      6.320901      6.066403
  C      -3.346109      7.607635      5.251798
  C      -4.428182      7.471339      4.184904
  C      -5.840221      7.419912      4.718517
  N      -6.044330      7.772785      5.980668
  C      -7.319648      7.717792      6.451206
  N      -8.401730      7.342086      5.800888
  C      -8.222002      6.984536      4.492022
  C      -9.343771      6.578932      3.728679
  C      -9.185643      6.214545      2.408153
  C      -7.906909      6.238298      1.803651
  C      -6.796784      6.624953      2.526578
  C      -6.927107      7.007407      3.885125
  C      -5.788022      2.928394      6.500860
  C      -6.663421      4.184010      6.554347
  C      -8.160963      3.900065      6.486048
  C      -8.678902      3.503357      5.125270
  N      -7.810184      3.325422      4.137971
  C      -8.305170      2.986756      2.914014
  N      -9.565800      2.813013      2.577860
  C     -10.484701      2.997010      3.575154
  C     -11.861134      2.844636      3.280365
  C     -12.804698      3.033038      4.269486
  C     -12.410990      3.376599      5.584008
  C     -11.075212      3.530257      5.897490
  C     -10.084054      3.345130      4.902236
  H      -3.682517      1.152314      2.433812
  H      -4.665056      2.201043      3.424873
  H      -4.766810      0.331998      5.202931
  H      -4.029709     -0.746571      4.001269
  H      -6.521856     -0.903425      3.971026
  H      -6.647895      0.842867      3.682663
  H      -6.185225      1.586200     -0.699499
  H      -5.289855     -2.792676     -1.754373
  H      -4.957769     -4.882458     -0.423671
  H      -5.103715     -4.821531      2.059780
  H      -5.576952     -2.705421      3.237069
  H      -4.129379      5.986011      6.444620
  H      -2.520812      6.540853      6.946588
  H      -2.392779      7.884251      4.775341
  H      -3.613792      8.416226      5.946345
  H      -4.367085      8.306941      3.466352
  H      -4.246226      6.559232      3.592018
  H      -7.448188      8.016687      7.496481
  H     -10.319796      6.565448      4.215493
  H     -10.049225      5.893919      1.824221
  H      -7.802421      5.944706      0.758142
  H      -5.817945      6.649967      2.045905
  H      -5.978966      2.292116      7.384738
  H      -6.082925      2.346753      5.614333
  H      -6.442802      4.748128      7.474034
  H      -6.379353      4.822542      5.704514
  H      -8.443341      3.117580      7.213163
  H      -8.713010      4.800871      6.800140
  H      -7.554981      2.820606      2.135141
  H     -12.141507      2.578903      2.260206
  H     -13.865244      2.917801      4.039799
  H     -13.171025      3.522824      6.352821
  H     -10.783577      3.800621      6.912626
  N      -3.007501      4.260270      2.477023
  H      -2.519491      5.159976      2.469857
  H      -3.861898      4.383076      1.926160
  H      -2.420256      3.589150      1.972942
99
Coordinates from ORCA-job orca E -6204.769693249917
  N      -2.752090      1.861214      4.203979
  Mo     -3.456186      3.591400      4.719221
  N      -4.361152      3.238792      6.419689
  C      -3.615171      3.270081      7.674134
  C      -2.313682      2.471246      7.537723
  N      -1.548466      2.924923      6.369034
  C      -0.829653      1.872775      5.641068
  C      -1.822525      0.991608      4.891845
  C      -0.791343      4.164948      6.567026
  C      -1.096970      5.121426      5.399279
  N      -2.542732      5.238843      5.274399
  H      -1.280737      0.342169      4.180216
  H      -2.354339      0.321189      5.593356
  H      -0.173839      2.371655      4.913020
  H      -0.191622      1.261923      6.307205
  H      -0.626388      6.105386      5.565609
  H      -0.668395      4.710243      4.469763
