89
Coordinates from ORCA-job orca E -6086.248413120622
  N      -2.830553      0.631898      5.065732
  Mo     -3.506188      2.511168      5.048774
  N      -5.116823      2.288066      6.158164
  C      -4.970046      2.420332      7.587511
  C      -3.636170      1.794026      8.002872
  N      -2.564437      2.283193      7.120372
  C      -1.508049      1.276926      6.990583
  C      -2.027791      0.103362      6.144809
  C      -2.038758      3.575725      7.597927
  C      -1.992260      4.556853      6.406569
  N      -3.203214      4.347960      5.656957
  H      -1.162801     -0.456962      5.758724
  H      -2.608440     -0.598100      6.766047
  H      -0.670386      1.738947      6.458960
  H      -1.164591      0.927318      7.973897
  H      -1.888909      5.584389      6.773375
  H      -1.129402      4.323144      5.771118
  H      -2.723214      3.983387      8.346372
  H      -1.051858      3.459383      8.055644
  H      -5.781859      1.916721      8.131847
  H      -4.993801      3.483634      7.880571
  H      -3.730028      0.715039      7.871186
  H      -3.406541      2.001522      9.054627
  C      -2.626871     -0.020642      3.800302
  C      -3.579766     -1.212172      3.547668
  C      -4.595943     -0.943955      2.466752
  N      -4.587916      0.259118      1.887673
  C      -5.460619      0.474502      0.899924
  N      -6.313545     -0.364249      0.393179
  C      -6.377457     -1.593818      0.974533
  C      -7.302073     -2.529246      0.494037
  C      -7.385039     -3.774492      1.074181
  C      -6.549639     -4.116588      2.140284
  C      -5.629707     -3.220647      2.628114
  C      -5.514928     -1.938625      2.055759
  C      -4.232244      5.316890      5.856536
  C      -4.152068      6.496846      4.841103
  C      -4.314752      5.986215      3.450016
  N      -5.575398      5.779500      3.058078
  C      -5.773442      5.312787      1.833948
  N      -4.872257      5.006326      0.932072
  C      -3.569887      5.216811      1.285958
  C      -2.562965      4.942369      0.350823
  C      -1.244430      5.179113      0.667468
  C      -0.900348      5.680464      1.923910
  C      -1.866403      5.942588      2.865402
  C      -3.226034      5.719798      2.576281
  C      -6.430101      1.916254      5.707007
  C      -6.324945      0.685685      4.776266
  C      -7.308870      0.712340      3.657269
  N      -7.288528      1.828809      2.928960
  C      -8.141945      1.925098      1.911266
  N      -9.032539      1.054802      1.540636
  C      -9.084490     -0.101597      2.248250
  C     -10.022561     -1.078504      1.878182
  C     -10.096687     -2.259316      2.573384
  C      -9.238459     -2.500203      3.651856
  C      -8.314962     -1.562460      4.036972
  C      -8.213933     -0.333707      3.353487
  H      -2.810848      0.711490      3.011096
  H      -1.583571     -0.368859      3.706480
  H      -4.104680     -1.459415      4.475895
  H      -3.008130     -2.097431      3.256072
  H      -5.424100      1.462148      0.449706
  H      -7.934761     -2.237839     -0.328714
  H      -8.096511     -4.493667      0.700740
  H      -6.627345     -5.097531      2.582643
  H      -4.987083     -3.494962      3.449857
  H      -5.204311      4.831778      5.697625
  H      -4.195901      5.753498      6.866501
  H      -4.975679      7.176229      5.062905
  H      -3.205776      7.020175      4.964777
  H      -6.809704      5.166704      1.545123
  H      -2.856721      4.559758     -0.614820
  H      -0.472965      4.978659     -0.059371
  H       0.137357      5.862568      2.155502
  H      -1.579563      6.326851      3.831071
  H      -7.103365      1.688795      6.547259
  H      -6.894757      2.740133      5.139010
  H      -5.321054      0.779169      4.347728
  H      -6.398296     -0.233707      5.356727
  H      -8.082229      2.845724      1.338756
  H     -10.667186     -0.864280      1.041063
  H     -10.818312     -3.008977      2.289787
  H      -9.306476     -3.434092      4.187481
  H      -7.663055     -1.767584      4.872324
  N      -4.276114      2.727848      3.074651
  H      -5.188122      3.126564      2.825766
  H      -3.798513      2.451387      2.209698
89
Coordinates from ORCA-job orca E -6086.268395838791
  N      -2.759300      0.627027      5.012429
  Mo     -3.468790      2.498952      5.041654
  N      -5.089354      2.248677      6.113848
  C      -4.948029      2.339918      7.558409
  C      -3.620489      1.700521      7.977124
  N      -2.528714      2.220986      7.116582
  C      -1.450679      1.227701      6.967873
  C      -1.949796      0.083364      6.089517
  C      -2.002435      3.509627      7.630225
  C      -1.939792      4.509030      6.458875
  N      -3.158415      4.324768      5.697068
  H      -1.078481     -0.461239      5.692610
  H      -2.527777     -0.640076      6.693115
  H      -0.612127      1.718017      6.455587
  H      -1.107682      0.856455      7.947250
  H      -1.833907      5.532546      6.845533
  H      -1.067809      4.286369      5.824837
  H      -2.692838      3.902317      8.385974
  H      -1.016759      3.376966      8.095541
  H      -5.769959      1.825328      8.077493
  H      -4.970493      3.396991      7.883624
  H      -3.709114      0.621164      7.816475
  H      -3.402938      1.880487      9.040159
  C      -2.551835     -0.031677      3.727433
  C      -3.484311     -1.260532      3.548916
  C      -4.577856     -1.115153      2.513141
  N      -4.674983      0.030378      1.846129
  C      -5.648180      0.141710      0.918915
  N      -6.510923     -0.773533      0.554546
  C      -6.460642     -1.956361      1.234254
  C      -7.396613     -2.962616      0.928545
  C      -7.380341     -4.153471      1.623044
  C      -6.423746     -4.380925      2.629382
  C      -5.491208     -3.416063      2.945259
  C      -5.484528     -2.180334      2.257168
  C      -4.187523      5.311559      5.928171
  C      -4.112152      6.536339      4.963292
  C      -4.330649      6.120409      3.542482
  N      -5.608188      5.976562      3.182769
  C      -5.866295      5.589755      1.924023
  N      -4.996697      5.312698      0.973063
  C      -3.678244      5.461391      1.303395
  C      -2.700855      5.203665      0.322340
  C      -1.364078      5.370035      0.618827
  C      -0.964590      5.788509      1.900942
  C      -1.899561      6.033754      2.884166
  C      -3.278204      5.876133      2.615949
  C      -6.408488      1.906264      5.596877
  C      -6.346838      0.723013      4.593127
  C      -7.322204      0.844280      3.460347
  N      -7.262355      1.990282      2.777307
  C      -8.113835      2.160319      1.748266
  N      -9.028119      1.320680      1.325766
  C      -9.108430      0.131055      1.984570
  C     -10.051382     -0.825766      1.551265
  C     -10.140607     -2.043825      2.187322
  C      -9.302924     -2.342362      3.278697
  C      -8.378603     -1.427260      3.726326
  C      -8.252894     -0.166681      3.095878
  H      -2.765433      0.677208      2.918397
  H      -1.503113     -0.357557      3.621450
  H      -3.958383     -1.473972      4.517411
  H      -2.894576     -2.147868      3.281262
  H      -5.696076      1.099914      0.394803
  H      -8.126908     -2.759859      0.150399
  H      -8.115903     -4.920583      1.393112
  H      -6.425162     -5.325942      3.166998
  H      -4.760723     -3.598441      3.729169
  H      -5.173383      4.849076      5.772023
  H      -4.126564      5.705704      6.956327
  H      -4.920356      7.221278      5.241884
  H      -3.149018      7.038992      5.096291
  H      -6.922696      5.488289      1.660538
  H      -3.034652      4.885511     -0.662101
  H      -0.615283      5.178229     -0.143762
  H       0.093165      5.917918      2.116654
  H      -1.572403      6.351241      3.870383
  H      -7.096942      1.660303      6.419057
  H      -6.842632      2.767982      5.061797
  H      -5.340562      0.792844      4.163833
  H      -6.455837     -0.228430      5.121811
  H      -8.022964      3.110265      1.214034
  H     -10.681494     -0.568816      0.704289
  H     -10.855022     -2.786937      1.843948
  H      -9.383857     -3.309375      3.768648
  H      -7.735150     -1.679862      4.564889
  N      -4.221179      2.764133      3.131163
  H      -5.136124      3.159277      2.902172
  H      -3.741851      2.516512      2.262931
89
Coordinates from ORCA-job orca E -6086.281388576442
  N      -2.714154      0.620010      5.093611
  Mo     -3.445629      2.482221      5.084647
  N      -5.080310      2.270941      6.125974
  C      -4.952629      2.401601      7.578396
  C      -3.645071      1.752328      8.040024
  N      -2.526570      2.245575      7.182294
  C      -1.440384      1.241094      7.066863
  C      -1.920895      0.087481      6.198725
  C      -1.995411      3.552026      7.676000
  C      -1.907350      4.519826      6.481985
  N      -3.128869      4.322759      5.708808
  H      -1.039944     -0.458884      5.823789
  H      -2.509481     -0.634419      6.799081
  H      -0.592736      1.727267      6.558371
  H      -1.109498      0.890114      8.061100
  H      -1.801685      5.555550      6.843827
  H      -1.023311      4.281513      5.864406
  H      -2.696481      3.964923      8.415381
  H      -1.015978      3.420676      8.162751
  H      -5.792156      1.910504      8.093288
  H      -4.967073      3.468816      7.877675
  H      -3.741315      0.666542      7.905861
  H      -3.441795      1.956566      9.104649
  C      -2.475095     -0.050618      3.796193
  C      -3.415900     -1.260249      3.541513
  C      -4.433347     -1.030256      2.437893
  N      -4.417549      0.141474      1.822551
  C      -5.319168      0.369117      0.827446
  N      -6.209955     -0.481694      0.354621
  C      -6.272539     -1.696794      0.983170
  C      -7.255175     -2.626278      0.569026
  C      -7.376149     -3.839355      1.215277
  C      -6.502469     -4.179935      2.278207
  C      -5.522846     -3.296046      2.697457
  C      -5.385893     -2.031265      2.065818
  C      -4.177612      5.318076      5.906221
  C      -4.131038      6.512271      4.906586
  C      -4.362075      6.039946      3.498399
  N      -5.638296      5.839898      3.168145
  C      -5.906754      5.378409      1.916652
  N      -5.033459      5.087858      0.963708
  C      -3.717311      5.298797      1.273112
  C      -2.733733      5.025412      0.290430
  C      -1.397710      5.245242      0.568353
  C      -0.996199      5.736507      1.836118
  C      -1.934340      5.999083      2.817949
  C      -3.314488      5.787010      2.565306
  C      -6.408634      1.924202      5.590091
  C      -6.415071      0.690109      4.647151
  C      -7.395027      0.774691      3.508632
  N      -7.294077      1.845894      2.718546
  C      -8.155782      1.953510      1.670206
  N      -9.107827      1.098870      1.327321
  C      -9.219599     -0.022237      2.104269
  C     -10.183535     -1.007993      1.765106
  C     -10.290586     -2.160512      2.521045
  C      -9.462128     -2.361686      3.651965
  C      -8.520120     -1.420676      4.008336
  C      -8.366860     -0.233063      3.244961
  H      -2.653435      0.661867      2.977197
  H      -1.424337     -0.377363      3.731645
  H      -3.954663     -1.487840      4.477203
  H      -2.834919     -2.162006      3.283431
  H      -5.269245      1.357652      0.350944
  H      -7.921196     -2.337758     -0.248263
  H      -8.165440     -4.534132      0.908166
  H      -6.612227     -5.146819      2.779402
  H      -4.861644     -3.563711      3.527085
  H      -5.160960      4.841936      5.764227
  H      -4.120380      5.732425      6.928340
  H      -4.955085      7.190200      5.173411
  H      -3.174449      7.044631      5.015216
  H      -6.968715      5.217255      1.675073
  H      -3.066653      4.649720     -0.681391
  H      -0.644542      5.039918     -0.197011
  H       0.065923      5.908469      2.037925
  H      -1.608522      6.372996      3.792830
  H      -7.097907      1.733752      6.426052
  H      -6.813021      2.777741      5.019864
  H      -5.416555      0.669422      4.193337
  H      -6.561912     -0.222292      5.238837
  H      -8.031493      2.852824      1.046174
  H     -10.809223     -0.829604      0.885741
  H     -11.007605     -2.938210      2.243380
  H      -9.559497     -3.280643      4.237731
  H      -7.875949     -1.601335      4.872598
  N      -4.167264      2.700680      3.233257
  H      -5.082834      3.088178      2.999781
  H      -3.684819      2.434458      2.376041
89
Coordinates from ORCA-job orca E -6086.289314539466
  N      -2.681947      0.654897      5.049824
  Mo     -3.478843      2.486694      5.079460
  N      -5.098415      2.248448      6.123458
  C      -4.964872      2.365192      7.575974
  C      -3.655148      1.719596      8.027924
  N      -2.539196      2.235266      7.178738
  C      -1.434767      1.251922      7.047339
  C      -1.887491      0.112255      6.150214
  C      -2.018670      3.544123      7.681038
  C      -1.921214      4.506998      6.486099
  N      -3.143059      4.325315      5.709087
  H      -0.996471     -0.411583      5.767610
  H      -2.468746     -0.634125      6.726483
  H      -0.597214      1.769949      6.555082
  H      -1.098866      0.891815      8.035789
  H      -1.811301      5.543944      6.842158
  H      -1.035503      4.266835      5.873536
  H      -2.724043      3.949720      8.419759
  H      -1.043437      3.408587      8.174052
  H      -5.803508      1.864056      8.083492
  H      -4.986778      3.427925      7.884677
  H      -3.735033      0.634431      7.880474
  H      -3.452765      1.912982      9.094041
  C      -2.436980     -0.001546      3.745825
  C      -3.357308     -1.221093      3.493381
  C      -4.381410     -1.017501      2.389856
  N      -4.381802      0.135568      1.741599
  C      -5.307688      0.331417      0.761417
  N      -6.205831     -0.533442      0.334659
  C      -6.244111     -1.731145      0.995443
  C      -7.235819     -2.674614      0.635963
  C      -7.340223     -3.865140      1.324248
  C      -6.438982     -4.172763      2.373081
  C      -5.451013     -3.276465      2.736634
  C      -5.334166     -2.032846      2.063635
  C      -4.182029      5.330402      5.908625
  C      -4.114386      6.520208      4.913930
  C      -4.362173      6.058805      3.504998
  N      -5.640188      5.874503      3.182917
  C      -5.914994      5.404560      1.935645
  N      -5.048964      5.095982      0.984268
  C      -3.730445      5.290361      1.288823
  C      -2.749378      4.984972      0.312185
  C      -1.410564      5.174120      0.593083
  C      -1.001231      5.667765      1.857154
  C      -1.936297      5.964367      2.830223
  C      -3.319580      5.783575      2.572841
  C      -6.422957      1.909401      5.581287
  C      -6.427083      0.679301      4.642761
  C      -7.406701      0.784425      3.507052
  N      -7.279761      1.853470      2.723329
  C      -8.140735      1.981072      1.677360
  N      -9.104740      1.147855      1.326290
  C      -9.236078      0.024965      2.093289
  C     -10.208694     -0.944177      1.736201
  C     -10.334450     -2.102978      2.475324
  C      -9.520202     -2.326543      3.612038
  C      -8.570187     -1.400801      3.986580
  C      -8.394422     -0.208549      3.234803
  H      -2.623149      0.707118      2.927799
  H      -1.380985     -0.307982      3.686420
  H      -3.892551     -1.452440      4.429566
  H      -2.765091     -2.117660      3.246094
  H      -5.277765      1.307343      0.264184
  H      -7.924552     -2.411157     -0.169061
  H      -8.140401     -4.564529      1.066888
  H      -6.535208     -5.121344      2.906979
  H      -4.769457     -3.517455      3.555758
  H      -5.170625      4.864566      5.774836
  H      -4.115999      5.737206      6.932569
  H      -4.923095      7.213238      5.186748
  H      -3.150201      7.036679      5.020159
  H      -6.975985      5.258353      1.700471
  H      -3.087187      4.607128     -0.655366
  H      -0.659406      4.943713     -0.166151
  H       0.062213      5.816020      2.060557
  H      -1.606964      6.339511      3.801337
  H      -7.109779      1.724371      6.420635
  H      -6.819207      2.768878      5.014776
  H      -5.430026      0.642420      4.182702
  H      -6.577528     -0.234609      5.227528
  H      -8.001449      2.877053      1.060375
  H     -10.822979     -0.750075      0.854130
  H     -11.052229     -2.871029      2.178140
  H      -9.633696     -3.250134      4.184504
  H      -7.936152     -1.599766      4.851741
  N      -4.243631      2.697917      3.294409
  H      -5.183659      3.051464      3.092354
  H      -3.780045      2.447634      2.419377
89
Coordinates from ORCA-job orca E -6086.294621679530
  N      -2.627631      0.699713      5.020093
  Mo     -3.511679      2.481342      5.072291
  N      -5.115858      2.201801      6.113937
  C      -4.980464      2.311026      7.566390
  C      -3.660698      1.689535      8.016058
  N      -2.551843      2.237264      7.181545
  C      -1.419313      1.289097      7.041824
  C      -1.829581      0.156863      6.117554
  C      -2.059380      3.555659      7.686178
  C      -1.953614      4.504003      6.483445
  N      -3.167730      4.324242      5.696376
  H      -0.923287     -0.336774      5.730826
  H      -2.397388     -0.617359      6.669307
  H      -0.597436      1.845948      6.567655
  H      -1.077428      0.926914      8.026572
  H      -1.849230      5.546567      6.824253
  H      -1.060513      4.263491      5.883963
  H      -2.777004      3.952316      8.416978
  H      -1.090314      3.428846      8.192756
  H      -5.812799      1.790645      8.066061
  H      -5.025411      3.370315      7.880314
  H      -3.707196      0.604170      7.858037
  H      -3.467409      1.878033      9.084375
  C      -2.383708      0.056772      3.714087
  C      -3.287512     -1.166968      3.463687
  C      -4.321449     -0.955240      2.373660
  N      -4.324299      0.195349      1.719396
  C      -5.270372      0.388057      0.759085
  N      -6.187348     -0.468082      0.364699
  C      -6.217178     -1.662272      1.030366
  C      -7.222798     -2.601972      0.700320
  C      -7.315033     -3.788797      1.395237
  C      -6.391063     -4.096385      2.421607
  C      -5.391962     -3.204053      2.755111
  C      -5.286384     -1.966097      2.073823
  C      -4.203164      5.332939      5.885103
  C      -4.108043      6.511500      4.888594
  C      -4.360072      6.048946      3.481082
  N      -5.637789      5.889744      3.152143
  C      -5.908148      5.411920      1.908832
  N      -5.042633      5.072365      0.972039
  C      -3.723239      5.239135      1.285067
  C      -2.738942      4.891643      0.326196
  C      -1.400358      5.043812      0.622152
  C      -0.992620      5.543643      1.882661
  C      -1.930316      5.884272      2.836081
  C      -3.314037      5.740480      2.562180
  C      -6.436233      1.856247      5.572348
  C      -6.434748      0.632887      4.634048
  C      -7.428976      0.760842      3.513293
  N      -7.305228      1.846083      2.755131
  C      -8.180596      2.000857      1.727017
  N      -9.149918      1.183874      1.370476
  C      -9.276733      0.044440      2.110164
  C     -10.260206     -0.906351      1.740671
  C     -10.387093     -2.080547      2.450013
  C      -9.561004     -2.340462      3.569110
  C      -8.599364     -1.432100      3.955422
  C      -8.424822     -0.222975      3.232464
  H      -2.584273      0.765163      2.900525
  H      -1.321489     -0.225183      3.651863
  H      -3.814801     -1.411961      4.399916
  H      -2.693109     -2.059344      3.210261
  H      -5.247799      1.360925      0.260088
  H      -7.928773     -2.338992     -0.087518
  H      -8.122029     -4.485593      1.162911
  H      -6.477284     -5.041593      2.959109
  H      -4.690726     -3.446100      3.554373
  H      -5.193841      4.870978      5.756415
  H      -4.139547      5.737977      6.909605
  H      -4.902183      7.223298      5.154669
  H      -3.137844      7.012999      4.996205
  H      -6.967872      5.289546      1.669044
  H      -3.074901      4.509943     -0.638612
  H      -0.646167      4.780653     -0.121515
  H       0.070253      5.662890      2.096798
  H      -1.604312      6.264353      3.803910
  H      -7.115295      1.668989      6.417972
  H      -6.838032      2.719041      5.015958
  H      -5.445129      0.590433      4.157955
  H      -6.574146     -0.289283      5.206900
  H      -8.048946      2.907780      1.130710
  H     -10.883837     -0.684880      0.874026
  H     -11.115338     -2.832375      2.142350
  H      -9.676692     -3.275650      4.118224
  H      -7.958407     -1.657699      4.806660
  N      -4.319388      2.647051      3.345139
  H      -5.286800      2.945457      3.164176
  H      -3.870340      2.409174      2.455243
89
Coordinates from ORCA-job orca E -6086.298462089506
  N      -2.606818      0.761403      4.968709
  Mo     -3.548863      2.503759      5.075429
  N      -5.136584      2.184826      6.125843
  C      -4.990188      2.275842      7.578438
  C      -3.662183      1.660774      8.009009
  N      -2.562867      2.234041      7.183797
  C      -1.420066      1.305177      7.017724
  C      -1.811509      0.196716      6.056644
  C      -2.082698      3.550765      7.701995
  C      -1.966362      4.500518      6.502841
  N      -3.176737      4.339309      5.708155
  H      -0.898358     -0.276024      5.659819
  H      -2.374851     -0.600550      6.579402
  H      -0.606348      1.888507      6.562571
  H      -1.072720      0.921234      7.992116
  H      -1.854643      5.543103      6.842192
  H      -1.070962      4.255832      5.908933
  H      -2.806751      3.939337      8.430489
  H      -1.118238      3.421410      8.216971
  H      -5.814793      1.740248      8.075239
  H      -5.044431      3.330354      7.906878
  H      -3.693061      0.578012      7.830601
  H      -3.467718      1.831494      9.080390
  C      -2.368080      0.137979      3.654484
  C      -3.262555     -1.092861      3.397612
  C      -4.306702     -0.910059      2.310385
  N      -4.326670      0.219799      1.618991
  C      -5.290291      0.373031      0.669697
  N      -6.209007     -0.497876      0.320582
  C      -6.218151     -1.672349      1.019857
  C      -7.221115     -2.629543      0.735737
  C      -7.290240     -3.795127      1.467914
  C      -6.345868     -4.063741      2.485240
  C      -5.349542     -3.153975      2.773485
  C      -5.267596     -1.936589      2.054402
  C      -4.201079      5.358687      5.891295
  C      -4.084779      6.528190      4.888919
  C      -4.339480      6.055561      3.485205
  N      -5.617619      5.901323      3.155078
  C      -5.886994      5.400879      1.922404
  N      -5.023000      5.034130      0.996855
  C      -3.702501      5.195253      1.308969
  C      -2.719395      4.816210      0.361729
  C      -1.380640      4.956859      0.660096
  C      -0.971789      5.476225      1.911044
  C      -1.908325      5.850218      2.852271
  C      -3.292468      5.720007      2.575207
  C      -6.459431      1.841528      5.589694
  C      -6.457970      0.611496      4.662736
  C      -7.444642      0.745960      3.534298
  N      -7.297260      1.827613      2.774081
  C      -8.155037      1.989097      1.733730
  N      -9.124158      1.181130      1.365617
  C      -9.274747      0.044582      2.105599
  C     -10.258724     -0.897302      1.718884
  C     -10.409107     -2.068836      2.426895
  C      -9.607088     -2.333570      3.561330
  C      -8.644575     -1.433306      3.964106
  C      -8.445894     -0.228485      3.242330
  H      -2.570225      0.855038      2.848843
  H      -1.302926     -0.133622      3.588801
  H      -3.785134     -1.346411      4.333844
  H      -2.659052     -1.979667      3.147312
  H      -5.283645      1.330948      0.141379
  H      -7.943148     -2.396396     -0.046463
  H      -8.094760     -4.505875      1.274478
  H      -6.413655     -4.993282      3.051047
  H      -4.631075     -3.367207      3.564896
  H      -5.196328      4.905304      5.766855
  H      -4.137743      5.763942      6.916021
  H      -4.867082      7.256382      5.145982
  H      -3.108820      7.017825      4.994976
  H      -6.947778      5.285088      1.683421
  H      -3.056496      4.419782     -0.596364
  H      -0.626234      4.670977     -0.074453
  H       0.091421      5.586244      2.126266
  H      -1.581581      6.247707      3.812167
  H      -7.138583      1.663757      6.437616
  H      -6.858610      2.703626      5.031033
  H      -5.467945      0.554133      4.191102
  H      -6.603215     -0.309857      5.236200
  H      -8.006800      2.892970      1.136723
  H     -10.864094     -0.671805      0.840944
  H     -11.137528     -2.813833      2.105294
  H      -9.741873     -3.266301      4.109460
  H      -8.021042     -1.663274      4.826823
  N      -4.405112      2.674049      3.377251
  H      -5.390896      2.931278      3.219605
  H      -3.975413      2.455413      2.471511
89
Coordinates from ORCA-job orca E -6086.302078873625
  N      -2.560253      0.816513      4.942962
  Mo     -3.572399      2.507497      5.082892
  N      -5.151162      2.146821      6.133689
  C      -5.002450      2.225753      7.587600
  C      -3.663934      1.631234      8.010551
  N      -2.575565      2.235921      7.198506
  C      -1.413639      1.334753      7.020348
  C      -1.771134      0.240967      6.029053
  C      -2.125857      3.559719      7.723997
  C      -1.993930      4.503882      6.523013
  N      -3.190142      4.343442      5.707828
  H      -0.844822     -0.206063      5.632684
  H      -2.327120     -0.578971      6.524014
  H      -0.609190      1.945618      6.585760
  H      -1.064443      0.937049      7.988542
  H      -1.886268      5.549516      6.854933
  H      -1.088004      4.256940      5.946153
  H      -2.868918      3.939713      8.437663
  H      -1.170720      3.442553      8.259560
  H      -5.817162      1.671388      8.080281
  H      -5.075198      3.276262      7.925590
  H      -3.670190      0.550492      7.817062
  H      -3.477079      1.790862      9.085401
  C      -2.327397      0.207947      3.623147
  C      -3.208180     -1.029762      3.354995
  C      -4.263217     -0.843143      2.280779
  N      -4.288132      0.288699      1.591963
  C      -5.266195      0.445758      0.658141
  N      -6.196885     -0.418311      0.325837
  C      -6.200027     -1.595730      1.020680
  C      -7.211013     -2.548172      0.750053
  C      -7.270449     -3.716501      1.478681
  C      -6.309624     -3.991697      2.478588
  C      -5.305487     -3.086202      2.753474
  C      -5.232064     -1.866208      2.037500
  C      -4.215491      5.366661      5.863502
  C      -4.078643      6.524640      4.850660
  C      -4.320992      6.036122      3.449984
  N      -5.596143      5.888555      3.104796
  C      -5.854052      5.368659      1.878464
  N      -4.982304      4.975341      0.971952
  C      -3.663855      5.129020      1.297960
  C      -2.673247      4.718652      0.372304
  C      -1.336868      4.846829      0.687180
  C      -0.938893      5.385123      1.933242
  C      -1.883178      5.791858      2.853155
  C      -3.265024      5.675065      2.559099
  C      -6.479166      1.805955      5.605718
  C      -6.488450      0.577744      4.676994
  C      -7.486301      0.719470      3.556412
  N      -7.350538      1.811026      2.807029
  C      -8.219064      1.983586      1.777536
  N      -9.188580      1.176524      1.410633
  C      -9.329406      0.030819      2.139358
  C     -10.315983     -0.907988      1.753107
  C     -10.458193     -2.086672      2.451900
  C      -9.644323     -2.361202      3.575137
  C      -8.678502     -1.463901      3.976940
  C      -8.488530     -0.252737      3.264779
  H      -2.539598      0.934557      2.828243
  H      -1.258938     -0.048749      3.547986
  H      -3.720881     -1.306277      4.290059
  H      -2.596842     -1.906475      3.088006
  H      -5.263256      1.405083      0.131559
  H      -7.945277     -2.309994     -0.019059
  H      -8.079257     -4.425745      1.297257
  H      -6.370015     -4.924206      3.040439
  H      -4.572972     -3.306450      3.529809
  H      -5.209974      4.913123      5.732268
  H      -4.169416      5.779736      6.886197
  H      -4.855750      7.264767      5.089214
  H      -3.100624      7.009068      4.961894
  H      -6.913730      5.260894      1.628211
  H      -3.002501      4.308408     -0.582746
  H      -0.575284      4.537849     -0.030553
  H       0.122776      5.485069      2.160919
  H      -1.564418      6.205410      3.808994
  H      -7.153279      1.628962      6.457863
  H      -6.880661      2.671178      5.054583
  H      -5.503133      0.515406      4.196420
  H      -6.629651     -0.346847      5.246782
  H      -8.080469      2.895964      1.190351
  H     -10.931538     -0.674183      0.884475
  H     -11.190432     -2.827914      2.130816
  H      -9.773736     -3.298680      4.116506
  H      -8.046440     -1.700756      4.831646
  N      -4.454392      2.654089      3.390655
  H      -5.455480      2.855132      3.235105
  H      -4.026494      2.449050      2.479849
89
Coordinates from ORCA-job orca E -6086.305364354208
  N      -2.525219      0.881477      4.918990
  Mo     -3.602356      2.517729      5.099829
  N      -5.165529      2.113314      6.160207
  C      -5.007855      2.181546      7.615622
  C      -3.656044      1.608574      8.023001
  N      -2.583608      2.242623      7.214388
  C      -1.405556      1.367025      7.016524
  C      -1.737838      0.291614      5.998237
  C      -2.157807      3.572480      7.743790
  C      -2.014163      4.512586      6.542710
  N      -3.201167      4.351079      5.713957
  H      -0.801636     -0.131187      5.597857
  H      -2.285048     -0.549151      6.467880
  H      -0.610634      2.001708      6.598276
  H      -1.049701      0.952432      7.975417
  H      -1.907391      5.560325      6.869120
  H      -1.101515      4.262576      5.977020
  H      -2.916888      3.945341      8.444522
  H      -1.209902      3.466824      8.295889
  H      -5.808168      1.607955      8.109898
  H      -5.097621      3.228087      7.963258
  H      -3.641718      0.530054      7.815291
  H      -3.469401      1.756813      9.100243
  C      -2.305735      0.284521      3.592033
  C      -3.177007     -0.957901      3.317164
  C      -4.238904     -0.769389      2.251346
  N      -4.256863      0.358832      1.556961
  C      -5.236386      0.518046      0.622954
  N      -6.177836     -0.339776      0.300511
  C      -6.186846     -1.515541      0.999545
  C      -7.202240     -2.464620      0.731792
  C      -7.261814     -3.633781      1.459667
  C      -6.298789     -3.911550      2.458215
  C      -5.290763     -3.008648      2.731360
  C      -5.215142     -1.788318      2.014245
  C      -4.226966      5.380392      5.842198
  C      -4.073932      6.523457      4.814181
  C      -4.309449      6.015087      3.418698
  N      -5.582826      5.879518      3.062383
  C      -5.836968      5.339083      1.842840
  N      -4.961585      4.912711      0.953585
  C      -3.644073      5.054120      1.290668
  C      -2.650623      4.607050      0.384801
  C      -1.315053      4.719867      0.711985
  C      -0.921630      5.279207      1.951135
  C      -1.869082      5.722826      2.851745
  C      -3.249960      5.622422      2.545031
  C      -6.497398      1.768591      5.640753
  C      -6.510409      0.537516      4.715179
  C      -7.502849      0.682466      3.588528
  N      -7.359104      1.774906      2.841508
  C      -8.217921      1.952703      1.803388
  N      -9.188326      1.147818      1.428519
  C      -9.340551      0.002859      2.157852
  C     -10.332480     -0.929883      1.768978
  C     -10.489392     -2.104761      2.473569
  C      -9.683165     -2.381869      3.602374
  C      -8.711273     -1.491165      4.005998
  C      -8.508051     -0.283753      3.290562
  H      -2.527343      1.020219      2.807667
  H      -1.235820      0.037111      3.503961
  H      -3.681210     -1.251876      4.252032
  H      -2.558860     -1.826653      3.037167
  H      -5.226196      1.475343      0.091040
  H      -7.937118     -2.225027     -0.037274
  H      -8.070609     -4.344146      1.278326
  H      -6.359510     -4.845828      3.018654
  H      -4.554907     -3.233556      3.504203
  H      -5.222527      4.928971      5.708216
  H      -4.192705      5.805641      6.860520
  H      -4.844412      7.276601      5.034415
  H      -3.091888      7.001157      4.926156
  H      -6.896762      5.241941      1.583814
  H      -2.976832      4.181504     -0.565365
  H      -0.550023      4.383337      0.009408
  H       0.139898      5.366271      2.188545
  H      -1.553310      6.153234      3.802129
  H      -7.169707      1.594970      6.494778
  H      -6.900260      2.632005      5.088504
  H      -5.522563      0.466687      4.238056
  H      -6.657776     -0.386036      5.285756
  H      -8.070694      2.866580      1.218701
  H     -10.943377     -0.693549      0.896824
  H     -11.230300     -2.838833      2.153435
  H      -9.825246     -3.315537      4.148729
  H      -8.086482     -1.728922      4.866594
  N      -4.516934      2.642839      3.419572
  H      -5.529039      2.795036      3.271446
  H      -4.094968      2.450808      2.503325
89
Coordinates from ORCA-job orca E -6086.308304729853
  N      -2.487136      0.950952      4.889187
  Mo     -3.628254      2.529292      5.112009
  N      -5.178140      2.072712      6.176952
  C      -5.015353      2.125634      7.633509
  C      -3.649612      1.577873      8.026448
  N      -2.595396      2.246775      7.223892
  C      -1.399479      1.400565      7.008496
  C      -1.703382      0.345253      5.961475
  C      -2.199796      3.580954      7.763685
  C      -2.044539      4.524916      6.568443
  N      -3.217466      4.357948      5.721082
  H      -0.756135     -0.051259      5.559741
  H      -2.241459     -0.516432      6.402823
  H      -0.613979      2.059854      6.611048
  H      -1.039401      0.967138      7.957399
  H      -1.945501      5.572684      6.896771
  H      -1.123109      4.279010      6.015087
  H      -2.979728      3.940708      8.448179
  H      -1.261877      3.488919      8.335749
  H      -5.799731      1.529033      8.126063
  H      -5.125762      3.165888      7.994148
  H      -3.612706      0.503099      7.801615
  H      -3.464074      1.711992      9.106006
  C      -2.276014      0.367591      3.555405
  C      -3.139250     -0.878313      3.272476
  C      -4.209934     -0.688167      2.215787
  N      -4.227148      0.437513      1.517398
  C      -5.213542      0.600059      0.590555
  N      -6.164149     -0.252607      0.280076
  C      -6.173780     -1.426287      0.982640
  C      -7.196848     -2.370047      0.725907
  C      -7.255244     -3.538287      1.455402
  C      -6.284489     -3.819185      2.446091
  C      -5.269500     -2.920942      2.709428
  C      -5.193813     -1.701867      1.989523
  C      -4.246424      5.389335      5.814998
  C      -4.074957      6.514849      4.770046
  C      -4.289988      5.982581      3.379869
  N      -5.557822      5.848711      3.004389
  C      -5.795816      5.282762      1.792889
  N      -4.908586      4.829559      0.928069
  C      -3.595968      4.970711      1.284170
  C      -2.591042      4.496165      0.405448
  C      -1.259984      4.607521      0.752246
  C      -0.883505      5.192233      1.985148
  C      -1.842678      5.662807      2.859713
  C      -3.219079      5.565072      2.532450
  C      -6.513509      1.725481      5.665535
  C      -6.535431      0.495475      4.736416
  C      -7.534706      0.642663      3.615162
  N      -7.397840      1.738191      2.871673
  C      -8.261147      1.920690      1.838049
  N      -9.234161      1.116825      1.465474
  C      -9.383386     -0.029371      2.193255
  C     -10.381344     -0.958245      1.810746
  C     -10.538521     -2.132742      2.516783
  C      -9.725312     -2.413836      3.639555
  C      -8.746429     -1.527566      4.036505
  C      -8.543187     -0.320350      3.320345
  H      -2.504370      1.112719      2.782444
  H      -1.205117      0.127555      3.456484
  H      -3.633028     -1.189429      4.207504
  H      -2.514655     -1.737804      2.977814
  H      -5.199784      1.554723      0.053929
  H      -7.936902     -2.128075     -0.037505
  H      -8.067485     -4.246511      1.281242
  H      -6.344709     -4.752806      3.007849
  H      -4.527455     -3.149551      3.475461
  H      -5.240373      4.937028      5.670801
  H      -4.231343      5.829887      6.827167
  H      -4.844443      7.275926      4.964290
  H      -3.092036      6.989752      4.889086
  H      -6.851702      5.185746      1.517963
  H      -2.904627      4.051721     -0.540356
  H      -0.485546      4.250956      0.070044
  H       0.174606      5.277456      2.238469
  H      -1.539432      6.113509      3.804897
  H      -7.180750      1.550113      6.522927
  H      -6.921858      2.588670      5.117347
  H      -5.549283      0.422605      4.255063
  H      -6.682755     -0.428327      5.306656
  H      -8.115696      2.837237      1.257088
  H     -10.998673     -0.718631      0.943943
  H     -11.287366     -2.861615      2.203062
  H      -9.868587     -3.346367      4.187760
  H      -8.117076     -1.767535      4.893210
  N      -4.555729      2.642279      3.435467
  H      -5.575018      2.744033      3.285727
  H      -4.127902      2.467405      2.518252
89
Coordinates from ORCA-job orca E -6086.310987721743
  N      -2.460126      1.016831      4.863102
  Mo     -3.661246      2.536756      5.131326
  N      -5.188839      2.030711      6.211786
  C      -5.013758      2.071743      7.667420
  C      -3.632262      1.551451      8.039242
  N      -2.603461      2.253134      7.232717
  C      -1.391228      1.436753      6.996716
  C      -1.673650      0.398648      5.926241
  C      -2.236145      3.592396      7.777848
  C      -2.077516      4.538588      6.585141
  N      -3.240634      4.363032      5.725651
  H      -0.718010      0.027236      5.520241
  H      -2.199889     -0.481449      6.344537
  H      -0.617951      2.118945      6.614693
  H      -1.021849      0.988196      7.934843
  H      -1.986787      5.586699      6.913845
  H      -1.150512      4.297457      6.039062
  H      -3.033632      3.939700      8.448364
  H      -1.306140      3.515794      8.365321
  H      -5.779012      1.453267      8.163120
  H      -5.143055      3.105665      8.039607
  H      -3.574004      0.480440      7.800778
  H      -3.438789      1.675415      9.118652
  C      -2.258534      0.442245      3.523873
  C      -3.113252     -0.807777      3.234997
  C      -4.188032     -0.617347      2.182606
  N      -4.201393      0.504936      1.478519
  C      -5.188861      0.668573      0.553306
  N      -6.145537     -0.180180      0.250530
  C      -6.158552     -1.350477      0.958180
  C      -7.186213     -2.290892      0.707222
  C      -7.246363     -3.457619      1.438761
  C      -6.273719     -3.739389      2.427342
  C      -5.255064     -2.844217      2.685837
  C      -5.176747     -1.627115      1.962845
  C      -4.270197      5.397603      5.786005
  C      -4.078971      6.506060      4.725692
  C      -4.281757      5.957078      3.340091
  N      -5.545647      5.840372      2.946384
  C      -5.774705      5.259507      1.740564
  N      -4.882220      4.776554      0.897202
  C      -3.573111      4.900655      1.271956
  C      -2.563502      4.391167      0.418845
  C      -1.236548      4.482399      0.786112
  C      -0.869000      5.082142      2.014289
  C      -1.832935      5.586569      2.864157
  C      -3.205402      5.508848      2.516181
  C      -6.527062      1.683232      5.710940
  C      -6.552419      0.454946      4.779241
  C      -7.545813      0.609440      3.654723
  N      -7.398004      1.705124      2.913957
  C      -8.250709      1.894178      1.873524
  N      -9.225718      1.096770      1.492315
  C      -9.388926     -0.047711      2.219225
  C     -10.392235     -0.968053      1.830630
  C     -10.565918     -2.139723      2.537221
  C      -9.763600     -2.427250      3.665971
  C      -8.778927     -1.549989      4.068347
  C      -8.559279     -0.345458      3.352490
  H      -2.493436      1.193489      2.759278
  H      -1.186799      0.209753      3.416010
  H      -3.598996     -1.132729      4.169305
  H      -2.481936     -1.658348      2.928969
  H      -5.170634      1.620016      0.011866
  H      -7.927017     -2.048249     -0.055034
  H      -8.060138     -4.164341      1.267265
  H      -6.335359     -4.671607      2.990961
  H      -4.511242     -3.074546      3.449396
  H      -5.263735      4.946627      5.634146
  H      -4.269682      5.853810      6.791046
  H      -4.842883      7.277452      4.899193
  H      -3.092652      6.972629      4.849760
  H      -6.827331      5.174755      1.450065
  H      -2.870099      3.935810     -0.523831
  H      -0.458662      4.098009      0.123789
  H       0.186031      5.151037      2.284134
  H      -1.536583      6.048013      3.806135
  H      -7.190372      1.507031      6.571165
  H      -6.939379      2.545654      5.164543
  H      -5.564636      0.378521      4.302064
  H      -6.706639     -0.468777      5.347806
  H      -8.093553      2.810451      1.295464
  H     -11.001809     -0.723568      0.959919
  H     -11.321410     -2.860141      2.220440
  H      -9.920484     -3.356862      4.215103
  H      -8.158060     -1.794245      4.929830
  N      -4.612326      2.630288      3.468886
  H      -5.637489      2.680899      3.327823
  H      -4.184963      2.471716      2.547680
89
Coordinates from ORCA-job orca E -6086.313426603062
  N      -2.436672      1.097058      4.825416
  Mo     -3.696604      2.555147      5.145800
  N      -5.200439      1.991301      6.238263
  C      -5.013430      2.015173      7.692559
  C      -3.615233      1.525400      8.041430
  N      -2.614965      2.264536      7.232298
  C      -1.385272      1.481002      6.974020
  C      -1.646334      0.464018      5.877602
  C      -2.279086      3.606853      7.789049
  C      -2.119408      4.562224      6.604104
  N      -3.271226      4.377582      5.730663
  H      -0.682638      0.119200      5.467067
  H      -2.160156     -0.434500      6.270898
  H      -0.625020      2.187257      6.610658
  H      -1.006501      1.015118      7.899874
  H      -2.041843      5.609027      6.939479
  H      -1.185689      4.332169      6.064591
  H      -3.095642      3.936445      8.445467
  H      -1.358067      3.545052      8.392687
  H      -5.757299      1.370573      8.187747
  H      -5.164997      3.040055      8.081408
  H      -3.533381      0.459767      7.785512
  H      -3.411650      1.636563      9.120411
  C      -2.244333      0.536408      3.478481
  C      -3.093351     -0.715396      3.181432
  C      -4.176954     -0.521447      2.138322
  N      -4.192996      0.600609      1.433639
  C      -5.186414      0.767271      0.515614
  N      -6.148875     -0.078853      0.221730
  C      -6.158594     -1.248832      0.929587
  C      -7.189387     -2.188355      0.685391
  C      -7.243683     -3.357617      1.413479
  C      -6.263382     -3.641726      2.393944
  C      -5.242791     -2.747438      2.646573
  C      -5.169223     -1.528653      1.925752
  C      -4.300280      5.415041      5.751288
  C      -4.083323      6.498152      4.669911
  C      -4.258307      5.915384      3.294330
  N      -5.513370      5.798388      2.873378
  C      -5.718536      5.180687      1.681776
  N      -4.810295      4.662619      0.876347
  C      -3.509521      4.787503      1.278879
  C      -2.484061      4.240584      0.468667
  C      -1.165830      4.331705      0.865807
  C      -0.822719      4.968061      2.082677
  C      -1.802370      5.508387      2.891314
  C      -3.166581      5.432328      2.511577
  C      -6.541303      1.641083      5.747139
  C      -6.570065      0.417362      4.806481
  C      -7.572702      0.571894      3.690515
  N      -7.436582      1.671579      2.953464
  C      -8.295656      1.861782      1.918915
  N      -9.270113      1.062179      1.541039
  C      -9.424456     -0.084739      2.265670
  C     -10.430217     -1.004985      1.882912
  C     -10.597933     -2.178203      2.587742
  C      -9.785185     -2.469377      3.708368
  C      -8.797496     -1.592600      4.104684
  C      -8.585311     -0.385024      3.391436
  H      -2.486401      1.296595      2.724910
  H      -1.172259      0.310583      3.360507
  H      -3.568127     -1.056283      4.115484
  H      -2.456903     -1.556021      2.858679
  H      -5.169841      1.718895     -0.025558
  H      -7.935481     -1.943991     -0.071318
  H      -8.057037     -4.065273      1.244156
  H      -6.320199     -4.575710      2.955257
  H      -4.492271     -2.980602      3.402746
  H      -5.291948      4.963904      5.588017
  H      -4.319230      5.891637      6.746435
  H      -4.846391      7.277309      4.808661
  H      -3.096203      6.960815      4.803548
  H      -6.764179      5.094652      1.367345
  H      -2.771571      3.757264     -0.466106
  H      -0.375930      3.918900      0.235352
  H       0.225912      5.036373      2.376735
  H      -1.524986      5.998079      3.824815
  H      -7.196092      1.456459      6.612136
  H      -6.964479      2.503628      5.209132
  H      -5.584959      0.347284      4.322287
  H      -6.717812     -0.509162      5.372264
  H      -8.144714      2.781175      1.344098
  H     -11.048160     -0.757909      1.018763
  H     -11.358576     -2.896133      2.277280
  H      -9.937741     -3.400065      4.256999
  H      -8.169493     -1.838326      4.960662
  N      -4.659888      2.640382      3.495025
  H      -5.688770      2.644154      3.357941
  H      -4.228164      2.503765      2.571995
89
Coordinates from ORCA-job orca E -6086.315533437374
  N      -2.414341      1.155516      4.810023
  Mo     -3.726852      2.557100      5.171958
  N      -5.205826      1.945526      6.280333
  C      -5.007657      1.960231      7.732373
  C      -3.593542      1.503309      8.060287
  N      -2.623232      2.272603      7.242533
  C      -1.378170      1.518310      6.969281
  C      -1.621895      0.514598      5.856416
  C      -2.317582      3.620193      7.801916
  C      -2.158772      4.579039      6.619757
  N      -3.299656      4.381239      5.734401
  H      -0.651757      0.189392      5.444894
  H      -2.126210     -0.396016      6.233279
  H      -0.629847      2.243145      6.619286
  H      -0.991401      1.042382      7.886547
  H      -2.096615      5.625555      6.958353
  H      -1.218595      4.360020      6.086883
  H      -3.152491      3.935818      8.441754
  H      -1.406287      3.576250      8.421914
  H      -5.730013      1.292661      8.229208
  H      -5.181096      2.977031      8.133453
  H      -3.489083      0.442316      7.793220
  H      -3.377171      1.609555      9.137188
  C      -2.226934      0.600777      3.460291
  C      -3.075853     -0.649400      3.155129
  C      -4.158345     -0.449575      2.111761
  N      -4.165653      0.671921      1.405531
  C      -5.154197      0.844436      0.484389
  N      -6.120942      0.003538      0.188328
  C      -6.139621     -1.165515      0.897022
  C      -7.174151     -2.100311      0.648960
  C      -7.236008     -3.270500      1.374966
  C      -6.260547     -3.559641      2.358533
  C      -5.237117     -2.670272      2.615548
  C      -5.155530     -1.450877      1.896753
  C      -4.324514      5.423585      5.713954
  C      -4.084873      6.487119      4.615894
  C      -4.250189      5.888209      3.246135
  N      -5.500799      5.790574      2.806521
  C      -5.699684      5.158830      1.621999
  N      -4.789461      4.610265      0.839079
  C      -3.492603      4.715991      1.259509
  C      -2.466036      4.134469      0.475080
  C      -1.152740      4.204883      0.891952
  C      -0.815553      4.855167      2.102899
  C      -1.796307      5.428504      2.886764
  C      -3.155944      5.372897      2.487454
  C      -6.549226      1.596688      5.798029
  C      -6.580541      0.376442      4.851056
  C      -7.581353      0.539665      3.735508
  N      -7.438739      1.642387      3.003752
  C      -8.291948      1.842040      1.967002
  N      -9.268735      1.049021      1.582403
  C      -9.431741     -0.099777      2.302104
  C     -10.441525     -1.012395      1.911836
  C     -10.618560     -2.187694      2.610168
  C      -9.810556     -2.489590      3.731539
  C      -8.819044     -1.620488      4.134943
  C      -8.598003     -0.410370      3.428902
  H      -2.468323      1.367326      2.712880
  H      -1.155073      0.375223      3.339540
  H      -3.548988     -0.999217      4.086403
  H      -2.436833     -1.484515      2.823421
  H      -5.129797      1.795938     -0.056670
  H      -7.915960     -1.852073     -0.110611
  H      -8.050746     -3.975042      1.200623
  H      -6.323144     -4.493892      2.918534
  H      -4.489752     -2.907928      3.373280
  H      -5.315345      4.973660      5.543210
  H      -4.358029      5.919920      6.698802
  H      -4.841262      7.275859      4.734211
  H      -3.093971      6.940200      4.754080
  H      -6.741750      5.085267      1.292663
  H      -2.748552      3.641044     -0.455770
  H      -0.362295      3.764677      0.281074
  H       0.229364      4.907580      2.412537
  H      -1.523535      5.928619      3.815810
  H      -7.199460      1.408299      6.665733
  H      -6.978085      2.459366      5.264635
  H      -5.594560      0.306798      4.368195
  H      -6.731939     -0.551816      5.412798
  H      -8.133368      2.763341      1.397143
  H     -11.055276     -0.757388      1.047141
  H     -11.383608     -2.898598      2.294791
  H      -9.970293     -3.421800      4.275237
  H      -8.194813     -1.873881      4.991371
  N      -4.701429      2.621889      3.527640
  H      -5.731528      2.580092      3.393702
  H      -4.265634      2.499432      2.604163
89
Coordinates from ORCA-job orca E -6086.317306731909
  N      -2.395956      1.221316      4.778583
  Mo     -3.756703      2.566237      5.187485
  N      -5.210084      1.902494      6.306833
  C      -4.999985      1.897523      7.756467
  C      -3.570540      1.473074      8.059797
  N      -2.632031      2.278031      7.238940
  C      -1.370360      1.557215      6.947521
  C      -1.597698      0.571094      5.815520
  C      -2.359773      3.627374      7.810096
  C      -2.202914      4.597980      6.638000
  N      -3.332020      4.391162      5.738575
  H      -0.622510      0.265987      5.400372
  H      -2.091724     -0.351953      6.175345
  H      -0.636362      2.303519      6.613824
  H      -0.974387      1.068966      7.854178
  H      -2.160800      5.641586      6.987894
  H      -1.254661      4.398257      6.111767
  H      -3.214109      3.922873      8.433788
  H      -1.460262      3.598177      8.448135
  H      -5.699302      1.201809      8.247935
  H      -5.197288      2.900938      8.179443
  H      -3.442256      0.419691      7.773514
  H      -3.340027      1.568403      9.134670
  C      -2.220040      0.672397      3.425242
  C      -3.065963     -0.580166      3.118522
  C      -4.154750     -0.381731      2.081411
  N      -4.163327      0.737268      1.371238
  C      -5.152929      0.907780      0.451357
  N      -6.122610      0.067508      0.162230
  C      -6.140609     -1.098681      0.875153
  C      -7.175795     -2.034229      0.631722
  C      -7.234488     -3.204399      1.357931
  C      -6.256280     -3.491904      2.339100
  C      -5.232629     -2.601735      2.592387
  C      -5.153561     -1.382867      1.872431
  C      -4.349704      5.439182      5.677429
  C      -4.084057      6.483199      4.567055
  C      -4.229069      5.862484      3.205302
  N      -5.471485      5.769017      2.741623
  C      -5.652552      5.113833      1.567422
  N      -4.731967      4.540709      0.814835
  C      -3.442874      4.643330      1.258668
  C      -2.406244      4.036546      0.507329
  C      -1.101673      4.100951      0.950898
  C      -0.782699      4.771826      2.155399
  C      -1.773248      5.371154      2.906447
  C      -3.124857      5.320894      2.480031
  C      -6.558488      1.561000      5.834600
  C      -6.597471      0.343992      4.883361
  C      -7.602170      0.512515      3.772358
  N      -7.461608      1.618278      3.044764
  C      -8.313632      1.821922      2.008274
  N      -9.289995      1.029748      1.621506
  C      -9.453537     -0.120692      2.338865
  C     -10.464659     -1.031268      1.947040
  C     -10.642783     -2.207912      2.642548
  C      -9.833584     -2.514215      3.762114
  C      -8.840893     -1.647293      4.166711
  C      -8.620009     -0.435135      3.464377
  H      -2.467780      1.443250      2.684494
  H      -1.148499      0.450100      3.296535
  H      -3.529895     -0.939869      4.050436
  H      -2.423398     -1.407962      2.775383
  H      -5.129701      1.858460     -0.090748
  H      -7.919328     -1.787268     -0.126513
  H      -8.048344     -3.910174      1.184932
  H      -6.316418     -4.425772      2.899830
  H      -4.482348     -2.838601      3.347344
  H      -5.338747      4.990652      5.494368
  H      -4.401390      5.953107      6.652364
  H      -4.838092      7.277369      4.660457
  H      -3.092548      6.931750      4.714985
  H      -6.688577      5.039888      1.219301
  H      -2.674358      3.525984     -0.418304
  H      -0.304366      3.638450      0.366521
  H       0.255845      4.819664      2.486137
  H      -1.514710      5.887900      3.830295
  H      -7.202183      1.369204      6.706650
  H      -6.991772      2.426208      5.309039
  H      -5.613157      0.272732      4.397964
  H      -6.749743     -0.585435      5.442769
  H      -8.154111      2.745086      1.441361
  H     -11.078900     -0.773046      1.083758
  H     -11.410058     -2.916287      2.327287
  H      -9.993907     -3.447563      4.303429
  H      -8.215988     -1.903456      5.021788
  N      -4.731654      2.625530      3.545614
  H      -5.760770      2.539895      3.408020
  H      -4.286748      2.530303      2.621654
89
Coordinates from ORCA-job orca E -6086.318732436343
  N      -2.373592      1.278409      4.753610
  Mo     -3.781576      2.565526      5.203154
  N      -5.206139      1.849031      6.332175
  C      -4.985376      1.825489      7.779714
  C      -3.541276      1.439593      8.060878
  N      -2.637067      2.280446      7.236612
  C      -1.357197      1.597471      6.929607
  C      -1.566652      0.625527      5.782613
  C      -2.401563      3.632192      7.818048
  C      -2.251843      4.614425      6.655939
  N      -3.369520      4.395592      5.743359
  H      -0.586481      0.341062      5.364304
  H      -2.047268     -0.309799      6.129178
  H      -0.641391      2.366876      6.609652
  H      -0.949631      1.101742      7.826938
  H      -2.234890      5.654721      7.017592
  H      -1.294923      4.439663      6.136230
  H      -3.274276      3.905451      8.426542
  H      -1.513913      3.619588      8.473361
  H      -5.658868      1.099106      8.263214
  H      -5.211046      2.813263      8.224815
  H      -3.386282      0.394542      7.757711
  H      -3.297327      1.528087      9.133355
  C      -2.204679      0.731719      3.399064
  C      -3.051499     -0.520541      3.093092
  C      -4.141569     -0.323120      2.057664
  N      -4.142770      0.788875      1.336988
  C      -5.130634      0.957310      0.414747
  N      -6.107701      0.121564      0.135661
  C      -6.133873     -1.037179      0.860443
  C      -7.175019     -1.968640      0.626298
  C      -7.239136     -3.133102      1.361372
  C      -6.262120     -3.418060      2.344398
  C      -5.233275     -2.531493      2.589641
  C      -5.147724     -1.319254      1.859326
  C      -4.378770      5.449017      5.641941
  C      -4.086170      6.478302      4.524520
  C      -4.216045      5.846247      3.166676
  N      -5.451231      5.765189      2.681602
  C      -5.621048      5.098518      1.512144
  N      -4.695143      4.505904      0.781398
  C      -3.412709      4.595672      1.246600
  C      -2.372060      3.963927      0.521762
  C      -1.075451      4.012586      0.989443
  C      -0.767778      4.693010      2.191571
  C      -1.762248      5.316615      2.917049
  C      -3.106803      5.281075      2.466863
  C      -6.559974      1.515279      5.868377
  C      -6.608810      0.298839      4.915916
  C      -7.610732      0.476998      3.803184
  N      -7.459262      1.583227      3.078646
  C      -8.304017      1.796608      2.038083
  N      -9.285639      1.013429      1.646367
  C      -9.463171     -0.135952      2.362528
  C     -10.483304     -1.035071      1.967211
  C     -10.676394     -2.210118      2.661502
  C      -9.872437     -2.526961      3.782306
  C      -8.871433     -1.671258      4.190377
  C      -8.636511     -0.460276      3.490419
  H      -2.453851      1.504957      2.661485
  H      -1.133719      0.508186      3.266733
  H      -3.511795     -0.883261      4.025567
  H      -2.408527     -1.346325      2.745312
  H      -5.100349      1.903139     -0.135410
  H      -7.917454     -1.723873     -0.133918
  H      -8.055887     -3.836739      1.193136
  H      -6.326841     -4.347238      2.912575
  H      -4.483204     -2.766440      3.345606
  H      -5.365974      5.002697      5.444760
  H      -4.449080      5.977666      6.607990
  H      -4.835949      7.278420      4.599814
  H      -3.093635      6.920818      4.683353
  H      -6.652337      5.032104      1.148152
  H      -2.630862      3.445166     -0.401938
  H      -0.275826      3.528264      0.426551
  H       0.265216      4.728526      2.541073
  H      -1.512410      5.840599      3.839205
  H      -7.199359      1.324673      6.744078
  H      -6.993273      2.383230      5.347794
  H      -5.624142      0.217765      4.432523
  H      -6.769708     -0.629822      5.474254
  H      -8.132602      2.718846      1.472763
  H     -11.092895     -0.768928      1.102903
  H     -11.452370     -2.908794      2.345306
  H     -10.044586     -3.459061      4.322338
  H      -8.251956     -1.934700      5.047310
  N      -4.760035      2.612523      3.564573
  H      -5.786047      2.480633      3.425757
  H      -4.310946      2.545246      2.640088
89
Coordinates from ORCA-job orca E -6086.319821706306
  N      -2.360237      1.334735      4.721092
  Mo     -3.804756      2.570523      5.210896
  N      -5.200418      1.803798      6.346699
  C      -4.967689      1.755874      7.791459
  C      -3.510848      1.405898      8.050406
  N      -2.640288      2.281423      7.225652
  C      -1.344784      1.636588      6.900143
  C      -1.540509      0.680102      5.738569
  C      -2.438157      3.631855      7.821886
  C      -2.298363      4.630449      6.674146
  N      -3.407307      4.403728      5.751831
  H      -0.557379      0.415677      5.313961
  H      -2.006240     -0.267223      6.073215
  H      -0.648657      2.428517      6.592525
  H      -0.922952      1.133046      7.786287
  H      -2.305735      5.664890      7.052379
  H      -1.334857      4.483537      6.157849
  H      -3.325594      3.881516      8.419283
  H      -1.560807      3.630852      8.491105
  H      -5.615352      0.998857      8.263494
  H      -5.220071      2.725852      8.260907
  H      -3.332077      0.370116      7.729503
  H      -3.253762      1.486353      9.120294
  C      -2.205182      0.786365      3.366235
  C      -3.050349     -0.469985      3.071257
  C      -4.145694     -0.283674      2.039966
  N      -4.144924      0.817094      1.302482
  C      -5.129794      0.970505      0.374472
  N      -6.106613      0.130682      0.106506
  C      -6.134792     -1.016925      0.848777
  C      -7.172720     -1.953979      0.623405
  C      -7.235631     -3.109653      1.372374
  C      -6.261823     -3.379003      2.362564
  C      -5.236399     -2.486204      2.600176
  C      -5.151545     -1.283196      1.854762
  C      -4.404757      5.463675      5.617017
  C      -4.081665      6.480913      4.497356
  C      -4.193713      5.838628      3.142975
  N      -5.420827      5.767268      2.636189
  C      -5.577293      5.093920      1.468881
  N      -4.644539      4.489354      0.757031
  C      -3.369776      4.567317      1.245033
  C      -2.323988      3.917498      0.544337
  C      -1.036897      3.949758      1.038125
  C      -0.743137      4.633198      2.241727
  C      -1.742412      5.275761      2.943341
  C      -3.078600      5.254832      2.467845
  C      -6.561707      1.483948      5.894047
  C      -6.623769      0.269927      4.939098
  C      -7.627519      0.457415      3.829288
  N      -7.472071      1.566229      3.110059
  C      -8.313559      1.788032      2.068785
  N      -9.297584      1.010230      1.672963
  C      -9.481517     -0.140560      2.385330
  C     -10.504793     -1.033722      1.985194
  C     -10.703544     -2.210625      2.674792
  C      -9.902188     -2.535262      3.795211
  C      -8.898257     -1.685417      4.207965
  C      -8.657718     -0.472847      3.512971
  H      -2.461172      1.558432      2.629616
  H      -1.135307      0.562863      3.225031
  H      -3.501691     -0.832458      4.008009
  H      -2.405688     -1.293719      2.721362
  H      -5.097199      1.907738     -0.189518
  H      -7.912742     -1.721370     -0.142825
  H      -8.049017     -3.818345      1.209524
  H      -6.325819     -4.301088      2.942096
  H      -4.487940     -2.709680      3.361027
  H      -5.390405      5.022445      5.402666
  H      -4.493070      6.002658      6.575980
  H      -4.826403      7.287126      4.554410
  H      -3.088815      6.917152      4.670190
  H      -6.603191      5.033431      1.089056
  H      -2.571361      3.396166     -0.380782
  H      -0.234407      3.448093      0.495508
  H       0.283077      4.656036      2.611388
  H      -1.502872      5.802250      3.866631
  H      -7.195551      1.294936      6.774222
  H      -6.992965      2.356715      5.380409
  H      -5.640413      0.180526      4.453750
  H      -6.790339     -0.658776      5.495760
  H      -8.136348      2.711378      1.506978
  H     -11.112017     -0.761742      1.121177
  H     -11.482491     -2.904385      2.355636
  H     -10.078973     -3.468798      4.331062
  H      -8.281027     -1.954729      5.064608
  N      -4.785649      2.616929      3.572289
  H      -5.807460      2.446518      3.429110
  H      -4.334259      2.590394      2.647026
89
Coordinates from ORCA-job orca E -6086.320676357731
  N      -2.333716      1.375012      4.702639
  Mo     -3.815546      2.560804      5.217916
  N      -5.189214      1.747105      6.349174
  C      -4.954316      1.674090      7.792613
  C      -3.487570      1.362023      8.042062
  N      -2.645248      2.270808      7.223223
  C      -1.332045      1.665852      6.889929
  C      -1.505689      0.722877      5.715037
  C      -2.481078      3.619182      7.835048
  C      -2.345752      4.633675      6.702504
  N      -3.441752      4.398475      5.765577
  H      -0.516936      0.479111      5.290850
  H      -1.956489     -0.236458      6.036556
  H      -0.655881      2.480344      6.597407
  H      -0.900117      1.158064      7.768680
  H      -2.381524      5.661211      7.097701
  H      -1.373074      4.517031      6.195407
  H      -3.386003      3.844309      8.415951
  H      -1.618191      3.629060      8.522886
  H      -5.578368      0.886397      8.246336
  H      -5.238030      2.624412      8.284064
  H      -3.281789      0.335606      7.707555
  H      -3.226040      1.437398      9.111106
  C      -2.184611      0.818794      3.350438
  C      -3.034146     -0.437480      3.067367
  C      -4.128127     -0.258083      2.033879
  N      -4.111934      0.826592      1.273621
  C      -5.093387      0.972456      0.340409
  N      -6.082407      0.141023      0.090763
  C      -6.126666     -0.989978      0.857642
  C      -7.174760     -1.919726      0.648975
  C      -7.249720     -3.061392      1.418256
  C      -6.280882     -3.321885      2.415554
  C      -5.246911     -2.435016      2.638398
  C      -5.147491     -1.248033      1.869581
  C      -4.426058      5.465421      5.598621
  C      -4.073029      6.477006      4.482676
  C      -4.178560      5.839378      3.125545
  N      -5.402582      5.780285      2.609983
  C      -5.556715      5.114875      1.437548
  N      -4.622909      4.512628      0.725177
  C      -3.350774      4.577852      1.222217
  C      -2.304512      3.928317      0.521829
  C      -1.021495      3.943526      1.026554
  C      -0.731203      4.611842      2.239517
  C      -1.730272      5.256078      2.939851
  C      -3.063334      5.250188      2.454611
  C      -6.557152      1.447333      5.899093
  C      -6.636591      0.230212      4.949235
  C      -7.634661      0.424787      3.834788
  N      -7.460495      1.525518      3.107744
  C      -8.290700      1.749855      2.057590
  N      -9.282748      0.982145      1.662191
  C      -9.488948     -0.158343      2.385040
  C     -10.525949     -1.037596      1.989405
  C     -10.749347     -2.202768      2.691372
  C      -9.958163     -2.530000      3.818427
  C      -8.941014     -1.693771      4.226846
  C      -8.676934     -0.492498      3.520781
  H      -2.438945      1.586866      2.609474
  H      -1.116097      0.589406      3.208057
  H      -3.484667     -0.791381      4.007829
  H      -2.392353     -1.266188      2.723438
  H      -5.046291      1.896630     -0.243679
  H      -7.911111     -1.694135     -0.123019
  H      -8.068423     -3.766236      1.265540
  H      -6.355129     -4.232492      3.011897
  H      -4.502049     -2.651968      3.404775
  H      -5.409538      5.030156      5.364727
  H      -4.532944      6.010371      6.552495
  H      -4.810009      7.290876      4.532211
  H      -3.078111      6.903473      4.667745
  H      -6.581073      5.062910      1.052585
  H      -2.548763      3.418035     -0.410236
  H      -0.219777      3.438102      0.486159
  H       0.292356      4.621967      2.617219
  H      -1.492629      5.772364      3.869395
  H      -7.191760      1.269814      6.781199
  H      -6.976483      2.325046      5.384461
  H      -5.653437      0.120860      4.467576
  H      -6.818749     -0.692814      5.510575
  H      -8.095815      2.664922      1.488140
  H     -11.125011     -0.763779      1.120213
  H     -11.541262     -2.884555      2.377909
  H     -10.154668     -3.454218      4.363624
  H      -8.333480     -1.964176      5.090114
  N      -4.786913      2.606061      3.575687
  H      -5.802007      2.396845      3.422497
  H      -4.330952      2.626466      2.653163
89
Coordinates from ORCA-job orca E -6086.321379197733
  N      -2.327242      1.427385      4.672162
  Mo     -3.837856      2.564907      5.220283
  N      -5.179543      1.707608      6.357863
  C      -4.928570      1.603261      7.796782
  C      -3.450665      1.332171      8.024608
  N      -2.646340      2.277117      7.208619
  C      -1.318037      1.717214      6.856966
  C      -1.475325      0.785653      5.671200
  C      -2.519295      3.621448      7.836969
  C      -2.401335      4.653000      6.718852
  N      -3.490741      4.406583      5.775711
  H      -0.483858      0.570339      5.237807
  H      -1.899563     -0.188756      5.984076
  H      -0.668859      2.555715      6.571540
  H      -0.864809      1.209276      7.724712
  H      -2.464025      5.672814      7.130269
  H      -1.423890      4.568410      6.214431
  H      -3.435531      3.818087      8.410384
  H      -1.663886      3.643058      8.533856
  H      -5.522558      0.783369      8.233814
  H      -5.240117      2.530114      8.315457
  H      -3.218464      0.317035      7.673410
  H      -3.177865      1.401048      9.091107
  C      -2.189424      0.866504      3.320666
  C      -3.026192     -0.400999      3.049371
  C      -4.126842     -0.234572      2.021473
  N      -4.117579      0.846619      1.256352
  C      -5.102356      0.982891      0.325262
  N      -6.087678      0.145544      0.081642
  C      -6.123744     -0.983042      0.852707
  C      -7.166251     -1.919922      0.648375
  C      -7.231867     -3.060605      1.419958
  C      -6.259996     -3.311689      2.416515
  C      -5.232116     -2.416688      2.636122
  C      -5.141601     -1.231041      1.864260
  C      -4.459928      5.480620      5.576060
  C      -4.066497      6.476795      4.460748
  C      -4.156149      5.825119      3.109340
  N      -5.371608      5.781246      2.572415
  C      -5.516012      5.110407      1.401846
  N      -4.579495      4.489849      0.709371
  C      -3.315677      4.537586      1.229374
  C      -2.267437      3.869846      0.550078
  C      -0.993929      3.866400      1.078177
  C      -0.715069      4.533619      2.294349
  C      -1.715986      5.196631      2.974113
  C      -3.039475      5.211613      2.463732
  C      -6.557221      1.428707      5.923928
  C      -6.655243      0.218091      4.969499
  C      -7.656655      0.425846      3.861263
  N      -7.480830      1.532059      3.143144
  C      -8.310638      1.765807      2.094700
  N      -9.302684      1.001519      1.692656
  C      -9.511246     -0.143595      2.407278
  C     -10.546815     -1.020243      2.002673
  C     -10.771042     -2.190772      2.695545
  C      -9.983095     -2.525434      3.822522
  C      -8.967237     -1.691953      4.239409
  C      -8.701250     -0.486233      3.541825
  H      -2.460067      1.628644      2.579829
  H      -1.120296      0.647372      3.166708
  H      -3.464148     -0.759295      3.994013
  H      -2.377562     -1.222853      2.701512
  H      -5.060348      1.903918     -0.264075
  H      -7.905722     -1.700975     -0.122456
  H      -8.046054     -3.771439      1.270519
  H      -6.327294     -4.221121      3.015380
  H      -4.485497     -2.626518      3.402746
  H      -5.441541      5.054478      5.319844
  H      -4.585323      6.035068      6.522282
  H      -4.791636      7.302375      4.487234
  H      -3.069566      6.890765      4.662145
  H      -6.533855      5.074248      0.998966
  H      -2.502785      3.359777     -0.384364
  H      -0.191398      3.345040      0.554859
  H       0.301228      4.527454      2.691093
  H      -1.486755      5.712097      3.906322
  H      -7.184242      1.253910      6.811991
  H      -6.971417      2.313488      5.417712
  H      -5.675842      0.102125      4.482313
  H      -6.841714     -0.706120      5.527458
  H      -8.114584      2.684422      1.532051
  H     -11.143602     -0.740698      1.133816
  H     -11.561327     -2.870822      2.374808
  H     -10.180736     -3.453700      4.360288
  H      -8.361473     -1.968713      5.101824
  N      -4.815826      2.608895      3.579664
  H      -5.823142      2.362532      3.424611
  H      -4.367874      2.687416      2.656796
89
Coordinates from ORCA-job orca E -6086.321948745912
  N      -2.313776      1.446343      4.658277
  Mo     -3.844209      2.555482      5.218415
  N      -5.171550      1.668654      6.350089
  C      -4.917170      1.533466      7.785827
  C      -3.433023      1.292557      8.006967
  N      -2.650518      2.264743      7.201531
  C      -1.310201      1.737538      6.845611
  C      -1.448840      0.814620      5.652153
  C      -2.553868      3.602777      7.846313
  C      -2.443102      4.650693      6.744122
  N      -3.522016      4.398218      5.789941
  H      -0.453482      0.620785      5.217388
  H      -1.854056     -0.170398      5.957192
  H      -0.678463      2.592255      6.569464
  H      -0.846677      1.229834      7.708013
  H      -2.529922      5.661829      7.172166
  H      -1.459371      4.594257      6.247748
  H      -3.481820      3.775971      8.408048
  H      -1.708243      3.630557      8.554849
  H      -5.490549      0.687966      8.201362
  H      -5.252674      2.438952      8.326969
  H      -3.179395      0.287096      7.642938
  H      -3.159422      1.354073      9.073627
  C      -2.181518      0.873189      3.311375
  C      -3.018644     -0.397532      3.055834
  C      -4.117631     -0.245000      2.024218
  N      -4.098128      0.818417      1.234773
  C      -5.079332      0.939990      0.298053
  N      -6.070322      0.104697      0.070624
  C      -6.115361     -1.006974      0.865573
  C      -7.161297     -1.943255      0.676378
  C      -7.233711     -3.068817      1.469465
  C      -6.266538     -3.303654      2.474421
  C      -5.236089     -2.408231      2.680126
  C      -5.137736     -1.238676      1.885184
  C      -4.476627      5.480785      5.568101
  C      -4.050603      6.477886      4.464735
  C      -4.135196      5.841122      3.106050
  N      -5.348353      5.809366      2.562730
  C      -5.489825      5.157187      1.381319
  N      -4.551887      4.544977      0.683131
  C      -3.290015      4.582023      1.209112
  C      -2.239517      3.927199      0.521170
  C      -0.967834      3.914106      1.053653
  C      -0.693361      4.558013      2.283316
  C      -1.696670      5.208022      2.972019
  C      -3.017906      5.233604      2.456605
  C      -6.555569      1.412520      5.920314
  C      -6.673463      0.198321      4.972135
  C      -7.671989      0.412706      3.862817
  N      -7.484058      1.514354      3.140528
  C      -8.310361      1.752691      2.090318
  N      -9.309492      0.996781      1.690112
  C      -9.531161     -0.142884      2.409340
  C     -10.575497     -1.010081      2.007097
  C     -10.813669     -2.174720      2.705230
  C     -10.031086     -2.512671      3.834948
  C      -9.006821     -1.688365      4.249574
  C      -8.726405     -0.489049      3.546596
  H      -2.455731      1.627828      2.564478
  H      -1.113314      0.651651      3.154451
  H      -3.456503     -0.744147      4.004799
  H      -2.369561     -1.223551      2.718583
  H      -5.029466      1.847057     -0.312115
  H      -7.897135     -1.736825     -0.101377
  H      -8.049163     -3.780303      1.330233
  H      -6.339144     -4.201085      3.090567
  H      -4.493392     -2.605794      3.453892
  H      -5.455524      5.064152      5.288255
  H      -4.618528      6.034794      6.512254
  H      -4.763192      7.314513      4.488214
  H      -3.050291      6.875299      4.681717
  H      -6.506485      5.128731      0.975002
  H      -2.471744      3.434150     -0.423135
  H      -0.164041      3.401184      0.524305
  H       0.321253      4.543067      2.684103
  H      -1.470842      5.705897      3.914649
  H      -7.183861      1.253258      6.810379
  H      -6.955414      2.301197      5.409606
  H      -5.695758      0.065357      4.485822
  H      -6.872805     -0.719702      5.535792
  H      -8.104810      2.667053      1.524185
  H     -11.168164     -0.727976      1.136240
  H     -11.611600     -2.846941      2.386855
  H     -10.240180     -3.435916      4.377047
  H      -8.405914     -1.967544      5.114656
  N      -4.811834      2.608074      3.570328
  H      -5.811304      2.335174      3.404351
  H      -4.365174      2.740192      2.653388
89
Coordinates from ORCA-job orca E -6086.322376129005
  N      -2.299579      1.494126      4.632193
  Mo     -3.858276      2.553416      5.213460
  N      -5.160892      1.626868      6.339313
  C      -4.896412      1.455160      7.769351
  C      -3.404799      1.256429      7.979496
  N      -2.654655      2.265563      7.188674
  C      -1.299065      1.785692      6.822769
  C      -1.411110      0.876954      5.615745
  C      -2.598787      3.595757      7.854004
  C      -2.504549      4.661498      6.767897
  N      -3.571558      4.397980      5.801288
  H      -0.411194      0.721693      5.175837
  H      -1.782456     -0.125929      5.905955
  H      -0.695138      2.663922      6.558295
  H      -0.817068      1.281145      7.676965
  H      -2.622000      5.663077      7.211149
  H      -1.514227      4.640134      6.281340
  H      -3.537541      3.736487      8.406669
  H      -1.761361      3.634017      8.571875
  H      -5.439786      0.577715      8.158621
  H      -5.261906      2.331698      8.338145
  H      -3.120697      0.265684      7.597802
  H      -3.129009      1.308137      9.046160
  C      -2.169439      0.921292      3.284457
  C      -3.000033     -0.353535      3.031855
  C      -4.103665     -0.203667      2.004769
  N      -4.082264      0.852053      1.205205
  C      -5.074320      0.975178      0.279793
  N      -6.078583      0.149666      0.073991
  C      -6.123479     -0.955441      0.878376
  C      -7.180115     -1.884117      0.709932
  C      -7.249935     -3.004804      1.510347
  C      -6.271358     -3.240807      2.504300
  C      -5.231790     -2.351817      2.690782
  C      -5.134093     -1.189104      1.885840
  C      -4.509804      5.488124      5.545202
  C      -4.038837      6.471685      4.448386
  C      -4.110265      5.828996      3.091554
  N      -5.315641      5.809724      2.530604
  C      -5.448514      5.152169      1.350580
  N      -4.508660      4.522117      0.670726
  C      -3.254107      4.546771      1.214992
  C      -2.201201      3.876546      0.545516
  C      -0.937373      3.852677      1.096168
  C      -0.673688      4.497834      2.327934
  C      -1.679571      5.161784      2.999372
  C      -2.991996      5.202339      2.462799
  C      -6.550766      1.385574      5.916688
  C      -6.688139      0.161682      4.982599
  C      -7.680843      0.376802      3.867932
  N      -7.476222      1.467487      3.133484
  C      -8.297379      1.704354      2.078236
  N      -9.305214      0.956674      1.684068
  C      -9.543178     -0.172007      2.415398
  C     -10.599239     -1.029105      2.021522
  C     -10.855033     -2.182050      2.732817
  C     -10.077470     -2.518893      3.866711
  C      -9.042488     -1.703903      4.273712
  C      -8.745444     -0.515807      3.558351
  H      -2.454854      1.673427      2.539083
  H      -1.100621      0.708097      3.121449
  H      -3.433125     -0.702229      3.982336
  H      -2.348560     -1.177054      2.692689
  H      -5.023124      1.875616     -0.340331
  H      -7.924771     -1.676981     -0.059415
  H      -8.070981     -3.712426      1.385050
  H      -6.342185     -4.134321      3.126584
  H      -4.481065     -2.550072      3.456840
  H      -5.483827      5.080182      5.238259
  H      -4.673528      6.048414      6.482053
  H      -4.733232      7.324102      4.451436
  H      -3.035296      6.849323      4.684663
  H      -6.459369      5.135964      0.929379
  H      -2.425489      3.381912     -0.400077
  H      -0.131323      3.329537      0.580196
  H       0.334610      4.471971      2.744112
  H      -1.462811      5.659877      3.944176
  H      -7.177996      1.245698      6.810796
  H      -6.938527      2.274137      5.397044
  H      -5.712495      0.005428      4.498913
  H      -6.901808     -0.745924      5.557821
  H      -8.080054      2.609899      1.502487
  H     -11.187606     -0.748213      1.147196
  H     -11.663872     -2.845220      2.422064
  H     -10.300422     -3.432876      4.419167
  H      -8.447084     -1.981470      5.143294
  N      -4.825010      2.608017      3.569474
  H      -5.817936      2.310934      3.402460
  H      -4.391069      2.795716      2.656313
89
Coordinates from ORCA-job orca E -6086.322793159907
  N      -2.304814      1.508171      4.615598
  Mo     -3.870191      2.554106      5.206235
  N      -5.156799      1.613297      6.336609
  C      -4.878830      1.411119      7.759555
  C      -3.382568      1.237278      7.956116
  N      -2.655237      2.269306      7.173557
  C      -1.292682      1.818237      6.798191
  C      -1.392515      0.911238      5.589557
  C      -2.620855      3.592667      7.852867
  C      -2.546568      4.671735      6.779255
  N      -3.608428      4.398140      5.809277
  H      -0.392594      0.783642      5.140807
  H      -1.734639     -0.102354      5.878444
  H      -0.708287      2.709408      6.532839
  H      -0.794175      1.321527      7.647584
  H      -2.684888      5.664855      7.235563
  H      -1.554633      4.677687      6.294924
  H      -3.561954      3.711512      8.406610
  H      -1.782828      3.638229      8.569473
  H      -5.401098      0.513038      8.130443
  H      -5.259074      2.266465      8.350629
  H      -3.082494      0.256625      7.560991
  H      -3.101455      1.280723      9.021803
  C      -2.178857      0.929346      3.269750
  C      -3.003079     -0.351118      3.025892
  C      -4.107175     -0.210170      1.998202
  N      -4.088397      0.841747      1.193586
  C      -5.083109      0.959596      0.270855
  N      -6.086816      0.131560      0.070368
  C      -6.126058     -0.971897      0.877402
  C      -7.178344     -1.906135      0.711857
  C      -7.240291     -3.027083      1.512685
  C      -6.259043     -3.256760      2.505572
  C      -5.224661     -2.361505      2.690217
  C      -5.134179     -1.199246      1.883722
  C      -4.534970      5.493305      5.532069
  C      -4.030400      6.472755      4.446246
  C      -4.087791      5.836656      3.085588
  N      -5.284634      5.830672      2.506329
  C      -5.404654      5.180832      1.320482
  N      -4.459722      4.545132      0.651948
  C      -3.213296      4.556461      1.215342
  C      -2.154172      3.884506      0.556761
  C      -0.897758      3.852190      1.124570
  C      -0.649119      4.487140      2.364887
  C      -1.661438      5.151215      3.026572
  C      -2.965363      5.203916      2.470472
  C      -6.551816      1.385855      5.924260
  C      -6.708062      0.156031      4.999754
  C      -7.700306      0.375802      3.885985
  N      -7.492259      1.466400      3.152092
  C      -8.315552      1.707655      2.099381
  N      -9.326863      0.964131      1.705901
  C      -9.566107     -0.165778      2.434687
  C     -10.624345     -1.019939      2.039992
  C     -10.880758     -2.174851      2.747846
  C     -10.100954     -2.517062      3.878743
  C      -9.064599     -1.704349      4.287095
  C      -8.767569     -0.513733      3.575815
  H      -2.476112      1.675654      2.523050
  H      -1.109910      0.722710      3.100290
  H      -3.434700     -0.696216      3.978460
  H      -2.347316     -1.172873      2.690906
  H      -5.035188      1.856345     -0.355039
  H      -7.925138     -1.704070     -0.056848
  H      -8.056216     -3.740560      1.387934
  H      -6.323212     -4.150828      3.127855
  H      -4.471743     -2.555327      3.455310
  H      -5.502877      5.090229      5.201475
  H      -4.716009      6.055374      6.464489
  H      -4.709961      7.337100      4.439415
  H      -3.024699      6.832026      4.700746
  H      -6.407639      5.180136      0.880875
  H      -2.367813      3.397091     -0.395050
  H      -0.085705      3.330302      0.615688
  H       0.352857      4.453067      2.795558
  H      -1.456848      5.640579      3.978622
  H      -7.177092      1.263094      6.822303
  H      -6.929441      2.273617      5.396426
  H      -5.735088     -0.014887      4.514915
  H      -6.930848     -0.744528      5.582503
  H      -8.097245      2.613437      1.524626
  H     -11.213944     -0.735234      1.167696
  H     -11.692106     -2.834931      2.436639
  H     -10.323832     -3.432782      4.428407
  H      -8.467788     -1.986065      5.154444
  N      -4.843925      2.612661      3.566013
  H      -5.825172      2.278746      3.402358
  H      -4.420807      2.821362      2.653594
89
Coordinates from ORCA-job orca E -6086.323118218522
  N      -2.310439      1.521016      4.603976
  Mo     -3.878414      2.558652      5.199742
  N      -5.158052      1.609216      6.330232
  C      -4.869873      1.376262      7.745484
  C      -3.370752      1.218214      7.932184
  N      -2.658906      2.270073      7.163404
  C      -1.291536      1.843171      6.780853
  C      -1.379183      0.939747      5.568550
  C      -2.641435      3.585326      7.857927
  C      -2.579944      4.677391      6.796933
  N      -3.632872      4.399387      5.818938
  H      -0.379406      0.839453      5.112533
  H      -1.694939     -0.083516      5.852821
  H      -0.723381      2.745170      6.516907
  H      -0.780434      1.352215      7.626142
  H      -2.735059      5.662754      7.264772
  H      -1.585248      4.704633      6.318597
  H      -3.583814      3.686587      8.412838
  H      -1.803389      3.634704      8.573986
  H      -5.376819      0.461958      8.097698
  H      -5.259963      2.212339      8.357414
  H      -3.059330      0.247721      7.521546
  H      -3.087080      1.248593      8.997718
  C      -2.190213      0.937674      3.260371
  C      -3.010133     -0.347382      3.025564
  C      -4.112300     -0.214734      1.995434
  N      -4.090661      0.831555      1.183393
  C      -5.082061      0.942487      0.257494
  N      -6.084764      0.112544      0.058983
  C      -6.124614     -0.987111      0.870980
  C      -7.173562     -1.924855      0.705818
  C      -7.235063     -3.042555      1.511060
  C      -6.256878     -3.265252      2.508238
  C      -5.225965     -2.366217      2.693021
  C      -5.136542     -1.206503      1.882664
  C      -4.546569      5.500801      5.522752
  C      -4.011149      6.478300      4.449481
  C      -4.060926      5.850892      3.084754
  N      -5.251724      5.863057      2.493216
  C      -5.367292      5.223427      1.302226
  N      -4.424037      4.578906      0.639838
  C      -3.183032      4.572322      1.214817
  C      -2.125325      3.894499      0.560574
  C      -0.873565      3.848739      1.137181
  C      -0.628932      4.473642      2.383049
  C      -1.640087      5.142467      3.041267
  C      -2.939304      5.210402      2.475746
  C      -6.555359      1.390008      5.925579
  C      -6.726497      0.146926      5.020031
  C      -7.714020      0.364371      3.901889
  N      -7.499896      1.450422      3.163061
  C      -8.322733      1.692243      2.110582
  N      -9.338249      0.953115      1.720584
  C      -9.581288     -0.174270      2.451724
  C     -10.641423     -1.026275      2.058056
  C     -10.899830     -2.180466      2.766246
  C     -10.120126     -2.523615      3.896721
  C      -9.082901     -1.712067      4.304933
  C      -8.783757     -0.522437      3.593246
  H      -2.497072      1.679720      2.513348
  H      -1.121492      0.735959      3.084625
  H      -3.443264     -0.687053      3.979326
  H      -2.350688     -1.168553      2.697028
  H      -5.032751      1.833778     -0.375811
  H      -7.917967     -1.728472     -0.066416
  H      -8.047811     -3.759327      1.386354
  H      -6.320235     -4.157265      3.133240
  H      -4.474724     -2.555462      3.460578
  H      -5.508650      5.102928      5.170434
  H      -4.743425      6.062673      6.451822
  H      -4.673590      7.355580      4.437118
  H      -3.002811      6.817376      4.720023
  H      -6.365038      5.238636      0.851619
  H      -2.336465      3.414497     -0.395293
  H      -0.061706      3.325016      0.630571
  H       0.369469      4.428464      2.820582
  H      -1.438958      5.624013      3.997653
  H      -7.181786      1.290210      6.825774
  H      -6.922959      2.271959      5.382060
  H      -5.754045     -0.043249      4.540326
  H      -6.962185     -0.741695      5.615726
  H      -8.100176      2.594470      1.532259
  H     -11.230203     -0.741171      1.185555
  H     -11.712631     -2.838597      2.455330
  H     -10.343538     -3.439014      4.446328
  H      -8.485820     -1.994982      5.171513
  N      -4.853190      2.626596      3.556187
  H      -5.837087      2.299427      3.394503
  H      -4.443801      2.882575      2.649378
89
Coordinates from ORCA-job orca E -6086.323406910383
  N      -2.311857      1.541619      4.578026
  Mo     -3.885902      2.564538      5.182681
  N      -5.153855      1.598064      6.310253
  C      -4.852644      1.329867      7.715809
  C      -3.349917      1.193323      7.891099
  N      -2.659398      2.271698      7.139864
  C      -1.284571      1.879186      6.748039
  C      -1.356232      0.981651      5.530619
  C      -2.664914      3.575867      7.854999
  C      -2.622812      4.685343      6.811371
  N      -3.664898      4.401177      5.823751
  H      -0.357877      0.915388      5.065189
  H      -1.638714     -0.052691      5.809642
  H      -0.740023      2.796465      6.487059
  H      -0.757450      1.396290      7.588275
  H      -2.801221      5.659318      7.294832
  H      -1.626040      4.742011      6.339419
  H      -3.607697      3.652163      8.413191
  H      -1.826413      3.629962      8.570061
  H      -5.340616      0.396680      8.044963
  H      -5.255049      2.141051      8.352919
  H      -3.023571      0.236734      7.460131
  H      -3.061470      1.207538      8.955763
  C      -2.199684      0.955821      3.234777
  C      -3.020494     -0.331282      3.011822
  C      -4.124677     -0.205026      1.982515
  N      -4.098791      0.831534      1.158191
  C      -5.091222      0.937854      0.233362
  N      -6.099243      0.111295      0.046249
  C      -6.142678     -0.979495      0.869776
  C      -7.195718     -1.914579      0.715784
  C      -7.260671     -3.023623      1.532499
  C      -6.282570     -3.239998      2.531174
  C      -5.247416     -2.343591      2.705178
  C      -5.154200     -1.192760      1.882534
  C      -4.571617      5.503609      5.509080
  C      -4.011435      6.482910      4.450192
  C      -4.034623      5.859181      3.083106
  N      -5.212895      5.875356      2.467183
  C      -5.305762      5.237133      1.273533
  N      -4.351947      4.586989      0.631950
  C      -3.123010      4.576134      1.231902
  C      -2.054511      3.894322      0.599257
  C      -0.814198      3.846947      1.199622
  C      -0.592343      4.472552      2.449424
  C      -1.614364      5.144211      3.087431
  C      -2.902425      5.215229      2.496681
  C      -6.552297      1.383818      5.911632
  C      -6.735111      0.128253      5.024787
  C      -7.721082      0.338999      3.903894
  N      -7.502555      1.415450      3.152669
  C      -8.327899      1.651313      2.100658
  N      -9.351246      0.916255      1.723721
  C      -9.598034     -0.202319      2.467088
  C     -10.667839     -1.049358      2.088996
  C     -10.930407     -2.194946      2.809527
  C     -10.144377     -2.534522      3.936778
  C      -9.098416     -1.727060      4.330449
  C      -8.796054     -0.545500      3.606759
  H      -2.516078      1.694252      2.488233
  H      -1.131943      0.757057      3.050837
  H      -3.453623     -0.661707      3.968820
  H      -2.362031     -1.155599      2.689466
  H      -5.038260      1.820920     -0.411068
  H      -7.940369     -1.723273     -0.057489
  H      -8.076111     -3.738719      1.415786
  H      -6.349035     -4.125220      3.165407
  H      -4.495518     -2.528368      3.473172
  H      -5.523893      5.103526      5.134115
  H      -4.789833      6.063635      6.434411
  H      -4.668904      7.363599      4.426987
  H      -3.007145      6.816191      4.742331
  H      -6.293716      5.255301      0.802163
  H      -2.248699      3.413252     -0.359627
  H       0.006762      3.322034      0.709013
  H       0.397444      4.425820      2.905994
  H      -1.431049      5.625940      4.047266
  H      -7.178820      1.303475      6.813887
  H      -6.912975      2.259762      5.354659
  H      -5.764213     -0.079680      4.548636
  H      -6.980774     -0.748486      5.633806
  H      -8.101476      2.545388      1.511406
  H     -11.260685     -0.767368      1.218229
  H     -11.751532     -2.848588      2.511238
  H     -10.369894     -3.443730      4.495677
  H      -8.497178     -2.006978      5.195079
  N      -4.863296      2.639102      3.541574
  H      -5.831999      2.270944      3.375746
  H      -4.465845      2.928326      2.639625
89
Coordinates from ORCA-job orca E -6086.323635738953
  N      -2.319428      1.558985      4.557855
  Mo     -3.895925      2.571282      5.172508
  N      -5.154499      1.594612      6.301369
  C      -4.839875      1.299479      7.697989
  C      -3.334488      1.177748      7.861411
  N      -2.660974      2.274943      7.122136
  C      -1.282050      1.908229      6.720827
  C      -1.344478      1.015187      5.499560
  C      -2.681586      3.570186      7.852684
  C      -2.653192      4.692159      6.821750
  N      -3.686003      4.405204      5.825356
  H      -0.348751      0.974554      5.025429
  H      -1.601594     -0.026888      5.774494
  H      -0.756725      2.836728      6.460295
  H      -0.741669      1.432260      7.556724
  H      -2.848482      5.657412      7.316308
  H      -1.654905      4.769096      6.355474
  H      -3.623155      3.628572      8.415082
  H      -1.842083      3.626961      8.566472
  H      -5.313862      0.353332      8.010720
  H      -5.248658      2.091138      8.355484
  H      -2.999689      0.231754      7.413940
  H      -3.039133      1.178880      8.924333
  C      -2.213645      0.974582      3.213312
  C      -3.033568     -0.314329      2.996051
  C      -4.137120     -0.194450      1.965284
  N      -4.113236      0.839424      1.137595
  C      -5.106471      0.941302      0.213343
  N      -6.113783      0.112803      0.029974
  C      -6.155350     -0.975015      0.857299
  C      -7.206795     -1.912599      0.706954
  C      -7.269149     -3.019188      1.527229
  C      -6.290790     -3.230134      2.526740
  C      -5.257208     -2.331158      2.697405
  C      -5.165907     -1.183488      1.870174
  C      -4.587050      5.507700      5.494686
  C      -4.009340      6.489396      4.447200
  C      -4.009155      5.872050      3.077062
  N      -5.174038      5.899028      2.436527
  C      -5.246720      5.265267      1.239039
  N      -4.285040      4.608111      0.616325
  C      -3.068968      4.585967      1.241666
  C      -1.992996      3.896254      0.629830
  C      -0.764746      3.840543      1.253799
  C      -0.563005      4.464938      2.507682
  C      -1.592976      5.142182      3.126715
  C      -2.869369      5.221635      2.511792
  C      -6.553465      1.378207      5.909773
  C      -6.747079      0.107707      5.045833
  C      -7.727776      0.311185      3.918379
  N      -7.499542      1.376331      3.154147
  C      -8.321117      1.606114      2.097738
  N      -9.351343      0.876427      1.729523
  C      -9.608317     -0.231031      2.486068
  C     -10.687010     -1.071359      2.118496
  C     -10.960294     -2.206211      2.851867
  C     -10.175679     -2.541641      3.981396
  C      -9.121588     -1.740021      4.365454
  C      -8.809084     -0.568665      3.629375
  H      -2.536295      1.712735      2.469220
  H      -1.146694      0.778186      3.022457
  H      -3.467780     -0.639298      3.954374
  H      -2.374538     -1.140054      2.678506
  H      -5.054662      1.821698     -0.435020
  H      -7.952195     -1.725319     -0.066701
  H      -8.083166     -3.736552      1.413099
  H      -6.355862     -4.113123      3.164323
  H      -4.504417     -2.511739      3.465685
  H      -5.531669      5.104728      5.104101
  H      -4.821920      6.067686      6.416128
  H      -4.665166      7.370986      4.417692
  H      -3.009212      6.820216      4.756691
  H      -6.223135      5.295824      0.744839
  H      -2.172069      3.416796     -0.332902
  H       0.062791      3.310816      0.778869
  H       0.417904      4.412906      2.982657
  H      -1.424733      5.623329      4.089762
  H      -7.179084      1.318880      6.814567
  H      -6.910702      2.245330      5.337475
  H      -5.777346     -0.120745      4.577299
  H      -7.006103     -0.755177      5.669018
  H      -8.085458      2.490009      1.497004
  H     -11.278054     -0.792892      1.245281
  H     -11.789013     -2.854247      2.562364
  H     -10.408914     -3.442868      4.550120
  H      -8.521948     -2.016704      5.232255
  N      -4.880775      2.644095      3.536334
  H      -5.841263      2.253656      3.373393
  H      -4.494242      2.946326      2.634694
89
Coordinates from ORCA-job orca E -6086.323823272588
  N      -2.326427      1.569447      4.542818
  Mo     -3.900944      2.582463      5.162442
  N      -5.155140      1.599763      6.290775
  C      -4.829548      1.274332      7.677647
  C      -3.322219      1.163896      7.831612
  N      -2.661956      2.277809      7.105374
  C      -1.279649      1.932357      6.697415
  C      -1.335513      1.040835      5.475016
  C      -2.695867      3.562984      7.852334
  C      -2.677473      4.699735      6.837561
  N      -3.698425      4.413086      5.829665
  H      -0.342661      1.019035      4.993544
  H      -1.572842     -0.006331      5.748603
  H      -0.771058      2.869691      6.435427
  H      -0.728766      1.463500      7.530486
  H      -2.891559      5.653909      7.345870
  H      -1.676973      4.798708      6.379960
  H      -3.637039      3.603962      8.416934
  H      -1.857150      3.619185      8.567223
  H      -5.292175      0.316299      7.971048
  H      -5.243828      2.045141      8.356292
  H      -2.981635      0.227773      7.368204
  H      -3.020639      1.151133      8.892692
  C      -2.230567      0.979894      3.199348
  C      -3.054449     -0.308237      2.992670
  C      -4.150203     -0.194205      1.953424
  N      -4.116237      0.832870      1.117893
  C      -5.100263      0.928904      0.183216
  N      -6.106489      0.100097     -0.004057
  C      -6.159003     -0.980147      0.832369
  C      -7.211874     -1.915765      0.680399
  C      -7.286716     -3.013666      1.511279
  C      -6.319410     -3.218058      2.522725
  C      -5.283991     -2.321088      2.694602
  C      -5.180635     -1.181834      1.857375
  C      -4.592373      5.517426      5.486761
  C      -4.000047      6.502371      4.450621
  C      -3.984064      5.892094      3.077769
  N      -5.138799      5.932230      2.419784
  C      -5.199881      5.303536      1.218870
  N      -4.236195      4.637027      0.609504
  C      -3.030014      4.601305      1.252814
  C      -1.952190      3.902638      0.654504
  C      -0.732170      3.837601      1.293148
  C      -0.540434      4.462236      2.548553
  C      -1.572963      5.146168      3.155684
  C      -2.841961      5.233281      2.526682
  C      -6.554530      1.384095      5.906013
  C      -6.758392      0.098444      5.067240
  C      -7.732906      0.291190      3.932456
  N      -7.499808      1.346106      3.155861
  C      -8.319682      1.566285      2.095857
  N      -9.352917      0.836634      1.735844
  C      -9.614069     -0.261378      2.504670
  C     -10.695670     -1.101878      2.146115
  C     -10.972119     -2.228437      2.891103
  C     -10.187839     -2.554893      4.023461
  C      -9.131372     -1.752512      4.399211
  C      -8.815948     -0.589215      3.651483
  H      -2.555211      1.715637      2.454126
  H      -1.165454      0.779652      3.002435
  H      -3.495706     -0.619674      3.952225
  H      -2.398042     -1.140932      2.688032
  H      -5.038782      1.802583     -0.473333
  H      -7.949211     -1.733235     -0.102094
  H      -8.102773     -3.728794      1.396450