  H      -1.122072      4.631074      7.505870
  H       0.291572      3.970608      6.654624
  H      -4.213445      2.840717      8.495221
  H      -3.380396      4.310563      7.963434
  H      -2.566035      1.412068      7.392317
  H      -1.714716      2.549856      8.463813
  C      -3.908620      1.343511      3.501500
  C      -4.643503      0.157128      4.126491
  C      -6.032710     -0.044480      3.488079
  C      -5.963097     -0.236455      1.996304
  N      -6.121057      0.849644      1.243871
  C      -6.022909      0.696286     -0.104822
  N      -5.773117     -0.410546     -0.772906
  C      -5.603292     -1.540783     -0.022576
  C      -5.331584     -2.767344     -0.676434
  C      -5.154975     -3.918564      0.062189
  C      -5.244639     -3.891406      1.474460
  C      -5.510461     -2.710745      2.136951
  C      -5.694714     -1.508977      1.406285
  C      -3.148949      6.320054      6.056791
  C      -3.344522      7.602730      5.235759
  C      -4.429213      7.462163      4.172152
  C      -5.840303      7.414757      4.708743
  N      -6.041338      7.771988      5.970167
  C      -7.315679      7.720312      6.443488
  N      -8.399765      7.344527      5.796485
  C      -8.223180      6.982798      4.488345
  C      -9.347221      6.577071      3.728371
  C      -9.192450      6.209557      2.408325
  C      -7.914999      6.229530      1.801110
  C      -6.802561      6.615602      2.520808
  C      -6.929522      7.001794      3.878635
  C      -5.789205      2.931579      6.501050
  C      -6.662761      4.188423      6.553045
  C      -8.160735      3.904911      6.488326
  C      -8.681617      3.505172      5.129413
  N      -7.815060      3.324785      4.140647
  C      -8.312839      2.982984      2.918615
  N      -9.574153      2.808381      2.585714
  C     -10.490832      2.994347      3.584692
  C     -11.867874      2.840229      3.293645
  C     -12.809171      3.030426      4.284600
  C     -12.412477      3.377915      5.597200
  C     -11.076058      3.533501      5.906984
  C     -10.087194      3.346224      4.909888
  H      -3.675510      1.143321      2.440101
  H      -4.658213      2.196421      3.426167
  H      -4.772052      0.328702      5.206141
  H      -4.035628     -0.752967      4.006933
  H      -6.527094     -0.902294      3.964599
  H      -6.647851      0.845493      3.683162
  H      -6.170552      1.607478     -0.693624
  H      -5.271901     -2.766497     -1.765466
  H      -4.948160     -4.863190     -0.443354
  H      -5.106572     -4.814269      2.039582
  H      -5.583414     -2.703708      3.224962
  H      -4.127152      5.987065      6.436721
  H      -2.518750      6.544441      6.935916
  H      -2.392048      7.875617      4.755414
  H      -3.609437      8.415626      5.926340
  H      -4.368875      8.294133      3.449262
  H      -4.250046      6.547138      3.582951
  H      -7.441245      8.022569      7.488133
  H     -10.322217      6.566062      4.217315
  H     -10.057853      5.889409      1.826798
  H      -7.813377      5.932681      0.756230
  H      -5.824501      6.636271      2.038458
  H      -5.981492      2.295949      7.385177
  H      -6.084286      2.349752      5.614767
  H      -6.439941      4.755206      7.470482
  H      -6.379777      4.824015      5.700591
  H      -8.441074      3.123054      7.216996
  H      -8.712472      4.805634      6.802874
  H      -7.564036      2.816507      2.138353
  H     -12.150503      2.571656      2.274858
  H     -13.870185      2.913744      4.057871
  H     -13.170771      3.525579      6.367460
  H     -10.782246      3.807008      6.920651
  N      -3.000552      4.243953      2.476370
  H      -2.539043      5.157420      2.464255