  H      -6.394706     -4.093991      3.168901
  H      -4.539622     -2.495970      3.472445
  H      -5.531275      5.114572      5.082838
  H      -4.840608      6.076619      6.405455
  H      -4.655298      7.384193      4.418816
  H      -3.003339      6.831335      4.773558
  H      -6.167299      5.348427      0.708538
  H      -2.123470      3.424585     -0.310414
  H       0.096870      3.301075      0.828765
  H       0.434931      4.405108      3.034367
  H      -1.411637      5.628603      4.119317
  H      -7.179710      1.347839      6.812740
  H      -6.906869      2.242129      5.317768
  H      -5.789615     -0.150945      4.607762
  H      -7.031585     -0.749369      5.704979
  H      -8.079879      2.441428      1.484396
  H     -11.285844     -0.830591      1.270024
  H     -11.802870     -2.877115      2.608941
  H     -10.423071     -3.449996      4.601028
  H      -8.531775     -2.022730      5.268111
  N      -4.890482      2.652015      3.528374
  H      -5.839743      2.235030      3.365470
  H      -4.517899      2.977840      2.629301
89
Coordinates from ORCA-job orca E -6086.323959106388
  N      -2.333419      1.587674      4.517635
  Mo     -3.909956      2.592308      5.147865
  N      -5.156153      1.596926      6.274341
  C      -4.820144      1.249390      7.653239
  C      -3.310995      1.152030      7.799263
  N      -2.664329      2.280022      7.082356
  C      -1.279529      1.952883      6.667636
  C      -1.331136      1.066872      5.441188
  C      -2.710417      3.556325      7.843062
  C      -2.699229      4.705495      6.842515
  N      -3.710606      4.420451      5.824944
  H      -0.340571      1.058147      4.954599
  H      -1.555544      0.015773      5.710620
  H      -0.783971      2.897562      6.407103
  H      -0.720153      1.486596      7.496347
  H      -2.929047      5.649794      7.362247
  H      -1.697154      4.823158      6.392794
  H      -3.652703      3.582015      8.406653
  H      -1.874097      3.611058      8.561047
  H      -5.271757      0.281653      7.931686
  H      -5.240116      2.002809      8.347804
  H      -2.964163      0.224283      7.323988
  H      -3.003584      1.129881      8.858447
  C      -2.244882      0.998325      3.173911
  C      -3.067412     -0.291114      2.974277
  C      -4.162211     -0.185263      1.933925
  N      -4.133392      0.839368      1.095055
  C      -5.117323      0.925383      0.158927
  N      -6.119239      0.091002     -0.024597
  C      -6.167480     -0.985314      0.817368
  C      -7.217193     -1.925241      0.671449
  C      -7.287257     -3.019197      1.508226
  C      -6.318105     -3.215052      2.519297
  C      -5.285739     -2.313478      2.685179
  C      -5.187467     -1.178437      1.842094
  C      -4.601117      5.524442      5.474808
  C      -3.997630      6.513964      4.449513
  C      -3.956151      5.906453      3.076460
  N      -5.096417      5.952816      2.393984
  C      -5.134219      5.327716      1.190247
  N      -4.161303      4.656438      0.601223
  C      -2.969566      4.613912      1.270445
  C      -1.882081      3.912294      0.693648
  C      -0.675214      3.843102      1.356642
  C      -0.507018      4.466878      2.615812
  C      -1.549839      5.152956      3.202642
  C      -2.805647      5.243577      2.548642
  C      -6.557449      1.380236      5.899178
  C      -6.772366      0.082768      5.081443
  C      -7.746931      0.267245      3.945146
  N      -7.510591      1.313240      3.157703
  C      -8.332327      1.527351      2.097992
  N      -9.370706      0.800140      1.748533
  C      -9.635629     -0.288894      2.528686
  C     -10.724367     -1.125176      2.182520
  C     -11.005716     -2.242250      2.939756
  C     -10.218839     -2.563287      4.071727
  C      -9.155269     -1.764782      4.435543
  C      -8.835126     -0.610650      3.675601
  H      -2.573888      1.733701      2.430718
  H      -1.180952      0.798478      2.969645
  H      -3.508697     -0.596278      3.935830
  H      -2.411315     -1.126249      2.675693
  H      -5.059857      1.796663     -0.501150
  H      -7.956259     -1.749027     -0.110803
  H      -8.100781     -3.737780      1.397879
  H      -6.389766     -4.087670      3.170257
  H      -4.540246     -2.480764      3.463588
  H      -5.535490      5.122511      5.059441
  H      -4.861063      6.081714      6.391599
  H      -4.658696      7.391135      4.410104
  H      -3.008256      6.849092      4.788263
  H      -6.089700      5.380160      0.658803
  H      -2.035303      3.436010     -0.275159
  H       0.161350      3.303953      0.908954
  H       0.458309      4.407647      3.120950
  H      -1.405914      5.635369      4.169064
  H      -7.178351      1.361693      6.809634
  H      -6.909399      2.231050      5.300672
  H      -5.806361     -0.183505      4.625190
  H      -7.054220     -0.752853      5.731323
  H      -8.090115      2.395297      1.477415
  H     -11.316334     -0.858056      1.306438
  H     -11.842481     -2.887654      2.668073
  H     -10.458339     -3.450742      4.659172
  H      -8.554522     -2.030573      5.304967
  N      -4.906849      2.655809      3.515615
  H      -5.850357      2.224811      3.356551
  H      -4.543791      2.986640      2.614395
89
Coordinates from ORCA-job orca E -6086.324058488528
  N      -2.334757      1.603679      4.500165
  Mo     -3.914452      2.601989      5.137146
  N      -5.152668      1.593124      6.258710
  C      -4.806809      1.215301      7.627211
  C      -3.295870      1.135918      7.767604
  N      -2.665716      2.281890      7.064211
  C      -1.276290      1.979282      6.645249
  C      -1.318347      1.097600      5.415616
  C      -2.730865      3.546358      7.842389
  C      -2.727243      4.711001      6.860983
  N      -3.724663      4.427677      5.829023
  H      -0.330164      1.106065      4.924217
  H      -1.524169      0.041782      5.681832
  H      -0.797953      2.933345      6.386296
  H      -0.706993      1.518972      7.470417
  H      -2.979882      5.641201      7.395580
  H      -1.722504      4.855771      6.425160
  H      -3.677355      3.551833      8.399464
  H      -1.900380      3.599232      8.567318
  H      -5.243615      0.234225      7.881849
  H      -5.237604      1.944214      8.341029
  H      -2.938106      0.219064      7.279710
  H      -2.984661      1.103734      8.825346
  C      -2.255170      1.005296      3.159980
  C      -3.080552     -0.283608      2.972214
  C      -4.165792     -0.185659      1.921720
  N      -4.125360      0.829221      1.071666
  C      -5.100648      0.906777      0.125175
  N      -6.104385      0.074688     -0.056759
  C      -6.165020     -0.990817      0.798469
  C      -7.220026     -1.925360      0.657658
  C      -7.303268     -3.007757      1.508328
  C      -6.341749     -3.197370      2.527751
  C      -5.304390     -2.300479      2.688647
  C      -5.193761     -1.176517      1.832535
  C      -4.605148      5.535911      5.468705
  C      -3.983432      6.526862      4.455452
  C      -3.932107      5.926179      3.080002
  N      -5.063384      5.989912      2.383888
  C      -5.093787      5.372022      1.175934
  N      -4.122376      4.690907      0.595837
  C      -2.939573      4.630998      1.279224
  C      -1.852624      3.922094      0.710521
  C      -0.653269      3.838856      1.385746
  C      -0.492631      4.455237      2.649641
  C      -1.535366      5.148146      3.228693
  C      -2.783404      5.252570      2.562276
  C      -6.557376      1.383036      5.894164
  C      -6.788940      0.071634      5.104691
  C      -7.756231      0.247496      3.961040
  N      -7.510217      1.282281      3.161949
  C      -8.327836      1.488078      2.097231
  N      -9.368567      0.761987      1.752344
  C      -9.641770     -0.316832      2.543713
  C     -10.732012     -1.152972      2.201766
  C     -11.020536     -2.260737      2.969948
  C     -10.239830     -2.571970      4.108918
  C      -9.175078     -1.773277      4.468832
  C      -8.847344     -0.628818      3.697477
  H      -2.587138      1.736423      2.414368
  H      -1.192916      0.802596      2.949801
  H      -3.530549     -0.573314      3.934633
  H      -2.427081     -1.126692      2.690636
  H      -5.032714      1.768575     -0.546152
  H      -7.953207     -1.753953     -0.131135
  H      -8.121528     -3.721540      1.402167
  H      -6.423380     -4.061134      3.189233
  H      -4.565402     -2.462314      3.474330
  H      -5.535720      5.140933      5.038503
  H      -4.876294      6.091913      6.383142
  H      -4.641129      7.406521      4.413350
  H      -2.996537      6.856898      4.806097
  H      -6.041011      5.442756      0.632123
  H      -2.000197      3.452318     -0.262325
  H       0.183070      3.294365      0.944051
  H       0.466804      4.385387      3.164551
  H      -1.396627      5.625948      4.198103
  H      -7.174498      1.391169      6.807621
  H      -6.901932      2.225273      5.280038
  H      -5.825984     -0.220313      4.657440
  H      -7.087142     -0.745789      5.770190
  H      -8.079773      2.347491      1.467339
  H     -11.318957     -0.893574      1.320030
  H     -11.857938     -2.906854      2.701868
  H     -10.485206     -3.452058      4.704913
  H      -8.579118     -2.032034      5.343622
  N      -4.912794      2.661052      3.504179
  H      -5.846106      2.209925      3.345800
  H      -4.560611      3.003913      2.603094
89
Coordinates from ORCA-job orca E -6086.324132213176
  N      -2.340938      1.626151      4.473396
  Mo     -3.924113      2.612360      5.121659
  N      -5.152021      1.587251      6.237946
  C      -4.795041      1.183386      7.596321
  C      -3.282662      1.120930      7.730180
  N      -2.669506      2.284364      7.040375
  C      -1.276869      2.006350      6.614977
  C      -1.310230      1.132497      5.379431
  C      -2.751666      3.537161      7.835573
  C      -2.755519      4.715057      6.870959
  N      -3.741063      4.434851      5.826357
  H      -0.325224      1.160613      4.882373
  H      -1.496312      0.071412      5.639540
  H      -0.814587      2.969429      6.360041
  H      -0.697132      1.549640      7.434810
  H      -3.025899      5.633612      7.417245
  H      -1.748976      4.882150      6.447221
  H      -3.701710      3.524434      8.386424
  H      -1.925765      3.588187      8.565840
  H      -5.217862      0.191067      7.830418
  H      -5.234059      1.890742      8.326572
  H      -2.914319      0.215113      7.229874
  H      -2.967862      1.078915      8.786540
  C      -2.269501      1.022964      3.135275
  C      -3.093025     -0.268648      2.958980
  C      -4.176759     -0.181585      1.906191
  N      -4.139288      0.828206      1.049958
  C      -5.114573      0.895872      0.102216
  N      -6.116393      0.060322     -0.073477
  C      -6.174113     -0.999693      0.789174
  C      -7.227548     -1.936971      0.655969
  C      -7.306845     -3.014638      1.513129
  C      -6.342626     -3.196666      2.531413
  C      -5.306896     -2.296586      2.685054
  C      -5.200898     -1.176897      1.822704
  C      -4.612659      5.547245      5.457674
  C      -3.971316      6.540157      4.457718
  C      -3.897816      5.942068      3.082204
  N      -5.015848      6.013285      2.365677
  C      -5.027667      5.396460      1.156753
  N      -4.050617      4.708616      0.594476
  C      -2.880785      4.641472      1.298932
  C      -1.787794      3.926990      0.749305
  C      -0.600393      3.838892      1.444868
  C      -0.458502      4.454878      2.711174
  C      -1.507794      5.152951      3.272024
  C      -2.743853      5.262412      2.584418
  C      -6.560451      1.382358      5.885393
  C      -6.807085      0.062538      5.114858
  C      -7.776507      0.232475      3.971745
  N      -7.532638      1.261839      3.164864
  C      -8.355553      1.460765      2.102673
  N      -9.398250      0.733170      1.766891
  C      -9.668146     -0.340769      2.565802
  C     -10.760727     -1.178208      2.234444
  C     -11.046397     -2.280786      3.011158
  C     -10.259806     -2.585712      4.147856
  C      -9.192769     -1.785447      4.497565
  C      -8.868491     -0.645753      3.717776
  H      -2.609791      1.750543      2.389907
  H      -1.208404      0.823434      2.916511
  H      -3.545144     -0.548515      3.923479
  H      -2.439061     -1.114784      2.687985
  H      -5.047642      1.751536     -0.577099
  H      -7.962637     -1.771864     -0.132436
  H      -8.123523     -3.731011      1.412204
  H      -6.420407     -4.057475      3.197246
  H      -4.565388     -2.453220      3.469440
  H      -5.538457      5.159166      5.011038
  H      -4.895879      6.100272      6.370258
  H      -4.626911      7.420867      4.405216
  H      -2.990260      6.868030      4.826179
  H      -5.963758      5.475780      0.595171
  H      -1.921033      3.457861     -0.225968
  H       0.241244      3.291753      1.016868
  H       0.491622      4.380735      3.242599
  H      -1.383413      5.630725      4.243337
  H      -7.171306      1.408431      6.802928
  H      -6.901447      2.218797      5.261895
  H      -5.848739     -0.245951      4.668236
  H      -7.112256     -0.742719      5.791999
  H      -8.110915      2.316159      1.466151
  H     -11.352227     -0.923622      1.354309
  H     -11.886237     -2.927520      2.752125
  H     -10.503047     -3.461713      4.750750
  H      -8.593010     -2.038999      5.371361
  N      -4.927043      2.668340      3.490164
  H      -5.856606      2.209769      3.337230
  H      -4.584301      3.017112      2.587519
89
Coordinates from ORCA-job orca E -6086.324199815214
  N      -2.350835      1.647988      4.437709
  Mo     -3.937304      2.617897      5.102163
  N      -5.148676      1.573948      6.217534
  C      -4.774986      1.146206      7.564116
  C      -3.260866      1.103894      7.686121
  N      -2.670719      2.286297      7.008589
  C      -1.275873      2.037521      6.572455
  C      -1.301267      1.171330      5.330958
  C      -2.771718      3.526825      7.821011
  C      -2.789925      4.717772      6.873387
  N      -3.764090      4.437316      5.818129
  H      -0.321835      1.224077      4.824892
  H      -1.461709      0.104662      5.585316
  H      -0.833231      3.010608      6.320948
  H      -0.681929      1.586262      7.385071
  H      -3.079275      5.623702      7.431207
  H      -1.783770      4.910383      6.459473
  H      -3.723788      3.492815      8.367322
  H      -1.948781      3.578944      8.554385
  H      -5.180997      0.142649      7.779679
  H      -5.220138      1.831499      8.311352
  H      -2.881590      0.210737      7.171678
  H      -2.938746      1.052652      8.739872
  C      -2.292850      1.036413      3.102973
  C      -3.115045     -0.258328      2.942947
  C      -4.199578     -0.181501      1.889931
  N      -4.162860      0.821696      1.025949
  C      -5.139230      0.882808      0.078839
  N      -6.143375      0.048200     -0.087259
  C      -6.200743     -1.004983      0.783981
  C      -7.257410     -1.939942      0.661822
  C      -7.336543     -3.010981      1.527172
  C      -6.368375     -3.188928      2.542459
  C      -5.329480     -2.290691      2.685651
  C      -5.224502     -1.176777      1.815581
  C      -4.630882      5.549981      5.439835
  C      -3.973731      6.547544      4.454267
  C      -3.864140      5.947807      3.081805
  N      -4.966232      6.006324      2.339800
  C      -4.944472      5.384469      1.133466
  N      -3.949295      4.701941      0.597098
  C      -2.794860      4.649232      1.327477
  C      -1.682249      3.944452      0.805208
  C      -0.508753      3.874534      1.526057
  C      -0.400763      4.499000      2.791453
  C      -1.469901      5.187325      3.326209
  C      -2.692537      5.278118      2.612182
  C      -6.561607      1.373869      5.883151
  C      -6.824502      0.046916      5.131107
  C      -7.794687      0.213438      3.988308
  N      -7.549714      1.237323      3.174900
  C      -8.374676      1.430726      2.113229
  N      -9.419488      0.703235      1.783647
  C      -9.689694     -0.365554      2.589297
  C     -10.784026     -1.203546      2.264971
  C     -11.069371     -2.301472      3.048388
  C     -10.280653     -2.600980      4.185080
  C      -9.212082     -1.799915      4.528095
  C      -8.888123     -0.665013      3.741246
  H      -2.645625      1.758369      2.357863
  H      -1.233748      0.840830      2.871840
  H      -3.567526     -0.526829      3.910615
  H      -2.461175     -1.107554      2.681934
  H      -5.071485      1.731488     -0.609013
  H      -7.995298     -1.778506     -0.124659
  H      -8.156143     -3.725137      1.434865
  H      -6.445535     -4.045105      3.214248
  H      -4.584745     -2.444858      3.467431
  H      -5.547909      5.162769      4.974732
  H      -4.931172      6.098839      6.349407
  H      -4.633821      7.423660      4.385303
  H      -3.003457      6.881955      4.844600
  H      -5.867886      5.453780      0.550010
  H      -1.789430      3.468805     -0.170097
  H       0.348596      3.336508      1.118104
  H       0.538874      4.439381      3.342966
  H      -1.371736      5.672432      4.296819
  H      -7.162640      1.415528      6.806715
  H      -6.902054      2.204738      5.252286
  H      -5.871144     -0.278666      4.685506
  H      -7.137545     -0.745568      5.819488
  H      -8.130071      2.281633      1.470850
  H     -11.377024     -0.953310      1.384631
  H     -11.910420     -2.948793      2.794947
  H     -10.523313     -3.473514      4.793132
  H      -8.610765     -2.049474      5.401893
  N      -4.947266      2.671508      3.473079
  H      -5.873125      2.205476      3.326287
  H      -4.612576      3.022050      2.568042
89
Coordinates from ORCA-job orca E -6086.324263698281
  N      -2.359280      1.670222      4.395826
  Mo     -3.949226      2.621758      5.078554
  N      -5.139843      1.554286      6.192564
  C      -4.744698      1.101061      7.524698
  C      -3.228695      1.083509      7.631515
  N      -2.667345      2.288976      6.969751
  C      -1.270565      2.077980      6.520781
  C      -1.284739      1.220735      5.273063
  C      -2.790592      3.514153      7.802469
  C      -2.831518      4.719986      6.875415
  N      -3.792361      4.437104      5.809375
  H      -0.313959      1.308104      4.755048
  H      -1.408274      0.147749      5.521210
  H      -0.853118      3.063249      6.274051
  H      -0.658916      1.634838      7.324771
  H      -3.144308      5.609746      7.446851
  H      -1.828025      4.945074      6.471251
  H      -3.742623      3.452894      8.346275
  H      -1.968719      3.569683      8.536521
  H      -5.130656      0.085423      7.720214
  H      -5.194686      1.761357      8.291192
  H      -2.836784      0.206945      7.098603
  H      -2.896844      1.020629      8.681668
  C      -2.313178      1.048061      3.065617
  C      -3.133459     -0.250556      2.927400
  C      -4.219955     -0.190899      1.874742
  N      -4.189868      0.803409      1.000312
  C      -5.169125      0.852064      0.055930
  N      -6.173725      0.014883     -0.095361
  C      -6.224249     -1.029636      0.786789
  C      -7.278544     -1.968971      0.678550
  C      -7.348479     -3.033633      1.552494
  C      -6.373649     -3.200471      2.563313
  C      -5.337327     -2.297382      2.693654
  C      -5.241532     -1.190068      1.814077
  C      -4.656878      5.549611      5.424356
  C      -3.985924      6.555037      4.455754
  C      -3.835881      5.954007      3.087529
  N      -4.921540      5.994222      2.320334
  C      -4.864665      5.364365      1.119421
  N      -3.851325      4.686185      0.612726
  C      -2.712909      4.653034      1.368675
  C      -1.581273      3.956072      0.878055
  C      -0.421624      3.911940      1.622497
  C      -0.345473      4.556511      2.880019
  C      -1.434475      5.235425      3.385454
  C      -2.645003      5.297736      2.647788
  C      -6.557784      1.358385      5.879268
  C      -6.841818      0.027740      5.140523
  C      -7.812641      0.199586      3.998509
  N      -7.562847      1.219680      3.181835
  C      -8.389651      1.414741      2.121761
  N      -9.441756      0.695363      1.797973
  C      -9.717676     -0.368692      2.607839
  C     -10.822439     -1.196351      2.292333
  C     -11.115071     -2.288632      3.080775
  C     -10.322274     -2.593453      4.213312
  C      -9.243747     -1.802125      4.548004
  C      -8.913232     -0.672089      3.756688
  H      -2.680592      1.761653      2.319258
  H      -1.256171      0.857242      2.821910
  H      -3.587156     -0.502366      3.899144
  H      -2.478622     -1.103186      2.680828
  H      -5.105243      1.692051     -0.642907
  H      -8.021362     -1.817043     -0.105244
  H      -8.165501     -3.751921      1.469946
  H      -6.443250     -4.052182      3.241616
  H      -4.586439     -2.444068      3.471112
  H      -5.563452      5.162028      4.939726
  H      -4.974860      6.091115      6.332335
  H      -4.651406      7.425300      4.368645
  H      -3.028729      6.897117      4.870877
  H      -5.774872      5.419238      0.514003
  H      -1.662980      3.466506     -0.092908
  H       0.450614      3.381414      1.237572
  H       0.585058      4.519278      3.448804
  H      -1.361952      5.736115      4.350355
  H      -7.146082      1.412018      6.810471
  H      -6.899424      2.185786      5.244598
  H      -5.895033     -0.317286      4.694979
  H      -7.166147     -0.752599      5.837321
  H      -8.140691      2.261193      1.475298
  H     -11.418260     -0.942243      1.414962
  H     -11.965383     -2.926891      2.835049
  H     -10.570022     -3.461878      4.825236
  H      -8.640474     -2.055103      5.419431
  N      -4.965541      2.674530      3.452609
  H      -5.884923      2.196233      3.310649
  H      -4.639978      3.032550      2.547229
89
Coordinates from ORCA-job orca E -6086.324335401584
  N      -2.377408      1.689887      4.357324
  Mo     -3.964710      2.626356      5.062424
  N      -5.136112      1.543377      6.181490
  C      -4.718683      1.075158      7.501831
  C      -3.201192      1.073713      7.588865
  N      -2.663627      2.295422      6.937168
  C      -1.268620      2.113146      6.471281
  C      -1.278544      1.264434      5.217030
  C      -2.799973      3.510054      7.783615
  C      -2.857922      4.724387      6.868322
  N      -3.811617      4.440423      5.796416
  H      -0.318298      1.383080      4.685444
  H      -1.367988      0.186596      5.458485
  H      -0.871210      3.107582      6.228134
  H      -0.640040      1.675525      7.265342
  H      -3.182778      5.605495      7.446631
  H      -1.857059      4.967434      6.468019
  H      -3.749674      3.430321      8.328947
  H      -1.976333      3.568731      8.515332
  H      -5.090827      0.052641      7.688466
  H      -5.164978      1.720810      8.282790
  H      -2.804521      0.210212      7.038488
  H      -2.856621      1.000410      8.634322
  C      -2.347349      1.056153      3.031554
  C      -3.169354     -0.243867      2.913856
  C      -4.259629     -0.196440      1.863522
  N      -4.234745      0.791463      0.981824
  C      -5.217200      0.833105      0.041201
  N      -6.222278     -0.005586     -0.099966
  C      -6.266798     -1.045048      0.788141
  C      -7.320290     -1.986541      0.689762
  C      -7.384646     -3.046536      1.569613
  C      -6.404320     -3.207002      2.576350
  C      -5.368722     -2.301617      2.697504
  C      -5.279224     -1.198132      1.812303
  C      -4.674221      5.553266      5.405073
  C      -3.991010      6.562314      4.449351
  C      -3.800900      5.954699      3.088669
  N      -4.869311      5.972775      2.296668
  C      -4.776357      5.332833      1.103346
  N      -3.744418      4.659275      0.628966
  C      -2.623017      4.649092      1.410683
  C      -1.472769      3.958867      0.955294
  C      -0.328190      3.943499      1.723545
  C      -0.284539      4.613519      2.969388
  C      -1.393385      5.283490      3.442181
  C      -2.590584      5.313562      2.680986
  C      -6.558287      1.347381      5.888456
  C      -6.854502      0.018736      5.149777
  C      -7.830019      0.194730      4.011644
  N      -7.589450      1.220255      3.198926
  C      -8.420439      1.414249      2.141658
  N      -9.468789      0.689758      1.817184
  C      -9.735936     -0.379247      2.623581
  C     -10.835015     -1.213826      2.306479
  C     -11.117340     -2.312482      3.089833
  C     -10.320260     -2.616287      4.219629
  C      -9.247148     -1.818241      4.555859
  C      -8.926382     -0.682301      3.768912
  H      -2.726834      1.762852      2.284397
  H      -1.293381      0.866301      2.774854
  H      -3.622468     -0.480718      3.889689
  H      -2.515675     -1.100276      2.677831
  H      -5.156076      1.667172     -0.665010
  H      -8.067118     -1.840113     -0.091345
  H      -8.201770     -3.765888      1.495487
  H      -6.469410     -4.055375      3.259394
  H      -4.613590     -2.443677      3.471892
  H      -5.572477      5.165029      4.905856
  H      -5.005355      6.090252      6.311077
  H      -4.660424      7.427153      4.341545
  H      -3.047174      6.912800      4.887466
  H      -5.672050      5.371403      0.475250
  H      -1.527769      3.453177     -0.009434
  H       0.558686      3.419166      1.364597
  H       0.636587      4.602600      3.554510
  H      -1.347680      5.802957      4.398932
  H      -7.133032      1.398297      6.828182
  H      -6.907607      2.175997      5.259264
  H      -5.912364     -0.332305      4.699310
  H      -7.180498     -0.759389      5.848195
  H      -8.177928      2.264407      1.497467
  H     -11.434317     -0.960461      1.431161
  H     -11.962509     -2.956627      2.841842
  H     -10.559393     -3.490036      4.827520
  H      -8.639360     -2.071527      5.424091
  N      -4.992589      2.676956      3.444082
  H      -5.913047      2.197729      3.311907
  H      -4.673462      3.032237      2.535581
89
Coordinates from ORCA-job orca E -6086.324411729776
  N      -2.389330      1.708037      4.311866
  Mo     -3.974405      2.628434      5.040400
  N      -5.123031      1.523585      6.161942
  C      -4.677235      1.031148      7.464150
  C      -3.158088      1.053835      7.527443
  N      -2.652862      2.299319      6.894874
  C      -1.259440      2.160041      6.410815
  C      -1.259457      1.321416      5.149517
  C      -2.810891      3.496094      7.762274
  C      -2.893505      4.724803      6.868291
  N      -3.833921      4.439460      5.785793
  H      -0.314195      1.482574      4.602092
  H      -1.301407      0.238995      5.383032
  H      -0.892948      3.167629      6.172901
  H      -0.609426      1.732897      7.193357
  H      -3.241147      5.588175      7.460025
  H      -1.896675      4.997598      6.477331
  H      -3.756967      3.387063      8.308679
  H      -1.986583      3.558644      8.492898
  H      -5.029971     -0.001157      7.634090
  H      -5.119904      1.652092      8.266945
  H      -2.754881      0.211295      6.950093
  H      -2.796121      0.962927      8.565608
  C      -2.377157      1.053988      2.995287
  C      -3.203133     -0.245970      2.910301
  C      -4.293916     -0.220069      1.859358
  N      -4.272680      0.753654      0.962076
  C      -5.255872      0.778723      0.022848
  N      -6.259992     -0.063488     -0.103773
  C      -6.300206     -1.089642      0.799291
  C      -7.351020     -2.035719      0.715831
  C      -7.410465     -3.083703      1.610192
  C      -6.428243     -3.226875      2.617583
  C      -5.395470     -2.316433      2.724874
  C      -5.310673     -1.225260      1.824264
  C      -4.697772      5.550787      5.390487
  C      -4.006343      6.571724      4.454796
  C      -3.776804      5.968927      3.098011
  N      -4.827553      5.970303      2.282468
  C      -4.699590      5.328815      1.093302
  N      -3.650859      4.661116      0.647977
  C      -2.547514      4.666872      1.455328
  C      -1.381584      3.981381      1.033446
  C      -0.253721      3.985766      1.826159
  C      -0.241137      4.675648      3.061948
  C      -1.366681      5.338810      3.503125
  C      -2.549374      5.343476      2.719128
  C      -6.550122      1.332390      5.893097
  C      -6.867634      0.005849      5.157879
  C      -7.840693      0.190935      4.018231
  N      -7.594535      1.215826      3.206577
  C      -8.421671      1.414491      2.147156
  N      -9.473222      0.696245      1.820589
  C      -9.748241     -0.371037      2.626981
  C     -10.852414     -1.197990      2.308359
  C     -11.142901     -2.295127      3.090710
  C     -10.349039     -2.604746      4.221011
  C      -9.270958     -1.814087      4.558709
  C      -8.941925     -0.679657      3.773025
  H      -2.767603      1.748821      2.242683
  H      -1.327355      0.859608      2.726062
  H      -3.658704     -0.454931      3.891301
  H      -2.552536     -1.110340      2.696376
  H      -5.196388      1.600601     -0.697594
  H      -8.099279     -1.903142     -0.066320
  H      -8.225059     -3.806994      1.547360
  H      -6.489681     -4.065693      3.312607
  H      -4.638932     -2.444486      3.500337
  H      -5.584568      5.159200      4.874259
  H      -5.045742      6.078200      6.295931
  H      -4.682939      7.429201      4.334803
  H      -3.077204      6.930613      4.916711
  H      -5.579318      5.358022      0.442529
  H      -1.410686      3.465405      0.072996
  H       0.645110      3.464409      1.492822
  H       0.669632      4.685969      3.662947
  H      -1.346481      5.872742      4.452870
  H      -7.108067      1.383919      6.842873
  H      -6.906093      2.163638      5.270802
  H      -5.931864     -0.363200      4.708998
  H      -7.207085     -0.764176      5.858761
  H      -8.172353      2.263218      1.503277
  H     -11.448933     -0.940230      1.432479
  H     -11.992039     -2.933324      2.841298
  H     -10.594326     -3.477230      4.828183
  H      -8.665466     -2.072397      5.427002
  N      -5.011170      2.677372      3.428594
  H      -5.929834      2.190334      3.304285
  H      -4.697173      3.029199      2.517236
89
Coordinates from ORCA-job orca E -6086.324465089336
  N      -2.393804      1.718826      4.299554
  Mo     -3.976223      2.637172      5.036991
  N      -5.120443      1.524875      6.157334
  C      -4.664786      1.017043      7.449807
  C      -3.145069      1.047049      7.503929
  N      -2.649895      2.302545      6.883667
  C      -1.256987      2.180029      6.393942
  C      -1.252374      1.348090      5.128321
  C      -2.816458      3.489332      7.761972
  C      -2.904649      4.727067      6.881182
  N      -3.837525      4.446114      5.790873
  H      -0.312740      1.526161      4.576343
  H      -1.276500      0.264001      5.356237
  H      -0.902930      3.193193      6.160918
  H      -0.600083      1.754878      7.171764
  H      -3.263813      5.579548      7.481539
  H      -1.907847      5.011440      6.498606
  H      -3.761538      3.368428      8.307600
  H      -1.993546      3.549425      8.494693
  H      -5.010914     -0.019244      7.608736
  H      -5.105309      1.623949      8.264584
  H      -2.742582      0.214670      6.911418
  H      -2.774680      0.943451      8.537857
  C      -2.388637      1.053684      2.988351
  C      -3.219260     -0.243687      2.918137
  C      -4.307452     -0.228681      1.864974
  N      -4.289246      0.739785      0.962101
  C      -5.271265      0.753925      0.021685
  N      -6.270355     -0.094338     -0.102693
  C      -6.307087     -1.115232      0.806164
  C      -7.352575     -2.067558      0.726078
  C      -7.408450     -3.110463      1.626665
  C      -6.428006     -3.241906      2.637186
  C      -5.400469     -2.325194      2.741148
  C      -5.319166     -1.239300      1.834147
  C      -4.693354      5.563104      5.393323
  C      -3.990109      6.585016      4.468174
  C      -3.763318      5.991074      3.107389
  N      -4.811886      6.011013      2.289527
  C      -4.689462      5.377013      1.095734
  N      -3.649049      4.696655      0.649675
  C      -2.548492      4.681570      1.460802
  C      -1.392062      3.979503      1.039516
  C      -0.266449      3.962211      1.835464
  C      -0.247210      4.646436      3.074542
  C      -1.363426      5.325884      3.514439
  C      -2.543848      5.351646      2.727810
  C      -6.549548      1.339884      5.896158
  C      -6.877373      0.012440      5.166884
  C      -7.842711      0.195171      4.020404
  N      -7.590438      1.216290      3.206193
  C      -8.408560      1.411418      2.139173
  N      -9.456376      0.690923      1.806581
  C      -9.738010     -0.373091      2.615133
  C     -10.837684     -1.202738      2.288606
  C     -11.134081     -2.297475      3.072107
  C     -10.351451     -2.601087      4.211620
  C      -9.277871     -1.807636      4.556970
  C      -8.942398     -0.675996      3.770073
  H      -2.776866      1.744299      2.230704
  H      -1.340947      0.849857      2.717932
  H      -3.676817     -0.437477      3.901306
  H      -2.571890     -1.113511      2.716870
  H      -5.215161      1.572687     -0.702552
  H      -8.099659     -1.943799     -0.058570
  H      -8.218770     -3.838623      1.566677
  H      -6.486736     -4.076416      3.337544
  H      -4.645884     -2.442525      3.520132
  H      -5.578538      5.177490      4.870256
  H      -5.044315      6.088757      6.298730
  H      -4.660179      7.448530      4.354633
  H      -3.059713      6.933428      4.935351
  H      -5.565619      5.425717      0.441576
  H      -1.425768      3.469723      0.075968
  H       0.624742      3.426659      1.503440
  H       0.662141      4.641036      3.677607
  H      -1.337123      5.856315      4.466054
  H      -7.101202      1.394628      6.849528
  H      -6.906667      2.172598      5.276353
  H      -5.943076     -0.369707      4.726433
  H      -7.228183     -0.750159      5.870371
  H      -8.153982      2.258005      1.494558
  H     -11.425322     -0.949476      1.405523
  H     -11.978846     -2.938729      2.815859
  H     -10.601751     -3.471319      4.819897
  H      -8.680476     -2.062217      5.431911
  N      -5.012732      2.689672      3.425899
  H      -5.928681      2.195399      3.299582
  H      -4.699791      3.046013      2.515831
89
Coordinates from ORCA-job orca E -6086.324501703797
  N      -2.401861      1.739647      4.279775
  Mo     -3.984804      2.648127      5.029652
  N      -5.118519      1.521966      6.147688
  C      -4.650466      0.993445      7.426711
  C      -3.130775      1.037625      7.472289
  N      -2.651310      2.306045      6.866345
  C      -1.258748      2.204781      6.370585
  C      -1.249296      1.382449      5.098711
  C      -2.830310      3.479450      7.759606
  C      -2.927977      4.729275      6.897200
  N      -3.850762      4.453004      5.796147
  H      -0.315238      1.577173      4.542940
  H      -1.257063      0.296486      5.318758
  H      -0.919588      3.224336      6.143939
  H      -0.593473      1.781626      7.142252
  H      -3.304299      5.565794      7.509328
  H      -1.931921      5.032887      6.527519
  H      -3.775254      3.342568      8.301750
  H      -2.010331      3.536541      8.496198
  H      -4.984650     -0.049481      7.567587
  H      -5.093170      1.578443      8.256329
  H      -2.725447      0.217227      6.865021
  H      -2.751533      0.922057      8.501719
  C      -2.404411      1.064712      2.973918
  C      -3.236923     -0.231437      2.917561
  C      -4.323440     -0.226010      1.863369
  N      -4.309309      0.738697      0.956308
  C      -5.290325      0.741565      0.013827
  N      -6.283383     -0.113708     -0.108810
  C      -6.316894     -1.129296      0.806558
  C      -7.357199     -2.087458      0.730243
  C      -7.409731     -3.125017      1.637334
  C      -6.431016     -3.244823      2.651008
  C      -5.408232     -2.322368      2.750951
  C      -5.330134     -1.242099      1.836985
  C      -4.694524      5.574675      5.387759
  C      -3.974891      6.592634      4.469794
  C      -3.741812      5.996933      3.111032
  N      -4.784092      6.022681      2.285471
  C      -4.657278      5.385805      1.093326
  N      -3.617836      4.698351      0.655305
  C      -2.523153      4.678565      1.473952
  C      -1.365963      3.973246      1.059309
  C      -0.244357      3.952874      1.861331
  C      -0.231969      4.634494      3.102130
  C      -1.348404      5.318622      3.534579
  C      -2.523748      5.349377      2.740618
  C      -6.550057      1.344001      5.898776
  C      -6.889706      0.012713      5.183656
  C      -7.847375      0.191270      4.031036
  N      -7.591288      1.210883      3.216275
  C      -8.405566      1.405373      2.146089
  N      -9.451385      0.683411      1.809775
  C      -9.735331     -0.380598      2.617550
  C     -10.833346     -1.211027      2.287033
  C     -11.133124     -2.304600      3.071128
  C     -10.355484     -2.606210      4.214593
  C      -9.283881     -1.811734      4.563922
  C      -8.945241     -0.681115      3.776939
  H      -2.793365      1.751783      2.213274
  H      -1.358742      0.854410      2.700344
  H      -3.694445     -0.412763      3.903363
  H      -2.592154     -1.105740      2.727272
  H      -5.237639      1.557024     -0.714490
  H      -8.103081     -1.972478     -0.056926
  H      -8.215411     -3.858349      1.579567
  H      -6.486627     -4.075440      3.356277
  H      -4.654742     -2.430064      3.532406
  H      -5.575784      5.194459      4.854176
  H      -5.053856      6.102996      6.288318
  H      -4.640580      7.459084      4.351968
  H      -3.046653      6.937517      4.943771
  H      -5.527622      5.441885      0.432106
  H      -1.395257      3.464547      0.095041
  H       0.648054      3.415858      1.534328
  H       0.673032      4.625134      3.711778
  H      -1.324778      5.849889      4.485723
  H      -7.093672      1.408730      6.856466
  H      -6.907883      2.174907      5.277292
  H      -5.957622     -0.386318      4.752749
  H      -7.252539     -0.738221      5.893824
  H      -8.149996      2.252908      1.503266
  H     -11.417221     -0.958855      1.401128
  H     -11.976836     -2.946465      2.812404
  H     -10.609118     -3.474953      4.823677
  H      -8.691475     -2.064230      5.442926
  N      -5.027210      2.699398      3.421601
  H      -5.942790      2.203691      3.300847
  H      -4.722023      3.059961      2.510360
89
Coordinates from ORCA-job orca E -6086.324528505348
  N      -2.410772      1.747278      4.270126
  Mo     -3.988007      2.660599      5.025841
  N      -5.122238      1.532045      6.142908
  C      -4.650743      0.995641      7.416538
  C      -3.130981      1.038624      7.458073
  N      -2.651816      2.309586      6.858415
  C      -1.260787      2.211438      6.358474
  C      -1.253154      1.393939      5.083498
  C      -2.829876      3.477440      7.758819
  C      -2.930850      4.733260      6.905992
  N      -3.849260      4.462231      5.800179
  H      -0.322046      1.594422      4.524877
  H      -1.255944      0.307278      5.299855
  H      -0.923999      3.232324      6.134708
  H      -0.592745      1.786117      7.126518
  H      -3.313577      5.562745      7.523728
  H      -1.934821      5.043963      6.542150
  H      -3.773154      3.336494      8.302869
  H      -2.008567      3.530997      8.494203
  H      -4.983795     -0.048532      7.551888
  H      -5.091494      1.574664      8.251442
  H      -2.729039      0.220955      6.844851
  H      -2.748381      0.916101      8.485485
  C      -2.419116      1.066555      2.967356
  C      -3.256157     -0.226878      2.918679
  C      -4.344551     -0.226018      1.866437
  N      -4.339201      0.739777      0.960345
  C      -5.321866      0.735521      0.018991
  N      -6.307773     -0.127760     -0.103584
  C      -6.332961     -1.143671      0.812038
  C      -7.365689     -2.109925      0.736458
  C      -7.409746     -3.147595      1.643880
  C      -6.429785     -3.259361      2.657300
  C      -5.414076     -2.329193      2.756269
  C      -5.344432     -1.248872      1.841597
  C      -4.685020      5.589270      5.390535
  C      -3.954836      6.604273      4.476400
  C      -3.722939      6.010245      3.116966
  N      -4.762579      6.046152      2.288576
  C      -4.637504      5.410350      1.095735
  N      -3.602651      4.715200      0.659088
  C      -2.510443      4.685660      1.480306
  C      -1.357619      3.972671      1.066876
  C      -0.238555      3.940713      1.871905
  C      -0.224919      4.617539      3.115301
  C      -1.336705      5.310210      3.546059
  C      -2.509203      5.353487      2.748513
  C      -6.554325      1.354178      5.898413
  C      -6.898051      0.020682      5.189942
  C      -7.849775      0.194028      4.031995
  N      -7.596521      1.214391      3.217352
  C      -8.408799      1.403074      2.144433
  N      -9.448768      0.674406      1.804523
  C      -9.728263     -0.391428      2.610923
  C     -10.819778     -1.228955      2.276551
  C     -11.115612     -2.324036      3.060032
  C     -10.340037     -2.620317      4.206286
  C      -9.274852     -1.818749      4.559304
  C      -8.940580     -0.686155      3.773320
  H      -2.806806      1.752927      2.205127
  H      -1.375092      0.849856      2.692536
  H      -3.712423     -0.400332      3.906598
  H      -2.614656     -1.104709      2.733809
  H      -5.277030      1.552358     -0.708328
  H      -8.112618     -2.001068     -0.050611
  H      -8.209329     -3.887490      1.586525
  H      -6.478470     -4.090174      3.362842
  H      -4.658953     -2.430643      3.536979
  H      -5.566846      5.216065      4.852796
  H      -5.044386      6.118609      6.290423
  H      -4.614053      7.475770      4.359025
  H      -3.025371      6.941188      4.953422
  H      -5.505910      5.473981      0.432860
  H      -1.388149      3.467039      0.101017
  H       0.650663      3.398529      1.545742
  H       0.677291      4.597330      3.728870
  H      -1.311154      5.837854      4.499157
  H      -7.093968      1.421241      6.858405
  H      -6.914529      2.184039      5.277024
  H      -5.965554     -0.387408      4.767445
  H      -7.268803     -0.723176      5.903595
  H      -8.157311      2.252367      1.502822
  H     -11.402064     -0.980506      1.388557
  H     -11.954524     -2.971145      2.798611
  H     -10.590460     -3.490314      4.814926
  H      -8.684539     -2.066973      5.440943
  N      -5.033605      2.715656      3.419127
  H      -5.947931      2.218867      3.299366
  H      -4.729326      3.076343      2.507364
89
Coordinates from ORCA-job orca E -6086.324587974856
  N      -2.433995      1.776043      4.231443
  Mo     -4.002631      2.683767      5.009853
  N      -5.124188      1.539023      6.124985
  C      -4.634619      0.979570      7.380790
  C      -3.114612      1.033373      7.407068
  N      -2.651832      2.318154      6.825546
  C      -1.264945      2.244575      6.311106
  C      -1.257915      1.441394      5.026537
  C      -2.836898      3.467820      7.747270
  C      -2.953811      4.738981      6.919833
  N      -3.860933      4.477648      5.802712
  H      -0.338819      1.666969      4.457612
  H      -1.235783      0.352819      5.231580
  H      -0.944895      3.272734      6.096397
  H      -0.583111      1.819634      7.067145
  H      -3.355282      5.548514      7.552162
  H      -1.960708      5.074782      6.570039
  H      -3.776417      3.308030      8.292607
  H      -2.013477      3.516237      8.480453
  H      -4.956446     -0.070687      7.497541
  H      -5.072117      1.536285      8.232495
  H      -2.713405      0.229089      6.775945
  H      -2.720037      0.895454      8.428054
  C      -2.459481      1.080544      2.936677
  C      -3.301596     -0.210244      2.913228
  C      -4.397741     -0.224136      1.868823
  N      -4.413227      0.740535      0.961846
  C      -5.401004      0.718640      0.025455
  N      -6.372289     -0.161354     -0.091800
  C      -6.377027     -1.175529      0.826487
  C      -7.393182     -2.159409      0.756549
  C      -7.416784     -3.195233      1.666688
  C      -6.432037     -3.287454      2.677535
  C      -5.431625     -2.340379      2.770466
  C      -5.382735     -1.261744      1.852226
  C      -4.678812      5.614742      5.385698
  C      -3.923937      6.623815      4.483571
  C      -3.676504      6.025283      3.129122
  N      -4.704244      6.063499      2.286097
  C      -4.566133      5.420471      1.098626
  N      -3.529615      4.717143      0.679630
  C      -2.448678      4.686701      1.515115
  C      -1.293665      3.967014      1.120169
  C      -0.185713      3.933240      1.939918
  C      -0.185467      4.615470      3.180347
  C      -1.299381      5.315384      3.593174
  C      -2.461158      5.360477      2.780030
  C      -6.559526      1.365058      5.900514
  C      -6.919462      0.027801      5.207974
  C      -7.860943      0.195910      4.041110
  N      -7.611531      1.218735      3.228302
  C      -8.419584      1.399538      2.150566
  N      -9.450493      0.661567      1.803587
  C      -9.723822     -0.408126      2.606526
  C     -10.805102     -1.256021      2.264645
  C     -11.094811     -2.354903      3.044943
  C     -10.322450     -2.645374      4.194872
  C      -9.267471     -1.833551      4.555212
  C      -8.940206     -0.696220      3.773143
  H      -2.854796      1.760839      2.172428
  H      -1.419739      0.856898      2.651899
  H      -3.752391     -0.364829      3.906965
  H      -2.664603     -1.093722      2.740791
  H      -5.373438      1.534818     -0.703349
  H      -8.144047     -2.065559     -0.028693
  H      -8.203527     -3.949026      1.613664
  H      -6.464370     -4.116869      3.385603
  H      -4.671446     -2.427233      3.547989
  H      -5.556638      5.253941      4.833189
  H      -5.045288      6.145364      6.281847
  H      -4.572805      7.501500      4.355113
  H      -2.998958      6.951520      4.975013
  H      -5.426074      5.483454      0.424750
  H      -1.313654      3.457318      0.156153
  H       0.705721      3.387487      1.627344
  H       0.707535      4.592353      3.807183
  H      -1.283113      5.847223      4.544091
  H      -7.084668      1.439691      6.868267
  H      -6.925038      2.192908      5.279790
  H      -5.990336     -0.404120      4.800593
  H      -7.308222     -0.698406      5.930222
  H      -8.173104      2.251902      1.511264
  H     -11.384661     -1.011815      1.373725
  H     -11.926192     -3.009419      2.778169
  H     -10.567149     -3.519090      4.800476
  H      -8.679836     -2.077739      5.439721
  N      -5.059250      2.744808      3.410287
  H      -5.969244      2.240685      3.295609
  H      -4.761998      3.108177      2.497167
89
Coordinates from ORCA-job orca E -6086.324640383828
  N      -2.462770      1.808412      4.187440
  Mo     -4.019793      2.710442      4.992648
  N      -5.126597      1.548095      6.106366
  C      -4.618150      0.970410      7.345546
  C      -3.098013      1.032978      7.355636
  N      -2.650358      2.329191      6.789467
  C      -1.269817      2.277267      6.257149
  C      -1.268802      1.488935      4.962866
  C      -2.836616      3.461182      7.732024
  C      -2.972285      4.746405      6.929826
  N      -3.871694      4.495153      5.805060
  H      -0.362980      1.737143      4.382113
  H      -1.224746      0.399039      5.156735
  H      -0.963929      3.311680      6.051794
  H      -0.573245      1.850838      6.998834
  H      -3.389533      5.536498      7.576644
  H      -1.983854      5.107243      6.590884
  H      -3.769972      3.284235      8.282601
  H      -2.007388      3.504664      8.458507
  H      -4.930167     -0.084683      7.447751
  H      -5.050650      1.508746      8.211577
  H      -2.698614      0.239661      6.709772
  H      -2.691690      0.882686      8.370371
  C      -2.507446      1.099441      2.900299
  C      -3.352205     -0.189747      2.904533
  C      -4.461314     -0.219207      1.873750
  N      -4.505266      0.745676      0.968370
  C      -5.500583      0.703425      0.040172
  N      -6.452448     -0.197768     -0.071199
  C      -6.429615     -1.211320      0.847855
  C      -7.423339     -2.217975      0.783358
  C      -7.419414     -3.252902      1.694545
  C      -6.428909     -3.320965      2.701809
  C      -5.449083     -2.352170      2.788585
  C      -5.427486     -1.274777      1.867476
  C      -4.671305      5.642999      5.383293
  C      -3.892970      6.643136      4.489678
  C      -3.629381      6.033580      3.143477
  N      -4.645695      6.066362      2.286325
  C      -4.493518      5.409656      1.108260
  N      -3.453021      4.700785      0.709504
  C      -2.382888      4.676979      1.558623
  C      -1.224233      3.952147      1.185384
  C      -0.128131      3.922617      2.020257
  C      -0.142269      4.616809      3.253707
  C      -1.259934      5.322240      3.645997
  C      -2.410912      5.362232      2.817060
  C      -6.564978      1.374136      5.903836
  C      -6.939024      0.034903      5.222761
  C      -7.868698      0.200603      4.045955
  N      -7.627013      1.231140      3.240409
  C      -8.431576      1.406523      2.158877
  N      -9.452176      0.659163      1.802295
  C      -9.715798     -0.419049      2.596687
  C     -10.786999     -1.276382      2.246169