  H      -3.851598      4.334932      1.914320
  H      -2.387877      3.584571      1.987121
99
Coordinates from ORCA-job orca E -6204.769701577638
  N      -2.749660      1.857659      4.205336
  Mo     -3.454942      3.588152      4.718952
  N      -4.360571      3.237461      6.419618
  C      -3.615971      3.272171      7.674871
  C      -2.313744      2.474197      7.541569
  N      -1.548772      2.924329      6.371218
  C      -0.830416      1.869314      5.646638
  C      -1.823598      0.988045      4.897708
  C      -0.790970      4.164509      6.565948
  C      -1.097184      5.119296      5.397030
  N      -2.542992      5.237081      5.272238
  H      -1.281382      0.335319      4.189404
  H      -2.357985      0.320728      5.600262
  H      -0.172135      2.365329      4.918889
  H      -0.194975      1.258574      6.315349
  H      -0.626317      6.103316      5.562444
  H      -0.668691      4.707149      4.467950
  H      -1.119896      4.632619      7.504459
  H       0.291959      3.969776      6.652234
  H      -4.214897      2.844386      8.496268
  H      -3.382163      4.313544      7.961805
  H      -2.564668      1.414087      7.400465
  H      -1.714730      2.557237      8.467206
  C      -3.905941      1.342018      3.501239
  C      -4.643671      0.156185      4.123856
  C      -6.032031     -0.043459      3.482914
  C      -5.960199     -0.235976      1.991228
  N      -6.116166      0.849708      1.237715
  C      -6.015703      0.695389     -0.110739
  N      -5.764499     -0.411915     -0.777602
  C      -5.596964     -1.541736     -0.026129
  C      -5.324560     -2.768845     -0.678621
  C      -5.151065     -3.919915      0.061065
  C      -5.244451     -3.891869      1.473077
  C      -5.510612     -2.710538      2.134286
  C      -5.691693     -1.508988      1.402527
  C      -3.148736      6.319697      6.053262
  C      -3.345307      7.600729      5.230045
  C      -4.432862      7.459368      4.169712
  C      -5.842645      7.414765      4.709620
  N      -6.039913      7.772589      5.971467
  C      -7.313069      7.722451      6.447964
  N      -8.399358      7.348282      5.803508
  C      -8.226544      6.986114      4.495098
  C      -9.353099      6.582007      3.737798
  C      -9.202028      6.214371      2.417375
  C      -7.926018      6.232227      1.807226
  C      -6.811286      6.616236      2.524322
  C      -6.934429      7.002956      3.882306
  C      -5.789098      2.931953      6.500859
  C      -6.661605      4.189700      6.551882
  C      -8.159772      3.906701      6.486756
  C      -8.680820      3.506643      5.127864
  N      -7.814740      3.324982      4.138869
  C      -8.313307      2.982454      2.917264
  N      -9.574770      2.807422      2.585182
  C     -10.491012      2.994665      3.584386
  C     -11.868239      2.840870      3.294196
  C     -12.808984      3.033108      4.285310
  C     -12.411586      3.382580      5.597144
  C     -11.074940      3.537766      5.906162
  C     -10.086618      3.348326      4.908893
  H      -3.672402      1.143161      2.439690
  H      -4.653995      2.197102      3.426389
  H      -4.773715      0.327363      5.203413
  H      -4.036662     -0.754599      4.005122
  H      -6.528507     -0.900523      3.958568
  H      -6.646333      0.847275      3.676814
  H      -6.162197      1.606128     -0.700444
  H      -5.262189     -2.768538     -1.767512
  H      -4.943871     -4.865035     -0.443404
  H      -5.109055     -4.814590      2.039105
  H      -5.586481     -2.703064      3.222106
  H      -4.126431      5.987415      6.435062
  H      -2.517517      6.545735      6.931209
  H      -2.393759      7.870546      4.746018
  H      -3.606958      8.416163      5.918829
  H      -4.373384      8.290438      3.445593