  C     -11.067759     -2.382868      3.018657
  C     -10.294559     -2.673363      4.168063
  C      -9.249587     -1.852413      4.536851
  C      -8.933268     -0.705527      3.764251
  H      -2.915619      1.772886      2.136188
  H      -1.472365      0.872157      2.602516
  H      -3.793031     -0.327320      3.905355
  H      -2.718663     -1.077153      2.740973
  H      -5.496427      1.520027     -0.688459
  H      -8.179080     -2.142482      0.000869
  H      -8.188331     -4.025090      1.645318
  H      -6.439845     -4.149269      3.411758
  H      -4.682625     -2.421376      3.561621
  H      -5.546767      5.295723      4.818574
  H      -5.041206      6.176329      6.276280
  H      -4.530423      7.526766      4.346085
  H      -2.972530      6.962561      4.994360
  H      -5.346543      5.463240      0.424576
  H      -1.232480      3.433577      0.225930
  H       0.766367      3.373845      1.723900
  H       0.741251      4.595894      3.893917
  H      -1.254079      5.862645      4.592177
  H      -7.074000      1.450964      6.880208
  H      -6.939109      2.201088      5.287288
  H      -6.012988     -0.420229      4.832649
  H      -7.347355     -0.674151      5.951234
  H      -8.192317      2.265323      1.525225
  H     -11.366725     -1.032120      1.355413
  H     -11.892838     -3.042914      2.746406
  H     -10.530472     -3.554416      4.766422
  H      -8.661588     -2.097020      5.420949
  N      -5.091608      2.778981      3.403750
  H      -5.997714      2.268140      3.295455
  H      -4.802067      3.144213      2.489034
89
Coordinates from ORCA-job orca E -6086.324587275513
  N      -2.456484      1.791807      4.210574
  Mo     -4.013161      2.701580      5.006793
  N      -5.129550      1.549651      6.121047
  C      -4.635851      0.996029      7.378348
  C      -3.115533      1.042679      7.401351
  N      -2.649747      2.323759      6.815320
  C      -1.268970      2.243166      6.287561
  C      -1.278855      1.444553      4.999931
  C      -2.818112      3.471348      7.742038
  C      -2.944207      4.745563      6.920676
  N      -3.856701      4.489199      5.808729
  H      -0.362990      1.664698      4.423835
  H      -1.264688      0.355762      5.204688
  H      -0.941804      3.269896      6.075380
  H      -0.582616      1.809624      7.034767
  H      -3.343553      5.552513      7.558049
  H      -1.955109      5.089802      6.566082
  H      -3.750915      3.313471      8.299280
  H      -1.983756      3.516358      8.462110
  H      -4.960746     -0.052744      7.501840
  H      -5.069660      1.559780      8.227283
  H      -2.716391      0.232226      6.777205
  H      -2.721810      0.910069      8.423535
  C      -2.495146      1.096921      2.915214
  C      -3.334202     -0.195958      2.905600
  C      -4.449344     -0.214937      1.881057
  N      -4.497919      0.757971      0.984972
  C      -5.495880      0.722666      0.059926
  N      -6.445325     -0.180258     -0.057612
  C      -6.418925     -1.201340      0.852537
  C      -7.410261     -2.209926      0.780722
  C      -7.403645     -3.251191      1.684483
  C      -6.413490     -3.323293      2.691779
  C      -5.435557     -2.353122      2.785062
  C      -5.415795     -1.270208      1.870353
  C      -4.665846      5.632787      5.394091
  C      -3.907220      6.629009      4.480381
  C      -3.657735      6.009952      3.135554
  N      -4.687553      6.023674      2.293822
  C      -4.544763      5.360874      1.118200
  N      -3.498974      4.668062      0.705911
  C      -2.415435      4.663233      1.538741
  C      -1.251905      3.954918      1.150332
  C      -0.143768      3.945146      1.969150
  C      -0.148467      4.646064      3.198514
  C      -1.271674      5.333010      3.607520
  C      -2.435198      5.352520      2.795274
  C      -6.566286      1.367791      5.906484
  C      -6.928584      0.032270      5.210080
  C      -7.858038      0.206948      4.033234
  N      -7.620125      1.246565      3.238070
  C      -8.427028      1.431111      2.159905
  N      -9.450482      0.689265      1.800660
  C      -9.712118     -0.396409      2.585987
  C     -10.788604     -1.246805      2.234962
  C     -11.067768     -2.359756      2.998332
  C     -10.286548     -2.665244      4.138411
  C      -9.236269     -1.851571      4.507808
  C      -8.922808     -0.696972      3.745478
  H      -2.908374      1.774076      2.157542
  H      -1.457794      0.880893      2.617195
  H      -3.769897     -0.351605      3.905778
  H      -2.697144     -1.077268      2.724320
  H      -5.495600      1.545753     -0.661244
  H      -8.166115     -2.130635     -0.001176
  H      -8.170518     -4.025159      1.629496
  H      -6.423856     -4.155295      3.397356
  H      -4.669535     -2.426171      3.558053
  H      -5.549961      5.279655      4.846687
  H      -5.021633      6.171044      6.289853
  H      -4.549942      7.508758      4.337324
  H      -2.980665      6.955480      4.969281
  H      -5.410362      5.394758      0.448687
  H      -1.266771      3.431951      0.193393
  H       0.754130      3.407886      1.661294
  H       0.745365      4.642646      3.824440
  H      -1.259956      5.876932      4.551712
  H      -7.083551      1.434140      6.878863
  H      -6.940190      2.196676      5.292289
  H      -5.999167     -0.413699      4.818913
  H      -7.335196     -0.685217      5.931095
  H      -8.187535      2.294399      1.531539
  H     -11.374014     -0.991741      1.350996
  H     -11.898442     -3.012762      2.726705
  H     -10.519846     -3.552535      4.728433
  H      -8.641499     -2.107936      5.384003
  N      -5.084143      2.770357      3.419216
  H      -5.993995      2.265008      3.309325
  H      -4.789534      3.130211      2.504728
89
Coordinates from ORCA-job orca E -6086.324635795489
  N      -2.468456      1.806480      4.198605
  Mo     -4.021986      2.714671      5.004053
  N      -5.137986      1.555555      6.109847
  C      -4.636419      0.970419      7.349661
  C      -3.115960      1.025477      7.368359
  N      -2.659757      2.319893      6.803547
  C      -1.278255      2.257895      6.274016
  C      -1.282587      1.468862      4.979778
  C      -2.839123      3.451193      7.747962
  C      -2.963330      4.739535      6.947689
  N      -3.860737      4.497344      5.819128
  H      -0.371259      1.703715      4.402509
  H      -1.254848      0.378536      5.174963
  H      -0.963187      3.289735      6.069038
  H      -0.586426      1.825708      7.016903
  H      -3.378567      5.529759      7.595946
  H      -1.972520      5.099104      6.614194
  H      -3.775445      3.279587      8.295084
  H      -2.011053      3.486312      8.476246
  H      -4.955045     -0.083156      7.446284
  H      -5.071288      1.507749      8.214994
  H      -2.714456      0.229098      6.727780
  H      -2.717223      0.875892      8.386186
  C      -2.516728      1.102277      2.908847
  C      -3.359586     -0.188120      2.911749
  C      -4.468103     -0.218319      1.880713
  N      -4.521579      0.753230      0.983189
  C      -5.517400      0.708164      0.055771
  N      -6.458975     -0.202481     -0.063448
  C      -6.427592     -1.221509      0.848988
  C      -7.414071     -2.235057      0.779436
  C      -7.404329     -3.272661      1.687551
  C      -6.413810     -3.337497      2.694948
  C      -5.440409     -2.362522      2.785524
  C      -5.426115     -1.281443      1.868822
  C      -4.647927      5.651837      5.392546
  C      -3.867422      6.642334      4.490389
  C      -3.618642      6.030478      3.142048
  N      -4.644972      6.060433      2.296705
  C      -4.503646      5.406290      1.115725
  N      -3.463640      4.704947      0.702666
  C      -2.382508      4.686167      1.538224
  C      -1.220272      3.977805      1.144429
  C      -0.110021      3.962498      1.961249
  C      -0.114318      4.652906      3.196810
  C      -1.236603      5.338494      3.611140
  C      -2.400055      5.367125      2.799283
  C      -6.577624      1.389687      5.906240
  C      -6.962373      0.045014      5.240745
  C      -7.879394      0.205358      4.052162
  N      -7.633415      1.233246      3.244457
  C      -8.429195      1.402428      2.155420
  N      -9.446147      0.652747      1.794233
  C      -9.713036     -0.424036      2.589967
  C     -10.777118     -1.287041      2.232220
  C     -11.057745     -2.394439      3.003212
  C     -10.292908     -2.679265      4.159529
  C      -9.255295     -1.852559      4.535820
  C      -8.938165     -0.705472      3.763843
  H      -2.930036      1.776466      2.148952
  H      -1.482127      0.879041      2.606245
  H      -3.801755     -0.328422      3.911615
  H      -2.724873     -1.074363      2.746747
  H      -5.522231      1.530533     -0.666432
  H      -8.170306     -2.161145     -0.002650
  H      -8.169655     -4.048466      1.636402
  H      -6.421149     -4.166918      3.403605
  H      -4.675145     -2.428576      3.559955
  H      -5.529511      5.310410      4.833542
  H      -5.009494      6.193950      6.283747
  H      -4.500341      7.529700      4.350032
  H      -2.940304      6.956442      4.986245
  H      -5.365409      5.456234      0.442815
  H      -1.236249      3.463346      0.182861
  H       0.788775      3.428642      1.647858
  H       0.780262      4.645181      3.821714
  H      -1.223127      5.875816      4.558999
  H      -7.087645      1.483266      6.880449
  H      -6.943350      2.211795      5.278586
  H      -6.039951     -0.432034      4.869720
  H      -7.390969     -0.645443      5.975479
  H      -8.184762      2.257830      1.518817
  H     -11.349740     -1.047850      1.335508
  H     -11.875893     -3.060067      2.724375
  H     -10.527917     -3.561869      4.755897
  H      -8.671546     -2.094740      5.423420
  N      -5.092657      2.788093      3.416277
  H      -5.997818      2.274072      3.306708
  H      -4.803669      3.153826      2.502100
89
Coordinates from ORCA-job orca E -6086.324553828676
  N      -2.450606      1.806761      4.197944
  Mo     -4.013660      2.703948      4.999315
  N      -5.118326      1.539752      6.111143
  C      -4.606851      0.954326      7.346349
  C      -3.086683      1.025792      7.355530
  N      -2.645825      2.327704      6.795129
  C      -1.263352      2.284424      6.265088
  C      -1.256371      1.492618      4.973514
  C      -2.840435      3.457263      7.738523
  C      -2.974146      4.743169      6.936873
  N      -3.875036      4.490830      5.812146
  H      -0.349393      1.741159      4.394642
  H      -1.209314      0.403101      5.168623
  H      -0.965263      3.320590      6.057287
  H      -0.565123      1.864242      7.008771
  H      -3.390772      5.531605      7.586026
  H      -1.985286      5.101764      6.597728
  H      -3.775347      3.275617      8.284896
  H      -2.014695      3.501187      8.469844
  H      -4.915293     -0.102135      7.441849
  H      -5.039893      1.484536      8.217094
  H      -2.684027      0.239756      6.702524
  H      -2.678192      0.870663      8.368517
  C      -2.492379      1.095320      2.912600
  C      -3.332679     -0.196642      2.919097
  C      -4.427259     -0.235888      1.874171
  N      -4.450422      0.714808      0.952603
  C      -5.435688      0.667800      0.014526
  N      -6.395843     -0.225253     -0.093821
  C      -6.393735     -1.224334      0.840973
  C      -7.399719     -2.219426      0.783466
  C      -7.417814     -3.238987      1.712042
  C      -6.436672     -3.303700      2.728574
  C      -5.445186     -2.346050      2.808555
  C      -5.402402     -1.283231      1.871881
  C      -4.676524      5.638910      5.391592
  C      -3.899104      6.643956      4.505178
  C      -3.649383      6.049405      3.149607
  N      -4.669271      6.111179      2.298604
  C      -4.532726      5.476271      1.106546
  N      -3.505905      4.756437      0.691341
  C      -2.433385      4.699994      1.536318
  C      -1.289300      3.960212      1.146506
  C      -0.190545      3.895744      1.977360
  C      -0.191682      4.561920      3.226843
  C      -1.294012      5.284113      3.632762
  C      -2.444672      5.363523      2.806841
  C      -6.557325      1.372430      5.908347
  C      -6.937531      0.033468      5.229938
  C      -7.860110      0.199998      4.047763
  N      -7.600899      1.221607      3.236939
  C      -8.394178      1.402455      2.148159
  N      -9.419965      0.663603      1.788298
  C      -9.702016     -0.407211      2.587128
  C     -10.777328     -1.256347      2.230182
  C     -11.075164     -2.356770      3.005640
  C     -10.317748     -2.646517      4.165452
  C      -9.269250     -1.832926      4.540779
  C      -8.933595     -0.694401      3.764182
  H      -2.899135      1.765740      2.145690
  H      -1.456712      0.867542      2.615953
  H      -3.784686     -0.326102      3.916217
  H      -2.696067     -1.084573      2.769062
  H      -5.415948      1.474270     -0.725608
  H      -8.147857     -2.146678     -0.006718
  H      -8.196845     -4.001314      1.669150
  H      -6.464316     -4.120692      3.451278
  H      -4.688101     -2.410841      3.591377
  H      -5.552502      5.291691      4.827566
  H      -5.045885      6.168857      6.287022
  H      -4.534446      7.531773      4.377686
  H      -2.974502      6.955768      5.007404
  H      -5.385936      5.559763      0.426519
  H      -1.309776      3.460219      0.177370
  H       0.692673      3.334443      1.669231
  H       0.693055      4.512398      3.863927
  H      -1.278262      5.802995      4.590869
  H      -7.067166      1.455286      6.883723
  H      -6.927382      2.199852      5.289983
  H      -6.012924     -0.428608      4.845011
  H      -7.355010     -0.671850      5.957274
  H      -8.139322      2.255455      1.512923
  H     -11.345016     -1.012534      1.331457
  H     -11.901091     -3.013335      2.726539
  H     -10.569228     -3.520944      4.767400
  H      -8.693321     -2.077041      5.433097
  N      -5.080945      2.771123      3.406149
  H      -5.987586      2.258972      3.295107
  H      -4.796094      3.149384      2.494526
89
Coordinates from ORCA-job orca E -6086.324708904496
  N      -2.480218      1.823707      4.174967
  Mo     -4.028390      2.728813      4.992710
  N      -5.134760      1.560798      6.099589
  C      -4.621700      0.968424      7.330986
  C      -3.101276      1.030037      7.339436
  N      -2.653830      2.330066      6.781413
  C      -1.276256      2.279465      6.241136
  C      -1.284309      1.495471      4.944216
  C      -2.832706      3.453822      7.734610
  C      -2.968593      4.746979      6.945047
  N      -3.867412      4.507354      5.817609
  H      -0.380248      1.741315      4.359915
  H      -1.244239      0.404840      5.134881
  H      -0.970025      3.314278      6.037628
  H      -0.575309      1.849312      6.976649
  H      -3.387201      5.529499      7.600561
  H      -1.980962      5.115473      6.611326
  H      -3.764211      3.273759      8.287227
  H      -1.999716      3.488667      8.457200
  H      -4.934492     -0.087439      7.422094
  H      -5.052694      1.497505      8.203428
  H      -2.701167      0.239950      6.690301
  H      -2.695411      0.874179      8.353547
  C      -2.537402      1.113022      2.889346
  C      -3.379070     -0.178058      2.907078
  C      -4.487516     -0.221482      1.876408
  N      -4.542113      0.739368      0.967440
  C      -5.535786      0.680555      0.038433
  N      -6.474845     -0.233908     -0.071884
  C      -6.443207     -1.241463      0.853437
  C      -7.425994     -2.259098      0.793311
  C      -7.414999     -3.285919      1.713590
  C      -6.427127     -3.335285      2.724556
  C      -5.457027     -2.356282      2.806020
  C      -5.443306     -1.286547      1.875928
  C      -4.650916      5.666128      5.394865
  C      -3.859519      6.656588      4.502410
  C      -3.603100      6.045483      3.155417
  N      -4.619993      6.089916      2.299314
  C      -4.474273      5.437393      1.118170
  N      -3.439208      4.723490      0.714582
  C      -2.368392      4.687538      1.562533
  C      -1.214118      3.959651      1.182300
  C      -0.115743      3.921796      2.014002
  C      -0.124342      4.607869      3.251971
  C      -1.239064      5.313413      3.652768
  C      -2.390538      5.365632      2.825198
  C      -6.575223      1.390635      5.907127
  C      -6.962813      0.045864      5.243851
  C      -7.874449      0.204708      4.051179
  N      -7.634090      1.237711      3.248556
  C      -8.429793      1.406513      2.159201
  N      -9.441977      0.652372      1.793604
  C      -9.702456     -0.430095      2.583503
  C     -10.762842     -1.296296      2.222364
  C     -11.038672     -2.408019      2.989076
  C     -10.271667     -2.694505      4.143504
  C      -9.237769     -1.864466      4.523134
  C      -8.926489     -0.712208      3.756488
  H      -2.958348      1.783116      2.129597
  H      -1.505134      0.889003      2.579313
  H      -3.822356     -0.305011      3.908319
  H      -2.744087     -1.066307      2.754383
  H      -5.541579      1.494338     -0.693492
  H      -8.179885     -2.197569      0.007815
  H      -8.176587     -4.065699      1.668977
  H      -6.432976     -4.156845      3.442427
  H      -4.692789     -2.411194      3.582426
  H      -5.531202      5.331702      4.829639
  H      -5.013644      6.204598      6.287772
  H      -4.484830      7.548894      4.359076
  H      -2.934838      6.962886      5.007502
  H      -5.327460      5.501071      0.435478
  H      -1.226983      3.446964      0.219702
  H       0.776560      3.372536      1.711341
  H       0.760758      4.580149      3.889790
  H      -1.229858      5.845133      4.603906
  H      -7.077595      1.481563      6.885694
  H      -6.948352      2.212271      5.283219
  H      -6.040472     -0.437824      4.879857
  H      -7.399117     -0.639381      5.979116
  H      -8.190754      2.266923      1.527464
  H     -11.337356     -1.055298      1.327299
  H     -11.854785     -3.075479      2.708074
  H     -10.502931     -3.580245      4.736807
  H      -8.653597     -2.107068      5.410412
  N      -5.107850      2.805696      3.408906
  H      -6.011439      2.289849      3.302280
  H      -4.825196      3.178102      2.495154
89
Coordinates from ORCA-job orca E -6086.324730538963
  N      -2.480732      1.822912      4.176577
  Mo     -4.029173      2.726608      4.996373
  N      -5.136200      1.558384      6.102188
  C      -4.624115      0.966465      7.334396
  C      -3.103700      1.026648      7.343376
  N      -2.655113      2.325936      6.784210
  C      -1.277363      2.272895      6.244001
  C      -1.286994      1.489339      4.946887
  C      -2.832455      3.450431      7.736890
  C      -2.965287      4.743620      6.946756
  N      -3.865065      4.505503      5.819687
  H      -0.381297      1.731751      4.363699
  H      -1.251400      0.398537      5.137275
  H      -0.969136      3.307108      6.040950
  H      -0.577654      1.840986      6.979630
  H      -3.381726      5.527172      7.602392
  H      -1.977025      5.109556      6.612490
  H      -3.764823      3.272179      8.288679
  H      -2.000095      3.483604      8.460327
  H      -4.938692     -0.088736      7.426188
  H      -5.054521      1.496769      8.206365
  H      -2.703777      0.235931      6.694958
  H      -2.698241      0.871740      8.357720
  C      -2.539185      1.115127      2.889574
  C      -3.378222     -0.177585      2.906909
  C      -4.486455     -0.222109      1.876189
  N      -4.543027      0.739588      0.968156
  C      -5.537598      0.680528      0.040294
  N      -6.475787     -0.234913     -0.069826
  C      -6.442033     -1.243181      0.854447
  C      -7.423899     -2.261829      0.794692
  C      -7.410380     -3.289774      1.713666
  C      -6.420959     -3.339325      2.723022
  C      -5.452056     -2.359170      2.804387
  C      -5.440984     -1.288280      1.875710
  C      -4.648481      5.664301      5.396874
  C      -3.860255      6.654476      4.501659
  C      -3.605564      6.043010      3.154378
  N      -4.625523      6.082099      2.301687
  C      -4.480914      5.429212      1.120593
  N      -3.444010      4.719440      0.714368
  C      -2.370228      4.688996      1.558772
  C      -1.213680      3.966277      1.175148
  C      -0.111700      3.935643      2.002450
  C      -0.118921      4.623871      3.239220
  C      -1.235774      5.324128      3.643250
  C      -2.391087      5.368355      2.820635
  C      -6.577288      1.392211      5.911124
  C      -6.968916      0.047214      5.250718
  C      -7.875156      0.205691      4.053761
  N      -7.628522      1.235424      3.249080
  C      -8.418274      1.403029      2.155255
  N      -9.430780      0.650602      1.787463
  C      -9.697998     -0.428622      2.579712
  C     -10.758854     -1.293119      2.216132
  C     -11.040909     -2.402000      2.984618
  C     -10.280021     -2.687108      4.143375
  C      -9.245776     -1.858639      4.525388
  C      -8.928205     -0.709342      3.756971
  H      -2.963163      1.785712      2.132088
  H      -1.507173      0.893838      2.576758
  H      -3.821767     -0.305638      3.907786
  H      -2.741646     -1.064600      2.753678
  H      -5.545169      1.495134     -0.690604
  H      -8.178917     -2.200236      0.010353
  H      -8.171194     -4.070243      1.669172
  H      -6.424880     -4.161712      3.439885
  H      -4.686824     -2.413996      3.579738
  H      -5.529981      5.328402      4.834517
  H      -5.009503      6.203747      6.289933
  H      -4.488000      7.545148      4.359168
  H      -2.935073      6.963650      5.004141
  H      -5.336308      5.488926      0.440420
  H      -1.227573      3.452225      0.213372
  H       0.782266      3.390175      1.697191
  H       0.769323      4.602953      3.872814
  H      -1.225325      5.858369      4.592873
  H      -7.078522      1.486002      6.890005
  H      -6.948838      2.213976      5.286424
  H      -6.048017     -0.443509      4.892731
  H      -7.412611     -0.632804      5.986489
  H      -8.173504      2.260595      1.521872
  H     -11.328442     -1.053361      1.317650
  H     -11.857064     -3.068457      2.701560
  H     -10.516266     -3.570519      4.738090
  H      -8.666235     -2.100157      5.415974
  N      -5.107810      2.805156      3.412963
  H      -6.010139      2.286527      3.304375
  H      -4.825279      3.180296      2.500229
89
Coordinates from ORCA-job orca E -6086.324783475610
  N      -2.500832      1.842329      4.152668
  Mo     -4.040910      2.742872      4.992010
  N      -5.142672      1.565037      6.092701
  C      -4.621462      0.957694      7.313740
  C      -3.101056      1.018883      7.314370
  N      -2.657042      2.324068      6.765439
  C      -1.283013      2.277685      6.214671
  C      -1.301371      1.503764      4.911911
  C      -2.829598      3.437933      7.731339
  C      -2.964723      4.740592      6.957378
  N      -3.863701      4.515274      5.827162
  H      -0.399837      1.750439      4.324064
  H      -1.264280      0.411683      5.094251
  H      -0.978497      3.313926      6.016949
  H      -0.577132      1.841411      6.941772
  H      -3.383334      5.514360      7.623362
  H      -1.977227      5.113552      6.628819
  H      -3.759949      3.253583      8.284612
  H      -1.994578      3.461995      8.452082
  H      -4.935345     -0.098677      7.394025
  H      -5.046857      1.476457      8.195087
  H      -2.703450      0.234835      6.656605
  H      -2.689996      0.855185      8.325023
  C      -2.576066      1.132442      2.868169
  C      -3.410706     -0.162699      2.903423
  C      -4.518420     -0.225364      1.873399
  N      -4.587083      0.729794      0.959199
  C      -5.581486      0.651972      0.032421
  N      -6.507980     -0.276041     -0.071491
  C      -6.462805     -1.276355      0.860805
  C      -7.432918     -2.306791      0.809672
  C      -7.407924     -3.326533      1.737444
  C      -6.418107     -3.356249      2.747197
  C      -5.460577     -2.364443      2.820229
  C      -5.461607     -1.301521      1.882428
  C      -4.634406      5.682807      5.404711
  C      -3.836044      6.667633      4.512827
  C      -3.578402      6.054325      3.166840
  N      -4.595959      6.093619      2.311260
  C      -4.448613      5.439638      1.131064
  N      -3.411813      4.727136      0.729198
  C      -2.340591      4.696489      1.576598
  C      -1.183142      3.973014      1.196530
  C      -0.082035      3.945383      2.025195
  C      -0.091659      4.636260      3.260496
  C      -1.209687      5.336365      3.661383
  C      -2.363827      5.378117      2.837026
  C      -6.586657      1.407664      5.918299
  C      -6.996249      0.059104      5.276785
  C      -7.881793      0.210069      4.063180
  N      -7.630607      1.238043      3.258189
  C      -8.407572      1.397714      2.153791
  N      -9.412010      0.639585      1.776503
  C      -9.682293     -0.439517      2.568014
  C     -10.733599     -1.310964      2.193661
  C     -11.017571     -2.420371      2.960625
  C     -10.268377     -2.698746      4.128485
  C      -9.243840     -1.863120      4.521093
  C      -8.924566     -0.713202      3.754451
  H      -3.015015      1.799729      2.116497
  H      -1.548422      0.914047      2.539270
  H      -3.856653     -0.275903      3.905025
  H      -2.771918     -1.050499      2.765093
  H      -5.599375      1.461170     -0.704221
  H      -8.188282     -2.260588      0.024658
  H      -8.160002     -4.115725      1.699622
  H      -6.412935     -4.172315      3.471200
  H      -4.694680     -2.403871      3.595796
  H      -5.518006      5.355574      4.840568
  H      -4.992243      6.224013      6.298047
  H      -4.458480      7.561547      4.367534
  H      -2.911394      6.972509      5.018893
  H      -5.301665      5.500043      0.448093
  H      -1.195241      3.457081      0.235789
  H       0.813297      3.400596      1.722026
  H       0.795964      4.618085      3.895001
  H      -1.200878      5.873108      4.609571
  H      -7.075593      1.513862      6.902270
  H      -6.959441      2.226593      5.290781
  H      -6.081857     -0.463108      4.946778
  H      -7.470239     -0.594267      6.018098
  H      -8.159082      2.254302      1.520595
  H     -11.293852     -1.076329      1.288023
  H     -11.825735     -3.092722      2.668955
  H     -10.505778     -3.582718      4.721851
  H      -8.673112     -2.099784      5.418665
  N      -5.129033      2.830565      3.416003
  H      -6.026717      2.303452      3.308848
  H      -4.855421      3.216575      2.505045
89
Coordinates from ORCA-job orca E -6086.324917794729
  N      -2.522627      1.858584      4.130702
  Mo     -4.051389      2.759123      4.991929
  N      -5.154249      1.575798      6.083469
  C      -4.629256      0.956039      7.297989
  C      -3.108812      1.006268      7.292423
  N      -2.657989      2.311921      6.749480
  C      -1.288194      2.255834      6.187426
  C      -1.326175      1.490648      4.880302
  C      -2.811956      3.420216      7.725370
  C      -2.936421      4.729715      6.961393
  N      -3.848101      4.523515      5.837846
  H      -0.422990      1.724082      4.289494
  H      -1.307986      0.396865      5.055269
  H      -0.975497      3.290028      5.992504
  H      -0.581250      1.808489      6.906721
  H      -3.337123      5.504760      7.636998
  H      -1.946879      5.090583      6.626323
  H      -3.741000      3.241280      8.282723
  H      -1.972071      3.428606      8.440948
  H      -4.953201     -0.097449      7.372628
  H      -5.045238      1.473215      8.184716
  H      -2.717239      0.224082      6.629022
  H      -2.696357      0.835255      8.301175
  C      -2.622986      1.158887      2.843555
  C      -3.438836     -0.147907      2.897417
  C      -4.536933     -0.243307      1.860542
  N      -4.610114      0.692938      0.926818
  C      -5.598642      0.585631     -0.002862
  N      -6.515740     -0.353744     -0.092003
  C      -6.466342     -1.333152      0.861434
  C      -7.427357     -2.373266      0.829231
  C      -7.396907     -3.372590      1.778720
  C      -6.410335     -3.372487      2.792102
  C      -5.462611     -2.370312      2.847845
  C      -5.470078     -1.327474      1.887957
  C      -4.613205      5.700415      5.428995
  C      -3.816676      6.685075      4.537166
  C      -3.561752      6.076699      3.187920
  N      -4.581673      6.118567      2.335133
  C      -4.436865      5.470283      1.151438
  N      -3.402436      4.755541      0.746712
  C      -2.330042      4.720534      1.592244
  C      -1.174986      3.994198      1.209152
  C      -0.070160      3.967753      2.033288
  C      -0.074079      4.661233      3.267288
  C      -1.190311      5.362233      3.671450
  C      -2.348180      5.402330      2.852409
  C      -6.601781      1.432208      5.927120
  C      -7.032380      0.080309      5.307185
  C      -7.886434      0.220736      4.069283
  N      -7.626647      1.245087      3.263660
  C      -8.384997      1.395799      2.144697
  N      -9.381210      0.633251      1.755909
  C      -9.659377     -0.444194      2.547541
  C     -10.701393     -1.320916      2.160419
  C     -10.991431     -2.429566      2.926332
  C     -10.258076     -2.701103      4.105496
  C      -9.243054     -1.859692      4.510593
  C      -8.917993     -0.710620      3.745422
  H      -3.093638      1.823352      2.109568
  H      -1.602224      0.958167      2.482774
  H      -3.896434     -0.244982      3.895374
  H      -2.787804     -1.030213      2.783601
  H      -5.620375      1.378311     -0.757139
  H      -8.179931     -2.350753      0.040563
  H      -8.142238     -4.168681      1.754838
  H      -6.400527     -4.173327      3.532862
  H      -4.699190     -2.386703      3.626616
  H      -5.504771      5.380402      4.873282
  H      -4.958668      6.238520      6.329196
  H      -4.438353      7.580235      4.396571
  H      -2.890404      6.988761      5.041446
  H      -5.289629      5.536218      0.468675
  H      -1.191372      3.476930      0.249249
  H       0.823589      3.420955      1.727499
  H       0.817433      4.645595      3.896321
  H      -1.178287      5.901568      4.618115
  H      -7.077079      1.553798      6.915974
  H      -6.974602      2.247818      5.295385
  H      -6.127812     -0.481948      5.017882
  H      -7.550452     -0.536805      6.050622
  H      -8.127589      2.249190      1.510675
  H     -11.248989     -1.091587      1.245758
  H     -11.791387     -3.107012      2.624269
  H     -10.499985     -3.584393      4.698020
  H      -8.684082     -2.091315      5.416856
  N      -5.151499      2.865008      3.425677
  H      -6.044367      2.328821      3.318204
  H      -4.890959      3.272395      2.520321
89
Coordinates from ORCA-job orca E -6086.325119899547
  N      -2.551051      1.883762      4.091288
  Mo     -4.065374      2.780462      4.982802
  N      -5.163071      1.586307      6.066872
  C      -4.626803      0.952327      7.270170
  C      -3.106521      0.993279      7.248560
  N      -2.653424      2.302518      6.716120
  C      -1.290582      2.243429      6.136494
  C      -1.350890      1.492909      4.822090
  C      -2.788010      3.400705      7.706560
  C      -2.908644      4.718994      6.957789
  N      -3.837983      4.533533      5.845390
  H      -0.451431      1.722042      4.223748
  H      -1.342908      0.397157      4.984922
  H      -0.973852      3.277497      5.948174
  H      -0.578199      1.783999      6.842650
  H      -3.288600      5.492713      7.646703
  H      -1.919294      5.068806      6.611107
  H      -3.712492      3.222492      8.271701
  H      -1.940353      3.393684      8.413115
  H      -4.958407     -0.098931      7.339279
  H      -5.028041      1.465408      8.166025
  H      -2.725494      0.217615      6.571597
  H      -2.685625      0.808794      8.251365
  C      -2.684147      1.190546      2.804572
  C      -3.474514     -0.130747      2.886824
  C      -4.563535     -0.271598      1.846503
  N      -4.643773      0.636088      0.885032
  C      -5.627694      0.489549     -0.043605
  N      -6.535131     -0.461955     -0.106695
  C      -6.477530     -1.411904      0.875026
  C      -7.425934     -2.464477      0.871567
  C      -7.384076     -3.436593      1.848335
  C      -6.398939     -3.396274      2.862429
  C      -5.464570     -2.380655      2.891634
  C      -5.483664     -1.365361      1.902852
  C      -4.599254      5.721571      5.458622
  C      -3.801150      6.710714      4.575217
  C      -3.542551      6.110063      3.222858
  N      -4.561091      6.155872      2.368494
  C      -4.416302      5.509906      1.183555
  N      -3.385452      4.787571      0.782429
  C      -2.315756      4.746432      1.630791
  C      -1.166932      4.006855      1.254082
  C      -0.063706      3.975569      2.080058
  C      -0.062089      4.678625      3.308851
  C      -1.172855      5.391318      3.707015
  C      -2.330583      5.433473      2.887948
  C      -6.614148      1.452471      5.933989
  C      -7.061606      0.100920      5.325534
  C      -7.883719      0.233183      4.064840
  N      -7.612375      1.253176      3.258816
  C      -8.349589      1.396047      2.124268
  N      -9.338560      0.631041      1.723113
  C      -9.629200     -0.442893      2.515694
  C     -10.666816     -1.319770      2.117693
  C     -10.969658     -2.424213      2.884996
  C     -10.252967     -2.691281      4.075080
  C      -9.242775     -1.849016      4.490763
  C      -8.906464     -0.703295      3.725780
  H      -3.193685      1.847800      2.090829
  H      -1.673789      1.009579      2.405261
  H      -3.941664     -0.207090      3.882291
  H      -2.806918     -1.003928      2.802911
  H      -5.655687      1.258101     -0.822236
  H      -8.177119     -2.473961      0.081312
  H      -8.118606     -4.242941      1.844731
  H      -6.379494     -4.176975      3.624258
  H      -4.701708     -2.366053      3.670987
  H      -5.497080      5.411947      4.907291
  H      -4.933564      6.249543      6.369048
  H      -4.420515      7.608221      4.439225
  H      -2.876032      7.010502      5.084249
  H      -5.264775      5.584260      0.496289
  H      -1.186428      3.484285      0.297121
  H       0.824443      3.416989      1.779672
  H       0.830201      4.661388      3.936724
  H      -1.157895      5.938610      4.649097
  H      -7.071914      1.578170      6.930551
  H      -6.993429      2.268929      5.307200
  H      -6.165970     -0.492463      5.072657
  H      -7.618850     -0.486999      6.064883
  H      -8.080607      2.245871      1.490013
  H     -11.200864     -1.093993      1.194189
  H     -11.766417     -3.101806      2.574749
  H     -10.504374     -3.571298      4.668564
  H      -8.697099     -2.076876      5.406080
  N      -5.182419      2.912146      3.430466
  H      -6.069359      2.365025      3.321879
  H      -4.937873      3.347713      2.533740
89
Coordinates from ORCA-job orca E -6086.325334024480
  N      -2.580254      1.909058      4.047288
  Mo     -4.078393      2.805207      4.967713
  N      -5.171142      1.602634      6.047020
  C      -4.622608      0.954028      7.238248
  C      -3.102727      0.981732      7.196312
  N      -2.644293      2.293857      6.675316
  C      -1.289481      2.229572      6.077463
  C      -1.374715      1.496124      4.755282
  C      -2.755849      3.381337      7.680428
  C      -2.875579      4.707963      6.947083
  N      -3.830190      4.543775      5.852882
  H      -0.480806      1.722814      4.147576
  H      -1.375787      0.398331      4.904239
  H      -0.966320      3.263135      5.897079
  H      -0.572283      1.755649      6.768997
  H      -3.228775      5.481469      7.650021
  H      -1.888432      5.044370      6.580934
  H      -3.673287      3.203848      8.257034
  H      -1.897887      3.359598      8.374471
  H      -4.962650     -0.094651      7.303524
  H      -5.006381      1.463609      8.143709
  H      -2.737972      0.212508      6.503210
  H      -2.670583      0.779613      8.190997
  C      -2.748517      1.221647      2.761801
  C      -3.508224     -0.115536      2.872945
  C      -4.582389     -0.313372      1.828166
  N      -4.665261      0.554351      0.830442
  C      -5.642164      0.359218     -0.096668
  N      -6.541287     -0.602635     -0.124848
  C      -6.478319     -1.512649      0.893229
  C      -7.416247     -2.574396      0.929062
  C      -7.366400     -3.507695      1.942635
  C      -6.383826     -3.418474      2.956405
  C      -5.460931     -2.392044      2.948513
  C      -5.488703     -1.415820      1.921331
  C      -4.588808      5.744800      5.498493
  C      -3.786585      6.742272      4.629983
  C      -3.527571      6.156209      3.271176
  N      -4.543334      6.218061      2.414432
  C      -4.402753      5.578099      1.225491
  N      -3.381623      4.840442      0.826216
  C      -2.315549      4.781422      1.677979
  C      -1.180049      4.019523      1.306092
  C      -0.080204      3.969222      2.135255
  C      -0.066875      4.678564      3.360807
  C      -1.165579      5.411940      3.754823
  C      -2.321895      5.469951      2.934587
  C      -6.625343      1.471192      5.933859
  C      -7.082037      0.120484      5.330299
  C      -7.875860      0.246833      4.050659
  N      -7.591547      1.263578      3.245669
  C      -8.309252      1.402454      2.097484
  N      -9.292965      0.637361      1.683957
  C      -9.598502     -0.433000      2.476608
  C     -10.635190     -1.306430      2.068587
  C     -10.953959     -2.405882      2.837148
  C     -10.253477     -2.671546      4.036988
  C      -9.244688     -1.832211      4.462424
  C      -8.894124     -0.690430      3.698041
  H      -3.296408      1.870507      2.069320
  H      -1.750436      1.060094      2.323866
  H      -3.986299     -0.171570      3.865085
  H      -2.819044     -0.974576      2.824058
  H      -5.673571      1.093899     -0.907392
  H      -8.165767     -2.621909      0.138419
  H      -8.092053     -4.321852      1.967830
  H      -6.357333     -4.170213      3.746897
  H      -4.700549     -2.338650      3.728884
  H      -5.492968      5.450915      4.949065
  H      -4.910602      6.256385      6.422691
  H      -4.399879      7.645751      4.504665
  H      -2.861281      7.029978      5.145854
  H      -5.245622      5.671176      0.533221
  H      -1.206518      3.495979      0.349641
  H       0.796429      3.390489      1.839928
  H       0.825421      4.648804      3.988432
  H      -1.142026      5.965436      4.693474
  H      -7.069109      1.596535      6.936634
  H      -7.012414      2.288703      5.313287
  H      -6.191158     -0.490216      5.104363
  H      -7.666434     -0.449915      6.062857
  H      -8.028271      2.249871      1.464436
  H     -11.155727     -1.082191      1.136878
  H     -11.750525     -3.080597      2.519458
  H     -10.516323     -3.548212      4.630819
  H      -8.711231     -2.059547      5.385198
  N      -5.218134      2.967936      3.434297
  H      -6.097951      2.407693      3.326621
  H      -4.993429      3.433369      2.547828
89
Coordinates from ORCA-job orca E -6086.325491552315
  N      -2.605664      1.926609      4.019333
  Mo     -4.089831      2.826214      4.960487
  N      -5.185120      1.619683      6.032535
  C      -4.632377      0.953463      7.212778
  C      -3.112618      0.968996      7.160544
  N      -2.646369      2.282743      6.649712
  C      -1.296550      2.211695      6.041052
  C      -1.400022      1.491551      4.713011
  C      -2.739923      3.360320      7.667292
  C      -2.852284      4.695760      6.949096
  N      -3.818632      4.552204      5.862219
  H      -0.508101      1.712968      4.100458
  H      -1.413233      0.392543      4.851883
  H      -0.965138      3.243712      5.866944
  H      -0.578661      1.724693      6.722650
  H      -3.190872      5.465403      7.663355
  H      -1.865329      5.025840      6.576745
  H      -3.655275      3.185124      8.247886
  H      -1.877576      3.323109      8.355280
  H      -4.980760     -0.092980      7.269174
  H      -5.006055      1.456227      8.126189
  H      -2.759177      0.203764      6.457395
  H      -2.675328      0.753240      8.150089
  C      -2.800784      1.245088      2.735087
  C      -3.543990     -0.099355      2.864709
  C      -4.601608     -0.334089      1.812418
  N      -4.684238      0.510534      0.795059
  C      -5.650634      0.282903     -0.136103
  N      -6.540568     -0.688023     -0.148628
  C      -6.478309     -1.572788      0.891486
  C      -7.406938     -2.641989      0.945795
  C      -7.355544     -3.551039      1.981174
  C      -6.380582     -3.429627      2.998992
  C      -5.467468     -2.394866      2.973476
  C      -5.497427     -1.443143      1.923695
  C      -4.567375      5.764891      5.525626
  C      -3.760368      6.764516      4.664402
  C      -3.503054      6.184594      3.302651
  N      -4.519197      6.252914      2.446795
  C      -4.381723      5.616890      1.255336
  N      -3.364613      4.874735      0.854139
  C      -2.298072      4.809591      1.704692
  C      -1.166818      4.042876      1.330436
  C      -0.064735      3.989856      2.156257
  C      -0.044535      4.701681      3.380427
  C      -1.139961      5.438248      3.777681
  C      -2.299226      5.497497      2.961764
  C      -6.641793      1.498321      5.934091
  C      -7.116479      0.143918      5.352618
  C      -7.883555      0.253343      4.054748
  N      -7.588650      1.260840      3.242355
  C      -8.285959      1.382314      2.079347
  N      -9.260717      0.609869      1.658724
  C      -9.576950     -0.451670      2.459299
  C     -10.605883     -1.331606      2.045675
  C     -10.934892     -2.422369      2.822351
  C     -10.251808     -2.673053      4.035293
  C      -9.250935     -1.826941      4.466272
  C      -8.891705     -0.692655      3.694815
  H      -3.372688      1.891857      2.060651
  H      -1.813347      1.094045      2.269433
  H      -4.036214     -0.138803      3.850866
  H      -2.843006     -0.949975      2.845584
  H      -5.682352      0.997242     -0.964790
  H      -8.150437     -2.714649      0.151356
  H      -8.073947     -4.371026      2.020026
  H      -6.352333     -4.163234      3.806326
  H      -4.712942     -2.316453      3.757470
  H      -5.476906      5.485895      4.977194
  H      -4.879715      6.268667      6.457341
  H      -4.369813      7.671308      4.544113
  H      -2.834448      7.045350      5.182953
  H      -5.223139      5.718293      0.562476
  H      -1.197698      3.519324      0.374100
  H       0.808763      3.407711      1.858732
  H       0.850645      4.671533      4.003957
  H      -1.110821      5.995166      4.714193
  H      -7.074177      1.639781      6.939753
  H      -7.027889      2.311515      5.307656
  H      -6.235878     -0.493295      5.160915
  H      -7.729839     -0.394516      6.085823
  H      -7.995568      2.222255      1.440395
  H     -11.111966     -1.119465      1.103214
  H     -11.725731     -3.102038      2.500745
  H     -10.521797     -3.543529      4.635046
  H      -8.730671     -2.043157      5.399232
  N      -5.242253      3.012485      3.438725
  H      -6.110127      2.435018      3.324118
  H      -5.037360      3.512763      2.566848
89
Coordinates from ORCA-job orca E -6086.325703194274
  N      -2.624544      1.929365      3.999929
  Mo     -4.094135      2.841140      4.954570
  N      -5.195769      1.638308      6.027424
  C      -4.641740      0.958025      7.198999
  C      -3.121901      0.954558      7.133155
  N      -2.641497      2.266748      6.630129
  C      -1.296744      2.183934      6.013814
  C      -1.416910      1.478108      4.679381
  C      -2.715177      3.336616      7.656648
  C      -2.823421      4.679040      6.950952
  N      -3.806131      4.552388      5.875791
  H      -0.528295      1.699030      4.062018
  H      -1.438564      0.378161      4.807913
  H      -0.951821      3.213135      5.847995
  H      -0.581676      1.680067      6.685979
  H      -3.148351      5.445568      7.674449
  H      -1.839309      5.004827      6.566882
  H      -3.627007      3.165423      8.243743
  H      -1.847774      3.288117      8.337625
  H      -4.998870     -0.085836      7.252121
  H      -5.004302      1.456980      8.118899
  H      -2.789597      0.190423      6.418677
  H      -2.675381      0.721099      8.114644
  C      -2.842943      1.247247      2.718533
  C      -3.579250     -0.096963      2.866475
  C      -4.606832     -0.376408      1.799124
  N      -4.672581      0.434835      0.754733
  C      -5.618241      0.168368     -0.189224
  N      -6.502367     -0.807343     -0.186496
  C      -6.457498     -1.656709      0.884325
  C      -7.383060     -2.727003      0.956403
  C      -7.348126     -3.600409      2.023142
  C      -6.393276     -3.440243      3.054538
  C      -5.483320     -2.403157      3.010732
  C      -5.497214     -1.488088      1.928685
  C      -4.547441      5.775366      5.564643
  C      -3.739008      6.783943      4.713008
  C      -3.493947      6.220891      3.342329
  N      -4.514753      6.303507      2.493640
  C      -4.386017      5.682978      1.292547
  N      -3.373491      4.943632      0.875256
  C      -2.301183      4.865286      1.717717
  C      -1.173501      4.103478      1.324549
  C      -0.064997      4.039164      2.140825
  C      -0.033509      4.738822      3.371986
  C      -1.125532      5.470755      3.788086
  C      -2.292426      5.537831      2.983631
  C      -6.654893      1.519923      5.931825
  C      -7.143462      0.163547      5.365669
  C      -7.890042      0.261010      4.054641
  N      -7.574288      1.256564      3.234094
  C      -8.246908      1.363063      2.055016
  N      -9.215406      0.587741      1.624530
  C      -9.554431     -0.459285      2.434828
  C     -10.581134     -1.339228      2.015096
  C     -10.933342     -2.414850      2.802675
  C     -10.274983     -2.651570      4.032223
  C      -9.276660     -1.805583      4.469416
  C      -8.896279     -0.684545      3.688452
  H      -3.423745      1.896372      2.053943
  H      -1.863421      1.092097      2.236780
  H      -4.091354     -0.113180      3.843595
  H      -2.869053     -0.939952      2.890643
  H      -5.637834      0.854341     -1.041989
  H      -8.111604     -2.828405      0.151200
  H      -8.064467     -4.421465      2.076546
  H      -6.378219     -4.146021      3.886772
  H      -4.746398     -2.292945      3.807785
  H      -5.461644      5.515778      5.014275
  H      -4.850318      6.267010      6.505891
  H      -4.346105      7.694543      4.609879
  H      -2.808553      7.051489      5.229911
  H      -5.230923      5.798332      0.606023
  H      -1.211610      3.593938      0.360775
  H       0.805620      3.459631      1.829683
  H       0.867336      4.703557      3.987174
  H      -1.083752      6.022138      4.727664
  H      -7.083750      1.675539      6.936971
  H      -7.035791      2.329678      5.298432
  H      -6.267224     -0.484399      5.192056
  H      -7.766485     -0.358800      6.102005
  H      -7.940449      2.193191      1.410270
  H     -11.066253     -1.139387      1.058926
  H     -11.723625     -3.093612      2.477227
  H     -10.561916     -3.511533      4.639407
  H      -8.774760     -2.011951      5.414728
  N      -5.264464      3.056116      3.450377
  H      -6.119596      2.460295      3.332403
  H      -5.084029      3.590971      2.594768
89
Coordinates from ORCA-job orca E -6086.325923466046
  N      -2.659148      1.958121      3.969080
  Mo     -4.110569      2.868330      4.952450
  N      -5.213185      1.657483      6.016457
  C      -4.653132      0.955593      7.172039
  C      -3.133720      0.940905      7.091684
  N      -2.647041      2.256685      6.604971
  C      -1.308958      2.174158      5.974279
  C      -1.446780      1.490043      4.629491
  C      -2.703494      3.310370      7.648780
  C      -2.805402      4.664557      6.964948
  N      -3.795747      4.562473      5.893756
  H      -0.563579      1.715334      4.006014
  H      -1.473858      0.388711      4.742529
  H      -0.957791      3.203191      5.821880
  H      -0.591195      1.654151      6.631082
  H      -3.121872      5.421678      7.702076
  H      -1.822188      4.990888      6.580072
  H      -3.612767      3.138074      8.239475
  H      -1.832175      3.244614      8.323079
  H      -5.017093     -0.086531      7.213012
  H      -5.004487      1.442466      8.102666
  H      -2.815342      0.185267      6.362155
  H      -2.678941      0.688362      8.064488
  C      -2.909312      1.277372      2.692891
  C      -3.632194     -0.070323      2.865114
  C      -4.640310     -0.389202      1.791824
  N      -4.707244      0.399916      0.730741
  C      -5.636893      0.096422     -0.218703
  N      -6.502734     -0.894780     -0.206108
  C      -6.457301     -1.720378      0.883442
  C      -7.366201     -2.803729      0.967631
  C      -7.330188     -3.653030      2.053615
  C      -6.390702     -3.454893      3.092229
  C      -5.497450     -2.404037      3.036671
  C      -5.513768     -1.512853      1.935166
  C      -4.518516      5.798378      5.594727
  C      -3.699617      6.802836      4.746980
  C      -3.463761      6.242550      3.373358
  N      -4.487130      6.333941      2.528679
  C      -4.365280      5.718187      1.324367
  N      -3.359466      4.973451      0.901563
  C      -2.284950      4.884720      1.740026
  C      -1.162966      4.118134      1.339622
  C      -0.049858      4.048186      2.149290