  H      -4.256423      6.543386      3.581116
  H      -7.435526      8.024489      7.492976
  H     -10.326886      6.572385      4.229101
  H     -10.069187      5.895774      1.837616
  H      -7.827553      5.934816      0.762200
  H      -5.834128      6.633977      2.040201
  H      -5.982156      2.296952      7.385301
  H      -6.084396      2.349743      5.614993
  H      -6.438753      4.757135      7.468814
  H      -6.378065      4.824293      5.698675
  H      -8.439928      3.124115      7.214829
  H      -8.711915      4.806781      6.801965
  H      -7.564769      2.814474      2.136822
  H     -12.151466      2.571102      2.275892
  H     -13.870144      2.916435      4.059312
  H     -13.169538      3.532151      6.367376
  H     -10.780561      3.813191      6.919101
  N      -2.997412      4.237772      2.476024
  H      -2.560731      5.163257      2.460186
  H      -3.844839      4.300381      1.904709
  H      -2.362172      3.591332      1.998205
99
Coordinates from ORCA-job orca E -6204.769705415259
  N      -2.747887      1.857098      4.206961
  Mo     -3.453712      3.587486      4.719862
  N      -4.360532      3.237856      6.420312
  C      -3.616508      3.273829      7.675805
  C      -2.313809      2.476460      7.543885
  N      -1.548936      2.924863      6.372643
  C      -0.830334      1.868376      5.650207
  C      -1.823606      0.987034      4.901268
  C      -0.790639      4.165079      6.566089
  C      -1.096926      5.118901      5.396492
  N      -2.542720      5.237182      5.271838
  H      -1.281483      0.332749      4.194386
  H      -2.359482      0.321463      5.604342
  H      -0.170997      2.362987      4.922448
  H      -0.196069      1.258180      6.320443
  H      -0.625376      6.102771      5.560979
  H      -0.668827      4.705706      4.467695
  H      -1.118831      4.634219      7.504347
  H       0.292272      3.970135      6.651843
  H      -4.215491      2.846252      8.497288
  H      -3.383366      4.315508      7.962314
  H      -2.564037      1.415899      7.404765
  H      -1.714860      2.561523      8.469352
  C      -3.903546      1.342481      3.500937
  C      -4.642610      0.156675      4.121676
  C      -6.030314     -0.041623      3.479288
  C      -5.957510     -0.234360      1.987734
  N      -6.110530      0.851633      1.234033
  C      -6.009139      0.697072     -0.114323
  N      -5.759067     -0.410720     -0.780914
  C      -5.594321     -1.540792     -0.029191
  C      -5.323268     -2.768401     -0.681282
  C      -5.152848     -3.919834      0.058605
  C      -5.247880     -3.891570      1.470512
  C      -5.512574     -2.709709      2.131384
  C      -5.690627     -1.507837      1.399387
  C      -3.148203      6.320480      6.052125
  C      -3.345567      7.600527      5.227796
  C      -4.434054      7.457993      4.168595
  C      -5.843318      7.414495      4.709671
  N      -6.039264      7.773573      5.971372
  C      -7.312063      7.723962      6.448995
  N      -8.398918      7.349243      5.805722
  C      -8.227450      6.985897      4.497518
  C      -9.354714      6.581051      3.741556
  C      -9.204867      6.212065      2.421359
  C      -7.929462      6.229806      1.810002
  C      -6.814197      6.614694      2.525746
  C      -6.935962      7.002246      3.883612
  C      -5.789129      2.932555      6.501076
  C      -6.661932      4.190341      6.550294
  C      -8.160128      3.907479      6.485461
  C      -8.681842      3.505783      5.127284
  N      -7.816524      3.321578      4.138096
  C      -8.316126      2.976763      2.917538
  N      -9.577883      2.801639      2.586577
  C     -10.493469      2.992074      3.585826
  C     -11.870971      2.838916      3.296774
  C     -12.810973      3.034743      4.287890
  C     -12.412627      3.387251      5.598582
  C     -11.075651      3.541667      5.906578
  C     -10.088015      3.348579      4.909257
  H      -3.668867      1.144572      2.439441
  H      -4.651024      2.198391      3.426044
  H      -4.773789      0.327426      5.201212
  H      -4.036014     -0.754428      4.003325
  H      -6.528108     -0.898094      3.954598
  H      -6.643865      0.849752      3.672645
  H      -6.153741      1.608070     -0.704119
  H      -5.259524     -2.768167     -1.770104
  H      -4.946757     -4.865336     -0.445599
  H      -5.114995     -4.814528      2.036758
  H      -5.589542     -2.702097      3.219112
  H      -4.125459      5.988282      6.435105
  H      -2.516245      6.547354      6.929341
  H      -2.394315      7.869062      4.742388
  H      -3.606369      8.417144      5.915463
  H      -4.374868      8.288303      3.443551
  H      -4.258222      6.541101      3.581137
  H      -7.433835      8.026857      7.493843
  H     -10.328013      6.571864      4.233760
  H     -10.072420      5.892741      1.842585
  H      -7.832107      5.931904      0.764999
  H      -5.837494      6.632238      2.040762
  H      -5.982708      2.298804      7.386320
  H      -6.083966      2.349045      5.615952
  H      -6.439139      4.758664      7.466685
  H      -6.378411      4.824008      5.696320
  H      -8.440308      3.125545      7.214277
  H      -8.712247      4.807806      6.799765
  H      -7.568394      2.807073      2.136618
  H     -12.155053      2.566984      2.279278
  H     -13.872362      2.918458      4.062746
  H     -13.170084      3.539895      6.368706
  H     -10.780405      3.819541      6.918568
  N      -2.992957      4.233746      2.476276
  H      -2.567202      5.164237      2.458144
  H      -3.837409      4.283198      1.899342
  H      -2.347126      3.592829      2.005166
99
Coordinates from ORCA-job orca E -6204.769707201581
  N      -2.746597      1.859531      4.205463
  Mo     -3.453189      3.588820      4.720794
  N      -4.359910      3.237535      6.421047
  C      -3.615410      3.272521      7.676199
  C      -2.312083      2.476343      7.543102
  N      -1.548115      2.925867      6.371590
  C      -0.829072      1.869954      5.648570
  C      -1.822312      0.988837      4.899247
  C      -0.790003      4.166200      6.565725
  C      -1.097436      5.120683      5.397057
  N      -2.543371      5.238810      5.273511
  H      -1.280536      0.334764      4.191978
  H      -2.358361      0.323366      5.602260
  H      -0.170166      2.365167      4.920817
  H      -0.194430      1.259883      6.318481
  H      -0.625560      6.104431      5.561429
  H      -0.670159      4.707812      4.467718
  H      -1.117549      4.634483      7.504638
  H       0.293032      3.971553      6.650335
  H      -4.213629      2.843348      8.497435
  H      -3.382991      4.313975      7.964193
  H      -2.561457      1.415609      7.403614
  H      -1.712810      2.561456      8.468333
  C      -3.902745      1.345768      3.499305
  C      -4.640487      0.158720      4.118881
  C      -6.028350     -0.040330      3.477388
  C      -5.956833     -0.235536      1.986182
  N      -6.109119      0.849461      1.230878
  C      -6.009821      0.692371     -0.117378
  N      -5.762438     -0.416991     -0.782400
  C      -5.598112     -1.545955     -0.028947
  C      -5.329618     -2.775087     -0.679230
  C      -5.159532     -3.925435      0.062412
  C      -5.252311     -3.894540      1.474433
  C      -5.514577     -2.711180      2.133582
  C      -5.692318     -1.510380      1.399709
  C      -3.148656      6.321581      6.054594
  C      -3.346796      7.601774      5.230910