  C      -0.008520      4.746465      3.380585
  C      -1.095349      5.481729      3.804490
  C      -2.266905      5.554238      3.007339
  C      -6.674271      1.552237      5.937005
  C      -7.181792      0.194726      5.392282
  C      -7.895383      0.272219      4.061622
  N      -7.565098      1.256718      3.233486
  C      -8.208409      1.339532      2.036406
  N      -9.162216      0.552837      1.594919
  C      -9.516604     -0.482156      2.413994
  C     -10.529840     -1.372939      1.984963
  C     -10.896157     -2.437013      2.781373
  C     -10.264840     -2.651935      4.028858
  C      -9.279876     -1.795205      4.475057
  C      -8.886686     -0.684922      3.685472
  H      -3.512670      1.925027      2.047717
  H      -1.943157      1.127912      2.183040
  H      -4.158786     -0.066597      3.834615
  H      -2.912777     -0.903851      2.923663
  H      -5.658084      0.763840     -1.085736
  H      -8.082497     -2.934655      0.155957
  H      -8.033448     -4.484512      2.116468
  H      -6.375025     -4.141671      3.939938
  H      -4.772880     -2.264076      3.840073
  H      -5.437461      5.557180      5.044007
  H      -4.812286      6.287304      6.540315
  H      -4.298476      7.719335      4.650169
  H      -2.765104      7.058744      5.262135
  H      -5.212816      5.839730      0.642346
  H      -1.208436      3.610839      0.375200
  H       0.817211      3.465973      1.832428
  H       0.895550      4.707886      3.990519
  H      -1.044149      6.032323      4.743730
  H      -7.089813      1.721427      6.945755
  H      -7.053706      2.360307      5.300949
  H      -6.319499     -0.481374      5.258406
  H      -7.834360     -0.292524      6.127142
  H      -7.889455      2.160061      1.385516
  H     -10.992971     -1.190539      1.014704
  H     -11.676620     -3.123492      2.449367
  H     -10.561927     -3.503630      4.642429
  H      -8.798546     -1.984828      5.434333
  N      -5.295776      3.115217      3.466371
  H      -6.139968      2.505162      3.340195
  H      -5.131461      3.676317      2.624324
89
Coordinates from ORCA-job orca E -6086.326158196131
  N      -2.695806      1.989514      3.943723
  Mo     -4.128416      2.891074      4.959349
  N      -5.227204      1.668654      6.016731
  C      -4.657043      0.951071      7.156251
  C      -3.138558      0.929430      7.057140
  N      -2.650965      2.249948      6.587275
  C      -1.320712      2.174776      5.938797
  C      -1.474109      1.513073      4.582973
  C      -2.693155      3.287091      7.647918
  C      -2.791985      4.651042      6.983822
  N      -3.788282      4.569671      5.915507
  H      -0.599228      1.749830      3.952066
  H      -1.498836      0.410502      4.680061
  H      -0.968025      3.205075      5.801382
  H      -0.596496      1.641300      6.577564
  H      -3.102370      5.399671      7.732426
  H      -1.810653      4.979287      6.598314
  H      -3.599043      3.112121      8.243065
  H      -1.817547      3.207828      8.314794
  H      -5.024791     -0.089980      7.189450
  H      -4.995049      1.427673      8.097154
  H      -2.834264      0.185024      6.310172
  H      -2.672473      0.658024      8.019232
  C      -2.976043      1.310076      2.672873
  C      -3.687731     -0.039860      2.868685
  C      -4.668731     -0.399691      1.783086
  N      -4.725952      0.364426      0.702772
  C      -5.632261      0.025001     -0.257950
  N      -6.481617     -0.979214     -0.240382
  C      -6.446072     -1.779427      0.868864
  C      -7.342317     -2.872303      0.960462
  C      -7.317661     -3.694754      2.067155
  C      -6.401735     -3.460063      3.118629
  C      -5.521570     -2.398794      3.056559
  C      -5.528617     -1.533134      1.935134
  C      -4.494436      5.815212      5.623624
  C      -3.666124      6.814855      4.776262
  C      -3.441661      6.257837      3.398923
  N      -4.468702      6.360612      2.560026
  C      -4.355760      5.752544      1.350998
  N      -3.358666      5.002624      0.919347
  C      -2.281718      4.898943      1.752544
  C      -1.168414      4.124453      1.342612
  C      -0.049900      4.044284      2.144170
  C       0.003441      4.735926      3.377831
  C      -1.075325      5.477058      3.811884
  C      -2.251608      5.561608      3.023017
  C      -6.689009      1.574366      5.953561
  C      -7.210751      0.218809      5.421893
  C      -7.889437      0.279288      4.073045
  N      -7.534517      1.247836      3.236449
  C      -8.140058      1.304322      2.018848
  N      -9.080705      0.509571      1.564672
  C      -9.464064     -0.505174      2.395256
  C     -10.468527     -1.400914      1.956700
  C     -10.862721     -2.445305      2.765095
  C     -10.267582     -2.636376      4.034022
  C      -9.291136     -1.774696      4.489097
  C      -8.870672     -0.683878      3.687040
  H      -3.600738      1.957974      2.049304
  H      -2.024484      1.166767      2.135017
  H      -4.235528     -0.013005      3.825930
  H      -2.960396     -0.862915      2.969072
  H      -5.645329      0.672915     -1.139430
  H      -8.038743     -3.033298      0.137205
  H      -8.010255     -4.534498      2.136196
  H      -6.395595     -4.125330      3.983059
  H      -4.815414     -2.230758      3.870491
  H      -5.417113      5.589208      5.073093
  H      -4.781084      6.304263      6.571414
  H      -4.257347      7.736560      4.686419
  H      -2.726454      7.060483      5.286994
  H      -5.207381      5.881733      0.675886
  H      -1.224169      3.620306      0.377406
  H       0.811884      3.458927      1.819153
  H       0.909793      4.687851      3.983350
  H      -1.013301      6.019599      4.754480
  H      -7.091538      1.747572      6.967227
  H      -7.069702      2.384542      5.320992
  H      -6.363426     -0.483039      5.324818
  H      -7.890600     -0.237536      6.152094
  H      -7.799189      2.108861      1.360024
  H     -10.902788     -1.237435      0.970108
  H     -11.637660     -3.134311      2.426585
  H     -10.586424     -3.473015      4.656848
  H      -8.838941     -1.944017      5.465913
  N      -5.329100      3.171811      3.493703
  H      -6.161416      2.548749      3.356871
  H      -5.179834      3.758432      2.665322
89
Coordinates from ORCA-job orca E -6086.326370113219
  N      -2.725135      2.007099      3.923935
  Mo     -4.140215      2.911295      4.961049
  N      -5.239859      1.683234      6.011882
  C      -4.663549      0.950196      7.138611
  C      -3.146099      0.919966      7.026448
  N      -2.653550      2.243001      6.568716
  C      -1.329997      2.167460      5.906805
  C      -1.499828      1.518562      4.547072
  C      -2.679948      3.267824      7.641665
  C      -2.775126      4.640324      6.994954
  N      -3.777346      4.576340      5.930954
  H      -0.629854      1.756284      3.909871
  H      -1.529636      0.415519      4.635486
  H      -0.973383      3.197225      5.775532
  H      -0.602211      1.624227      6.533254
  H      -3.078206      5.381307      7.754121
  H      -1.794381      4.968791      6.607982
  H      -3.582101      3.091549      8.242069
  H      -1.799499      3.175339      8.300507
  H      -5.037348     -0.088919      7.164544
  H      -4.990038      1.418834      8.087644
  H      -2.853266      0.182809      6.267720
  H      -2.673967      0.633563      7.981262
  C      -3.029856      1.328767      2.657859
  C      -3.735231     -0.021116      2.871949
  C      -4.687839     -0.416422      1.774310
  N      -4.732715      0.324611      0.677441
  C      -5.618159     -0.044881     -0.292183
  N      -6.458023     -1.056922     -0.268451
  C      -6.435648     -1.832375      0.858628
  C      -7.323796     -2.931127      0.958539
  C      -7.311873     -3.728657      2.083628
  C      -6.416441     -3.463131      3.145420
  C      -5.544416     -2.395648      3.075392
  C      -5.539334     -1.554883      1.935218
  C      -4.471681      5.830986      5.649598
  C      -3.637620      6.827142      4.803964
  C      -3.422056      6.275044      3.423072
  N      -4.452370      6.386950      2.589210
  C      -4.347250      5.785824      1.375628
  N      -3.355352      5.034043      0.935370
  C      -2.275916      4.920135      1.763841
  C      -1.167986      4.142724      1.344660
  C      -0.045623      4.054200      2.140142
  C       0.016270      4.738861      3.377369
  C      -1.057658      5.481682      3.820850
  C      -2.237088      5.575577      3.037952
  C      -6.703114      1.599057      5.963360
  C      -7.241807      0.244556      5.447468
  C      -7.888802      0.287437      4.082505
  N      -7.522006      1.248382      3.242546
  C      -8.101301      1.286490      2.011257
  N      -9.028980      0.482178      1.547056
  C      -9.426279     -0.523699      2.382144
  C     -10.421724     -1.425758      1.935741
  C     -10.830267     -2.460520      2.749437
  C     -10.257948     -2.636039      4.031104
  C      -9.291030     -1.767559      4.493970
  C      -8.857727     -0.685176      3.687225
  H      -3.669228      1.976795      2.049677
  H      -2.090408      1.186966      2.098528
  H      -4.307285      0.028864      3.814318
  H      -3.004534     -0.835170      3.013254
  H      -5.621650      0.584400     -1.187279
  H      -8.003855     -3.116888      0.126699
  H      -7.998052     -4.573153      2.159238
  H      -6.420272     -4.109070      4.024535
  H      -4.853786     -2.203717      3.897497
  H      -5.399251      5.618166      5.102042
  H      -4.748906      6.317857      6.601377
  H      -4.222258      7.753744      4.720632
  H      -2.694195      7.063590      5.312305
  H      -5.199620      5.926097      0.703487
  H      -1.230489      3.643892      0.376986
  H       0.812708      3.467886      1.807444
  H       0.925411      4.684460      3.978348
  H      -0.988792      6.018298      4.766608
  H      -7.093258      1.780889      6.980503
  H      -7.084704      2.408321      5.330296
  H      -6.411333     -0.481512      5.388667
  H      -7.950896     -0.178156      6.170585
  H      -7.749794      2.084507      1.349681
  H     -10.837669     -1.274478      0.939246
  H     -11.598949     -3.153930      2.405206
  H     -10.587660     -3.465532      4.658008
  H      -8.857271     -1.924025      5.481333
  N      -5.354748      3.214963      3.511349
  H      -6.177811      2.581615      3.368822
  H      -5.223897      3.826920      2.698816
89
Coordinates from ORCA-job orca E -6086.326621060435
  N      -2.740780      2.000593      3.940191
  Mo     -4.141010      2.916470      4.983270
  N      -5.242047      1.687118      6.031837
  C      -4.660279      0.958749      7.159320
  C      -3.144166      0.924073      7.040629
  N      -2.650113      2.246923      6.583531
  C      -1.332286      2.169061      5.909896
  C      -1.512671      1.512244      4.557284
  C      -2.666278      3.271237      7.657659
  C      -2.762584      4.645003      7.014577
  N      -3.763001      4.580166      5.949854
  H      -0.646113      1.744891      3.913794
  H      -1.543704      0.409907      4.652366
  H      -0.978153      3.198779      5.770345
  H      -0.597762      1.629670      6.532166
  H      -3.064208      5.385074      7.775252
  H      -1.780645      4.972486      6.628059
  H      -3.563599      3.095089      8.265364
  H      -1.779921      3.175151      8.308450
  H      -5.038115     -0.078532      7.193590
  H      -4.975667      1.434913      8.108766
  H      -2.854842      0.187960      6.278879
  H      -2.672165      0.634687      7.994925
  C      -3.051637      1.323329      2.673914
  C      -3.775790     -0.016311      2.891322
  C      -4.684776     -0.428780      1.761620
  N      -4.690662      0.299764      0.655005
  C      -5.546667     -0.075041     -0.338586
  N      -6.392440     -1.083542     -0.332810
  C      -6.407200     -1.848194      0.801220
  C      -7.300090     -2.944989      0.883786
  C      -7.325420     -3.732025      2.016157
  C      -6.461584     -3.460402      3.102778
  C      -5.584948     -2.395560      3.050851
  C      -5.542504     -1.564283      1.904162
  C      -4.457788      5.836282      5.666639
  C      -3.626448      6.823787      4.810878
  C      -3.425952      6.277762      3.424867
  N      -4.465351      6.399580      2.603047
  C      -4.375020      5.811784      1.380881
  N      -3.386893      5.066882      0.919844
  C      -2.300668      4.941672      1.737278
  C      -1.198212      4.167027      1.297886
  C      -0.069541      4.063965      2.083118
  C       0.002292      4.725343      3.332958
  C      -1.066209      5.464749      3.795511
  C      -2.248912      5.578419      3.020839
  C      -6.705856      1.609932      5.989952
  C      -7.257828      0.256725      5.488403
  C      -7.864583      0.276917      4.105414
  N      -7.469636      1.217280      3.256067
  C      -8.015675      1.232498      2.008299
  N      -8.939538      0.426115      1.537661
  C      -9.371710     -0.555097      2.385240
  C     -10.374707     -1.448621      1.936943
  C     -10.821945     -2.455630      2.765642
  C     -10.280990     -2.611412      4.063752
  C      -9.308212     -1.749548      4.528432
  C      -8.836838     -0.693849      3.707048
  H      -3.688102      1.978104      2.069519
  H      -2.117454      1.173225      2.108143
  H      -4.392298      0.068805      3.803723
  H      -3.059183     -0.831518      3.087154
  H      -5.518910      0.547732     -1.238590
  H      -7.954549     -3.138773      0.032647
  H      -8.015071     -4.575138      2.078903
  H      -6.494198     -4.098625      3.987640
  H      -4.915489     -2.200655      3.890446
  H      -5.392297      5.623184      5.131123
  H      -4.724008      6.329753      6.618284
  H      -4.205105      7.755250      4.733377
  H      -2.676594      7.055309      5.310843
  H      -5.230256      5.968639      0.715310
  H      -1.270334      3.681175      0.323652
  H       0.785491      3.483310      1.732985
  H       0.915043      4.655958      3.927918
  H      -0.993143      5.979272      4.754272
  H      -7.089831      1.797360      7.008550
  H      -7.089727      2.416021      5.353610
  H      -6.451598     -0.498324      5.481013
  H      -8.007415     -0.122377      6.196466
  H      -7.639238      2.012045      1.337733
  H     -10.766759     -1.311916      0.928128
  H     -11.597490     -3.141970      2.419977
  H     -10.642194     -3.418554      4.703389
  H      -8.902167     -1.887075      5.530718
  N      -5.366391      3.225425      3.540697
  H      -6.183457      2.587439      3.400514
  H      -5.252868      3.853840      2.739343
89
Coordinates from ORCA-job orca E -6086.326842699784
  N      -2.764736      2.026893      3.928187
  Mo     -4.153989      2.939900      4.987834
  N      -5.245741      1.702001      6.037598
  C      -4.651705      0.972324      7.158379
  C      -3.136808      0.938869      7.026147
  N      -2.647365      2.264373      6.571499
  C      -1.336469      2.192054      5.884013
  C      -1.528864      1.539885      4.530901
  C      -2.653659      3.282498      7.651242
  C      -2.757784      4.659689      7.017026
  N      -3.765985      4.597858      5.960140
  H      -0.669328      1.777683      3.879895
  H      -1.555725      0.437255      4.622262
  H      -0.986530      3.223492      5.744922
  H      -0.593965      1.652433      6.496532
  H      -3.054836      5.395514      7.783287
  H      -1.779052      4.990793      6.624115
  H      -3.544390      3.101777      8.267106
  H      -1.760419      3.183332      8.291984
  H      -5.027866     -0.065446      7.195545
  H      -4.957867      1.446852      8.111615
  H      -2.853482      0.206222      6.259207
  H      -2.657158      0.645053      7.975295
  C      -3.088653      1.350050      2.664277
  C      -3.817205      0.015466      2.888045
  C      -4.687721     -0.422685      1.739066
  N      -4.668896      0.292699      0.624275
  C      -5.492771     -0.102424     -0.388143
  N      -6.327306     -1.120229     -0.394849
  C      -6.365207     -1.872902      0.746414
  C      -7.249665     -2.977083      0.817090
  C      -7.302270     -3.748953      1.958899
  C      -6.473129     -3.455583      3.066729
  C      -5.604258     -2.383686      3.026072
  C      -5.535969     -1.566684      1.870395
  C      -4.449765      5.860462      5.677472
  C      -3.607435      6.829701      4.813724
  C      -3.415282      6.271078      3.431643
  N      -4.450426      6.408027      2.606631
  C      -4.367134      5.814725      1.386572
  N      -3.391956      5.049303      0.931399
  C      -2.311767      4.904976      1.753611
  C      -1.224430      4.105156      1.322012
  C      -0.103120      3.978141      2.114074
  C      -0.023025      4.641234      3.362828
  C      -1.076773      5.406491      3.817452
  C      -2.251691      5.545808      3.035063
  C      -6.710777      1.626017      6.017275
  C      -7.272923      0.276310      5.520117
  C      -7.868692      0.289826      4.132337
  N      -7.481423      1.235046      3.284911
  C      -8.025013      1.245187      2.035584
  N      -8.938082      0.428509      1.561674
  C      -9.362730     -0.557361      2.407975
  C     -10.354783     -1.461764      1.956865
  C     -10.792919     -2.473938      2.784286
  C     -10.253374     -2.624241      4.083600
  C      -9.291419     -1.751801      4.550881
  C      -8.830191     -0.690640      3.730969
  H      -3.727503      2.007642      2.064985
  H      -2.159698      1.195539      2.091066
  H      -4.463199      0.121513      3.777834
  H      -3.105605     -0.792541      3.125931
  H      -5.445625      0.509987     -1.294377
  H      -7.878429     -3.187086     -0.049392
  H      -7.987690     -4.596175      2.013506
  H      -6.527081     -4.081730      3.959094
  H      -4.962402     -2.170570      3.882622
  H      -5.389417      5.656876      5.147336
  H      -4.704527      6.361559      6.628219
  H      -4.171769      7.769615      4.729821
  H      -2.653862      7.049864      5.311386
  H      -5.219112      5.982081      0.719368
  H      -1.302258      3.618161      0.348794
  H       0.740266      3.376888      1.770373
  H       0.884127      4.551732      3.963502
  H      -0.997847      5.921350      4.775647
  H      -7.078797      1.809035      7.042594
  H      -7.104361      2.434612      5.390452
  H      -6.477634     -0.489709      5.529508
  H      -8.034812     -0.086429      6.224229
  H      -7.655116      2.028750      1.366073
  H     -10.745240     -1.329497      0.946892
  H     -11.559387     -3.169074      2.436290
  H     -10.606631     -3.435997      4.721785
  H      -8.885238     -1.885553      5.553730
  N      -5.398540      3.256748      3.562889
  H      -6.200916      2.601170      3.419363
  H      -5.305432      3.900854      2.772036
89
Coordinates from ORCA-job orca E -6086.327172744034
  N      -2.791731      2.030591      3.916176
  Mo     -4.163133      2.954448      4.991462
  N      -5.264582      1.720703      6.036876
  C      -4.674128      0.979663      7.152606
  C      -3.159840      0.925870      7.012430
  N      -2.653448      2.246160      6.560633
  C      -1.347986      2.159457      5.865154
  C      -1.558164      1.521960      4.506365
  C      -2.637341      3.255953      7.647160
  C      -2.729890      4.639503      7.024156
  N      -3.747782      4.597857      5.975647
  H      -0.699910      1.753980      3.851522
  H      -1.599520      0.419127      4.588485
  H      -0.983870      3.186742      5.732121
  H      -0.610103      1.604602      6.469342
  H      -3.014891      5.371729      7.798043
  H      -1.751134      4.965020      6.626819
  H      -3.525650      3.082513      8.268403
  H      -1.741111      3.140399      8.280450
  H      -5.062069     -0.053804      7.189127
  H      -4.972163      1.454064      8.108123
  H      -2.891015      0.191688      6.242858
  H      -2.678500      0.621616      7.957178
  C      -3.143287      1.357251      2.658020
  C      -3.884864      0.035325      2.896366
  C      -4.716870     -0.434568      1.734729
  N      -4.666867      0.254767      0.604955
  C      -5.453724     -0.173436     -0.423249
  N      -6.278371     -1.198559     -0.430929
  C      -6.347615     -1.924256      0.726381
  C      -7.224460     -3.034053      0.794957
  C      -7.309492     -3.777354      1.953589
  C      -6.523059     -3.446825      3.081514
  C      -5.662248     -2.368314      3.042107
  C      -5.560349     -1.582164      1.868094
  C      -4.418533      5.870383      5.709472
  C      -3.575417      6.838171      4.844871
  C      -3.403561      6.285926      3.457577
  N      -4.448640      6.427671      2.646083
  C      -4.376593      5.847218      1.419643
  N      -3.404925      5.088627      0.946368
  C      -2.314105      4.939591      1.753619
  C      -1.227988      4.150970      1.299856
  C      -0.095571      4.023518      2.075278
  C      -0.000265      4.680723      3.326019
  C      -1.052264      5.434807      3.802597
  C      -2.240766      5.569685      3.039629
  C      -6.731021      1.659297      6.030125
  C      -7.308859      0.309076      5.554152
  C      -7.862908      0.295562      4.148693
  N      -7.453402      1.225983      3.295110
  C      -7.962531      1.212837      2.031525
  N      -8.860114      0.386277      1.547570
  C      -9.305993     -0.585329      2.400027
  C     -10.283218     -1.500398      1.939327
  C     -10.741202     -2.498298      2.773016
  C     -10.234186     -2.625834      4.087450
  C      -9.286653     -1.743426      4.563996
  C      -8.809138     -0.694561      3.738605
  H      -3.779221      2.022620      2.063894
  H      -2.222373      1.186288      2.076513
  H      -4.557826      0.168596      3.761645
  H      -3.184461     -0.766398      3.182642
  H      -5.381811      0.414736     -1.343091
  H      -7.821817     -3.270517     -0.086128
  H      -7.988348     -4.629663      2.005621
  H      -6.603207     -4.049655      3.987197
  H      -5.055811     -2.123987      3.915255
  H      -5.364644      5.681575      5.185500
  H      -4.659679      6.366175      6.666353
  H      -4.132453      7.783272      4.773782
  H      -2.615120      7.046735      5.333107
  H      -5.241006      6.010236      0.768113
  H      -1.315817      3.673278      0.323451
  H       0.745638      3.427704      1.716417
  H       0.916637      4.594794      3.911236
  H      -0.959356      5.949189      4.758827
  H      -7.088539      1.858919      7.056079
  H      -7.120437      2.464784      5.397657
  H      -6.530522     -0.471991      5.609286
  H      -8.096392     -0.019339      6.246484
  H      -7.575065      1.985188      1.359053
  H     -10.646811     -1.387387      0.917622
  H     -11.498426     -3.199390      2.418966
  H     -10.600921     -3.427802      4.729474
  H      -8.904360     -1.860431      5.578060
  N      -5.416754      3.300856      3.583098
  H      -6.218314      2.641795      3.436549
  H      -5.331407      3.958845      2.802574
89
Coordinates from ORCA-job orca E -6086.327425655481
  N      -2.829875      2.036864      3.913983
  Mo     -4.178485      2.971566      5.007261
  N      -5.287963      1.742233      6.050451
  C      -4.694948      0.991120      7.158540
  C      -3.182502      0.919506      7.005491
  N      -2.663811      2.236356      6.558518
  C      -1.365996      2.140725      5.849387
  C      -1.594330      1.514636      4.487872
  C      -2.624566      3.238101      7.651890
  C      -2.705890      4.626527      7.038318
  N      -3.730796      4.603100      5.995822
  H      -0.740721      1.744753      3.826399
  H      -1.643434      0.411656      4.562909
  H      -0.993610      3.165306      5.719753
  H      -0.627396      1.575276      6.442827
  H      -2.977608      5.357171      7.818720
  H      -1.726346      4.943429      6.637045
  H      -3.508432      3.071915      8.281590
  H      -1.723211      3.106778      8.274671
  H      -5.094572     -0.037648      7.197087
  H      -4.978034      1.466834      8.117996
  H      -2.927467      0.186807      6.229494
  H      -2.698177      0.603871      7.944989
  C      -3.204214      1.374066      2.656344
  C      -3.944752      0.053351      2.900145
  C      -4.737887     -0.448317      1.724492
  N      -4.681959      0.232463      0.589168
  C      -5.442351     -0.220332     -0.448652
  N      -6.247574     -1.260859     -0.460627
  C      -6.320980     -1.978890      0.701306
  C      -7.175924     -3.105897      0.765299
  C      -7.262881     -3.842666      1.928124
  C      -6.499646     -3.488865      3.064749
  C      -5.661919     -2.392209      3.030636
  C      -5.558680     -1.612624      1.852656
  C      -4.384853      5.886394      5.736205
  C      -3.535825      6.843883      4.865153
  C      -3.385920      6.296806      3.472834
  N      -4.439939      6.452951      2.675587
  C      -4.388535      5.880550      1.444379
  N      -3.427526      5.121546      0.951282
  C      -2.329007      4.955792      1.744254
  C      -1.256289      4.160236      1.271122
  C      -0.115890      4.015867      2.031588
  C       0.000126      4.660272      3.287063
  C      -1.038845      5.419828      3.782803
  C      -2.235103      5.572731      3.035376
  C      -6.755377      1.702509      6.062321
  C      -7.357793      0.361343      5.594526
  C      -7.874703      0.331821      4.175408
  N      -7.445304      1.251654      3.320637
  C      -7.910729      1.211988      2.040621
  N      -8.782436      0.367858      1.540253
  C      -9.250681     -0.591598      2.394646
  C     -10.201602     -1.525081      1.916562
  C     -10.679636     -2.511921      2.752111
  C     -10.219711     -2.609368      4.086305
  C      -9.298660     -1.708274      4.579764
  C      -8.801311     -0.671126      3.751636
  H      -3.847173      2.046482      2.077647
  H      -2.293751      1.203788      2.058778
  H      -4.645372      0.200234      3.741031
  H      -3.246984     -0.735892      3.226071
  H      -5.368217      0.362888     -1.371586
  H      -7.755639     -3.360810     -0.122565
  H      -7.925843     -4.707655      1.976922
  H      -6.581867     -4.086117      3.973956
  H      -5.075458     -2.127140      3.911366
  H      -5.338900      5.711775      5.221870
  H      -4.610016      6.384016      6.696025
  H      -4.078986      7.797611      4.803458
  H      -2.567344      7.037702      5.343593
  H      -5.256290      6.061969      0.802210
  H      -1.360553      3.691045      0.292173
  H       0.715166      3.415522      1.657709
  H       0.923119      4.560323      3.860587
  H      -0.930048      5.923933      4.742698
  H      -7.097063      1.905071      7.093177
  H      -7.142151      2.514242      5.435834
  H      -6.605898     -0.442031      5.688896
  H      -8.174209      0.070545      6.270707
  H      -7.506454      1.975759      1.368466
  H     -10.528639     -1.435470      0.880195
  H     -11.415805     -3.228128      2.384018
  H     -10.602015     -3.402819      4.729956
  H      -8.952291     -1.801294      5.609121
  N      -5.441024      3.347735      3.614962
  H      -6.247427      2.695066      3.470491
  H      -5.366016      4.024048      2.848658
89
Coordinates from ORCA-job orca E -6086.327642927236
  N      -2.859190      2.053655      3.908214
  Mo     -4.191414      2.993533      5.016390
  N      -5.303562      1.764794      6.060014
  C      -4.704934      1.010683      7.163832
  C      -3.194709      0.925715      6.997342
  N      -2.667452      2.239360      6.551384
  C      -1.377092      2.135862      5.829972
  C      -1.621348      1.520965      4.465924
  C      -2.606388      3.235697      7.648723
  C      -2.685246      4.626992      7.041467
  N      -3.723081      4.614802      6.011455
  H      -0.772482      1.752275      3.798926
  H      -1.675302      0.417704      4.532953
  H      -0.997094      3.158087      5.703293
  H      -0.638048      1.560962      6.413599
  H      -2.941983      5.357357      7.827295
  H      -1.708545      4.937707      6.628637
  H      -3.482558      3.074600      8.290557
  H      -1.697399      3.094207      8.257992
  H      -5.110767     -0.015260      7.209044
  H      -4.975218      1.489843      8.125283
  H      -2.952642      0.192627      6.216960
  H      -2.705649      0.601726      7.931740
  C      -3.249486      1.405041      2.647110
  C      -4.004173      0.094199      2.888118
  C      -4.755618     -0.432032      1.696674
  N      -4.676884      0.235886      0.554840
  C      -5.406764     -0.236823     -0.496480
  N      -6.201713     -1.285327     -0.515711
  C      -6.296461     -1.991092      0.652353
  C      -7.137798     -3.128478      0.707840
  C      -7.245279     -3.852541      1.877345
  C      -6.518677     -3.473828      3.029792
  C      -5.694331     -2.366837      3.003550
  C      -5.567728     -1.602662      1.818050
  C      -4.361509      5.908066      5.758751
  C      -3.503739      6.849702      4.878844
  C      -3.370602      6.297421      3.486808
  N      -4.428205      6.465153      2.696791
  C      -4.393593      5.888564      1.466879
  N      -3.444927      5.118929      0.967064
  C      -2.344081      4.938594      1.753378
  C      -1.287252      4.125352      1.275140
  C      -0.146614      3.960712      2.030746
  C      -0.014385      4.601835      3.286472
  C      -1.037394      5.379713      3.786972
  C      -2.233787      5.554451      3.044175
  C      -6.772700      1.734089      6.086536
  C      -7.393308      0.397517      5.630956
  C      -7.876733      0.339339      4.200959
  N      -7.432164      1.244060      3.337887
  C      -7.858824      1.168466      2.045407
  N      -8.703848      0.300898      1.538867
  C      -9.191871     -0.639755      2.403227
  C     -10.120040     -1.593758      1.921045
  C     -10.620032     -2.559228      2.768832
  C     -10.204833     -2.614848      4.120128
  C      -9.306101     -1.693360      4.617642
  C      -8.787310     -0.677839      3.776005
  H      -3.885443      2.091526      2.076615
  H      -2.344652      1.225153      2.043780
  H      -4.733414      0.259321      3.701090
  H      -3.319295     -0.688384      3.255934
  H      -5.316065      0.336575     -1.424358
  H      -7.691867     -3.401118     -0.191371
  H      -7.898184     -4.725654      1.919541
  H      -6.618334     -4.060211      3.944537
  H      -5.138560     -2.079049      3.897151
  H      -5.322998      5.748433      5.253443
  H      -4.569602      6.409185      6.720549
  H      -4.030636      7.812703      4.817715
  H      -2.529021      7.028444      5.350652
  H      -5.262918      6.081381      0.829957
  H      -1.403963      3.657921      0.296515
  H       0.671814      3.345603      1.653648
  H       0.909147      4.484751      3.856332
  H      -0.915290      5.881791      4.746608
  H      -7.102344      1.940564      7.120530
  H      -7.160722      2.547806      5.462834
  H      -6.661558     -0.418631      5.764595
  H      -8.231241      0.140197      6.294996
  H      -7.443273      1.921400      1.367917
  H     -10.413345     -1.536454      0.872143
  H     -11.339557     -3.290966      2.397415
  H     -10.604760     -3.391564      4.773789
  H      -8.994856     -1.752240      5.660797
  N      -5.466779      3.397235      3.643759
  H      -6.270324      2.742806      3.498295
  H      -5.406736      4.093168      2.894116
89
Coordinates from ORCA-job orca E -6086.327920119346
  N      -2.875713      2.053999      3.909430
  Mo     -4.201598      2.992736      5.023849
  N      -5.318160      1.764290      6.064635
  C      -4.716002      1.010543      7.167454
  C      -3.207478      0.919757      6.997690
  N      -2.677074      2.231541      6.553428
  C      -1.388911      2.125202      5.827619
  C      -1.638084      1.516218      4.461189
  C      -2.605631      3.225615      7.652564
  C      -2.680192      4.617256      7.045579
  N      -3.719328      4.612185      6.017067
  H      -0.790185      1.747846      3.793147
  H      -1.694196      0.412669      4.523953
  H      -1.006175      3.146424      5.702972
  H      -0.650382      1.546934      6.408369
  H      -2.930452      5.348999      7.832701
  H      -1.702862      4.922677      6.631647
  H      -3.477926      3.069653      8.301290
  H      -1.692967      3.076565      8.254015
  H      -5.125424     -0.013458      7.217919
  H      -4.980157      1.494116      8.128382
  H      -2.965377      0.185865      6.217360
  H      -2.720223      0.594752      7.932702
  C      -3.273211      1.413207      2.647106
  C      -4.053181      0.119431      2.889748
  C      -4.776344     -0.419458      1.685691
  N      -4.677032      0.239994      0.539733
  C      -5.375003     -0.248997     -0.524901
  N      -6.150462     -1.311886     -0.557288
  C      -6.263583     -2.011101      0.612767
  C      -7.080845     -3.166298      0.653606
  C      -7.210084     -3.880719      1.826923
  C      -6.533896     -3.471884      2.999363
  C      -5.731586     -2.348686      2.986955
  C      -5.578977     -1.597138      1.796765
  C      -4.346156      5.912313      5.763957
  C      -3.480681      6.843454      4.880733
  C      -3.353114      6.296233      3.485788
  N      -4.412739      6.471344      2.700089
  C      -4.380858      5.906808      1.465150
  N      -3.434212      5.141634      0.955791
  C      -2.332697      4.951184      1.738254
  C      -1.278140      4.140714      1.249927
  C      -0.137945      3.963938      2.003102
  C      -0.004503      4.587590      3.267210
  C      -1.024065      5.363518      3.776528
  C      -2.219578      5.552754      3.035402
  C      -6.787009      1.754514      6.115736
  C      -7.432924      0.431694      5.660114
  C      -7.897211      0.361248      4.224814
  N      -7.463742      1.269956      3.361208
  C      -7.879298      1.178300      2.065515
  N      -8.699531      0.289028      1.556595
  C      -9.179396     -0.653341      2.423471
  C     -10.081615     -1.630524      1.939853
  C     -10.575991     -2.594703      2.792358
  C     -10.182330     -2.624624      4.150658
  C      -9.307499     -1.680865      4.649351
  C      -8.791148     -0.670490      3.800578
  H      -3.895680      2.110412      2.074495
  H      -2.369720      1.216989      2.047393
  H      -4.804461      0.307111      3.676666
  H      -3.388422     -0.664160      3.291666
  H      -5.267837      0.317692     -1.454996
  H      -7.599893     -3.460102     -0.259641
  H      -7.844919     -4.767536      1.856942
  H      -6.652475     -4.049344      3.917391
  H      -5.215089     -2.035447      3.895079
  H      -5.312305      5.759327      5.265809
  H      -4.544643      6.415825      6.726426
  H      -3.994430      7.813512      4.821162
  H      -2.502995      7.010940      5.350784
  H      -5.257163      6.095033      0.836673
  H      -1.397018      3.683688      0.266802
  H       0.678384      3.350508      1.618983
  H       0.918195      4.458392      3.835713
  H      -0.902058      5.851290      4.743222
  H      -7.097045      1.951744      7.157565
  H      -7.176223      2.581035      5.508753
  H      -6.728491     -0.403314      5.822789
  H      -8.291326      0.209109      6.311421
  H      -7.474872      1.936335      1.388069
  H     -10.361892     -1.591337      0.886660
  H     -11.274974     -3.345075      2.419358
  H     -10.580319     -3.398394      4.808832
  H      -9.014090     -1.716766      5.698563
  N      -5.478004      3.413800      3.658767
  H      -6.276366      2.757317      3.504413
  H      -5.418427      4.116049      2.914144
89
Coordinates from ORCA-job orca E -6086.328162555164
  N      -2.902980      2.059644      3.894521
  Mo     -4.212713      3.004678      5.024213
  N      -5.332814      1.782051      6.066697
  C      -4.727820      1.010957      7.156649
  C      -3.222265      0.906155      6.971438
  N      -2.681790      2.216987      6.533422
  C      -1.399966      2.101811      5.798323
  C      -1.667269      1.504478      4.431135
  C      -2.590323      3.202421      7.638852
  C      -2.659082      4.600277      7.043910
  N      -3.708218      4.612098      6.025632
  H      -0.822440      1.731044      3.757519
  H      -1.735040      0.401128      4.487134
  H      -1.006695      3.119562      5.676206
  H      -0.664105      1.511657      6.370299
  H      -2.896231      5.326668      7.839717
  H      -1.683137      4.902438      6.623121
  H      -3.457009      3.048966      8.295509
  H      -1.672809      3.040484      8.229564
  H      -5.147660     -0.009269      7.201957
  H      -4.978075      1.488505      8.124247
  H      -2.995368      0.176512      6.182948
  H      -2.730003      0.567330      7.898976
  C      -3.320059      1.423611      2.635952
  C      -4.101890      0.134340      2.890542
  C      -4.796292     -0.432744      1.684838
  N      -4.683589      0.210187      0.531581
  C      -5.349784     -0.309309     -0.538748
  N      -6.101730     -1.389042     -0.570920
  C      -6.229608     -2.070011      0.608005
  C      -7.023899     -3.240965      0.649690
  C      -7.170173     -3.935170      1.833077
  C      -6.534951     -3.489461      3.015081
  C      -5.752899     -2.351927      3.000776
  C      -5.583003     -1.620852      1.800002
  C      -4.325361      5.919901      5.788477
  C      -3.458682      6.848679      4.907159
  C      -3.351205      6.308004      3.508214
  N      -4.413834      6.504448      2.731419
  C      -4.396799      5.952817      1.489979
  N      -3.464809      5.176951      0.968899
  C      -2.361002      4.964266      1.742662
  C      -1.319745      4.145403      1.239683
  C      -0.176048      3.948839      1.982745
  C      -0.024504      4.563602      3.249634
  C      -1.030853      5.347742      3.772797
  C      -2.230021      5.555813      3.042818
  C      -6.800528      1.795301      6.137530
  C      -7.476584      0.485086      5.695652
  C      -7.893392      0.397531      4.247102
  N      -7.441958      1.303370      3.389287
  C      -7.826051      1.202799      2.084126
  N      -8.626325      0.304331      1.559754
  C      -9.120369     -0.638223      2.419423
  C      -9.999582     -1.627289      1.918074
  C     -10.508130     -2.590668      2.763466
  C     -10.153224     -2.606952      4.132446
  C      -9.300285     -1.652333      4.648394
  C      -8.769094     -0.643572      3.806672
  H      -3.944919      2.124587      2.070671
  H      -2.424712      1.221107      2.025652
  H      -4.870972      0.338368      3.655951
  H      -3.444798     -0.637382      3.325563
  H      -5.234396      0.243823     -1.475850
  H      -7.512556     -3.562258     -0.270890
  H      -7.788369     -4.833652      1.863228
  H      -6.666815     -4.051470      3.940824
  H      -5.266776     -2.010631      3.915603
  H      -5.296752      5.779916      5.296666
  H      -4.510637      6.416875      6.756894
  H      -3.962045      7.825073      4.859602
  H      -2.475250      7.001582      5.369674
  H      -5.274585      6.158515      0.868778
  H      -1.451031      3.698962      0.253289
  H       0.630261      3.328149      1.587678
  H       0.901761      4.420651      3.808748
  H      -0.894404      5.829853      4.740668
  H      -7.094012      2.003420      7.182071
  H      -7.182310      2.625288      5.530981
  H      -6.811563     -0.370771      5.907724
  H      -8.365854      0.312435      6.320519
  H      -7.410704      1.961542      1.413098
  H     -10.250585     -1.598556      0.857288
  H     -11.187673     -3.351466      2.376271
  H     -10.562584     -3.379587      4.784871
  H      -9.035442     -1.678729      5.705453
  N      -5.506131      3.442246      3.680088
  H      -6.304557      2.784166      3.531632
  H      -5.467159      4.162016      2.952492
89
Coordinates from ORCA-job orca E -6086.328319278918
  N      -2.902176      2.059277      3.892963
  Mo     -4.212565      3.011383      5.017570
  N      -5.351637      1.802082      6.053802
  C      -4.759663      1.018627      7.142113
  C      -3.255291      0.896678      6.960569
  N      -2.697981      2.203548      6.530617
  C      -1.411795      2.075255      5.805295
  C      -1.677199      1.486436      4.434757
  C      -2.602794      3.185486      7.639054
  C      -2.654690      4.586272      7.048367
  N      -3.698499      4.611781      6.024641
  H      -0.825318      1.705753      3.767545
  H      -1.758213      0.383668      4.485278
  H      -1.004128      3.088094      5.689273
  H      -0.688472      1.473267      6.380955
  H      -2.889596      5.311040      7.846178
  H      -1.673736      4.881947      6.634315
  H      -3.474304      3.038545      8.290660
  H      -1.690116      3.013607      8.234607
  H      -5.192927      0.003611      7.181026
  H      -5.007257      1.495111      8.110992
  H      -3.035283      0.169196      6.168713
  H      -2.769974      0.547062      7.887745
  C      -3.314728      1.434533      2.626735
  C      -4.106074      0.147584      2.868544
  C      -4.773116     -0.418433      1.647645
  N      -4.632917      0.228214      0.500001
  C      -5.269076     -0.290983     -0.588260
  N      -6.013754     -1.374622     -0.643714
  C      -6.173999     -2.056749      0.530372
  C      -6.967942     -3.228651      0.547906
  C      -7.150075     -3.922039      1.726505
  C      -6.550503     -3.476010      2.926977
  C      -5.767342     -2.339162      2.935862
  C      -5.562514     -1.607161      1.740697
  C      -4.308344      5.922933      5.790583
  C      -3.442200      6.849341      4.908288
  C      -3.340066      6.300732      3.511955
  N      -4.409599      6.483080      2.741001
  C      -4.398226      5.918870      1.504697
  N      -3.464724      5.143324      0.985131
  C      -2.353510      4.946535      1.752729
  C      -1.309477      4.130474      1.250183
  C      -0.156691      3.953661      1.984673
  C       0.000859      4.586286      3.242090
  C      -1.008691      5.366375      3.765351
  C      -2.216623      5.553711      3.044735
  C      -6.817406      1.850788      6.134039
  C      -7.530492      0.547797      5.735603
  C      -7.929779      0.413396      4.285853
  N      -7.482203      1.298432      3.404576
  C      -7.863100      1.159801      2.101807
  N      -8.652389      0.239513      1.599552
  C      -9.136281     -0.687426      2.482097
  C      -9.998095     -1.702656      2.003641
  C     -10.496751     -2.650191      2.872664
  C     -10.150442     -2.622828      4.243471
  C      -9.312797     -1.643055      4.737091
  C      -8.790646     -0.650753      3.870445
  H      -3.930339      2.143251      2.061650
  H      -2.416619      1.229942      2.020935
  H      -4.892589      0.359017      3.613978
  H      -3.464415     -0.625259      3.323061
  H      -5.135738      0.267596     -1.519594
  H      -7.426149     -3.551682     -0.387484
  H      -7.767787     -4.821266      1.737580
  H      -6.710334     -4.037780      3.848327
  H      -5.306059     -2.000216      3.864539
  H      -5.280588      5.786867      5.299391
  H      -4.490570      6.419288      6.759980
  H      -3.946331      7.825293      4.859362
  H      -2.457694      7.003630      5.367765
  H      -5.277975      6.119271      0.884476
  H      -1.445289      3.672192      0.269928
  H       0.652726      3.336865      1.588996
  H       0.933933      4.460032      3.793610
  H      -0.867651      5.861745      4.725892
  H      -7.095570      2.091552      7.175973
  H      -7.184729      2.674669      5.510950
  H      -6.905537     -0.323144      6.000911
  H      -8.437844      0.437584      6.349047
  H      -7.454873      1.906192      1.412072
  H     -10.243302     -1.707277      0.941253
  H     -11.160847     -3.432684      2.502726
  H     -10.552962     -3.382459      4.914976
  H      -9.053639     -1.636679      5.795812
  N      -5.499539      3.463646      3.672303
  H      -6.310539      2.818025      3.530414
  H      -5.463467      4.194559      2.956122
89
Coordinates from ORCA-job orca E -6086.328558191406
  N      -2.914815      2.048154      3.887761
  Mo     -4.221595      3.004298      5.012520
  N      -5.363048      1.806398      6.060376
  C      -4.768260      1.021951      7.146277
  C      -3.265681      0.893172      6.956014
  N      -2.704787      2.197230      6.523388
  C      -1.419221      2.063779      5.796868
  C      -1.687683      1.475882      4.425732
  C      -2.604725      3.181127      7.629399
  C      -2.655039      4.579585      7.034272
  N      -3.702668      4.606629      6.014132
  H      -0.837646      1.695893      3.756209
  H      -1.767604      0.373030      4.475539
  H      -1.007211      3.074841      5.680962
  H      -0.698195      1.458845      6.372347
  H      -2.883830      5.307870      7.830670
  H      -1.675028      4.870095      6.614943
  H      -3.474053      3.038454      8.284908
  H      -1.690274      3.009751      8.222278
  H      -5.205007      0.008901      7.189773
  H      -5.007704      1.501278      8.115857
  H      -3.054148      0.165761      6.162000
  H      -2.776718      0.540110      7.879933
  C      -3.330152      1.425082      2.620321
  C      -4.131021      0.143436      2.862508
  C      -4.792715     -0.425980      1.639291
  N      -4.651546      0.223504      0.493089
  C      -5.283666     -0.294251     -0.598041
  N      -6.024103     -1.380416     -0.658251
  C      -6.185631     -2.065858      0.513955
  C      -6.974208     -3.241464      0.525254
  C      -7.157812     -3.938407      1.701428
  C      -6.566252     -3.491801      2.905576
  C      -5.787805     -2.351847      2.920407
  C      -5.578862     -1.617368      1.727381
  C      -4.309431      5.920050      5.784560
  C      -3.437313      6.848810      4.909256
  C      -3.326136      6.308248      3.510286
  N      -4.389037      6.498480      2.732294
  C      -4.369255      5.942335      1.492584
  N      -3.432753      5.170141      0.974069
  C      -2.328556      4.964501      1.749312
  C      -1.284092      4.146937      1.250563
  C      -0.139544      3.958124      1.994755
  C       0.008811      4.579364      3.258750
  C      -1.001307      5.361215      3.777970
  C      -2.201360      5.560399      3.047455
  C      -6.827037      1.878348      6.156801
  C      -7.566404      0.591528      5.759063
  C      -7.954445      0.449970      4.307081
  N      -7.520127      1.342192      3.426334
  C      -7.886915      1.188633      2.120985
  N      -8.644278      0.244495      1.614496
  C      -9.111166     -0.691678      2.495867
  C      -9.935782     -1.734992      2.012907
  C     -10.418665     -2.690593      2.882116
  C     -10.091402     -2.644448      4.257100
  C      -9.288261     -1.638099      4.754651
  C      -8.784393     -0.636779      3.888006
  H      -3.938631      2.139041      2.053992
  H      -2.433368      1.213125      2.015660
  H      -4.920000      0.363622      3.603026
  H      -3.496622     -0.629510      3.326785
  H      -5.153736      0.269924     -1.526485
  H      -7.424772     -3.566034     -0.413327
  H      -7.768682     -4.842314      1.707190
  H      -6.729257     -4.054999      3.825320
  H      -5.331721     -2.013551      3.852014
  H      -5.280719      5.788664      5.290274
  H      -4.492760      6.412197      6.755910
  H      -3.938971      7.825947      4.861788
  H      -2.455327      6.998438      5.375291
  H      -5.241916      6.151938      0.865914
  H      -1.413189      3.696333      0.265946
  H       0.670052      3.340434      1.602340
  H       0.935113      4.442510      3.818985
  H      -0.867129      5.846562      4.744260
  H      -7.090493      2.116345      7.203519
  H      -7.187654      2.711956      5.542904
  H      -6.968820     -0.292030      6.042720
  H      -8.483800      0.512350      6.363315
  H      -7.493975      1.943115      1.432223
  H     -10.167326     -1.753600      0.947688
  H     -11.056323     -3.493438      2.509379
  H     -10.481812     -3.410183      4.928696
  H      -9.044210     -1.616070      5.816789
  N      -5.516133      3.462571      3.676345
  H      -6.326707      2.816042      3.536209
  H      -5.489191      4.200932      2.966507
89
Coordinates from ORCA-job orca E -6086.328734293229
  N      -2.953340      2.060436      3.872933
  Mo     -4.240567      3.017234      5.017580
  N      -5.383786      1.822908      6.070261
  C      -4.781778      1.025315      7.142437
  C      -3.282274      0.886913      6.934149
  N      -2.715160      2.189867      6.508660
  C      -1.437409      2.054167      5.768630
  C      -1.721167      1.481209      4.393070
  C      -2.597267      3.163890      7.621336
  C      -2.641886      4.565606      7.035053
  N      -3.698472      4.607445      6.024391
  H      -0.877780      1.706580      3.717093
  H      -1.802396      0.378165      4.432820
  H      -1.019078      3.063298      5.660253
  H      -0.715603      1.438493      6.331569
  H      -2.856788      5.292156      7.837243
  H      -1.663842      4.849314      6.607500
  H      -3.460702      3.024319      8.285427
  H      -1.678002      2.982258      8.203534
  H      -5.223333      0.014617      7.183604
  H      -5.006130      1.498024      8.118954
  H      -3.086042      0.166610      6.129047
  H      -2.785947      0.519086      7.848418
  C      -3.386856      1.446185      2.605958
  C      -4.189351      0.166761      2.851093
  C      -4.822503     -0.428690      1.623521
  N      -4.673807      0.208081      0.469983
  C      -5.278729     -0.334665     -0.625120
  N      -5.996390     -1.436283     -0.682967
  C      -6.162734     -2.110178      0.495798
  C      -6.922166     -3.304842      0.508852
  C      -7.109992     -3.990669      1.691156
  C      -6.554208     -3.512304      2.900024
  C      -5.803288     -2.354194      2.913142
  C      -5.585980     -1.633699      1.713525
  C      -4.291812      5.928781      5.804840
  C      -3.411636      6.849737      4.926536
  C      -3.310166      6.313963      3.524477
  N      -4.373650      6.518381      2.751106
  C      -4.362885      5.969393      1.508167
  N      -3.436793      5.190781      0.982172
  C      -2.333597      4.967441      1.753433
  C      -1.302042      4.138006      1.248171
  C      -0.159844      3.927312      1.989749
  C      -0.001697      4.536030      3.258417
  C      -0.998859      5.330425      3.783581
  C      -2.196239      5.553273      3.055344
  C      -6.845973      1.916239      6.188140
  C      -7.608201      0.644799      5.787448
  C      -7.954762      0.482441      4.327526
  N      -7.518450      1.376142      3.449936
  C      -7.848450      1.202315      2.137112
  N      -8.575339      0.239664      1.620928
  C      -9.050572     -0.694081      2.500184
  C      -9.853177     -1.750647      2.009585
  C     -10.347938     -2.700710      2.878198
  C     -10.052633     -2.636982      4.259906
  C      -9.272908     -1.615963      4.765204
  C      -8.758768     -0.619871      3.899041
  H      -3.998374      2.167091      2.051489
  H      -2.498510      1.233823      1.989633
  H      -4.993054      0.395392      3.573897
  H      -3.559825     -0.594431      3.341780
  H      -5.140982      0.218924     -1.559193
  H      -7.347234     -3.653353     -0.433358
  H      -7.697635     -4.909973      1.698823
  H      -6.723915     -4.064602      3.825336
  H      -5.375557     -1.990755      3.848803
  H      -5.267579      5.811936      5.315818
  H      -4.463545      6.419403      6.779108
  H      -3.901486      7.832958      4.883831
  H      -2.425918      6.986265      5.389063
  H      -5.237928      6.187318      0.887754
  H      -1.439814      3.693841      0.261610
  H       0.639231      3.299786      1.592959
  H       0.922319      4.380142      3.817972
  H      -0.856333      5.805099      4.753982
  H      -7.093010      2.146428      7.240851
  H      -7.203833      2.761130      5.587688
  H      -7.050582     -0.250923      6.109287
  H      -8.547725      0.607065      6.363153
  H      -7.453105      1.957401      1.450983
  H     -10.060665     -1.782647      0.939542
  H     -10.972057     -3.512109      2.500022
  H     -10.452878     -3.398397      4.930973
  H      -9.058769     -1.575437      5.833479
  N      -5.547037      3.510074      3.705370
  H      -6.360763      2.869270      3.563598
  H      -5.527937      4.264156      3.011126
89
Coordinates from ORCA-job orca E -6086.328787873352
  N      -2.978223      2.050442      3.864416
  Mo     -4.257884      3.014925      5.010957
  N      -5.405878      1.847608      6.088372
  C      -4.807313      1.031877      7.147916
  C      -3.310506      0.879807      6.924035
  N      -2.732485      2.177731      6.497271
  C      -1.455734      2.028244      5.758030
  C      -1.746625      1.463806      4.379158
  C      -2.606506      3.152710      7.607392
  C      -2.640239      4.552041      7.016751
  N      -3.704520      4.603323      6.013573
  H      -0.905061      1.687684      3.700634
  H      -1.833093      0.360955      4.414180
  H      -1.022284      3.031549      5.655536
  H      -0.744199      1.399533      6.319367
  H      -2.841150      5.284055      7.817582
  H      -1.662582      4.822848      6.579924
  H      -3.470364      3.022432      8.272643
  H      -1.688373      2.968725      8.190920
  H      -5.256806      0.024268      7.180865
  H      -5.021209      1.495411      8.131167
  H      -3.134460      0.163463      6.110513
  H      -2.806734      0.498492      7.828713
  C      -3.415788      1.439906      2.596602
  C      -4.197042      0.145133      2.837508
  C      -4.844283     -0.444179      1.614243
  N      -4.724047      0.210250      0.467588
  C      -5.328891     -0.332379     -0.627381
  N      -6.017554     -1.452011     -0.691446
  C      -6.154633     -2.143767      0.481118
  C      -6.885094     -3.356676      0.486591
  C      -7.049363     -4.057758      1.663392
  C      -6.497273     -3.577217      2.873172
  C      -5.770549     -2.403981      2.891853
  C      -5.576983     -1.667759      1.697754
  C      -4.288005      5.929743      5.806052
  C      -3.399369      6.850457      4.932844
  C      -3.300088      6.319426      3.528816
  N      -4.357414      6.539872      2.752028
  C      -4.347234      5.996739      1.506485
  N      -3.432842      5.202465      0.984263
  C      -2.335486      4.961881      1.759137
  C      -1.313829      4.119786      1.255883
  C      -0.176490      3.893220      2.000050
  C      -0.011937      4.501939      3.267915
  C      -0.999315      5.310656      3.790470
  C      -2.193133      5.546961      3.060862
  C      -6.864321      1.979055      6.215284
  C      -7.660188      0.727615      5.819283
  C      -7.964869      0.541965      4.352591
  N      -7.546961      1.449794      3.479663
  C      -7.866733      1.271630      2.164881
  N      -8.568112      0.294147      1.641838
  C      -9.019820     -0.656946      2.514616
  C      -9.790379     -1.733297      2.016513
  C     -10.257159     -2.703200      2.878773
  C      -9.968757     -2.637334      4.261792
  C      -9.223180     -1.594975      4.775031
  C      -8.733385     -0.581647      3.914970
  H      -4.035699      2.157679      2.047452
  H      -2.528124      1.238947      1.975327
  H      -4.983671      0.345070      3.587751
  H      -3.542709     -0.613342      3.299335
  H      -5.210395      0.233270     -1.557083
  H      -7.310071     -3.704236     -0.456054
  H      -7.619524     -4.988173      1.667227
  H      -6.652608     -4.138727      3.795601
  H      -5.348003     -2.040003      3.829622
  H      -5.263404      5.826273      5.313311
  H      -4.456106      6.414790      6.783675
  H      -3.883631      7.836558      4.894695
  H      -2.413488      6.975617      5.397836
  H      -5.218995      6.225626      0.885327
  H      -1.455356      3.678064      0.268602
  H       0.614053      3.253531      1.605726
  H       0.909223      4.335657      3.829344
  H      -0.848841      5.787153      4.758948
  H      -7.101873      2.220937      7.267660
  H      -7.201348      2.829913      5.611459
  H      -7.148895     -0.178871      6.180205
  H      -8.619203      0.741629      6.365721
  H      -7.489058      2.038780      1.482468
  H      -9.992892     -1.766967      0.945569
  H     -10.853322     -3.532747      2.494486
  H     -10.347024     -3.414508      4.927706
  H      -9.016738     -1.551659      5.844947
  N      -5.574329      3.532274      3.717568
  H      -6.414967      2.920441      3.599937
  H      -5.555905      4.290736      3.028196
89
Coordinates from ORCA-job orca E -6086.329033284382
  N      -2.998072      2.057312      3.864759
  Mo     -4.267229      3.030050      5.015434
  N      -5.430285      1.868421      6.082827
  C      -4.841687      1.038876      7.136827
  C      -3.346226      0.873501      6.914409
  N      -2.754909      2.169188      6.498880
  C      -1.478987      2.012796      5.759909
  C      -1.772953      1.456695      4.379426
  C      -2.623078      3.136154      7.615535
  C      -2.639067      4.540609      7.034777
  N      -3.694826      4.607033      6.023642
  H      -0.928332      1.676310      3.703438
  H      -1.869428      0.354786      4.410061
  H      -1.036749      3.012822      5.662820
  H      -0.773158      1.374895      6.318302
  H      -2.839638      5.268648      7.839165
  H      -1.655324      4.805973      6.607869
  H      -3.491492      3.009655      8.275458
  H      -1.709687      2.938909      8.202418
  H      -5.302445      0.035832      7.161435
  H      -5.051166      1.497439      8.123481
  H      -3.175704      0.162373      6.095412
  H      -2.848754      0.480406      7.817470
  C      -3.440239      1.455534      2.594719
  C      -4.221108      0.159191      2.829856
  C      -4.837261     -0.436048      1.593920
  N      -4.698667      0.220840      0.450948
  C      -5.282413     -0.321849     -0.655245
  N      -5.969814     -1.441412     -0.733475
  C      -6.126557     -2.134866      0.435145
  C      -6.860636     -3.345845      0.426856
  C      -7.045440     -4.048909      1.599178
  C      -6.508412     -3.574083      2.818223
  C      -5.779971     -2.402169      2.851436
  C      -5.569542     -1.661183      1.662776
  C      -4.264120      5.938692      5.810556
  C      -3.370475      6.847817      4.932287
  C      -3.282609      6.308807      3.530402
  N      -4.346846      6.525297      2.761374
  C      -4.348196      5.975399      1.518127
  N      -3.435889      5.181862      0.990656
  C      -2.331753      4.946326      1.757439
  C      -1.312185      4.104619      1.248223
  C      -0.165699      3.886739      1.981548
  C       0.008576      4.501329      3.245342
  C      -0.977705      5.307471      3.774485
  C      -2.179009      5.536617      3.055568
  C      -6.884926      2.021733      6.219034
  C      -7.698879      0.776178      5.847407
  C      -7.983247      0.558125      4.381703
  N      -7.571313      1.456546      3.496954
  C      -7.872308      1.249357      2.182141
  N      -8.553411      0.251696      1.669822
  C      -8.998989     -0.691568      2.555043
  C      -9.747635     -1.788503      2.067965
  C     -10.205597     -2.752126      2.942005
  C      -9.929698     -2.659339      4.325940
  C      -9.203728     -1.597716      4.828002
  C      -8.724894     -0.588997      3.956068
  H      -4.065267      2.176915      2.056749
  H      -2.556530      1.262029      1.964975
  H      -5.027137      0.364820      3.557372
  H      -3.576832     -0.595029      3.311918
  H      -5.153113      0.248953     -1.580147
  H      -7.271378     -3.690762     -0.523001
  H      -7.617733     -4.978059      1.592375
  H      -6.678471     -4.137905      3.736685
  H      -5.368985     -2.043308      3.796268
  H      -5.240918      5.842554      5.319471
  H      -4.426798      6.430001      6.785954
  H      -3.848971      7.836830      4.892158
  H      -2.381689      6.969636      5.392294
  H      -5.220273      6.209970      0.899091
  H      -1.461511      3.658594      0.264026
  H       0.625042      3.250500      1.580707
  H       0.936014      4.342099      3.798308
  H      -0.820479      5.787130      4.740597
  H      -7.108965      2.277467      7.271016
  H      -7.217776      2.869858      5.609424
  H      -7.220880     -0.132293      6.248580
  H      -8.669871      0.830863      6.369958
  H      -7.494579      2.007908      1.489003
  H      -9.940039     -1.842646      0.995998
  H     -10.783874     -3.597835      2.566161
  H     -10.299368     -3.432717      5.001023
  H      -9.004868     -1.535265      5.898319
  N      -5.575355      3.568036      3.721639
  H      -6.400351      2.942997      3.572445
  H      -5.554896      4.339578      3.047966
89
Coordinates from ORCA-job orca E -6086.329016970173
  N      -3.032533      2.060468      3.853796
  Mo     -4.290722      3.040742      5.010576
  N      -5.455078      1.882109      6.080450
  C      -4.865716      1.053021      7.135120
  C      -3.372214      0.879860      6.909927
  N      -2.776536      2.170890      6.487713
  C      -1.505831      2.005634      5.741948
  C      -1.809958      1.451401      4.363242
  C      -2.631557      3.137837      7.602766
  C      -2.642187      4.542772      7.021742
  N      -3.700483      4.615446      6.014565
  H      -0.966415      1.665549      3.684047
  H      -1.913443      0.350049      4.393845
  H      -1.058273      3.002994      5.640946
  H      -0.800767      1.364619      6.297655
  H      -2.835191      5.271917      7.826777
  H      -1.658012      4.802602      6.592020
  H      -3.496716      3.017114      8.268139
  H      -1.716078      2.932429      8.183214
  H      -5.330674      0.052074      7.164226
  H      -5.071032      1.515706      8.120491
  H      -3.204025      0.162701      6.096198
  H      -2.875710      0.490435      7.815024
  C      -3.480295      1.468509      2.582329
  C      -4.274793      0.181112      2.809484
  C      -4.879841     -0.409658      1.566872
  N      -4.736124      0.252397      0.427571
  C      -5.301089     -0.293990     -0.685888
  N      -5.973698     -1.421951     -0.774790
  C      -6.133018     -2.122050      0.388918
  C      -6.843199     -3.346959      0.367820
  C      -7.025904     -4.059334      1.534766
  C      -6.514852     -3.577777      2.762372
  C      -5.811550     -2.390983      2.808399
  C      -5.600669     -1.642333      1.624669
  C      -4.252692      5.954530      5.795973
  C      -3.343181      6.850863      4.923136
  C      -3.238612      6.307366      3.524515
  N      -4.292611      6.521135      2.740585
  C      -4.275241      5.970217      1.498278
  N      -3.350860      5.182639      0.982309
  C      -2.256734      4.950322      1.764332
  C      -1.225748      4.114152      1.268646
  C      -0.091104      3.896848      2.020184
  C       0.060415      4.507664      3.288853
  C      -0.936837      5.308584      3.804523
  C      -2.126595      5.537482      3.066132
  C      -6.908193      2.037193      6.231708
  C      -7.724419      0.790221      5.871303
  C      -8.012163      0.555264      4.408306
  N      -7.623304      1.452976      3.512695
  C      -7.926405      1.226095      2.201255
  N      -8.585790      0.207637      1.702437
  C      -9.004839     -0.736785      2.599526
  C      -9.725795     -1.858059      2.126914
  C     -10.158458     -2.822305      3.012963
  C      -9.883905     -2.706140      4.395040
  C      -9.181727     -1.622312      4.882822
  C      -8.729236     -0.612640      3.998043
  H      -4.097790      2.196706      2.044498
  H      -2.596289      1.268440      1.954995
  H      -5.087541      0.391885      3.526506
  H      -3.641902     -0.578643      3.297260
  H      -5.172581      0.282079     -1.607076
  H      -7.236257     -3.695640     -0.587735
  H      -7.577609     -5.000510      1.516421
  H      -6.681694     -4.149900      3.675891
  H      -5.421816     -2.024600      3.758897
  H      -5.229083      5.867223      5.302574
  H      -4.412826      6.449045      6.769949
  H      -3.811470      7.844302      4.872232
  H      -2.359632      6.966409      5.395094
  H      -5.141826      6.196653      0.868945
  H      -1.356932      3.671948      0.280515
  H       0.707977      3.263367      1.630589
  H       0.979029      4.348689      3.855719
  H      -0.797895      5.786574      4.773853
  H      -7.121018      2.292391      7.285952
  H      -7.248117      2.885498      5.626252
  H      -7.247979     -0.112479      6.287605
  H      -8.696629      0.853965      6.389539
  H      -7.568806      1.985972      1.499178
  H      -9.918576     -1.929734      1.056363
  H     -10.714701     -3.686740      2.648155
  H     -10.233119     -3.480144      5.079672
  H      -8.980962     -1.543496      5.951381
  N      -5.601959      3.589055      3.725081
  H      -6.449703      2.988698      3.607198
  H      -5.579716      4.359850      3.050579
89
Coordinates from ORCA-job orca E -6086.329130515632
  N      -3.043713      2.071508      3.842564
  Mo     -4.295844      3.043876      5.011093
  N      -5.453575      1.876423      6.079420
  C      -4.857514      1.037976      7.122654
  C      -3.364048      0.872017      6.890006
  N      -2.774262      2.168468      6.476735
  C      -1.506653      2.014627      5.723223
  C      -1.814626      1.467092      4.342832
  C      -2.629045      3.127383      7.598470
  C      -2.643042      4.536108      7.027409
  N      -3.701820      4.612949      6.021114
  H      -0.976019      1.690136      3.660379
  H      -1.911450      0.365174      4.368314
  H      -1.063985      3.014683      5.627180
  H      -0.795552      1.372928      6.270561
  H      -2.836845      5.259876      7.837156
  H      -1.659709      4.800159      6.598558
  H      -3.492905      3.000064      8.264366
  H      -1.712176      2.920069      8.176119
  H      -5.318531      0.035168      7.142827
  H      -5.059732      1.489134      8.114071
  H      -3.197594      0.163009      6.068592
  H      -2.862518      0.475594      7.789322
  C      -3.500054      1.474959      2.576791
  C      -4.275854      0.178578      2.817208
  C      -4.886237     -0.426206      1.583261
  N      -4.761309      0.229676      0.437953
  C      -5.335582     -0.327816     -0.665475
  N      -6.002099     -1.460625     -0.739072
  C      -6.141331     -2.154680      0.430901
  C      -6.843054     -3.384847      0.426672
  C      -7.002213     -4.093135      1.599563
  C      -6.475278     -3.602398      2.816949
  C      -5.782250     -2.409255      2.847194
  C      -5.595240     -1.664677      1.656837
  C      -4.251326      5.953789      5.806313
  C      -3.342550      6.847477      4.929325
  C      -3.238868      6.300873      3.531810
  N      -4.299497      6.500869      2.753217
  C      -4.284958      5.943712      1.513571
  N      -3.357635      5.160828      0.996284
  C      -2.257170      4.941866      1.773050
  C      -1.222868      4.110757      1.275779
  C      -0.081626      3.906921      2.021226
  C       0.072212      4.524456      3.286290
  C      -0.928274      5.320355      3.803757
  C      -2.123809      5.536890      3.071058
  C      -6.906534      2.029205      6.237572
  C      -7.726744      0.789781      5.860170
  C      -8.009682      0.570809      4.393630
  N      -7.630706      1.486303      3.511853
  C      -7.935411      1.277987      2.197695
  N      -8.594381      0.266021      1.684700
  C      -9.007303     -0.693948      2.567644
  C      -9.735011     -1.804651      2.080245
  C     -10.163512     -2.783657      2.951905
  C      -9.877695     -2.693307      4.333737
  C      -9.170017     -1.619470      4.835823
  C      -8.721989     -0.594418      3.966237
  H      -4.134911      2.195922      2.049679
  H      -2.623677      1.286282      1.935286
  H      -5.083684      0.383196      3.541784
  H      -3.628237     -0.571021      3.301631
  H      -5.220629      0.243018     -1.591887
  H      -7.247512     -3.741704     -0.521288
  H      -7.546486     -5.038848      1.594629
  H      -6.623094     -4.171701      3.735625
  H      -5.381331     -2.035296      3.790132
  H      -5.229600      5.869768      5.316260
  H      -4.406513      6.448861      6.780911
  H      -3.811860      7.840352      4.876116
  H      -2.358460      6.964743      5.399907
  H      -5.157532      6.159328      0.888787
  H      -1.356758      3.661841      0.290912
  H       0.720274      3.278698      1.629612
  H       0.995038      4.375105      3.849175
  H      -0.787639      5.802925      4.770652
  H      -7.115646      2.268069      7.296488
  H      -7.248251      2.886754      5.646237
  H      -7.259698     -0.119643      6.271080
  H      -8.702558      0.856713      6.372074
  H      -7.584171      2.050270      1.506461
  H      -9.936201     -1.856123      1.009976
  H     -10.725077     -3.639983      2.575511
  H     -10.224053     -3.478599      5.007071
  H      -8.963599     -1.559029      5.904582
  N      -5.613197      3.603876      3.736082
  H      -6.455067      2.999137      3.607895
  H      -5.598500      4.388804      3.077490
89
Coordinates from ORCA-job orca E -6086.329158199706
  N      -3.075017      2.064411      3.848436
  Mo     -4.318218      3.046065      5.018017
  N      -5.472031      1.896147      6.109892
  C      -4.873212      1.053898      7.148112
  C      -3.382210      0.880900      6.902658
  N      -2.790392      2.173404      6.480200
  C      -1.526855      2.010610      5.721909
  C      -1.842966      1.460848      4.343478
  C      -2.638257      3.138426      7.595520
  C      -2.649650      4.543473      7.015892
  N      -3.713651      4.619285      6.014249
  H      -1.008628      1.683693      3.655847
  H      -1.939465      0.358928      4.370691
  H      -1.077967      3.007507      5.622378
  H      -0.817504      1.365721      6.267768
  H      -2.836397      5.273516      7.821767
  H      -1.667714      4.800380      6.579816
  H      -3.500463      3.018355      8.264870
  H      -1.720362      2.933365      8.172596
  H      -5.337481      0.052543      7.170566
  H      -5.066567      1.504524      8.141565
  H      -3.228555      0.169724      6.080288
  H      -2.873150      0.482801      7.797132
  C      -3.530556      1.477845      2.576967
  C      -4.299797      0.173083      2.799782
  C      -4.906975     -0.417913      1.557113
  N      -4.781717      0.254504      0.421633
  C      -5.347315     -0.291238     -0.692352
  N      -6.002180     -1.429278     -0.785155
  C      -6.142211     -2.140201      0.374912
  C      -6.834078     -3.375789      0.349436
  C      -6.996284     -4.100186      1.511990
  C      -6.482042     -3.620690      2.739326
  C      -5.796993     -2.423677      2.789647
  C      -5.606308     -1.662890      1.610113
  C      -4.252944      5.962292      5.791339
  C      -3.337479      6.842106      4.905599
  C      -3.229611      6.274566      3.516524
  N      -4.291126      6.453875      2.734343
  C      -4.271181      5.877384      1.503469
  N      -3.339245      5.091517      1.000060
  C      -2.237546      4.893095      1.780635
  C      -1.196999      4.062052      1.296816
  C      -0.053404      3.880147      2.044485
  C       0.097223      4.522443      3.297511
  C      -0.908726      5.320574      3.801421
  C      -2.107788      5.512640      3.067588
  C      -6.922700      2.062765      6.275224
  C      -7.754594      0.829860      5.905082
  C      -8.016075      0.595214      4.437599
  N      -7.648478      1.517195      3.557029
  C      -7.938903      1.299599      2.241273
  N      -8.572791      0.273056      1.725111
  C      -8.972416     -0.693775      2.606461
  C      -9.671227     -1.821333      2.115419
  C     -10.084891     -2.807986      2.985616
  C      -9.814285     -2.707789      4.369934
  C      -9.136074     -1.616879      4.875793
  C      -8.701144     -0.585031      4.007472
  H      -4.165882      2.202853      2.055788
  H      -2.653006      1.298521      1.934329
  H      -5.104841      0.359200      3.532997
  H      -3.644921     -0.580010      3.269154
  H      -5.228282      0.291237     -1.611327
  H      -7.230167     -3.722676     -0.605951
  H      -7.535239     -5.048912      1.491596
  H      -6.633830     -4.201813      3.650139
  H      -5.408051     -2.058202      3.741094
  H      -5.231129      5.882870      5.300469
  H      -4.404226      6.466358      6.761996
  H      -3.804996      7.834954      4.837083
  H      -2.354976      6.962621      5.378511
  H      -5.144222      6.078730      0.874360
  H      -1.328169      3.595274      0.319676
  H       0.753001      3.251362      1.663354
  H       1.022086      4.391522      3.862005
  H      -0.768267      5.824323      4.757682
  H      -7.125732      2.309273      7.333676
  H      -7.258179      2.920194      5.680005
  H      -7.304294     -0.078211      6.334491
  H      -8.736706      0.917542      6.403175
  H      -7.599115      2.077347      1.550457
  H      -9.860527     -1.880369      1.043199
  H     -10.622614     -3.678474      2.606180
  H     -10.148952     -3.499321      5.042188
  H      -8.941633     -1.549233      5.946535
  N      -5.646510      3.612832      3.756612
  H      -6.483510      3.002607      3.620823
  H      -5.637186      4.403078      3.104358
89
Coordinates from ORCA-job orca E -6086.329253034548
  N      -3.103430      2.076229      3.833762
  Mo     -4.338667      3.054833      5.013320
  N      -5.483166      1.897729      6.107361
  C      -4.877550      1.053603      7.140173
  C      -3.386884      0.885559      6.888242
  N      -2.801729      2.180691      6.464879
  C      -1.542995      2.024374      5.697208
  C      -1.866319      1.475763      4.320096
  C      -2.646420      3.143065      7.581978
  C      -2.660986      4.550232      7.006868
  N      -3.725345      4.627209      6.006059
  H      -1.037315      1.703012      3.627417
  H      -1.959063      0.373555      4.346262
  H      -1.098559      3.023154      5.596149
  H      -0.826924      1.381313      6.236521
  H      -2.848873      5.277362      7.815065
  H      -1.679669      4.810803      6.571333
  H      -3.506801      3.019831      8.253099
  H      -1.726888      2.936550      8.155871
  H      -5.339376      0.050935      7.160594
  H      -5.068557      1.500028      8.135898
  H      -3.233559      0.175077      6.065457
  H      -2.872767      0.489299      7.780578
  C      -3.566736      1.492878      2.564855
  C      -4.322291      0.180612      2.789079
  C      -4.940880     -0.404954      1.550015
  N      -4.839165      0.278921      0.419431
  C      -5.414667     -0.263322     -0.690969
  N      -6.058993     -1.407200     -0.784706
  C      -6.173979     -2.130437      0.370234
  C      -6.850659     -3.374399      0.343010
  C      -6.983257     -4.113670      1.499803
  C      -6.455204     -3.640421      2.723766
  C      -5.787298     -2.433879      2.776317
  C      -5.626356     -1.658112      1.601986
  C      -4.254560      5.972743      5.773421
  C      -3.327932      6.843747      4.891607
  C      -3.196503      6.261700      3.510606
  N      -4.250881      6.416680      2.713498
  C      -4.205683      5.830384      1.487891
  N      -3.253778      5.057422      1.002406
  C      -2.158820      4.884308      1.798245
  C      -1.098237      4.067203      1.334224
  C       0.038732      3.910402      2.097777
  C       0.162706      4.565453      3.347134
  C      -0.862709      5.350832      3.831659
  C      -2.055997      5.515928      3.081721
  C      -6.934120      2.052904      6.278961
  C      -7.758311      0.812356      5.914617
  C      -8.029750      0.577105      4.448676
  N      -7.673372      1.502228      3.566500
  C      -7.971623      1.284757      2.252666
  N      -8.604882      0.256032      1.740036
  C      -8.993855     -0.713487      2.623220
  C      -9.693906     -1.842010      2.135875
  C     -10.098478     -2.831013      3.007483
  C      -9.815590     -2.733303      4.389475
  C      -9.134457     -1.642590      4.891485
  C      -8.710936     -0.606678      4.022099
  H      -4.214331      2.214550      2.054404
  H      -2.694657      1.324898      1.911517
  H      -5.119494      0.354461      3.533435
  H      -3.655491     -0.571486      3.242787
  H      -5.316951      0.329241     -1.605784
  H      -7.257225     -3.716626     -0.609524
  H      -7.507642     -5.070381      1.477242
  H      -6.581558     -4.234732      3.629843
  H      -5.387918     -2.072772      3.724928
  H      -5.229652      5.895973      5.276317
  H      -4.409529      6.482325      6.740592
  H      -3.796280      7.835006      4.805858
  H      -2.352998      6.971787      5.377651
  H      -5.073749      6.012002      0.845934
  H      -1.208836      3.591220      0.359087
  H       0.860501      3.292139      1.732013
  H       1.082373      4.454880      3.924041
  H      -0.742636      5.865430      4.784842
  H      -7.133615      2.298057      7.338285
  H      -7.278734      2.907706      5.685350
  H      -7.295114     -0.091224      6.340365
  H      -8.737388      0.891018      6.419208
  H      -7.638264      2.063922      1.559935
  H      -9.892118     -1.899013      1.065236
  H     -10.638229     -3.701346      2.630999
  H     -10.142528     -3.526874      5.062938
  H      -8.929798     -1.578022      5.960391
  N      -5.673678      3.623800      3.760514
  H      -6.508227      3.010640      3.622179
  H      -5.667611      4.419248      3.114639
89
Coordinates from ORCA-job orca E -6086.329349308352
  N      -3.141234      2.085346      3.829566
  Mo     -4.362138      3.067178      5.019144
  N      -5.500454      1.905036      6.114536
  C      -4.888316      1.062731      7.145242
  C      -3.398584      0.895981      6.888354
  N      -2.817522      2.190712      6.459958
  C      -1.566065      2.036028      5.680147
  C      -1.900345      1.485679      4.306987
  C      -2.651622      3.153073      7.575511
  C      -2.664754      4.560648      7.000594
  N      -3.729195      4.639417      6.001221
  H      -1.076872      1.713417      3.607770
  H      -1.992342      0.383469      4.335036
  H      -1.124109      3.035317      5.573355
  H      -0.843234      1.395031      6.213066
  H      -2.850423      5.287658      7.809573
  H      -1.683518      4.820158      6.564394
  H      -3.508224      3.032460      8.252095
  H      -1.729313      2.941626      8.142847
  H      -5.349870      0.060095      7.168434
  H      -5.075140      1.510191      8.141234
  H      -3.244512      0.182584      6.068440
  H      -2.881713      0.505019      7.781344
  C      -3.610738      1.505949      2.562569
  C      -4.365946      0.193797      2.787525
  C      -4.991913     -0.385678      1.548288
  N      -4.910904      0.310722      0.423586
  C      -5.490241     -0.227501     -0.686411
  N      -6.119120     -1.379435     -0.786375
  C      -6.210642     -2.117215      0.361005
  C      -6.864671     -3.373060      0.326067
  C      -6.970457     -4.128988      1.474694
  C      -6.440050     -3.660081      2.699371
  C      -5.796682     -2.440654      2.760557
  C      -5.661044     -1.648557      1.593765
  C      -4.244412      5.988833      5.754300
  C      -3.309761      6.840125      4.864412
  C      -3.162051      6.230651      3.496960
  N      -4.219970      6.339287      2.696380
  C      -4.157392      5.730398      1.482786
  N      -3.183853      4.975779      1.012979
  C      -2.086944      4.846784      1.814040
  C      -1.008403      4.041773      1.370771
  C       0.128027      3.922881      2.142088
  C       0.234200      4.605779      3.377988
  C      -0.807797      5.381728      3.841633
  C      -2.002078      5.506051      3.084770
  C      -6.951201      2.048815      6.293119
  C      -7.766156      0.803661      5.923303
  C      -8.050967      0.579032      4.457838
  N      -7.727926      1.521650      3.581249
  C      -8.038474      1.311016      2.269202
  N      -8.651618      0.271732      1.753404
  C      -9.004586     -0.716280      2.630882
  C      -9.679413     -1.858280      2.139283
  C     -10.048703     -2.866125      3.004713
  C      -9.753350     -2.774959      4.384536
  C      -9.094047     -1.672653      4.890161
  C      -8.707997     -0.616697      4.027296
  H      -4.261840      2.227431      2.056910
  H      -2.741962      1.340876      1.903968
  H      -5.159885      0.365975      3.535194
  H      -3.697717     -0.561613      3.233183
  H      -5.415600      0.378749     -1.594108
  H      -7.273184     -3.712398     -0.626517
  H      -7.473186     -5.096962      1.444439
  H      -6.542868     -4.269132      3.598442
  H      -5.394364     -2.082292      3.708705
  H      -5.220944      5.914359      5.260329
  H      -4.393403      6.510231      6.716135
  H      -3.776004      7.830133      4.753890
  H      -2.340049      6.979425      5.357386
  H      -5.029067      5.875169      0.836435
  H      -1.105880      3.543094      0.405827
  H       0.962166      3.312053      1.793214
  H       1.152910      4.523621      3.960684
  H      -0.703138      5.916789      4.785089
  H      -7.147628      2.280812      7.355941
  H      -7.305764      2.906839      5.710051
  H      -7.289428     -0.098025      6.339552
  H      -8.741994      0.868888      6.434802
  H      -7.733084      2.105168      1.580633
  H      -9.888126     -1.909162      1.070477
  H     -10.570001     -3.745906      2.625015
  H     -10.053114     -3.582780      5.053385
  H      -8.878677     -1.614139      5.957147
  N      -5.701057      3.648535      3.777139
  H      -6.554804      3.058865      3.663249
  H      -5.691171      4.451423      3.139331
89
Coordinates from ORCA-job orca E -6086.329532008481
  N      -3.180747      2.091498      3.811483
  Mo     -4.389286      3.072952      5.012467
  N      -5.514829      1.910678      6.120608
  C      -4.891651      1.067600      7.144263
  C      -3.403977      0.903453      6.872882
  N      -2.829644      2.199083      6.438071
  C      -1.585981      2.046321      5.645330
  C      -1.933464      1.494507      4.275813
  C      -2.654610      3.162724      7.551064
  C      -2.673324      4.570130      6.975557
  N      -3.743817      4.647236      5.982823
  H      -1.118138      1.724815      3.567925
  H      -2.022693      0.392105      4.304711
  H      -1.146216      3.046020      5.533212
  H      -0.856566      1.406636      6.170870
  H      -2.855274      5.297069      7.785573
  H      -1.695396      4.831287      6.532795
  H      -3.505501      3.042175      8.234870
  H      -1.727571      2.952475      8.111141
  H      -5.351562      0.064311      7.170341
  H      -5.069886      1.513246      8.142635
  H      -3.256602      0.189848      6.051930
  H      -2.877379      0.514169      7.760925
  C      -3.658989      1.517891      2.545434
  C      -4.403202      0.198717      2.767873
  C      -5.039555     -0.373068      1.530085
  N      -4.986744      0.341032      0.415004
  C      -5.575711     -0.188967     -0.693840
  N      -6.187312     -1.349369     -0.801919
  C      -6.249557     -2.105611      0.335412
  C      -6.883174     -3.371598      0.290765
  C      -6.959822     -4.146101      1.429268
  C      -6.419750     -3.686442      2.653210
  C      -5.795500     -2.457672      2.723566
  C      -5.688776     -1.646686      1.566755
  C      -4.253627      5.997006      5.727051
  C      -3.311244      6.839798      4.837742
  C      -3.131155      6.204258      3.485878
  N      -4.180393      6.266455      2.668872
  C      -4.083022      5.636145      1.468352
  N      -3.083736      4.897757      1.028810
  C      -1.996524      4.813216      1.848766
  C      -0.893289      4.023598      1.440168
  C       0.232900      3.946889      2.231846
  C       0.304903      4.660587      3.452651
  C      -0.760774      5.424423      3.881746
  C      -1.946337      5.502982      3.104950
  C      -6.963906      2.053541      6.312612
  C      -7.781381      0.807930      5.950336
  C      -8.067271      0.578683      4.485737
  N      -7.761297      1.527033      3.608847
  C      -8.075207      1.313941      2.298165
  N      -8.675889      0.266671      1.783624
  C      -9.009633     -0.727961      2.661146
  C      -9.668712     -1.879627      2.170691
  C     -10.018505     -2.894341      3.036130
  C      -9.719024     -2.800410      4.414962
  C      -9.074747     -1.688799      4.919529
  C      -8.708408     -0.625887      4.056642
  H      -4.318464      2.238677      2.050178
  H      -2.795655      1.362452      1.877214
  H      -5.189368      0.358925      3.526592
  H      -3.725023     -0.556387      3.198516
  H      -5.525322      0.432251     -1.593109
  H      -7.299952     -3.703400     -0.660929
  H      -7.446762     -5.121859      1.391481
  H      -6.500003     -4.310217      3.544480
  H      -5.385150     -2.106765      3.671069
  H      -5.227445      5.921819      5.228318
  H      -4.406222      6.524677      6.685002
  H      -3.783965      7.823558      4.700797
  H      -2.351924      6.997835      5.344966
  H      -4.948507      5.744468      0.806639
  H      -0.964456      3.501627      0.485257
  H       1.084891      3.345593      1.910866
  H       1.215877      4.612274      4.051017
  H      -0.681999      5.983989      4.813539
  H      -7.151142      2.285855      7.377104
  H      -7.323716      2.911128      5.732349
  H      -7.305465     -0.092070      6.370481
  H      -8.756614      0.877383      6.462752
  H      -7.786610      2.114503      1.609498
  H      -9.880411     -1.932390      1.102564
  H     -10.527279     -3.781818      2.657157
  H     -10.003676     -3.613592      5.083957
  H      -8.856360     -1.628468      5.985882
  N      -5.742554      3.659922      3.788952
  H      -6.596009      3.069353      3.677454
  H      -5.737873      4.469484      3.159312
89
Coordinates from ORCA-job orca E -6086.329670266507
  N      -3.220432      2.096724      3.793501
  Mo     -4.416161      3.078017      5.005943
  N      -5.528463      1.915895      6.127144
  C      -4.894131      1.072134      7.143582
  C      -3.408718      0.910521      6.857339
  N      -2.841251      2.207009      6.415846
  C      -1.605733      2.056004      5.609959
  C      -1.966765      1.502494      4.244413
  C      -2.656776      3.172190      7.525971
  C      -2.681234      4.579339      6.949585
  N      -3.758040      4.654437      5.963845
  H      -1.159887      1.735237      3.527679
  H      -2.053218      0.399909      4.274324
  H      -1.168238      3.056082      5.492254
  H      -0.869684      1.417712      6.127955
  H      -2.859218      5.306420      7.760484
  H      -1.706801      4.842042      6.499919
  H      -3.501692      3.051868      8.217225
  H      -1.724905      2.963268      8.078529
  H      -5.352443      0.068230      7.172793
  H      -5.063439      1.516113      8.144243
  H      -3.268297      0.196606      6.035449
  H      -2.872209      0.523014      7.740227
  C      -3.707752      1.528668      2.528721
  C      -4.440871      0.202576      2.748826
  C      -5.087901     -0.361811      1.512907
  N      -5.063625      0.369336      0.408095
  C      -5.662553     -0.152692     -0.699154
  N      -6.256878     -1.321166     -0.815577
  C      -6.289500     -2.095189      0.311036
  C      -6.902706     -3.370820      0.256376
  C      -6.949894     -4.163214      1.384103
  C      -6.399813     -3.712596      2.606932
  C      -5.794650     -2.474950      2.686715
  C      -5.717166     -1.645733      1.540512
  C      -4.263171      6.003964      5.698413
  C      -3.313764      6.838161      4.808967
  C      -3.101102      6.175950      3.474449
  N      -4.140552      6.189514      2.642595
  C      -4.007998      5.537300      1.456968
  N      -2.983382      4.816669      1.048329
  C      -1.906849      4.778854      1.885680
  C      -0.779185      4.006406      1.512503
  C       0.335853      3.974226      2.323152
  C       0.372856      4.719356      3.526557
  C      -0.716289      5.469349      3.920247
  C      -1.892074      5.499762      3.125054
  C      -6.975658      2.058293      6.332659
  C      -7.795916      0.812507      5.977976
  C      -8.082314      0.579349      4.514040
  N      -7.792769      1.533691      3.637694
  C      -8.109388      1.319160      2.328096
  N      -8.697583      0.264608      1.813744
  C      -9.012753     -0.736880      2.690397
  C      -9.656049     -1.897425      2.199877
  C      -9.986981     -2.919210      3.064357
  C      -9.684076     -2.823524      4.442408
  C      -9.054877     -1.703393      4.947105
  C      -8.707594     -0.633334      4.085210
  H      -4.375609      2.248583      2.043994
  H      -2.850174      1.382794      1.850816
  H      -5.218887      0.350868      3.518549
  H      -3.752811     -0.551927      3.164324
  H      -5.636689      0.482915     -1.589426
  H      -7.328025     -3.695268     -0.694109
  H      -7.421063     -5.146366      1.338556
  H      -6.457261     -4.350569      3.489907
  H      -5.375990     -2.131324      3.633259
  H      -5.234267      5.926961      5.195129
  H      -4.419556      6.538587      6.651997
  H      -3.793295      7.814595      4.644893
  H      -2.365202      7.016345      5.329355
  H      -4.866514      5.607210      0.781038
  H      -0.823493      3.460606      0.569324
  H       1.205619      3.383850      2.030746
  H       1.275280      4.706765      4.139469
  H      -0.663997      6.053931      4.838558
  H      -7.153559      2.291172      7.398710
  H      -7.340498      2.915439      5.755119
  H      -7.321244     -0.086016      6.402010
  H      -8.770628      0.886394      6.491085
  H      -7.837065      2.126335      1.640160
  H      -9.870186     -1.951295      1.132292
  H     -10.483195     -3.813765      2.685166
  H      -9.954124     -3.642229      5.110763
  H      -8.834023     -1.642022      6.012973
  N      -5.784161      3.670360      3.801611
  H      -6.637299      3.078785      3.692931
  H      -5.785063      4.486422      3.180133
89
Coordinates from ORCA-job orca E -6086.329816055652
  N      -3.265267      2.097461      3.781360
  Mo     -4.447057      3.082608      5.002649
  N      -5.545419      1.926660      6.143413
  C      -4.899813      1.084550      7.154295
  C      -3.417366      0.923143      6.851236
  N      -2.855737      2.218263      6.397875
  C      -1.629142      2.064209      5.578837
  C      -2.005592      1.505547      4.219061
  C      -2.659459      3.189076      7.500804
  C      -2.688780      4.593237      6.917565
  N      -3.774525      4.663965      5.941667
  H      -1.207594      1.737578      3.492280
  H      -2.090945      0.402986      4.252874
  H      -1.192056      3.063395      5.452531
  H      -0.887624      1.427443      6.090878
  H      -2.859749      5.324070      7.726803
  H      -1.718997      4.854250      6.456696
  H      -3.497481      3.073073      8.201153
  H      -1.722202      2.983411      8.045602
  H      -5.357148      0.080431      7.190103
  H      -5.058666      1.529784      8.156142
  H      -3.286920      0.206679      6.029766
  H      -2.869519      0.538871      7.728619
  C      -3.761181      1.535625      2.517047
  C      -4.480953      0.200510      2.730666
  C      -5.142932     -0.350664      1.496261
  N      -5.155326      0.405187      0.408121
  C      -5.767556     -0.102681     -0.698452
  N      -6.339607     -1.280519     -0.830247
  C      -6.334797     -2.079919      0.279233
  C      -6.924229     -3.365855      0.207086
  C      -6.937646     -4.182406      1.318436
  C      -6.374907     -3.747181      2.541007
  C      -5.789730     -2.501136      2.636510
  C      -5.746767     -1.646838      1.507118
  C      -4.273659      6.012915      5.664318
  C      -3.315388      6.834492      4.772341
  C      -3.070575      6.139751      3.459688
  N      -4.099360      6.100551      2.615604
  C      -3.931865      5.424113      1.447774
  N      -2.881850      4.723974      1.070557
  C      -1.817027      4.735398      1.923798
  C      -0.664984      3.983037      1.586106
  C       0.437465      3.996815      2.414521
  C       0.437899      4.772266      3.599022
  C      -0.674376      5.506794      3.956575
  C      -1.838360      5.488846      3.143501
  C      -6.991095      2.069775      6.359720
  C      -7.812686      0.822702      6.012734
  C      -8.095930      0.584909      4.549047
  N      -7.822736      1.546069      3.674566
  C      -8.137817      1.330024      2.365143
  N      -8.708867      0.267017      1.848502
  C      -9.004626     -0.742622      2.722604
  C      -9.625554     -1.914104      2.229318
  C      -9.935251     -2.944718      3.091177
  C      -9.634601     -2.846328      4.469655
  C      -9.028167     -1.715087      4.977404
  C      -8.700778     -0.636891      4.117983
  H      -4.437211      2.254735      2.043125
  H      -2.908831      1.401101      1.830131
  H      -5.247086      0.331026      3.515907
  H      -3.780186     -0.554078      3.123949
  H      -5.770869      0.552782     -1.574822
  H      -7.360967     -3.677506     -0.742628
  H      -7.392890     -5.172461      1.260353
  H      -6.407823     -4.403498      3.411832
  H      -5.360851     -2.170061      3.583104
  H      -5.242082      5.935133      5.156708
  H      -4.432727      6.556629      6.612481
  H      -3.799935      7.802734      4.576702
  H      -2.378105      7.034459      5.304914
  H      -4.782635      5.453034      0.759106
  H      -0.681420      3.414112      0.655604
  H       1.324785      3.418950      2.151159
  H       1.330484      4.796363      4.225965
  H      -0.648868      6.115456      4.860505
  H      -7.162306      2.306511      7.426136
  H      -7.359387      2.924746      5.781468
  H      -7.338323     -0.073700      6.440099
  H      -8.787193      0.899216      6.526715
  H      -7.882810      2.144905      1.679425
  H      -9.837718     -1.969854      1.161366
  H     -10.412424     -3.848733      2.709431
  H      -9.888216     -3.672090      5.135976
  H      -8.809527     -1.651783      6.043764
  N      -5.829317      3.680421      3.817487
  H      -6.681607      3.087467      3.707600
  H      -5.826720      4.494628      3.193302
89
Coordinates from ORCA-job orca E -6086.329891581428
  N      -3.318668      2.106189      3.764694
  Mo     -4.481607      3.094030      5.000468
  N      -5.569796      1.942402      6.155085
  C      -4.915297      1.093758      7.154794
  C      -3.436774      0.929050      6.833109
  N      -2.876792      2.223465      6.375571
  C      -1.660093      2.067829      5.542031
  C      -2.053768      1.512373      4.185388
  C      -2.665611      3.192647      7.476883
  C      -2.694203      4.596991      6.894314
  N      -3.787673      4.672502      5.927735
  H      -1.264846      1.745917      3.449262
  H      -2.139809      0.409884      4.217694
  H      -1.221180      3.065767      5.412647
  H      -0.914504      1.427892      6.044131
  H      -2.855781      5.328241      7.705285
  H      -1.727853      4.854782      6.424443
  H      -3.497327      3.080116      8.185292
  H      -1.724017      2.983616      8.012955
  H      -5.374921      0.090764      7.191575
  H      -5.061347      1.534827      8.160461
  H      -3.319297      0.214648      6.007792
  H      -2.878765      0.540653      7.702256
  C      -3.828450      1.550944      2.502928
  C      -4.531010      0.205869      2.714048
  C      -5.198362     -0.343239      1.481200
  N      -5.244331      0.428610      0.405255
  C      -5.861618     -0.075822     -0.700145
  N      -6.406827     -1.264994     -0.842604
  C      -6.367365     -2.080893      0.254282
  C      -6.928769     -3.378632      0.170273
  C      -6.910559     -4.210959      1.269807
  C      -6.341759     -3.780948      2.491372
  C      -5.781869     -2.524276      2.597543
  C      -5.771720     -1.653143      1.480331
  C      -4.272668      6.024287      5.641541
  C      -3.300917      6.830006      4.749127
  C      -3.033385      6.109594      3.454471
  N      -4.053477      6.032275      2.602635
  C      -3.861144      5.338070      1.448851
  N      -2.794355      4.651918      1.095034
  C      -1.738960      4.698478      1.958910
  C      -0.570900      3.959509      1.647538
  C       0.521981      4.006259      2.487672
  C       0.496697      4.804134      3.656782
  C      -0.630777      5.528536      3.987510
  C      -1.785755      5.475836      3.162828
  C      -7.012722      2.091276      6.385500
  C      -7.840352      0.847188      6.044061
  C      -8.112007      0.601154      4.579595
  N      -7.859546      1.569552      3.706613
  C      -8.167379      1.348013      2.396606
  N      -8.712528      0.272632      1.877394
  C      -8.985148     -0.745250      2.749508
  C      -9.574933     -1.931417      2.253224
  C      -9.859191     -2.971124      3.112883
  C      -9.564903     -2.866766      4.492378
  C      -8.989373     -1.720884      5.003282
  C      -8.686602     -0.633994      4.145905
  H      -4.516828      2.268116      2.044625
  H      -2.985069      1.430132      1.802402
  H      -5.289980      0.321035      3.509007
  H      -3.817193     -0.543175      3.094093
  H      -5.892443      0.592732     -1.566169
  H      -7.371279     -3.685843     -0.778296
  H      -7.345954     -5.209449      1.203435
  H      -6.351206     -4.449413      3.353554
  H      -5.348517     -2.197632      3.543721
  H      -5.238976      5.952650      5.129610
  H      -4.430904      6.575796      6.585472
  H      -3.783139      7.794191      4.528757
  H      -2.371987      7.041496      5.291540
  H      -4.706047      5.336657      0.752282
  H      -0.567878      3.373410      0.727505
  H       1.421062      3.436958      2.245802
  H       1.381500      4.854479      4.293185
  H      -0.623633      6.154945      4.879662
  H      -7.173932      2.328391      7.453523
  H      -7.382935      2.947444      5.810518
  H      -7.377102     -0.048797      6.483089
  H      -8.818612      0.935741      6.549939
  H      -7.931135      2.169965      1.712413
  H      -9.782182     -1.991394      1.184509
  H     -10.310629     -3.887270      2.728452
  H      -9.798604     -3.699864      5.156970
  H      -8.775964     -1.653133      6.070544
  N      -5.877244      3.708346      3.839540
  H      -6.732513      3.119327      3.732155
  H      -5.875405      4.529176      3.223668
89
Coordinates from ORCA-job orca E -6086.329979655378
  N      -3.369122      2.119459      3.751079
  Mo     -4.514054      3.111116      5.000036
  N      -5.592153      1.962084      6.167009
  C      -4.928732      1.107048      7.155349
  C      -3.454603      0.939159      6.815100
  N      -2.896407      2.233349      6.355162
  C      -1.689160      2.077914      5.507888
  C      -2.098877      1.524991      4.154914
  C      -2.672250      3.198773      7.456639
  C      -2.699664      4.603749      6.877012
  N      -3.800286      4.685620      5.919285
  H      -1.318709      1.760043      3.409955
  H      -2.184779      0.422587      4.186268
  H      -1.250624      3.075448      5.375065
  H      -0.938693      1.436330      6.000496
  H      -2.852020      5.334222      7.690577
  H      -1.736579      4.858691      6.398849
  H      -3.498713      3.088028      8.171407
  H      -1.727029      2.985874      7.984949
  H      -5.390309      0.105008      7.192755
  H      -5.061955      1.543686      8.164770