  C      -4.435122      7.458988      4.171467
  C      -5.844339      7.414490      4.712499
  N      -6.040372      7.772292      5.974558
  C      -7.313250      7.721927      6.452023
  N      -8.399961      7.347789      5.808208
  C      -8.228459      6.985853      4.499646
  C      -9.355671      6.581925      3.743106
  C      -9.205689      6.213903      2.422671
  C      -7.930152      6.231940      1.811584
  C      -6.815015      6.616270      2.527831
  C      -6.936902      7.002754      3.886000
  C      -5.788374      2.931775      6.501592
  C      -6.661825      4.189251      6.550606
  C      -8.159853      3.906326      6.484347
  C      -8.680661      3.505581      5.125598
  N      -7.814847      3.322321      4.136692
  C      -8.313729      2.977934      2.915741
  N      -9.575263      2.802168      2.584138
  C     -10.491432      2.992042      3.582996
  C     -11.868745      2.839092      3.293045
  C     -12.809340      3.034905      4.283604
  C     -12.411832      3.387019      5.594637
  C     -11.075014      3.541073      5.903554
  C     -10.086776      3.348200      4.906753
  H      -3.669007      1.150052      2.437209
  H      -4.650569      2.201848      3.426675
  H      -4.771370      0.328316      5.198662
  H      -4.033072     -0.751708      3.999507
  H      -6.525942     -0.895924      3.954484
  H      -6.641618      0.851443      3.669902
  H      -6.153801      1.602587     -0.708524
  H      -5.267424     -2.776843     -1.768150
  H      -4.955371     -4.872074     -0.440444
  H      -5.119658     -4.816631      2.042138
  H      -5.589604     -2.701457      3.221424
  H      -4.125480      5.988711      6.438105
  H      -2.516042      6.548199      6.931419
  H      -2.395584      7.870649      4.745585
  H      -3.608097      8.418083      5.918715
  H      -4.376230      8.289746      3.446927
  H      -4.258560      6.542283      3.583863
  H      -7.435492      8.023701      7.497133
  H     -10.329054      6.572751      4.235093
  H     -10.073087      5.894969      1.843464
  H      -7.832771      5.934986      0.766324
  H      -5.838217      6.634303      2.043070
  H      -5.981931      2.298369      7.387082
  H      -6.082934      2.347832      5.616657
  H      -6.439984      4.756668      7.467821
  H      -6.377708      4.823809      5.697462
  H      -8.440841      3.124045      7.212476
  H      -8.712140      4.806637      6.798466
  H      -7.565865      2.808684      2.134823
  H     -12.152255      2.567505      2.275293
  H     -13.870600      2.918821      4.057722
  H     -13.169773      3.539748      6.364271
  H     -10.780292      3.818666      6.915769
  N      -2.991230      4.235962      2.477202
  H      -2.571433      5.169156      2.458439
  H      -3.833888      4.278760      1.897129
  H      -2.339667      3.598559      2.009179
99
Coordinates from ORCA-job orca E -6204.769708434200
  N      -2.746038      1.860901      4.205261
  Mo     -3.453181      3.589504      4.721875
  N      -4.359980      3.237377      6.421960
  C      -3.614989      3.271684      7.676761
  C      -2.311271      2.476297      7.542627
  N      -1.547942      2.926869      6.371021
  C      -0.828284      1.871556      5.647634
  C      -1.821293      0.990102      4.898438
  C      -0.790124      4.167371      6.565802
  C      -1.098067      5.122091      5.397480
  N      -2.544096      5.239849      5.274506
  H      -1.279703      0.336451      4.190681
  H      -2.357006      0.324423      5.601505
  H      -0.170111      2.367386      4.919632
  H      -0.192929      1.262028      6.317309
  H      -0.626184      6.105870      5.561580
  H      -0.671162      4.709296      4.467922
  H      -1.117794      4.635044      7.504967
  H       0.292973      3.973020      6.650190
  H      -4.212534      2.841288      8.497881
  H      -3.383142      4.312978      7.965843
  H      -2.560151      1.415521      7.402575
  H      -1.711729      2.561164      8.467694
  C      -3.902452      1.347318      3.499220
  C      -4.639079      0.159432      4.118352
  C      -6.027114     -0.040152      3.477522
  C      -5.956477     -0.235841      1.986404
  N      -6.108016      0.849279      1.231133
  C      -6.010127      0.691924     -0.117177
  N      -5.765193     -0.417901     -0.782303
  C      -5.601355     -1.546951     -0.028878
  C      -5.335073     -2.776521     -0.679261
  C      -5.165137     -3.926868      0.062374
  C      -5.255922     -3.895603      1.474526
  C      -5.516222     -2.711875      2.133768
  C      -5.693807     -1.511053      1.399883
  C      -3.149327      6.322400      6.055885
  C      -3.346980      7.602980      5.232705
  C      -4.434592      7.460634      4.172322
  C      -5.844059      7.415649      4.712713
  N      -6.040746      7.773515      5.974659
  C      -7.313827      7.722917      6.451604
  N      -8.400115      7.348262      5.807453
  C      -8.227980      6.986142      4.498986
  C      -9.354698      6.581498      3.742164
  C      -9.204070      6.213034      2.421925
  C      -7.928300      6.231406      1.811291
  C      -6.813598      6.616566      2.527817
  C      -6.936160      7.003413      3.885849
  C      -5.788308      2.931200      6.502545
  C      -6.662143      4.188433      6.550964
  C      -8.160075      3.905407      6.484375
  C      -8.680480      3.504650      5.125523
  N      -7.814297      3.321714      4.136912
  C      -8.312624      2.977311      2.915788
  N      -9.574010      2.801319      2.583702
  C     -10.490570      2.991005      3.582237
  C     -11.867737      2.837822      3.291704
  C     -12.808769      3.033389      4.281898
  C     -12.411839      3.385319      5.593158
  C     -11.075162      3.539514      5.902637
  C     -10.086500      3.346988      4.906204
  H      -3.669331      1.152830      2.436783
  H      -4.650762      2.203103      3.427833
  H      -4.769699      0.328164      5.198304
  H      -4.031015     -0.750460      3.998099
  H      -6.524318     -0.895579      3.955333
  H      -6.640370      0.851652      3.670052
  H      -6.153344      1.602338     -0.708233
  H      -5.274267     -2.778577     -1.768256
  H      -4.962610     -4.873800     -0.440585
  H      -5.123291     -4.817684      2.042238
  H      -5.589669     -2.701764      3.221714
  H      -4.126227      5.989393      6.439087
  H      -2.516747      6.548501      6.932879
  H      -2.395423      7.872314      4.748331
  H      -3.609003      8.418773      5.920849
  H      -4.375331      8.291798      3.448335
  H      -4.257438      6.544163      3.584556
  H      -7.436720      8.024774      7.496644
  H     -10.328269      6.572146      4.233798
  H     -10.071096      5.893369      1.842561
  H      -7.830438      5.934117      0.766173
  H      -5.836617      6.635065      2.043387
  H      -5.981788      2.298441      7.388506
  H      -6.082729      2.346577      5.617975
  H      -6.440660      4.755756      7.468360
  H      -6.377851      4.823120      5.698046
  H      -8.441489      3.123447      7.212647
  H      -8.712259      4.806036      6.797921
  H      -7.564652      2.808533      2.134947
  H     -12.150813      2.566284      2.273815
  H     -13.869926      2.917274      4.055518
  H     -13.170095      3.537788      6.362533
  H     -10.780843      3.816808      6.915063
  N      -2.990097      4.236009      2.477847
  H      -2.572219      5.170064      2.458454
  H      -3.831675      4.276268      1.895998
  H      -2.336282      3.599432      2.011883