  H      -3.350389      0.227982      5.985137
  H      -2.886863      0.545372      7.675518
  C      -3.893225      1.566648      2.493725
  C      -4.573400      0.209655      2.703812
  C      -5.244571     -0.341401      1.474073
  N      -5.326545      0.443104      0.409553
  C      -5.948737     -0.061697     -0.692905
  N      -6.466950     -1.261991     -0.842951
  C      -6.390819     -2.090632      0.242520
  C      -6.924684     -3.399409      0.150577
  C      -6.873309     -4.243769      1.239993
  C      -6.296088     -3.815716      2.458277
  C      -5.759942     -2.549298      2.570831
  C      -5.785166     -1.664863      1.464363
  C      -4.265088      6.043316      5.627299
  C      -3.274176      6.829664      4.737791
  C      -2.995741      6.088874      3.457267
  N      -4.011496      5.989178      2.602985
  C      -3.809116      5.278162      1.461065
  N      -2.735777      4.595212      1.122906
  C      -1.685364      4.661894      1.991462
  C      -0.510475      3.928533      1.694925
  C       0.577427      3.993743      2.539856
  C       0.540859      4.806749      3.698121
  C      -0.592677      5.528877      4.013207
  C      -1.742952      5.457003      3.183501
  C      -7.034106      2.107688      6.408007
  C      -7.860834      0.863055      6.065812
  C      -8.127407      0.616361      4.600595
  N      -7.894646      1.593946      3.732349
  C      -8.196280      1.371824      2.421128
  N      -8.717926      0.287504      1.896047
  C      -8.968820     -0.740426      2.762747
  C      -9.530747     -1.937250      2.259749
  C      -9.791369     -2.987752      3.113765
  C      -9.502417     -2.883046      4.494395
  C      -8.955023     -1.726428      5.012060
  C      -8.674812     -0.628915      4.160359
  H      -4.597835      2.278309      2.052140
  H      -3.060212      1.462359      1.778163
  H      -5.325500      0.307274      3.508021
  H      -3.843833     -0.530218      3.071194
  H      -6.008574      0.616910     -1.549687
  H      -7.374637     -3.704777     -0.795174
  H      -7.289200     -5.250231      1.168498
  H      -6.279934     -4.493729      3.313022
  H      -5.319781     -2.225054      3.514900
  H      -5.229448      5.985723      5.110567
  H      -4.419451      6.600199      6.568821
  H      -3.744107      7.795467      4.498320
  H      -2.350533      7.040348      5.289244
  H      -4.651685      5.257002      0.762292
  H      -0.498190      3.331383      0.781962
  H       1.481415      3.427885      2.309836
  H       1.422045      4.871756      4.338358
  H      -0.592555      6.168924      4.895748
  H      -7.189222      2.341152      7.477763
  H      -7.409574      2.964566      5.837762
  H      -7.399166     -0.032263      6.506684
  H      -8.840697      0.952135      6.569149
  H      -7.976092      2.201214      1.740875
  H      -9.734750     -1.996824      1.190318
  H     -10.219448     -3.912878      2.723712
  H      -9.717650     -3.724775      5.154522
  H      -8.746418     -1.658681      6.080284
  N      -5.919348      3.740453      3.858845
  H      -6.777967      3.157050      3.751927
  H      -5.908926      4.559555      3.240960
89
Coordinates from ORCA-job orca E -6086.330056833720
  N      -3.435283      2.133259      3.730363
  Mo     -4.553929      3.130364      4.997805
  N      -5.619405      1.984247      6.179073
  C      -4.944775      1.120057      7.151902
  C      -3.477033      0.946716      6.787147
  N      -2.920495      2.240691      6.324846
  C      -1.726693      2.085611      5.458501
  C      -2.158705      1.536707      4.110808
  C      -2.678085      3.200365      7.427303
  C      -2.703987      4.607404      6.853394
  N      -3.813296      4.698353      5.906710
  H      -1.390531      1.773481      3.353983
  H      -2.244977      0.434439      4.140565
  H      -1.288816      3.082644      5.320938
  H      -0.969544      1.441696      5.937668
  H      -2.844664      5.335637      7.671185
  H      -1.744912      4.859593      6.365706
  H      -3.497198      3.091210      8.150671
  H      -1.728117      2.980956      7.944475
  H      -5.410310      0.120000      7.190472
  H      -5.059869      1.551181      8.165945
  H      -3.390336      0.239956      5.951429
  H      -2.897410      0.545402      7.636126
  C      -3.980456      1.585386      2.479746
  C      -4.632594      0.214397      2.689058
  C      -5.307136     -0.340771      1.463186
  N      -5.434167      0.456261      0.412592
  C      -6.060901     -0.051787     -0.685613
  N      -6.543410     -1.265831     -0.844664
  C      -6.421188     -2.107147      0.226745
  C      -6.916146     -3.430453      0.125106
  C      -6.820241     -4.287695      1.201505
  C      -6.235415     -3.858638      2.415816
  C      -5.734622     -2.578627      2.536626
  C      -5.805722     -1.680281      1.443379
  C      -4.256514      6.061551      5.606412
  C      -3.245546      6.826417      4.720714
  C      -2.949768      6.059241      3.460080
  N      -3.957942      5.924268      2.601897
  C      -3.736438      5.191085      1.477321
  N      -2.650323      4.518386      1.161873
  C      -1.608114      4.619532      2.036539
  C      -0.420335      3.898720      1.763449
  C       0.659133      3.996468      2.615696
  C       0.601618      4.831497      3.757186
  C      -0.544059      5.544459      4.048295
  C      -1.686364      5.438419      3.211252
  C      -7.058814      2.128398      6.437252
  C      -7.889289      0.886115      6.096315
  C      -8.148846      0.637752      4.630144
  N      -7.942281      1.626574      3.767820
  C      -8.236271      1.403972      2.455174
  N      -8.727352      0.308741      1.922912
  C      -8.950440     -0.731061      2.783054
  C      -9.477743     -1.940070      2.271769
  C      -9.710576     -3.002503      3.119012
  C      -9.428554     -2.897484      4.501103
  C      -8.914718     -1.729147      5.026878
  C      -8.662069     -0.619404      4.182141
  H      -4.706863      2.289992      2.063140
  H      -3.163692      1.503113      1.742758
  H      -5.377299      0.291478      3.502734
  H      -3.884662     -0.513465      3.042456
  H      -6.158586      0.637122     -1.530682
  H      -7.372471     -3.736653     -0.817374
  H      -7.205759     -5.305632      1.122795
  H      -6.183621     -4.547508      3.260512
  H      -5.287057     -2.254908      3.477531
  H      -5.218051      6.016669      5.083781
  H      -4.408128      6.625444      6.544289
  H      -3.703701      7.791552      4.456325
  H      -2.329631      7.041018      5.283053
  H      -4.573984      5.138228      0.774627
  H      -0.391288      3.284634      0.862084
  H       1.572766      3.439843      2.404078
  H       1.476267      4.921564      4.403379
  H      -0.559137      6.203250      4.916882
  H      -7.202027      2.356547      7.509814
  H      -7.440773      2.987593      5.875002
  H      -7.435144     -0.009375      6.543551
  H      -8.871948      0.982347      6.593488
  H      -8.038605      2.243270      1.780154
  H      -9.677912     -1.998962      1.201548
  H     -10.111091     -3.937189      2.722174
  H      -9.622521     -3.748504      5.155986
  H      -8.712736     -1.661418      6.096379
  N      -5.970624      3.780841      3.883048
  H      -6.836119      3.208392      3.780416
  H      -5.949273      4.599167      3.264802
89
Coordinates from ORCA-job orca E -6086.330004372106
  N      -3.503679      2.142784      3.721470
  Mo     -4.596252      3.151061      5.003982
  N      -5.657450      2.013026      6.196766
  C      -4.979704      1.137996      7.157389
  C      -3.518745      0.951378      6.771782
  N      -2.955081      2.241666      6.308355
  C      -1.773271      2.081232      5.426975
  C      -2.225230      1.538866      4.083756
  C      -2.691791      3.192936      7.411816
  C      -2.707694      4.601479      6.844225
  N      -3.823421      4.709720      5.906969
  H      -1.465146      1.773324      3.318111
  H      -2.317006      0.437179      4.111899
  H      -1.331101      3.075824      5.286689
  H      -1.014293      1.431290      5.894985
  H      -2.834076      5.327193      7.666632
  H      -1.750383      4.845907      6.349227
  H      -3.505164      3.089012      8.142294
  H      -1.739293      2.961893      7.919280
  H      -5.454257      0.142334      7.197079
  H      -5.077287      1.565307      8.174915
  H      -3.451951      0.248702      5.930870
  H      -2.931863      0.539304      7.610573
  C      -4.063628      1.597239      2.475492
  C      -4.690796      0.213719      2.679882
  C      -5.351410     -0.350290      1.450020
  N      -5.505160      0.451200      0.406092
  C      -6.122439     -0.065544     -0.693778
  N      -6.572471     -1.291099     -0.860338
  C      -6.422372     -2.136835      0.204013
  C      -6.883545     -3.471811      0.095026
  C      -6.760653     -4.334050      1.164773
  C      -6.180520     -3.898935      2.379215
  C      -5.711641     -2.607589      2.506844
  C      -5.811851     -1.703035      1.420932
  C      -4.230948      6.086245      5.614591
  C      -3.194496      6.829501      4.738214
  C      -2.900742      6.058657      3.479346
  N      -3.911529      5.934977      2.623066
  C      -3.700959      5.205809      1.495074
  N      -2.620201      4.526432      1.173234
  C      -1.573778      4.614783      2.046046
  C      -0.391648      3.885786      1.765390
  C       0.691640      3.968983      2.615471
  C       0.643039      4.797475      3.762584
  C      -0.496155      5.519119      4.061077
  C      -1.642150      5.427388      3.226826
  C      -7.093883      2.166147      6.461001
  C      -7.926705      0.926216      6.119426
  C      -8.160335      0.665657      4.651442
  N      -7.963359      1.654687      3.787308
  C      -8.229787      1.416716      2.471174
  N      -8.686419      0.307329      1.937400
  C      -8.900264     -0.732144      2.799667
  C      -9.389914     -1.956088      2.286455
  C      -9.611391     -3.019272      3.135695
  C      -9.356045     -2.899658      4.521803
  C      -8.878802     -1.716615      5.049267
  C      -8.637400     -0.605664      4.202454
  H      -4.808888      2.293960      2.079269
  H      -3.259321      1.535803      1.722887
  H      -5.439052      0.274487      3.492072
  H      -3.930591     -0.501337      3.032448
  H      -6.243030      0.627054     -1.532877
  H      -7.335646     -3.783159     -0.847842
  H      -7.119768     -5.361193      1.080616
  H      -6.106242     -4.592516      3.218441
  H      -5.266614     -2.280459      3.447847
  H      -5.191425      6.072397      5.088722
  H      -4.370237      6.646414      6.556667
  H      -3.628437      7.804525      4.468845
  H      -2.280479      7.024652      5.310274
  H      -4.544135      5.162481      0.796929
  H      -0.369450      3.277754      0.859691
  H       1.602099      3.406532      2.397435
  H       1.519500      4.876008      4.407856
  H      -0.502707      6.172857      4.933592
  H      -7.235687      2.394530      7.533696
  H      -7.472234      3.027155      5.899135
  H      -7.490404      0.031062      6.583933
  H      -8.917299      1.037968      6.597910
  H      -8.036723      2.254111      1.793019
  H      -9.570313     -2.025568      1.213339
  H      -9.981708     -3.965649      2.737173
  H      -9.541278     -3.751324      5.178419
  H      -8.698406     -1.637978      6.121869
  N      -6.022441      3.821440      3.909183
  H      -6.895551      3.260675      3.816412
  H      -5.996322      4.637631      3.288321
89
Coordinates from ORCA-job orca E -6086.330129287612
  N      -3.522772      2.142321      3.710810
  Mo     -4.601441      3.157139      4.999439
  N      -5.662954      2.022822      6.195648
  C      -4.984147      1.142006      7.150154
  C      -3.526880      0.947552      6.755312
  N      -2.959226      2.236571      6.293556
  C      -1.782485      2.073120      5.405926
  C      -2.244228      1.533262      4.064530
  C      -2.689299      3.183481      7.400032
  C      -2.702220      4.594824      6.838542
  N      -3.819512      4.709049      5.903275
  H      -1.487532      1.764581      3.294639
  H      -2.339635      0.432025      4.092772
  H      -1.338045      3.066396      5.264532
  H      -1.023156      1.420300      5.869333
  H      -2.825010      5.317665      7.663973
  H      -1.745255      4.838545      6.342691
  H      -3.501518      3.078990      8.131596
  H      -1.736421      2.947612      7.904568
  H      -5.464207      0.149088      7.190745
  H      -5.072181      1.568037      8.169108
  H      -3.469786      0.248197      5.911011
  H      -2.937859      0.528428      7.589085
  C      -4.096185      1.600710      2.469217
  C      -4.710404      0.211606      2.674152
  C      -5.364707     -0.359176      1.444657
  N      -5.530718      0.441600      0.402237
  C      -6.148968     -0.080113     -0.694409
  N      -6.590108     -1.309321     -0.859156
  C      -6.426135     -2.154522      0.203513
  C      -6.878643     -3.492746      0.097602
  C      -6.741560     -4.354462      1.166111
  C      -6.154373     -3.915926      2.375970
  C      -5.694493     -2.621104      2.500798
  C      -5.810824     -1.716458      1.416559
  C      -4.227228      6.084990      5.608312
  C      -3.189166      6.827206      4.734161
  C      -2.890770      6.050307      3.480625
  N      -3.896337      5.915370      2.619799
  C      -3.672589      5.181157      1.496817
  N      -2.584452      4.510297      1.183833
  C      -1.544235      4.612985      2.060807
  C      -0.354561      3.894228      1.790233
  C       0.722159      3.992541      2.645833
  C       0.660184      4.824601      3.789249
  C      -0.487001      5.535919      4.078514
  C      -1.626694      5.428567      3.237993
  C      -7.098547      2.173670      6.468473
  C      -7.937276      0.936957      6.129110
  C      -8.176716      0.676953      4.661998
  N      -7.998805      1.673523      3.802307
  C      -8.271350      1.440408      2.487029
  N      -8.717384      0.328351      1.949656
  C      -8.912614     -0.718901      2.807045
  C      -9.390625     -1.945528      2.289074
  C      -9.593348     -3.016830      3.132730
  C      -9.330971     -2.902529      4.518063
  C      -8.864478     -1.717143      5.050045
  C      -8.641380     -0.597826      4.208901
  H      -4.854032      2.294020      2.090505
  H      -3.304091      1.551585      1.702925
  H      -5.461448      0.266328      3.484396
  H      -3.944539     -0.496003      3.028888
  H      -6.280303      0.611892     -1.532354
  H      -7.334816     -3.807359     -0.842222
  H      -7.093375     -5.384266      1.084420
  H      -6.067551     -4.609642      3.213909
  H      -5.243670     -2.292050      3.438370
  H      -5.186236      6.069804      5.079825
  H      -4.369730      6.646501      6.549102
  H      -3.622220      7.801233      4.459728
  H      -2.277175      7.025407      5.308262
  H      -4.509985      5.124313      0.794238
  H      -0.320739      3.282404      0.887468
  H       1.638248      3.439933      2.434396
  H       1.532143      4.913641      4.439249
  H      -0.505441      6.192650      4.948575
  H      -7.231051      2.397976      7.543184
  H      -7.481486      3.036302      5.912199
  H      -7.504626      0.041100      6.595413
  H      -8.927553      1.053742      6.607254
  H      -8.094063      2.284650      1.813039
  H      -9.577392     -2.010362      1.216746
  H      -9.954270     -3.965155      2.730151
  H      -9.501925     -3.760388      5.170459
  H      -8.679072     -1.643075      6.122085
  N      -6.024157      3.843090      3.911979
  H      -6.905078      3.296093      3.819250
  H      -5.982939      4.659423      3.292936
89
Coordinates from ORCA-job orca E -6086.330176614480
  N      -3.461127      2.127494      3.723425
  Mo     -4.563841      3.138284      4.996000
  N      -5.634391      2.000623      6.179776
  C      -4.963172      1.129910      7.149207
  C      -3.500096      0.940015      6.775183
  N      -2.933190      2.229847      6.313887
  C      -1.744682      2.067506      5.441987
  C      -2.187152      1.522163      4.096430
  C      -2.679874      3.182771      7.419889
  C      -2.698437      4.593395      6.854424
  N      -3.809152      4.698149      5.910180
  H      -1.420530      1.751701      3.335752
  H      -2.280113      0.420585      4.127087
  H      -1.302853      3.062482      5.302762
  H      -0.988764      1.419698      5.917725
  H      -2.832396      5.317213      7.677079
  H      -1.738619      4.842448      6.366831
  H      -3.497610      3.074676      8.144768
  H      -1.730067      2.952933      7.932499
  H      -5.439961      0.135458      7.191563
  H      -5.066134      1.563767      8.163308
  H      -3.425980      0.234428      5.937566
  H      -2.920875      0.530368      7.620413
  C      -4.018125      1.584587      2.476212
  C      -4.657714      0.208509      2.682842
  C      -5.316804     -0.356224      1.453837
  N      -5.450804      0.436270      0.400798
  C      -6.067951     -0.083681     -0.696886
  N      -6.536892     -1.303818     -0.852648
  C      -6.404815     -2.140991      0.220465
  C      -6.879352     -3.471996      0.121629
  C      -6.766379     -4.326978      1.198216
  C      -6.186987     -3.887175      2.411414
  C      -5.709526     -2.598143      2.530875
  C      -5.796990     -1.702318      1.436714
  C      -4.238444      6.069106      5.620781
  C      -3.217441      6.831586      4.746006
  C      -2.931024      6.074023      3.477860
  N      -3.943080      5.958477      2.621284
  C      -3.734037      5.230350      1.491942
  N      -2.654149      4.551452      1.165899
  C      -1.606169      4.639294      2.034957
  C      -0.424535      3.912079      1.751135
  C       0.658575      3.995190      2.599861
  C       0.611719      4.819110      3.750060
  C      -0.527842      5.535760      4.053782
  C      -1.673852      5.445327      3.219534
  C      -7.071319      2.152278      6.443890
  C      -7.913590      0.917250      6.105292
  C      -8.167523      0.662759      4.639252
  N      -7.972710      1.654717      3.777607
  C      -8.259507      1.427478      2.464219
  N      -8.731742      0.324538      1.930793
  C      -8.943958     -0.717721      2.790526
  C      -9.453836     -1.933431      2.277258
  C      -9.680395     -2.997459      3.124066
  C      -9.407352     -2.887838      4.507577
  C      -8.907452     -1.714143      5.034645
  C      -8.663393     -0.601399      4.190685
  H      -4.759966      2.285125      2.078594
  H      -3.212341      1.517853      1.725657
  H      -5.412224      0.279268      3.487547
  H      -3.907110     -0.511886      3.044579
  H      -6.175613      0.601537     -1.543415
  H      -7.329233     -3.787540     -0.820692
  H      -7.130841     -5.352523      1.119425
  H      -6.117530     -4.575970      3.254753
  H      -5.264986     -2.266917      3.470355
  H      -5.199349      6.039217      5.095656
  H      -4.387193      6.623815      6.564403
  H      -3.659864      7.806313      4.490103
  H      -2.300114      7.027175      5.312460
  H      -4.576012      5.187223      0.793820
  H      -0.402473      3.305277      0.844889
  H       1.568162      3.435607      2.378351
  H       1.489239      4.895600      4.393866
  H      -0.537032      6.184899      4.929377
  H      -7.208338      2.378718      7.517403
  H      -7.449737      3.015383      5.884803
  H      -7.473310      0.020369      6.563910
  H      -8.898764      1.030621      6.592871
  H      -8.073480      2.269925      1.789697
  H      -9.649182     -1.995179      1.206397
  H     -10.069707     -3.935955      2.725847
  H      -9.597149     -3.739519      5.162506
  H      -8.713087     -1.643552      6.105210
  N      -5.974824      3.801664      3.880985
  H      -6.853850      3.251451      3.787018
  H      -5.935316      4.614418      3.257021
89
Coordinates from ORCA-job orca E -6086.330225190653
  N      -3.496904      2.130138      3.718470
  Mo     -4.582843      3.148873      4.999164
  N      -5.653177      2.019115      6.189831
  C      -4.982863      1.139720      7.151750
  C      -3.523257      0.940764      6.767231
  N      -2.950936      2.228280      6.305913
  C      -1.768732      2.062511      5.426165
  C      -2.221744      1.521127      4.082160
  C      -2.687146      3.177507      7.412779
  C      -2.698741      4.589311      6.850014
  N      -3.811343      4.702645      5.908717
  H      -1.459756      1.749921      3.316584
  H      -2.316844      0.419759      4.111915
  H      -1.323572      3.055967      5.286394
  H      -1.012423      1.410674      5.895788
  H      -2.826469      5.312566      7.674216
  H      -1.738632      4.833650      6.360615
  H      -3.503046      3.073030      8.140156
  H      -1.737109      2.940916      7.921822
  H      -5.466942      0.148733      7.193150
  H      -5.076152      1.570477      8.168107
  H      -3.460216      0.237680      5.926646
  H      -2.940932      0.524343      7.606975
  C      -4.064982      1.590130      2.475182
  C      -4.689538      0.206484      2.679630
  C      -5.345793     -0.359682      1.449365
  N      -5.495519      0.438038      0.402441
  C      -6.111024     -0.082632     -0.695784
  N      -6.563495     -1.307968     -0.858094
  C      -6.413489     -2.151216      0.207900
  C      -6.870632     -3.487785      0.101678
  C      -6.738657     -4.349712      1.170380
  C      -6.155407     -3.912048      2.382531
  C      -5.696393     -2.617088      2.509869
  C      -5.805339     -1.713158      1.424252
  C      -4.229854      6.075601      5.615444
  C      -3.201657      6.827737      4.740058
  C      -2.915304      6.060483      3.476992
  N      -3.925928      5.939939      2.618983
  C      -3.714911      5.204059      1.494944
  N      -2.635621      4.520968      1.176265
  C      -1.589437      4.614134      2.046490
  C      -0.407778      3.883934      1.770109
  C       0.674111      3.973004      2.619839
  C       0.626539      4.806342      3.763107
  C      -0.512697      5.526635      4.059268
  C      -1.657868      5.429873      3.224366
  C      -7.087322      2.180504      6.460287
  C      -7.936368      0.949814      6.124245
  C      -8.176341      0.689127      4.657012
  N      -8.003087      1.688379      3.798827
  C      -8.282094      1.459106      2.484452
  N      -8.726351      0.346818      1.946353
  C      -8.915370     -0.703102      2.802190
  C      -9.392620     -1.929544      2.282997
  C      -9.594070     -3.002095      3.125187
  C      -9.328747     -2.890297      4.510058
  C      -8.860260     -1.706405      5.042756
  C      -8.640911     -0.584915      4.203551
  H      -4.818710      2.286395      2.092821
  H      -3.268828      1.536709      1.713384
  H      -5.442360      0.265378      3.487102
  H      -3.930347     -0.507833      3.035463
  H      -6.231379      0.606776     -1.537190
  H      -7.322890     -3.801898     -0.839990
  H      -7.090802     -5.379253      1.086234
  H      -6.070134     -4.606718      3.219557
  H      -5.250123     -2.287865      3.449100
  H      -5.189564      6.050565      5.087948
  H      -4.377047      6.634252      6.557005
  H      -3.637653      7.803727      4.478014
  H      -2.284735      7.020859      5.307974
  H      -4.554813      5.157667      0.794544
  H      -0.384715      3.269435      0.869107
  H       1.583358      3.410587      2.404505
  H       1.503105      4.887367      4.407628
  H      -0.522629      6.182831      4.929572
  H      -7.218775      2.407586      7.534433
  H      -7.462918      3.045694      5.902567
  H      -7.508576      0.053213      6.594569
  H      -8.925689      1.076089      6.600548
  H      -8.115946      2.308506      1.813001
  H      -9.581954     -1.992677      1.211138
  H      -9.956275     -3.949177      2.722185
  H      -9.498461     -3.748952      5.161363
  H      -8.670765     -1.635327      6.114166
  N      -5.993916      3.827366      3.893384
  H      -6.881349      3.290161      3.803229
  H      -5.946756      4.642519      3.272458
89
Coordinates from ORCA-job orca E -6086.330243139252
  N      -3.526417      2.129026      3.715251
  Mo     -4.598137      3.155513      5.002191
  N      -5.667140      2.030673      6.197709
  C      -4.996429      1.146281      7.154779
  C      -3.539913      0.940428      6.761509
  N      -2.963975      2.226069      6.299451
  C      -1.787768      2.058299      5.412303
  C      -2.249764      1.518695      4.070746
  C      -2.690280      3.172161      7.406589
  C      -2.698021      4.584746      6.846369
  N      -3.813740      4.704567      5.909675
  H      -1.492154      1.747133      3.300728
  H      -2.345240      0.417372      4.100618
  H      -1.341679      3.051094      5.270741
  H      -1.029573      1.404784      5.876596
  H      -2.819570      5.307246      7.672197
  H      -1.738575      4.825596      6.353764
  H      -3.503135      3.069888      8.137620
  H      -1.738882      2.930045      7.910457
  H      -5.485743      0.158013      7.197536
  H      -5.081262      1.576309      8.172189
  H      -3.485425      0.238737      5.919181
  H      -2.954876      0.519532      7.597136
  C      -4.101854      1.591830      2.474240
  C      -4.712426      0.201527      2.674953
  C      -5.364131     -0.367684      1.443547
  N      -5.530214      0.433152      0.401677
  C      -6.147779     -0.089308     -0.694596
  N      -6.587892     -1.318807     -0.859519
  C      -6.418747     -2.166034      0.200442
  C      -6.861494     -3.507218      0.091172
  C      -6.709662     -4.373388      1.153847
  C      -6.120020     -3.935617      2.362874
  C      -5.675637     -2.635883      2.493492
  C      -5.805704     -1.727228      1.414173
  C      -4.222330      6.080485      5.616235
  C      -3.188375      6.824541      4.740708
  C      -2.900504      6.052773      3.480302
  N      -3.910603      5.927572      2.622179
  C      -3.697616      5.189577      1.500016
  N      -2.616824      4.507463      1.183610
  C      -1.571163      4.605353      2.053873
  C      -0.387366      3.877197      1.779814
  C       0.694402      3.971534      2.629369
  C       0.644671      4.808277      3.770133
  C      -0.496362      5.526823      4.063981
  C      -1.641557      5.424384      3.229511
  C      -7.099553      2.198749      6.472062
  C      -7.955170      0.972012      6.136933
  C      -8.186743      0.707571      4.668809
  N      -8.022998      1.710368      3.812430
  C      -8.293556      1.478963      2.496804
  N      -8.720381      0.361309      1.955350
  C      -8.899771     -0.691726      2.809081
  C      -9.359229     -1.923392      2.285869
  C      -9.550201     -2.999904      3.125278
  C      -9.292040     -2.886853      4.511546
  C      -8.841105     -1.697965      5.048131
  C      -8.632488     -0.571928      4.211912
  H      -4.865769      2.283858      2.104725
  H      -3.313372      1.550760      1.703755
  H      -5.465427      0.249769      3.483100
  H      -3.946002     -0.506616      3.027400
  H      -6.281863      0.602591     -1.531941
  H      -7.318951     -3.821527     -0.847994
  H      -7.050433     -5.406511      1.067236
  H      -6.018012     -4.634167      3.194870
  H      -5.225346     -2.306513      3.430801
  H      -5.181871      6.061262      5.088260
  H      -4.366293      6.640674      6.557423
  H      -3.618647      7.802040      4.474710
  H      -2.272071      7.014463      5.310719
  H      -4.537143      5.139844      0.799209
  H      -0.362283      3.260183      0.880530
  H       1.605275      3.410816      2.415821
  H       1.521125      4.893620      4.414303
  H      -0.508271      6.186003      4.932069
  H      -7.228215      2.425529      7.546711
  H      -7.472183      3.066090      5.915842
  H      -7.536646      0.075450      6.614894
  H      -8.946460      1.109376      6.605978
  H      -8.134480      2.330591      1.826647
  H      -9.542990     -1.987216      1.213048
  H      -9.898364     -3.950984      2.718999
  H      -9.453644     -3.748601      5.160902
  H      -8.657573     -1.626665      6.120578
  N      -6.010189      3.844374      3.902831
  H      -6.903224      3.317172      3.815274
  H      -5.956196      4.658759      3.281238
89
Coordinates from ORCA-job orca E -6086.330257919499
  N      -3.520313      2.125285      3.717490
  Mo     -4.593271      3.154041      5.002219
  N      -5.667211      2.031075      6.194220
  C      -5.000954      1.145126      7.152898
  C      -3.543739      0.936950      6.763378
  N      -2.964394      2.221918      6.303750
  C      -1.786205      2.053305      5.419469
  C      -2.245148      1.514297      4.076620
  C      -2.691600      3.167001      7.412109
  C      -2.696474      4.579777      6.852514
  N      -3.810579      4.701641      5.914154
  H      -1.485347      1.742201      3.308573
  H      -2.340989      0.412947      4.106386
  H      -1.338992      3.045864      5.279439
  H      -1.029604      1.399090      5.885401
  H      -2.818507      5.302076      7.678467
  H      -1.735530      4.819363      6.362174
  H      -3.505732      3.065323      8.141791
  H      -1.741328      2.922955      7.917115
  H      -5.492627      0.158003      7.194369
  H      -5.087362      1.575473      8.170045
  H      -3.487889      0.235669      5.920773
  H      -2.961649      0.514698      7.600364
  C      -4.093101      1.587940      2.475360
  C      -4.704509      0.197937      2.675283
  C      -5.356325     -0.370902      1.443489
  N      -5.520815      0.429788      0.401284
  C      -6.139700     -0.091764     -0.694784
  N      -6.582647     -1.320241     -0.859048
  C      -6.414160     -2.167824      0.200795
  C      -6.860039     -3.507985      0.092049
  C      -6.709212     -4.374412      1.154660
  C      -6.116974     -3.938036      2.362868
  C      -5.669742     -2.639218      2.493110
  C      -5.799461     -1.730145      1.414166
  C      -4.220297      6.077851      5.623848
  C      -3.188856      6.824999      4.748109
  C      -2.905744      6.059664      3.482572
  N      -3.917332      5.944847      2.624671
  C      -3.709351      5.212544      1.497993
  N      -2.632595      4.526149      1.176558
  C      -1.585490      4.613558      2.046214
  C      -0.405650      3.880697      1.767049
  C       0.677881      3.965504      2.615414
  C       0.633775      4.796715      3.760416
  C      -0.503505      5.518930      4.059529
  C      -1.650396      5.426519      3.226256
  C      -7.098903      2.206952      6.466470
  C      -7.960149      0.983355      6.133181
  C      -8.188467      0.714240      4.665318
  N      -8.024145      1.714673      3.806116
  C      -8.292914      1.478943      2.490947
  N      -8.718444      0.359426      1.952264
  C      -8.897958     -0.691063      2.808822
  C      -9.355047     -1.924911      2.288533
  C      -9.544613     -2.999583      3.130529
  C      -9.287593     -2.882377      4.516739
  C      -8.839688     -1.691152      5.050578
  C      -8.632198     -0.566924      4.211592
  H      -4.856083      2.280078      2.104424
  H      -3.303078      1.546435      1.706526
  H      -5.457955      0.246548      3.482961
  H      -3.938985     -0.510988      3.028276
  H      -6.272200      0.600036     -1.532488
  H      -7.319436     -3.821273     -0.846527
  H      -7.052823     -5.406629      1.068488
  H      -6.015723     -4.636803      3.194770
  H      -5.217934     -2.310779      3.430009
  H      -5.180524      6.058156      5.096997
  H      -4.363871      6.636076      6.566251
  H      -3.619317      7.804055      4.488451
  H      -2.270422      7.010946      5.316145
  H      -4.549214      5.172997      0.796873
  H      -0.384834      3.267989      0.864712
  H       1.585689      3.401412      2.397800
  H       1.511742      4.874813      4.403453
  H      -0.511554      6.173549      4.931102
  H      -7.228318      2.436313      7.540573
  H      -7.466477      3.075248      5.908436
  H      -7.547644      0.086814      6.616228
  H      -8.951850      1.128838      6.598817
  H      -8.132704      2.328171      1.818256
  H      -9.537751     -1.991936      1.215731
  H      -9.890907     -3.952331      2.726553
  H      -9.447913     -3.742728      5.168269
  H      -8.656838     -1.616942      6.122970
  N      -6.000424      3.842978      3.896371
  H      -6.895588      3.319610      3.807657
  H      -5.942896      4.655733      3.272760
89
Coordinates from ORCA-job orca E -6086.330271188544
  N      -3.519283      2.119511      3.718959
  Mo     -4.592543      3.152732      5.000795
  N      -5.669188      2.032638      6.191416
  C      -5.006577      1.146488      7.152554
  C      -3.548809      0.936332      6.766658
  N      -2.967398      2.220206      6.306419
  C      -1.788226      2.049270      5.424038
  C      -2.245434      1.508536      4.081406
  C      -2.693858      3.166259      7.414093
  C      -2.697415      4.578694      6.853011
  N      -3.811335      4.700603      5.914797
  H      -1.484038      1.735023      3.314432
  H      -2.341341      0.407168      4.112711
  H      -1.340184      3.041318      5.282898
  H      -1.032519      1.395475      5.892020
  H      -2.819000      5.301914      7.678226
  H      -1.735807      4.816921      6.363179
  H      -3.507875      3.065994      8.144119
  H      -1.743763      2.920720      7.918597
  H      -5.500211      0.160399      7.194274
  H      -5.094591      1.578629      8.168768
  H      -3.490647      0.233153      5.925834
  H      -2.969059      0.515484      7.605967
  C      -4.088671      1.583709      2.475048
  C      -4.701903      0.194571      2.671744
  C      -5.359830     -0.368540      1.440741
  N      -5.532362      0.437700      0.404364
  C      -6.155843     -0.079211     -0.691319
  N      -6.596705     -1.307774     -0.859947
  C      -6.418953     -2.161512      0.193439
  C      -6.858554     -3.503097      0.078018
  C      -6.696438     -4.376224      1.133555
  C      -6.100254     -3.944850      2.341553
  C      -5.659221     -2.644511      2.478181
  C      -5.799163     -1.729096      1.406016
  C      -4.221135      6.076582      5.622741
  C      -3.191471      6.822994      4.744912
  C      -2.907781      6.056014      3.480651
  N      -3.919783      5.936974      2.623781
  C      -3.712023      5.200312      1.500048
  N      -2.634750      4.513567      1.180494
  C      -1.586838      4.605610      2.048814
  C      -0.406827      3.871788      1.772466
  C       0.677067      3.960386      2.619988
  C       0.633162      4.796953      3.761170
  C      -0.504454      5.519497      4.057776
  C      -1.652001      5.423048      3.225634
  C      -7.099284      2.218703      6.464690
  C      -7.969969      0.999911      6.136488
  C      -8.194913      0.723789      4.669316
  N      -8.033468      1.722358      3.807018
  C      -8.300179      1.481330      2.492535
  N      -8.721327      0.358461      1.957080
  C      -8.895929     -0.690266      2.816606
  C      -9.346820     -1.927919      2.299800
  C      -9.531844     -3.001020      3.144715
  C      -9.275926     -2.878613      4.530739
  C      -8.834346     -1.683710      5.061396
  C      -8.632200     -0.560585      4.219420
  H      -4.849631      2.276843      2.101859
  H      -3.295852      1.541334      1.708993
  H      -5.452092      0.240813      3.482363
  H      -3.936605     -0.517378      3.018936
  H      -6.296448      0.617182     -1.523805
  H      -7.321335     -3.812375     -0.860175
  H      -7.033719     -5.409970      1.041194
  H      -5.989334     -4.649198      3.167453
  H      -5.203652     -2.319781      3.414516
  H      -5.182060      6.054454      5.097157
  H      -4.364072      6.636353      6.564257
  H      -3.622950      7.801282      4.484134
  H      -2.272807      7.010076      5.312118
  H      -4.552255      5.157274      0.799528
  H      -0.386078      3.255481      0.872628
  H       1.584848      3.395024      2.404896
  H       1.511741      4.878415      4.402876
  H      -0.512865      6.178422      4.926019
  H      -7.226950      2.452217      7.538145
  H      -7.461201      3.088121      5.904752
  H      -7.564686      0.104522      6.627422
  H      -8.961368      1.157673      6.598223
  H      -8.144167      2.329570      1.817581
  H      -9.529096     -1.998840      1.227220
  H      -9.874214     -3.956303      2.743579
  H      -9.432443     -3.737739      5.184731
  H      -8.652450     -1.605966      6.133669
  N      -5.996119      3.838975      3.888464
  H      -6.893495      3.319850      3.799601
  H      -5.934245      4.648034      3.260338
89
Coordinates from ORCA-job orca E -6086.330280574491
  N      -3.518131      2.117990      3.720067
  Mo     -4.592354      3.152925      5.000055
  N      -5.669388      2.033286      6.190407
  C      -5.007981      1.147141      7.152086
  C      -3.549676      0.938002      6.768107
  N      -2.968609      2.222146      6.308305
  C      -1.788572      2.051229      5.427106
  C      -2.244237      1.508189      4.084953
  C      -2.696882      3.168514      7.416166
  C      -2.700302      4.580741      6.854621
  N      -3.812918      4.701413      5.914810
  H      -1.482043      1.734116      3.318595
  H      -2.339562      0.406872      4.117807
  H      -1.341098      3.043392      5.285126
  H      -1.032710      1.398470      5.896350
  H      -2.823426      5.304292      7.679321
  H      -1.738068      4.819122      6.366167
  H      -3.511739      3.067870      8.145178
  H      -1.747210      2.923581      7.921781
  H      -5.501357      0.160838      7.192759
  H      -5.097421      1.579046      8.168306
  H      -3.489898      0.234818      5.927417
  H      -2.970701      0.517669      7.608195
  C      -4.084501      1.580700      2.475335
  C      -4.697275      0.191015      2.671170
  C      -5.358229     -0.369162      1.440333
  N      -5.535236      0.440568      0.407403
  C      -6.163258     -0.072538     -0.687622
  N      -6.605473     -1.300240     -0.858379
  C      -6.423550     -2.157446      0.191533
  C      -6.866525     -3.497743      0.074266
  C      -6.701224     -4.374347      1.126464
  C      -6.096910     -3.948167      2.332217
  C      -5.652284     -2.649205      2.470518
  C      -5.797104     -1.729762      1.402477
  C      -4.222489      6.076944      5.620366
  C      -3.192606      6.822677      4.741801
  C      -2.906910      6.054827      3.478734
  N      -3.917400      5.935841      2.620171
  C      -3.707865      5.199495      1.496507
  N      -2.630231      4.512672      1.178704
  C      -1.583894      4.604073      2.049122
  C      -0.403538      3.870382      1.774328
  C       0.679369      3.959192      2.623079
  C       0.633748      4.795599      3.764304
  C      -0.504455      5.517857      4.059419
  C      -1.650850      5.421487      3.225819
  C      -7.099190      2.221551      6.462816
  C      -7.970758      1.002675      6.136779
  C      -8.196386      0.724510      4.670397
  N      -8.036701      1.722466      3.807052
  C      -8.305056      1.479964      2.493281
  N      -8.727216      0.356572      1.959463
  C      -8.899002     -0.691761      2.819848
  C      -9.349094     -1.930405      2.304556
  C      -9.529206     -3.003848      3.150041
  C      -9.269752     -2.880598      4.535344
  C      -8.829787     -1.684513      5.064657
  C      -8.632173     -0.560973      4.222018
  H      -4.845113      2.273094      2.100236
  H      -3.290072      1.538483      1.710870
  H      -5.446052      0.236859      3.483266
  H      -3.931725     -0.521733      3.015973
  H      -6.306620      0.626700     -1.517236
  H      -7.334687     -3.803244     -0.862486
  H      -7.041704     -5.406971      1.032924
  H      -5.983278     -4.655225      3.155433
  H      -5.189671     -2.328915      3.404958
  H      -5.183464      6.054377      5.094904
  H      -4.365264      6.638320      6.560965
  H      -3.625112      7.800047      4.479332
  H      -2.274601      7.011565      5.309536
  H      -4.547122      5.156539      0.794869
  H      -0.381622      3.254343      0.874321
  H       1.587696      3.394383      2.408786
  H       1.511440      4.877179      4.407217
  H      -0.514030      6.176520      4.927859
  H      -7.227191      2.457223      7.535768
  H      -7.460134      3.090137      5.900968
  H      -7.566276      0.107774      6.629249
  H      -8.961750      1.162872      6.598525
  H      -8.149700      2.327228      1.817030
  H      -9.534019     -2.001817      1.232455
  H      -9.870193     -3.960031      2.749995
  H      -9.421939     -3.740148      5.189808
  H      -8.645042     -1.606432      6.136394
  N      -5.995278      3.834994      3.883949
  H      -6.892886      3.316267      3.795457
  H      -5.932940      4.642754      3.254183
89
Coordinates from ORCA-job orca E -6086.330297337405
  N      -3.522834      2.116568      3.719228
  Mo     -4.596095      3.155948      4.997061
  N      -5.676386      2.039399      6.187315
  C      -5.018695      1.150100      7.148208
  C      -3.560270      0.939316      6.766550
  N      -2.976313      2.222613      6.308214
  C      -1.795267      2.048208      5.428959
  C      -2.250428      1.504388      4.086770
  C      -2.704405      3.167628      7.417146
  C      -2.704550      4.580095      6.856055
  N      -3.815637      4.702175      5.914752
  H      -1.486358      1.728069      3.321641
  H      -2.348406      0.403451      4.120566
  H      -1.344932      3.038958      5.286501
  H      -1.041760      1.393949      5.899947
  H      -2.827655      5.303815      7.680635
  H      -1.741304      4.816796      6.369039
  H      -3.520260      3.067956      8.145165
  H      -1.755636      2.921043      7.923642
  H      -5.513367      0.164305      7.185799
  H      -5.109552      1.580084      8.165164
  H      -3.500225      0.236672      5.925442
  H      -2.983313      0.517202      7.607122
  C      -4.086492      1.579844      2.472806
  C      -4.701757      0.190938      2.666640
  C      -5.365819     -0.364710      1.435391
  N      -5.555914      0.452606      0.410581
  C      -6.188798     -0.055129     -0.684340
  N      -6.625442     -1.283763     -0.861807
  C      -6.431297     -2.148181      0.180086
  C      -6.871004     -3.488883      0.056085
  C      -6.695436     -4.372697      1.100701
  C      -6.082026     -3.953833      2.304312
  C      -5.639319     -2.654820      2.448420
  C      -5.796490     -1.727402      1.389143
  C      -4.221439      6.078060      5.617019
  C      -3.190066      6.819672      4.735602
  C      -2.901922      6.047552      3.476273
  N      -3.909742      5.926591      2.615154
  C      -3.696520      5.188907      1.492862
  N      -2.616886      4.504585      1.177869
  C      -1.573430      4.596505      2.051930
  C      -0.391716      3.864588      1.780027
  C       0.688405      3.953647      2.632087
  C       0.638007      4.788424      3.774237
  C      -0.501770      5.509448      4.066156
  C      -1.645084      5.413349      3.228648
  C      -7.104574      2.237022      6.462390
  C      -7.983514      1.022392      6.140671
  C      -8.202932      0.732738      4.676075
  N      -8.050402      1.726907      3.807057
  C      -8.316647      1.474757      2.494791
  N      -8.730831      0.345355      1.967242
  C      -8.893297     -0.699789      2.833101
  C      -9.332028     -1.945283      2.324627
  C      -9.500270     -3.016321      3.175531
  C      -9.240957     -2.883551      4.559930
  C      -8.813237     -1.680276      5.082977
  C      -8.627068     -0.559091      4.234513
  H      -4.844498      2.273560      2.095037
  H      -3.289438      1.535805      1.711089
  H      -5.449742      0.238308      3.479600
  H      -3.937547     -0.523554      3.010433
  H      -6.340763      0.649893     -1.507461
  H      -7.345145     -3.788893     -0.879405
  H      -7.034195     -5.405493      1.002350
  H      -5.960555     -4.666262      3.121731
  H      -5.168071     -2.341087      3.380789
  H      -5.183542      6.058178      5.093569
  H      -4.360366      6.642490      6.556408
  H      -3.622965      7.795527      4.468284
  H      -2.272991      7.011839      5.303752
  H      -4.534295      5.143567      0.789876
  H      -0.366656      3.249780      0.879252
  H       1.598069      3.390597      2.419634
  H       1.513250      4.869788      4.420505
  H      -0.514156      6.166914      4.935458
  H      -7.229332      2.475857      7.535030
  H      -7.462054      3.106056      5.898989
  H      -7.590569      0.129006      6.644671
  H      -8.975952      1.196450      6.594691
  H      -8.165651      2.318446      1.813291
  H      -9.517231     -2.023759      1.253072
  H      -9.831440     -3.978007      2.780666
  H      -9.383021     -3.741596      5.218613
  H      -8.629162     -1.594963      6.154232
  N      -5.997391      3.836344      3.877714
  H      -6.896300      3.319774      3.790881
  H      -5.932573      4.641698      3.245047
89
Coordinates from ORCA-job orca E -6086.330313264642
  N      -3.521564      2.116441      3.719526
  Mo     -4.596809      3.156103      4.995445
  N      -5.675164      2.039367      6.187886
  C      -5.016784      1.151180      7.149026
  C      -3.557615      0.942964      6.768594
  N      -2.975936      2.226805      6.308615
  C      -1.794285      2.052583      5.430127
  C      -2.248405      1.506022      4.088589
  C      -2.706571      3.173225      7.416841
  C      -2.708715      4.585338      6.854574
  N      -3.818851      4.704050      5.911794
  H      -1.484202      1.729465      3.323554
  H      -2.345776      0.405123      4.123850
  H      -1.344929      3.043566      5.286176
  H      -1.040301      1.399801      5.902414
  H      -2.834186      5.309673      7.678244
  H      -1.745590      4.823472      6.368117
  H      -3.523129      3.072754      8.143949
  H      -1.757939      2.929137      7.924782
  H      -5.509273      0.164173      7.185556
  H      -5.109877      1.580384      8.166116
  H      -3.495889      0.239082      5.928674
  H      -2.980168      0.523118      7.609948
  C      -4.082728      1.578256      2.472719
  C      -4.701642      0.190789      2.667347
  C      -5.370790     -0.360786      1.437061
  N      -5.566797      0.461040      0.416893
  C      -6.203878     -0.042436     -0.677474
  N      -6.640688     -1.270471     -0.858333
  C      -6.441488     -2.139194      0.178988
  C      -6.882408     -3.479156      0.051394
  C      -6.701825     -4.367622      1.091164
  C      -6.081257     -3.954372      2.293045
  C      -5.637323     -2.656149      2.440541
  C      -5.800422     -1.723623      1.386556
  C      -4.224825      6.078442      5.608620
  C      -3.193515      6.818014      4.724693
  C      -2.899796      6.039781      3.470644
  N      -3.904851      5.909491      2.607738
  C      -3.684928      5.167374      1.489421
  N      -2.600731      4.488338      1.179750
  C      -1.560035      4.589355      2.056136
  C      -0.373886      3.862892      1.789712
  C       0.703348      3.960387      2.644493
  C       0.645395      4.798596      3.783713
  C      -0.498742      5.515110      4.069926
  C      -1.639130      5.410252      3.229597
  C      -7.103761      2.234241      6.462845
  C      -7.980663      1.017845      6.142410
  C      -8.203868      0.728335      4.678654
  N      -8.053754      1.723193      3.809897
  C      -8.324560      1.472575      2.498368
  N      -8.740849      0.343761      1.971251
  C      -8.899592     -0.702520      2.836497
  C      -9.339078     -1.947758      2.328116
  C      -9.503008     -3.020088      3.178211
  C      -9.238737     -2.888946      4.561744
  C      -8.810354     -1.685935      5.084767
  C      -8.628398     -0.563445      4.237135
  H      -4.838201      2.272611      2.091316
  H      -3.283294      1.531161      1.713665
  H      -5.447702      0.240797      3.482013
  H      -3.938793     -0.525979      3.009119
  H      -6.359813      0.666263     -1.496667
  H      -7.361587     -3.774778     -0.882903
  H      -7.041960     -5.399726      0.990249
  H      -5.955608     -4.670336      3.106716
  H      -5.160383     -2.347204      3.371588
  H      -5.187128      6.057363      5.085613
  H      -4.363193      6.646501      6.545956
  H      -3.629607      7.790558      4.450466
  H      -2.278532      7.017459      5.293640
  H      -4.521266      5.113281      0.785394
  H      -0.343495      3.245139      0.891132
  H       1.616576      3.401626      2.436214
  H       1.518066      4.886313      4.432598
  H      -0.516237      6.175132      4.937177
  H      -7.228331      2.473765      7.535280
  H      -7.463091      3.101801      5.898272
  H      -7.584794      0.124959      6.645089
  H      -8.972277      1.189559      6.599102
  H      -8.176813      2.317187      1.817242
  H      -9.528008     -2.024909      1.257125
  H      -9.834398     -3.981677      2.783386
  H      -9.377110     -3.748150      5.219678
  H      -8.622101     -1.602101      6.155381
  N      -6.000218      3.828657      3.874376
  H      -6.897795      3.308863      3.790059
  H      -5.937028      4.631635      3.238603
89
Coordinates from ORCA-job orca E -6086.330340864404
  N      -3.521742      2.117420      3.717618
  Mo     -4.598365      3.156468      4.992719
  N      -5.674779      2.039795      6.188249
  C      -5.015323      1.151148      7.147936
  C      -3.555520      0.945162      6.767660
  N      -2.975827      2.229621      6.306484
  C      -1.793903      2.056191      5.428276
  C      -2.247539      1.508598      4.086845
  C      -2.708643      3.176535      7.414631
  C      -2.712898      4.588893      6.852600
  N      -3.821840      4.704942      5.908120
  H      -1.483698      1.732500      3.321652
  H      -2.344491      0.407665      4.122269
  H      -1.345483      3.047561      5.283811
  H      -1.039477      1.404279      5.901031
  H      -2.841102      5.313001      7.676034
  H      -1.749872      4.829172      6.367030
  H      -3.525896      3.074813      8.140793
  H      -1.760194      2.934599      7.923910
  H      -5.505697      0.162905      7.182047
  H      -5.110213      1.577795      8.165933
  H      -3.493105      0.240334      5.928585
  H      -2.977185      0.526958      7.609196
  C      -4.081612      1.577768      2.471051
  C      -4.708299      0.193787      2.668341
  C      -5.380900     -0.354782      1.438476
  N      -5.582956      0.471042      0.422535
  C      -6.222402     -0.029243     -0.671601
  N      -6.657475     -1.257375     -0.856189
  C      -6.452936     -2.129958      0.176706
  C      -6.891955     -3.470186      0.044877
  C      -6.705583     -4.363017      1.079742
  C      -6.081014     -3.953850      2.281017
  C      -5.639161     -2.655435      2.432707
  C      -5.808006     -1.718211      1.383612
  C      -4.227723      6.077558      5.599137
  C      -3.197439      6.814679      4.711253
  C      -2.895979      6.027835      3.464457
  N      -3.898036      5.882157      2.600533
  C      -3.668649      5.133346      1.488307
  N      -2.576966      4.463926      1.184900
  C      -1.539237      4.580400      2.062884
  C      -0.345411      3.864133      1.803045
  C       0.728075      3.975456      2.660966
  C       0.658396      4.817603      3.796459
  C      -0.493037      5.525358      4.075703
  C      -1.629308      5.406743      3.231775
  C      -7.103408      2.232113      6.464794
  C      -7.979713      1.015280      6.145625
  C      -8.206490      0.724884      4.682778
  N      -8.062004      1.720855      3.814144
  C      -8.339092      1.471921      2.503675
  N      -8.754863      0.342706      1.977261
  C      -8.906386     -0.705261      2.841923
  C      -9.344710     -1.950946      2.333798
  C      -9.502663     -3.024701      3.183225
  C      -9.233276     -2.894737      4.565796
  C      -8.805524     -1.691393      5.088530
  C      -8.629621     -0.567504      4.241590
  H      -4.833297      2.273772      2.085476
  H      -3.279940      1.524989      1.714852
  H      -5.454740      0.250613      3.482235
  H      -3.949496     -0.526111      3.012065
  H      -6.382396      0.682802     -1.487118
  H      -7.374338     -3.762315     -0.888862
  H      -7.044322     -5.395231      0.975632
  H      -5.950427     -4.673052      3.091030
  H      -5.159869     -2.350107      3.363706
  H      -5.190700      6.055247      5.077384
  H      -4.364710      6.649728      6.534251
  H      -3.638583      7.782180      4.427251
  H      -2.285305      7.025207      5.280654
  H      -4.503896      5.064291      0.784255
  H      -0.306862      3.242253      0.907656
  H       1.647301      3.424588      2.457885
  H       1.527478      4.915606      4.448666
  H      -0.518663      6.187968      4.940717
  H      -7.226077      2.470912      7.537532
  H      -7.464841      3.099011      5.900416
  H      -7.584181      0.122551      6.648971
  H      -8.971009      1.187179      6.603126
  H      -8.197836      2.318240      1.823212
  H      -9.537798     -2.027064      1.263491
  H      -9.833393     -3.986638      2.788643
  H      -9.367117     -3.755109      5.223115
  H      -8.612955     -1.608631      6.158446
  N      -6.004872      3.819225      3.870562
  H      -6.901477      3.296161      3.792109
  H      -5.943163      4.617589      3.228893
89
Coordinates from ORCA-job orca E -6086.330378329704
  N      -3.520714      2.117869      3.713863
  Mo     -4.598665      3.155523      4.988793
  N      -5.672580      2.039050      6.188296
  C      -5.011278      1.150131      7.146187
  C      -3.550883      0.946354      6.765111
  N      -2.973385      2.231263      6.302379
  C      -1.791584      2.059620      5.423878
  C      -2.244953      1.511631      4.082401
  C      -2.708160      3.178970      7.410160
  C      -2.715439      4.591552      6.848572
  N      -3.823618      4.704714      5.902846
  H      -1.482143      1.736551      3.316547
  H      -2.340720      0.410491      4.117558
  H      -1.344930      3.051847      5.279386
  H      -1.036028      1.408888      5.896390
  H      -2.846744      5.315092      7.672011
  H      -1.752734      4.834722      6.363802
  H      -3.525716      3.075859      8.135820
  H      -1.759641      2.939431      7.920416
  H      -5.499464      0.160638      7.178070
  H      -5.107478      1.574002      8.165195
  H      -3.488431      0.240436      5.926921
  H      -2.970988      0.530127      7.606515
  C      -4.080650      1.574838      2.469048
  C      -4.717163      0.195724      2.671698
  C      -5.395370     -0.350282      1.443504
  N      -5.603493      0.478743      0.431236
  C      -6.246582     -0.018586     -0.661652
  N      -6.680726     -1.246722     -0.848848
  C      -6.470025     -2.122751      0.179672
  C      -6.906795     -3.463428      0.044302
  C      -6.713733     -4.360263      1.074257
  C      -6.085238     -3.954375      2.274729
  C      -5.645938     -2.655563      2.430093
  C      -5.820886     -1.714166      1.385554
  C      -4.231071      6.075291      5.589413
  C      -3.203449      6.812246      4.697873
  C      -2.890786      6.016669      3.459230
  N      -3.889155      5.850716      2.594642
  C      -3.647480      5.094410      1.490014
  N      -2.545653      4.438815      1.193395
  C      -1.511483      4.576036      2.072524
  C      -0.307320      3.873959      1.820766
  C       0.761421      4.003982      2.682157
  C       0.676471      4.851129      3.812617
  C      -0.484805      5.546191      4.083457
  C      -1.615976      5.408686      3.235679
  C      -7.101678      2.226559      6.465201
  C      -7.975675      1.008029      6.146425
  C      -8.210235      0.719798      4.684299
  N      -8.071610      1.717834      3.816843
  C      -8.356866      1.472434      2.507496
  N      -8.773171      0.343670      1.980821
  C      -8.917477     -0.706684      2.843851
  C      -9.355338     -1.952117      2.334782
  C      -9.507746     -3.028015      3.182510
  C      -9.232631     -2.900770      4.564161
  C      -8.804339     -1.697968      5.087583
  C      -8.634106     -0.571955      4.242435
  H      -4.828191      2.272320      2.078333
  H      -3.277273      1.513801      1.715497
  H      -5.463078      0.261015      3.485323
  H      -3.963033     -0.528052      3.017206
  H      -6.411022      0.696246     -1.473869
  H      -7.393069     -3.752311     -0.888429
  H      -7.050555     -5.392797      0.967284
  H      -5.948732     -4.676542      3.081108
  H      -5.165177     -2.353131      3.361229
  H      -5.194496      6.050144      5.068473
  H      -4.368217      6.650469      6.522722
  H      -3.652139      7.772964      4.402717
  H      -2.295373      7.037259      5.268128
  H      -4.480822      5.007061      0.785659
  H      -0.257769      3.246940      0.929547
  H       1.688413      3.463821      2.485654
  H       1.541129      4.963442      4.468361
  H      -0.521542      6.212050      4.945493
  H      -7.223806      2.463918      7.538293
  H      -7.465691      3.092738      5.901300
  H      -7.576419      0.114988      6.646374
  H      -8.965531      1.176041      6.608494
  H      -8.222369      2.321213      1.828837
  H      -9.552913     -2.026089      1.265158
  H      -9.838719     -3.989616      2.787368
  H      -9.362539     -3.762777      5.220090
  H      -8.606438     -1.617625      6.156703
  N      -6.007658      3.805356      3.863404
  H      -6.904000      3.279894      3.792480
  H      -5.945578      4.595543      3.211694
89
Coordinates from ORCA-job orca E -6086.330430735614
  N      -3.517562      2.118521      3.706815
  Mo     -4.597665      3.151860      4.983252
  N      -5.668101      2.033833      6.185940
  C      -5.003185      1.145187      7.141380
  C      -3.542365      0.945030      6.758321
  N      -2.967980      2.231002      6.295157
  C      -1.786639      2.063350      5.415567
  C      -2.239698      1.515951      4.073827
  C      -2.704925      3.179254      7.402957
  C      -2.717095      4.592355      6.842807
  N      -3.825011      4.702001      5.896441
  H      -1.478384      1.742876      3.307120
  H      -2.333039      0.414415      4.107832
  H      -1.343063      3.057233      5.272237
  H      -1.028846      1.414206      5.886628
  H      -2.852061      5.314464      7.666918
  H      -1.754993      4.839818      6.358984
  H      -3.521881      3.073444      8.128963
  H      -1.755609      2.942446      7.913039
  H      -5.488445      0.154130      7.171524
  H      -5.099678      1.566120      8.161564
  H      -3.479832      0.239097      5.920095
  H      -2.960354      0.530397      7.599041
  C      -4.078153      1.570201      2.464784
  C      -4.728099      0.198242      2.675048
  C      -5.410608     -0.346820      1.448266
  N      -5.620556      0.482954      0.436765
  C      -6.266593     -0.012605     -0.654715
  N      -6.702365     -1.240311     -0.842093
  C      -6.489476     -2.117409      0.184743
  C      -6.926325     -3.458085      0.048579
  C      -6.731406     -4.356295      1.076756
  C      -6.101867     -3.951419      2.277194
  C      -5.662584     -2.652769      2.433601
  C      -5.838307     -1.710048      1.390268
  C      -4.236723      6.070198      5.580064
  C      -3.213455      6.809384      4.685293
  C      -2.883957      6.004800      3.456482
  N      -3.877438      5.811430      2.591861
  C      -3.619588      5.046953      1.496680
  N      -2.504072      4.410932      1.207688
  C      -1.474246      4.576654      2.087114
  C      -0.255380      3.896272      1.844319
  C       0.807868      4.053275      2.708371
  C       0.702170      4.906116      3.832533
  C      -0.473228      5.580941      4.094093
  C      -1.598109      5.416797      3.242798
  C      -7.097441      2.215938      6.463763
  C      -7.968585      0.995589      6.144824
  C      -8.214404      0.712024      4.683361
  N      -8.082873      1.712319      3.817395
  C      -8.379876      1.471159      2.509773
  N      -8.799327      0.343561      1.983302
  C      -8.935997     -0.709161      2.844608
  C      -9.376992     -1.953404      2.335269
  C      -9.523996     -3.031340      3.181392
  C      -9.240021     -2.907469      4.561575
  C      -8.807651     -1.706089      5.084923
  C      -8.642551     -0.578156      4.241327
  H      -4.820131      2.269571      2.066990
  H      -3.273094      1.497292      1.714334
  H      -5.475316      0.275538      3.486262
  H      -3.981175     -0.530471      3.025623
  H      -6.432993      0.703265     -1.465643
  H      -7.414596     -3.745369     -0.883625
  H      -7.067865     -5.388819      0.968943
  H      -5.963528     -4.674338      3.082583
  H      -5.182706     -2.351333      3.365505
  H      -5.200292      6.039561      5.059477
  H      -4.376261      6.647164      6.511911
  H      -3.672741      7.760796      4.376488
  H      -2.311404      7.053600      5.257244
  H      -4.450596      4.934778      0.792875
  H      -0.190680      3.263311      0.958290
  H       1.746082      3.529761      2.518878
  H       1.561540      5.039357      4.491294
  H      -0.525725      6.250518      4.952380
  H      -7.219204      2.450722      7.537491
  H      -7.464628      3.082037      5.901656
  H      -7.564104      0.101373      6.638551
  H      -8.956185      1.157992      6.613783
  H      -8.251251      2.322099      1.832890
  H      -9.581962     -2.024646      1.266867
  H      -9.858107     -3.991851      2.786173
  H      -9.366619     -3.770842      5.216340
  H      -8.602286     -1.628428      6.152821
  N      -6.008956      3.785873      3.852610
  H      -6.905822      3.259574      3.791511
  H      -5.946417      4.565729      3.188600
89
Coordinates from ORCA-job orca E -6086.330494632129
  N      -3.516437      2.116370      3.695142
  Mo     -4.597097      3.145343      4.974728
  N      -5.662016      2.025569      6.181467
  C      -4.991251      1.139635      7.135176
  C      -3.531104      0.942803      6.747108
  N      -2.960398      2.229520      6.282518
  C      -1.781056      2.065730      5.399819
  C      -2.236056      1.517821      4.059068
  C      -2.697703      3.179243      7.389331
  C      -2.716614      4.592425      6.829758
  N      -3.826458      4.697484      5.885294
  H      -1.477325      1.745708      3.290062
  H      -2.326473      0.415881      4.093158
  H      -1.341121      3.061362      5.256749
  H      -1.019842      1.418722      5.868265
  H      -2.853819      5.313415      7.654522
  H      -1.756082      4.844224      6.345138
  H      -3.512046      3.070542      8.117877
  H      -1.746190      2.945492      7.896782
  H      -5.473633      0.147196      7.167427
  H      -5.085104      1.560394      8.155674
  H      -3.470306      0.237339      5.908287
  H      -2.945585      0.529348      7.585991
  C      -4.080647      1.560677      2.458173
  C      -4.742928      0.196156      2.678039
  C      -5.434314     -0.347451      1.455004
  N      -5.647962      0.483115      0.444759
  C      -6.300461     -0.009952     -0.643639
  N      -6.738794     -1.237056     -0.830157
  C      -6.521518     -2.115387      0.194406
  C      -6.959657     -3.455724      0.058539
  C      -6.761672     -4.355276      1.084805
  C      -6.128259     -3.951770      2.283803
  C      -5.687104     -2.653681      2.439910
  C      -5.865309     -1.709741      1.398138
  C      -4.245646      6.062936      5.567222
  C      -3.227129      6.807624      4.671797
  C      -2.871424      5.993199      3.456506
  N      -3.856114      5.760977      2.591310
  C      -3.574345      4.985697      1.510046
  N      -2.440091      4.377580      1.232825
  C      -1.418079      4.584113      2.112855
  C      -0.179512      3.934474      1.884398
  C       0.874891      4.131082      2.751325
  C       0.739851      4.993678      3.864641
  C      -0.455011      5.638946      4.111907
  C      -1.570336      5.435177      3.256672
  C      -7.091750      2.200659      6.460156
  C      -7.957383      0.976336      6.140853
  C      -8.220650      0.701445      4.680353
  N      -8.097641      1.704949      3.817069
  C      -8.408353      1.469022      2.511520
  N      -8.832984      0.343495      1.984796
  C      -8.961656     -0.712238      2.843490
  C      -9.407512     -1.954602      2.333603
  C      -9.547538     -3.035416      3.177269
  C      -9.251505     -2.916394      4.555382
  C      -8.813484     -1.717161      5.078885
  C      -8.655058     -0.586348      4.237670
  H      -4.817746      2.261426      2.053741
  H      -3.275827      1.474519      1.709031
  H      -5.488018      0.283576      3.489988
  H      -4.001634     -0.537839      3.029672
  H      -6.470559      0.706779     -1.453013
  H      -7.451909     -3.741189     -0.872139
  H      -7.098672     -5.387628      0.976908
  H      -5.987457     -4.675397      3.088129
  H      -5.204960     -2.353522      3.371042
  H      -5.207991      6.023560      5.044872
  H      -4.391910      6.639939      6.497930
  H      -3.699625      7.746587      4.345304
  H      -2.334962      7.076417      5.248344
  H      -4.399475      4.840109      0.805428
  H      -0.092661      3.292612      1.006679
  H       1.828056      3.631312      2.572517
  H       1.591418      5.157933      4.526487
  H      -0.530808      6.315528      4.962925
  H      -7.214228      2.433310      7.534325
  H      -7.463413      3.066175      5.899922
  H      -7.539737      0.080985      6.621475
  H      -8.940370      1.126206      6.623314
  H      -8.285027      2.322331      1.836918
  H      -9.622394     -2.022063      1.266911
  H      -9.885855     -3.994241      2.781719
  H      -9.373382     -3.781791      5.208353
  H      -8.598480     -1.643204      6.145093
  N      -6.008505      3.764706      3.836516
  H      -6.908356      3.242653      3.784665
  H      -5.940352      4.530665      3.156786
89
Coordinates from ORCA-job orca E -6086.330544197779
  N      -3.514409      2.114526      3.686053
  Mo     -4.596864      3.137645      4.969536
  N      -5.657040      2.013255      6.175884
  C      -4.980923      1.132378      7.130402
  C      -3.521974      0.938550      6.737618
  N      -2.954221      2.226394      6.273408
  C      -1.776343      2.066342      5.388107
  C      -2.232431      1.518709      4.047933
  C      -2.691357      3.176274      7.379937
  C      -2.716036      4.589375      6.821375
  N      -3.828563      4.692218      5.879916
  H      -1.475174      1.747873      3.277787
  H      -2.320006      0.416468      4.081632
  H      -1.339089      3.063391      5.246280
  H      -1.012463      1.420637      5.854045
  H      -2.853263      5.309111      7.647269
  H      -1.757033      4.844033      6.335345
  H      -3.502475      3.064320      8.111570
  H      -1.737291      2.944466      7.883553
  H      -5.460691      0.138869      7.167979
  H      -5.071426      1.556320      8.149907
  H      -3.462724      0.235088      5.896965
  H      -2.933859      0.524306      7.574352
  C      -4.080816      1.552599      2.452726
  C      -4.750591      0.193239      2.678873
  C      -5.442099     -0.353355      1.456790
  N      -5.645344      0.471438      0.439504
  C      -6.296344     -0.024494     -0.648699
  N      -6.741867     -1.250059     -0.828834
  C      -6.535615     -2.122372      0.202982
  C      -6.982385     -3.460598      0.074641
  C      -6.797666     -4.353566      1.109118
  C      -6.169076     -3.945466      2.309100
  C      -5.718653     -2.649622      2.457721
  C      -5.883399     -1.712622      1.407678
  C      -4.251000      6.058871      5.568208
  C      -3.232097      6.809986      4.678358
  C      -2.859886      5.998044      3.466311
  N      -3.840435      5.749533      2.601217
  C      -3.548547      4.974583      1.523186
  N      -2.404834      4.382370      1.247368
  C      -1.385042      4.607189      2.126569
  C      -0.135159      3.978202      1.899075
  C       0.917124      4.194798      2.764325
  C       0.767208      5.056793      3.876392
  C      -0.438823      5.681285      4.122673
  C      -1.550977      5.458692      3.267948
  C      -7.087258      2.183579      6.453254
  C      -7.945633      0.954972      6.131238
  C      -8.219381      0.688491      4.670995
  N      -8.094821      1.691427      3.808226
  C      -8.411091      1.456297      2.503496
  N      -8.844591      0.333638      1.978069
  C      -8.977996     -0.720858      2.837319
  C      -9.435260     -1.960000      2.329672
  C      -9.579542     -3.039517      3.174325
  C      -9.276832     -2.922063      4.551117
  C      -8.827682     -1.725844      5.072224
  C      -8.664553     -0.596484      4.229721
  H      -4.814127      2.254286      2.042843
  H      -3.275954      1.456884      1.704759
  H      -5.496899      0.287554      3.488824
  H      -4.013749     -0.543394      3.034917
  H      -6.458674      0.687510     -1.463759
  H      -7.471070     -3.749542     -0.856850
  H      -7.141598     -5.384230      1.007215
  H      -6.039851     -4.663519      3.120325
  H      -5.240020     -2.345504      3.389390
  H      -5.211817      6.018045      5.043252
  H      -4.402171      6.629996      6.501597
  H      -3.709042      7.744491      4.345728
  H      -2.346911      7.087295      5.261889
  H      -4.372049      4.815904      0.819013
  H      -0.037376      3.336587      1.022274
  H       1.879438      3.711612      2.585383
  H       1.616070      5.236756      4.537598
  H      -0.526955      6.356844      4.973435
  H      -7.213457      2.415221      7.527238
  H      -7.461432      3.048600      5.893707
  H      -7.515002      0.058593      6.598526
  H      -8.925129      1.090890      6.624681
  H      -8.281377      2.307300      1.827866
  H      -9.655588     -2.026352      1.264017
  H      -9.926504     -3.995908      2.780387
  H      -9.402202     -3.786291      5.204993
  H      -8.608038     -1.652443      6.137469
  N      -6.008126      3.751973      3.826614
  H      -6.909611      3.233445      3.778734
  H      -5.939800      4.512902      3.141706
89
Coordinates from ORCA-job orca E -6086.330524081681
  N      -3.508413      2.109276      3.673625
  Mo     -4.590046      3.127441      4.962312
  N      -5.645800      1.996647      6.164381
  C      -4.962730      1.121780      7.119984
  C      -3.506260      0.930182      6.721053
  N      -2.941464      2.220017      6.259102
  C      -1.765834      2.062501      5.370057
  C      -2.225629      1.513739      4.031643
  C      -2.677396      3.169855      7.366820
  C      -2.709354      4.583942      6.809586
  N      -3.826116      4.682241      5.872880
  H      -1.470075      1.741994      3.259438
  H      -2.311364      0.411445      4.066429
  H      -1.330588      3.060440      5.228160
  H      -0.999172      1.418015      5.833160
  H      -2.845101      5.302970      7.636373
  H      -1.752383      4.841264      6.321150
  H      -3.483859      3.052888      8.102684
  H      -1.719711      2.939798      7.864368
  H      -5.440961      0.127980      7.166410
  H      -5.046716      1.552116      8.137409
  H      -3.449383      0.230902      5.876780
  H      -2.915683      0.512425      7.554393
  C      -4.083541      1.545938      2.445152
  C      -4.752597      0.188195      2.677011
  C      -5.449044     -0.361520      1.459485
  N      -5.645149      0.457211      0.436040
  C      -6.299379     -0.041625     -0.649030
  N      -6.753911     -1.265240     -0.820323
  C      -6.555986     -2.130922      0.218690
  C      -7.013723     -3.466297      0.100864
  C      -6.839395     -4.351625      1.143887
  C      -6.210140     -3.938765      2.341810
  C      -5.747730     -2.645812      2.479700
  C      -5.902283     -1.717033      1.421187
  C      -4.265249      6.042965      5.558540
  C      -3.253221      6.804457      4.670905
  C      -2.856392      5.985592      3.470993
  N      -3.826078      5.694108      2.606742
  C      -3.507699      4.906595      1.544740
  N      -2.346590      4.343581      1.282632
  C      -1.336624      4.616540      2.158451
  C      -0.067144      4.025679      1.943136
  C       0.976616      4.293787      2.802867
  C       0.797444      5.169188      3.900147
  C      -0.429157      5.755273      4.135016
  C      -1.532453      5.481985      3.283606
  C      -7.076333      2.159410      6.448146
  C      -7.928940      0.927725      6.121530
  C      -8.225780      0.677632      4.662226
  N      -8.112698      1.687351      3.806107
  C      -8.447293      1.462330      2.503636
  N      -8.891686      0.344937      1.975919
  C      -9.017248     -0.715727      2.829278
  C      -9.489650     -1.948548      2.320067
  C      -9.626968     -3.033368      3.159224
  C      -9.301911     -2.927499      4.531785
  C      -8.837783     -1.737604      5.054346
  C      -8.681997     -0.602810      4.217410
  H      -4.818420      2.248734      2.039424
  H      -3.284915      1.447258      1.690654
  H      -5.495663      0.281980      3.489944
  H      -4.014437     -0.548608      3.030665
  H      -6.456732      0.665091     -1.469514
  H      -7.501840     -3.759636     -0.829515
  H      -7.191364     -5.380342      1.049959
  H      -6.090351     -4.650710      3.159825
  H      -5.265676     -2.337757      3.408339
  H      -5.222645      5.984935      5.029422
  H      -4.430143      6.613276      6.489892
  H      -3.743276      7.727556      4.325802
  H      -2.377317      7.102799      5.258217
  H      -4.321260      4.708188      0.840690
  H       0.053521      3.372970      1.077389
  H       1.954068      3.841796      2.630506
  H       1.639959      5.388944      4.557379
  H      -0.542818      6.441540      4.974203
  H      -7.198454      2.385246      7.523781
  H      -7.458892      3.025771      5.896011
  H      -7.477785      0.029917      6.566640
  H      -8.901370      1.043631      6.633245
  H      -8.323266      2.318071      1.832013
  H      -9.728212     -2.006072      1.257812
  H      -9.985849     -3.984659      2.763806
  H      -9.421506     -3.795772      5.181373
  H      -8.602371     -1.672189      6.116646
  N      -5.993626      3.753033      3.815097
  H      -6.901928      3.249619      3.762985
  H      -5.911325      4.514607      3.130703
89
Coordinates from ORCA-job orca E -6086.330586927623
  N      -3.513813      2.108743      3.681267
  Mo     -4.594635      3.130902      4.968428
  N      -5.650934      2.000709      6.169054
  C      -4.970720      1.127959      7.128517
  C      -3.514328      0.934164      6.731040
  N      -2.948327      2.223242      6.267362
  C      -1.772421      2.062815      5.378861
  C      -2.232097      1.511964      4.041340
  C      -2.682434      3.172813      7.374011
  C      -2.711812      4.585809      6.815384
  N      -3.829067      4.687542      5.879403
  H      -1.475643      1.738499      3.269481
  H      -2.318980      0.409939      4.078406
  H      -1.335538      3.059676      5.234828
  H      -1.006964      1.418088      5.843638
  H      -2.844841      5.305731      7.641841
  H      -1.754537      4.840287      6.325994
  H      -3.488823      3.057635      8.110186
  H      -1.724869      2.941555      7.871151
  H      -5.450414      0.135031      7.177880
  H      -5.055455      1.562188      8.144217
  H      -3.457336      0.233687      5.887798
  H      -2.924558      0.516739      7.565093
  C      -4.086610      1.546039      2.451149
  C      -4.744016      0.181775      2.678135
  C      -5.436741     -0.369482      1.459317
  N      -5.628658      0.447138      0.433424
  C      -6.278228     -0.054680     -0.653594
  N      -6.731651     -1.278589     -0.823896
  C      -6.538734     -2.141790      0.218430
  C      -6.997121     -3.476988      0.102162
  C      -6.827290     -4.359681      1.148267
  C      -6.201376     -3.944617      2.347037
  C      -5.738575     -2.651621      2.483360
  C      -5.889382     -1.725356      1.422130
  C      -4.257232      6.054962      5.575480
  C      -3.235801      6.813288      4.695044
  C      -2.858718      6.008130      3.480093
  N      -3.838246      5.755612      2.615159
  C      -3.544116      4.982427      1.536407
  N      -2.398170      4.395610      1.259076
  C      -1.377582      4.627986      2.135530
  C      -0.123690      4.009833      1.903906
  C       0.931069      4.238106      2.762460
  C       0.778350      5.100073      3.874699
  C      -0.432650      5.711785      4.125935
  C      -1.547012      5.478399      3.276944
  C      -7.081801      2.167941      6.447286
  C      -7.933653      0.935971      6.119574
  C      -8.215700      0.682417      4.658568
  N      -8.089903      1.688985      3.801127
  C      -8.408343      1.459794      2.495558
  N      -8.849399      0.342040      1.966012
  C      -8.988726     -0.715431      2.821203
  C      -9.458907     -1.948480      2.310762
  C      -9.608682     -3.030138      3.151815
  C      -9.298170     -2.920834      4.527395
  C      -8.836779     -1.730479      5.051328
  C      -8.669163     -0.598787      4.212664
  H      -4.826394      2.245607      2.048954
  H      -3.287833      1.456777      1.695492
  H      -5.485692      0.266043      3.493506
  H      -3.999502     -0.550722      3.027621
  H      -6.430556      0.649821     -1.476938
  H      -7.481856     -3.772718     -0.829201
  H      -7.180475     -5.388156      1.055872
  H      -6.085337     -4.654839      3.167088
  H      -5.257954     -2.341684      3.412114
  H      -5.215746      6.012546      5.047132
  H      -4.414518      6.618701      6.512195
  H      -3.710344      7.750462      4.366566
  H      -2.353149      7.085423      5.284912
  H      -4.366220      4.820181      0.832150
  H      -0.023612      3.368801      1.026897
  H       1.897194      3.765120      2.578025
  H       1.629488      5.288818      4.530465
  H      -0.525462      6.387518      4.976159
  H      -7.209236      2.398085      7.521311
  H      -7.459097      3.033154      5.889850
  H      -7.485203      0.038971      6.569182
  H      -8.909122      1.053522      6.624903
  H      -8.274062      2.312584      1.822586
  H      -9.685222     -2.008859      1.245974
  H      -9.965512     -3.981783      2.755464
  H      -9.426470     -3.786905      5.178267
  H      -8.612554     -1.662468      6.115897
  N      -6.000301      3.764292      3.826238
  H      -6.906756      3.257853      3.770490
  H      -5.924182      4.531942      3.149213
89
Coordinates from ORCA-job orca E -6086.330599078141
  N      -3.516489      2.107805      3.682461
  Mo     -4.597055      3.130602      4.969115
  N      -5.650090      1.999916      6.172249
  C      -4.968111      1.128433      7.131641
  C      -3.511174      0.937105      6.734152
  N      -2.948292      2.226772      6.267515
  C      -1.773070      2.066703      5.377971
  C      -2.233516      1.512978      4.041776
  C      -2.682574      3.177943      7.372769
  C      -2.714572      4.590480      6.812633
  N      -3.832173      4.688973      5.876860
  H      -1.478223      1.739499      3.268785
  H      -2.319559      0.410931      4.080462
  H      -1.337939      3.063968      5.231363
  H      -1.006216      1.423943      5.843146
  H      -2.848475      5.311249      7.638215
  H      -1.758118      4.846082      6.322159
  H      -3.488336      3.062465      8.109617
  H      -1.724293      2.949041      7.869586
  H      -5.445803      0.134517      7.180886
  H      -5.054145      1.562389      8.147337
  H      -3.452838      0.234685      5.892626
  H      -2.919914      0.522946      7.568736
  C      -4.088657      1.545854      2.451791
  C      -4.745843      0.180921      2.677499
  C      -5.442207     -0.366703      1.459044
  N      -5.640091      0.454010      0.437500
  C      -6.292852     -0.044484     -0.648999
  N      -6.744636     -1.268475     -0.822887
  C      -6.545991     -2.135785      0.214936
  C      -7.002679     -3.471239      0.094788
  C      -6.827485     -4.357968      1.136543
  C      -6.197650     -3.946833      2.334624
  C      -5.736357     -2.653741      2.474558
  C      -5.892559     -1.723193      1.417757
  C      -4.260478      6.054548      5.566089
  C      -3.240310      6.809274      4.680866
  C      -2.858337      5.996372      3.472635
  N      -3.835022      5.730339      2.608483
  C      -3.533513      4.951415      1.535634
  N      -2.382795      4.371887      1.263673
  C      -1.365465      4.617033      2.140419
  C      -0.107153      4.005632      1.915051
  C       0.943780      4.245047      2.775404
  C       0.782937      5.112150      3.882348
  C      -0.432237      5.718389      4.126977
  C      -1.542710      5.473420      3.276200
  C      -7.080951      2.165555      6.452131
  C      -7.932715      0.933594      6.125076
  C      -8.215564      0.681243      4.664080
  N      -8.090414      1.689417      3.808187
  C      -8.411118      1.463510      2.502701
  N      -8.852616      0.346770      1.971512
  C      -8.990164     -0.712620      2.824698
  C      -9.459798     -1.944890      2.312030
  C      -9.607900     -3.028530      3.150847
  C      -9.296335     -2.922071      4.526388
  C      -8.835361     -1.732500      5.052519
  C      -8.669095     -0.599089      4.216132
  H      -4.828861      2.245198      2.050269
  H      -3.289555      1.458319      1.696372
  H      -5.485679      0.264459      3.494697
  H      -4.000670     -0.552179      3.023967
  H      -6.449894      0.663673     -1.468364
  H      -7.490896     -3.763778     -0.835772
  H      -7.179891     -5.386430      1.041434
  H      -6.077371     -4.660181      3.151344
  H      -5.253309     -2.346854      3.403075
  H      -5.219853      6.010058      5.039567
  H      -4.415959      6.623581      6.500025
  H      -3.718133      7.742233      4.345062
  H      -2.359272      7.089629      5.269154
  H      -4.354274      4.776006      0.832746
  H      -0.001346      3.359839      1.042224
  H       1.913185      3.776892      2.596337
  H       1.630988      5.309416      4.539612
  H      -0.530772      6.398259      4.973236
  H      -7.206522      2.395260      7.526413
  H      -7.459680      3.030206      5.894853
  H      -7.485220      0.036199      6.574950
  H      -8.908183      1.051558      6.630401
  H      -8.278259      2.317938      1.831508
  H      -9.686838     -2.003019      1.247277
  H      -9.964369     -3.979659      2.752760
  H      -9.423487     -3.789690      5.175424
  H      -8.609745     -1.666843      6.116976
  N      -6.006544      3.760178      3.830051
  H      -6.911653      3.250502      3.777068
  H      -5.932266      4.526709      3.151554
89
Coordinates from ORCA-job orca E -6086.330604547507
  N      -3.512648      2.107381      3.685377
  Mo     -4.594491      3.131029      4.970480
  N      -5.648353      1.999205      6.171849
  C      -4.967248      1.128435      7.132555
  C      -3.509731      0.937586      6.737236
  N      -2.947139      2.227510      6.270568
  C      -1.770869      2.066945      5.382354
  C      -2.230102      1.512322      4.045937
  C      -2.682491      3.178508      7.376250
  C      -2.714659      4.591188      6.816168
  N      -3.831676      4.689299      5.879525
  H      -1.474037      1.738421      3.273586
  H      -2.316573      0.410351      4.085192
  H      -1.335676      3.064107      5.235214
  H      -1.004614      1.424530      5.848961
  H      -2.849119      5.312115      7.641502
  H      -1.757979      4.846825      6.326213
  H      -3.488757      3.062545      8.112484
  H      -1.724419      2.950254      7.873728
  H      -5.444442      0.134258      7.181543
  H      -5.055277      1.562875      8.147864
  H      -3.449957      0.234654      5.896257
  H      -2.919126      0.524138      7.572594
  C      -4.084383      1.546824      2.453843
  C      -4.740062      0.180825      2.677835
  C      -5.435873     -0.366068      1.458919
  N      -5.629596      0.454025      0.436066
  C      -6.280842     -0.044464     -0.651388
  N      -6.735256     -1.267493     -0.824791
  C      -6.541358     -2.133997      0.214685
  C      -7.001419     -3.468341      0.095288
  C      -6.830942     -4.354046      1.138713
  C      -6.202510     -3.943013      2.337554
  C      -5.737953     -2.651016      2.476662
  C      -5.889472     -1.721475      1.418258
  C      -4.260106      6.054445      5.567501
  C      -3.241335      6.808839      4.680070
  C      -2.862670      5.996233      3.470705
  N      -3.840599      5.731311      2.607684
  C      -3.540770      4.952005      1.534369
  N      -2.390921      4.372107      1.260790
  C      -1.372565      4.616108      2.136440
  C      -0.115220      4.004176      1.908840
  C       0.936696      4.242299      2.768057
  C       0.778013      5.108527      3.875838
  C      -0.436289      5.715522      4.122501
  C      -1.547755      5.472068      3.272781
  C      -7.079854      2.163001      6.451703
  C      -7.930086      0.930403      6.123294
  C      -8.214026      0.678965      4.662315
  N      -8.087560      1.687026      3.806421
  C      -8.408736      1.461755      2.500870
  N      -8.852414      0.345910      1.969825
  C      -8.991743     -0.713251      2.823031
  C      -9.464050     -1.944491      2.310528
  C      -9.613859     -3.027927      3.149335
  C      -9.301364     -2.922297      4.524667
  C      -8.837758     -1.733651      5.050674
  C      -8.669750     -0.600614      4.214277
  H      -4.825512      2.246074      2.053901
  H      -3.285305      1.461910      1.698118
  H      -5.479824      0.262989      3.495252
  H      -3.994049     -0.551706      3.023698
  H      -6.434007      0.663254     -1.471869
  H      -7.488496     -3.760928     -0.835842
  H      -7.186377     -5.381528      1.044466
  H      -6.086052     -4.655545      3.155529
  H      -5.256172     -2.344084      3.405803
  H      -5.220429      6.010211      5.042746
  H      -4.413472      6.624685      6.501103
  H      -3.719828      7.742001      4.345806
  H      -2.358915      7.088950      5.266352
  H      -4.362297      4.777180      0.832431
  H      -0.011280      3.358770      1.035519
  H       1.905202      3.773750      2.587316
  H       1.627008      5.304440      4.532287
  H      -0.532982      6.394648      4.969544
  H      -7.204859      2.391607      7.526225
  H      -7.459867      3.027410      5.894968
  H      -7.480922      0.033068      6.571719
  H      -8.905515      1.045847      6.629286
  H      -8.274633      2.315864      1.829581
  H      -9.691597     -2.002053      1.245860
  H      -9.972401     -3.978342      2.751353
  H      -9.429827     -3.789777      5.173621
  H      -8.611273     -1.668527      6.114968
  N      -6.002800      3.763724      3.832074
  H      -6.907167      3.252808      3.776802
  H      -5.928222      4.533751      3.157298
89
Coordinates from ORCA-job orca E -6086.330608328261
  N      -3.511967      2.105417      3.686129
  Mo     -4.593925      3.130198      4.970696
  N      -5.646589      1.997360      6.171691
  C      -4.965071      1.128264      7.133631
  C      -3.507437      0.938169      6.738556
  N      -2.946078      2.228409      6.270848
  C      -1.769827      2.067943      5.382455
  C      -2.229093      1.511361      4.046817
  C      -2.681411      3.179763      7.376190
  C      -2.715148      4.592320      6.815849
  N      -3.832696      4.689537      5.879658
  H      -1.473312      1.736871      3.274003
  H      -2.315022      0.409407      4.087576
  H      -1.335741      3.065377      5.233858
  H      -1.002918      1.426819      5.849730
  H      -2.849665      5.313358      7.641083
  H      -1.758828      4.848473      6.325453
  H      -3.486951      3.063084      8.113109
  H      -1.722682      2.952584      7.872860
  H      -5.441675      0.133860      7.183835
  H      -5.053660      1.564057      8.148309
  H      -3.447097      0.234634      5.898120
  H      -2.916305      0.525900      7.574094
  C      -4.083915      1.544501      2.454822
  C      -4.736729      0.176960      2.678074
  C      -5.434564     -0.368723      1.459724
  N      -5.627082      0.451325      0.436577
  C      -6.279390     -0.046565     -0.650607
  N      -6.735859     -1.268829     -0.823501
  C      -6.543540     -2.135228      0.216420
  C      -7.006157     -3.468724      0.097685
  C      -6.837255     -4.354193      1.141574
  C      -6.207880     -3.943783      2.340126
  C      -5.740808     -2.652613      2.478529
  C      -5.890797     -1.723297      1.419702
  C      -4.261257      6.054686      5.568031
  C      -3.243251      6.809237      4.679679
  C      -2.863899      5.996090      3.470972
  N      -3.841844      5.728753      2.608849
  C      -3.541495      4.948561      1.536290
  N      -2.390726      4.370714      1.262402
  C      -1.372069      4.617401      2.137123
  C      -0.113722      4.007668      1.909014
  C       0.938342      4.248335      2.767398
  C       0.778561      5.114591      3.874927
  C      -0.436767      5.719370      4.122061
  C      -1.548190      5.473728      3.273002
  C      -7.078392      2.160253      6.451232
  C      -7.926931      0.926868      6.121829
  C      -8.211830      0.677675      4.660685
  N      -8.083907      1.686199      3.805691
  C      -8.404911      1.462312      2.499838
  N      -8.850175      0.347584      1.967873
  C      -8.991662     -0.711920      2.820317
  C      -9.466359     -1.941857      2.306969
  C      -9.618495     -3.025518      3.145087
  C      -9.305902     -2.921446      4.520482
  C      -8.839919     -1.734051      5.047290
  C      -8.669691     -0.600852      4.211634
  H      -4.827169      2.242495      2.056681
  H      -3.285590      1.462547      1.698011
  H      -5.474588      0.256589      3.497455
  H      -3.988786     -0.555081      3.020871
  H      -6.431096      0.661200     -1.471321
  H      -7.493794     -3.760995     -0.833241
  H      -7.194720     -5.381024      1.047900
  H      -6.092644     -4.656185      3.158386
  H      -5.257993     -2.346171      3.407297
  H      -5.222324      6.010983      5.044694
  H      -4.412987      6.624952      6.501896
  H      -3.722799      7.741609      4.344694
  H      -2.361234      7.090942      5.265778
  H      -4.363381      4.771609      0.835290
  H      -0.009330      3.361937      1.035997
  H       1.907755      3.781727      2.586171
  H       1.627528      5.312206      4.530897
  H      -0.534179      6.398190      4.969247
  H      -7.203644      2.388576      7.525737
  H      -7.458937      3.024325      5.894334
  H      -7.475419      0.029295      6.567552
  H      -8.901894      1.039090      6.629411
  H      -8.269148      2.316582      1.829119
  H      -9.693893     -1.998263      1.242234
  H      -9.978942     -3.974935      2.746472
  H      -9.436213     -3.789083      5.168850
  H      -8.613395     -1.670027      6.111629
  N      -6.002070      3.764583      3.832892
  H      -6.906730      3.254263      3.777758
  H      -5.926459      4.534845      3.158468
89
Coordinates from ORCA-job orca E -6086.330610946584
  N      -3.511924      2.103616      3.687606
  Mo     -4.593644      3.129500      4.971855
  N      -5.645473      1.995746      6.172432
  C      -4.963640      1.127600      7.135041
  C      -3.505927      0.938066      6.740117
  N      -2.945525      2.228568      6.271819
  C      -1.769342      2.068636      5.383110
  C      -2.228619      1.510735      4.048020
  C      -2.680661      3.179954      7.377054
  C      -2.715552      4.592505      6.816860
  N      -3.833565      4.689636      5.881070
  H      -1.473258      1.736080      3.274729
  H      -2.313704      0.408740      4.089804
  H      -1.336621      3.066521      5.233496
  H      -1.001624      1.428767      5.850730
  H      -2.849990      5.313401      7.642227
  H      -1.759492      4.849069      6.326186
  H      -3.485484      3.062667      8.114667
  H      -1.721340      2.953407      7.872850
  H      -5.439941      0.133085      7.185822
  H      -5.052583      1.564078      8.149388
  H      -3.445135      0.234138      5.900048
  H      -2.914364      0.526795      7.575816
  C      -4.084043      1.542650      2.456393
  C      -4.733230      0.173224      2.678450
  C      -5.431811     -0.371896      1.460181
  N      -5.621874      0.447277      0.435865
  C      -6.274172     -0.050745     -0.651339
  N      -6.732574     -1.272379     -0.823285
  C      -6.542671     -2.137965      0.217781
  C      -7.007120     -3.470900      0.100055
  C      -6.840596     -4.355420      1.145137
  C      -6.212075     -3.944538      2.343979
  C      -5.743285     -2.653889      2.481429
  C      -5.890682     -1.725629      1.421323
  C      -4.261510      6.055190      5.570663
  C      -3.244441      6.809342      4.680642
  C      -2.865803      5.996065      3.471773
  N      -3.844529      5.728571      2.610704
  C      -3.545131      4.948680      1.537634
  N      -2.394172      4.372028      1.261935
  C      -1.374416      4.619104      2.135440
  C      -0.115520      4.011113      1.904864
  C       0.937627      4.252440      2.761891
  C       0.778115      5.117228      3.870549
  C      -0.437672      5.720310      4.119969
  C      -1.549949      5.474391      3.272187
  C      -7.077465      2.158030      6.451799
  C      -7.924759      0.924357      6.120786
  C      -8.209734      0.677481      4.659261
  N      -8.079182      1.686307      3.805205
  C      -8.398703      1.463678      2.498746
  N      -8.845083      0.350031      1.965493
  C      -8.990159     -0.709570      2.817213
  C      -9.466997     -1.938171      2.302659
  C      -9.622901     -3.021808      3.140131
  C      -9.311995     -2.919050      4.516002
  C      -8.843837     -1.732972      5.043927
  C      -8.669801     -0.599875      4.208940
  H      -4.830179      2.238956      2.060638
  H      -3.286709      1.464611      1.698177
  H      -5.469812      0.249781      3.499199
  H      -3.983173     -0.557987      3.018515
  H      -6.423973      0.656563     -1.472791
  H      -7.494129     -3.763635     -0.831048
  H      -7.199305     -5.381873      1.052198
  H      -6.098692     -4.656209      3.163131
  H      -5.261001     -2.347024      3.410338
  H      -5.223728      6.012560      5.049437
  H      -4.410658      6.625325      6.505017
  H      -3.724692      7.741330      4.345596
  H      -2.362122      7.091834      5.265924
  H      -4.368094      4.771392      0.837934
  H      -0.011725      3.366379      1.031054
  H       1.907657      3.787509      2.578680
  H       1.627708      5.315251      4.525584
  H      -0.534546      6.397825      4.968244
  H      -7.203014      2.385278      7.526471
  H      -7.458239      3.022366      5.895461
  H      -7.472183      0.026224      6.564412
  H      -8.899652      1.034235      6.629027
  H      -8.260063      2.317918      1.828621
  H      -9.693291     -1.993589      1.237612
  H      -9.985113     -3.970179      2.740615
  H      -9.445481     -3.786583      5.163857
  H      -8.618789     -1.669809      6.108619
  N      -6.001470      3.766826      3.835204
  H      -6.906569      3.257509      3.780304
  H      -5.925044      4.538372      3.162350
89
Coordinates from ORCA-job orca E -6086.330611486713
  N      -3.512512      2.103287      3.687851
  Mo     -4.593703      3.129617      4.972153
  N      -5.645593      1.996233      6.173085
  C      -4.963785      1.127770      7.135424
  C      -3.506132      0.937995      6.740314
  N      -2.945581      2.228333      6.271885
  C      -1.769585      2.068379      5.382933
  C      -2.229154      1.510458      4.047961
  C      -2.680456      3.179777      7.377016
  C      -2.715203      4.592327      6.816857
  N      -3.833328      4.689783      5.881180
  H      -1.473972      1.735664      3.274450
  H      -2.314184      0.408454      4.089850
  H      -1.337066      3.066332      5.233198
  H      -1.001685      1.428631      5.850412
  H      -2.849523      5.313147      7.642307
  H      -1.759142      4.848854      6.326164
  H      -3.485180      3.062648      8.114761
  H      -1.721103      2.953086      7.872693
  H      -5.440338      0.133362      7.185963
  H      -5.052509      1.563975      8.149906
  H      -3.445543      0.233997      5.900298
  H      -2.914528      0.526827      7.576035
  C      -4.084899      1.542315      2.456771
  C      -4.732732      0.172204      2.678472
  C      -5.431608     -0.372762      1.460262
  N      -5.621587      0.446349      0.435901
  C      -6.274203     -0.051544     -0.651162
  N      -6.732728     -1.273151     -0.823043
  C      -6.542690     -2.138759      0.217958
  C      -7.007116     -3.471709      0.100265
  C      -6.840470     -4.356276      1.145281
  C      -6.211853     -3.945409      2.344085
  C      -5.743128     -2.654729      2.481547
  C      -5.890645     -1.726448      1.421491
  C      -4.261262      6.055425      5.571219
  C      -3.244726      6.809575      4.680564
  C      -2.866175      5.995970      3.471879
  N      -3.845075      5.728164      2.611091
  C      -3.545899      4.947905      1.538220
  N      -2.394876      4.371470      1.262286
  C      -1.374902      4.618946      2.135414
  C      -0.115895      4.011219      1.904582
  C       0.937449      4.252910      2.761286
  C       0.777962      5.117727      3.869922
  C      -0.437950      5.720487      4.119614
  C      -1.550364      5.474268      3.272133
  C      -7.077585      2.158320      6.452269
  C      -7.924576      0.924523      6.120964
  C      -8.209497      0.678083      4.659330
  N      -8.078511      1.687053      3.805536
  C      -8.397538      1.464698      2.498914
  N      -8.843783      0.351176      1.965257
  C      -8.989402     -0.708540      2.816739
  C      -9.466025     -1.937055      2.301728
  C      -9.622332     -3.020831      3.138939
  C      -9.312165     -2.918277      4.515005
  C      -8.844248     -1.732305      5.043356
  C      -8.669683     -0.599083      4.208624
  H      -4.832130      2.237940      2.061839
  H      -3.288057      1.465497      1.697925
  H      -5.468867      0.247563      3.499712
  H      -3.981912     -0.558767      3.017405
  H      -6.424071      0.655754     -1.472602
  H      -7.494217     -3.764399     -0.830803
  H      -7.199079     -5.382765      1.052311
  H      -6.098343     -4.657088      3.163209
  H      -5.260777     -2.347902      3.410437
  H      -5.223783      6.012789      5.050549
  H      -4.409935      6.625490      6.505674
  H      -3.725454      7.741201      4.345220
  H      -2.362304      7.092687      5.265403
  H      -4.369039      4.770358      0.838797
  H      -0.012138      3.366463      1.030786
  H       1.907567      3.788234      2.577856
  H       1.627636      5.316088      4.524747
  H      -0.534712      6.398014      4.967884
  H      -7.203391      2.385322      7.526974
  H      -7.458387      3.022744      5.896096
  H      -7.471895      0.026298      6.564315
  H      -8.899509      1.033978      6.629224
  H      -8.258432      2.319053      1.829023
  H      -9.691828     -1.992312      1.236570
  H      -9.984299     -3.969134      2.739073
  H      -9.446045     -3.785896      5.162661
  H      -8.619790     -1.669301      6.108181
  N      -6.001236      3.767871      3.835761
  H      -6.906691      3.259244      3.781054
  H      -5.924002      4.539292      3.162835
