98
Coordinates from ORCA-job orca E -6258.349713387105
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
  N      -1.594042      3.514072      2.445842
  H      -0.608663      3.579323      2.724133
98
Coordinates from ORCA-job orca E -6258.372398132442
  N      -2.925056      1.404858      5.186535
  Mo     -3.619260      3.333553      5.142493
  N      -4.491599      3.037766      6.885924
  C      -3.625079      3.106131      8.055474
  C      -2.244011      2.551308      7.696260
  N      -1.762859      3.179312      6.441022
  C      -0.782094      2.317387      5.744456
  C      -1.519885      1.181464      4.986202
  C      -1.206911      4.526295      6.701745
  C      -1.716747      5.474065      5.603305
  N      -3.136526      5.221076      5.457503
  H      -1.251987      1.210438      3.912029
  H      -1.219474      0.192456      5.374022
  H      -0.245953      2.939141      5.018484
  H      -0.052906      1.916441      6.466470
  H      -1.500827      6.515753      5.881856
  H      -1.190961      5.261620      4.657790
  H      -1.590000      4.884507      7.665147
  H      -0.108427      4.504062      6.746606
  H      -4.029083      2.509004      8.890632
  H      -3.536867      4.151841      8.414190
  H      -2.349381      1.477339      7.513019
  H      -1.523585      2.711887      8.515403
  C      -3.904747      1.096455      4.222153
  C      -4.862125     -0.061186      4.549705
  C      -6.280733      0.181393      3.984847
  C      -6.253677      0.594122      2.537366
  N      -6.193104      1.913397      2.304916
  C      -6.130137      2.315435      1.020231
  N      -6.142160      1.563504     -0.058631
  C      -6.210748      0.212272      0.141986
  C      -6.223191     -0.649450     -0.972945
  C      -6.273633     -2.019249     -0.791067
  C      -6.310156     -2.565205      0.504455
  C      -6.302436     -1.745504      1.615326
  C      -6.258742     -0.338019      1.465486
  C      -4.001580      6.306840      5.869191
  C      -3.919472      7.542026      4.952810
  C      -4.181121      7.209144      3.480773
  C      -5.590271      6.775965      3.162660
  N      -6.519069      6.866043      4.119227
  C      -7.745217      6.393087      3.841538
  N      -8.166141      5.837889      2.723469
  C      -7.269273      5.811448      1.693225
  C      -7.677032      5.315149      0.438205
  C      -6.791923      5.305305     -0.624346
  C      -5.476810      5.773584     -0.460047
  C      -5.046571      6.253349      0.762555
  C      -5.930843      6.290824      1.864854
  C      -5.869330      2.721873      7.184950
  C      -6.735673      3.938834      7.571327
  C      -8.231160      3.608568      7.603387
  C      -8.865660      3.336179      6.259494
  N      -8.116318      3.420301      5.171740
  C      -8.684285      3.143211      3.973371
  N      -9.919868      2.756181      3.758888
  C     -10.735512      2.690091      4.850795
  C     -12.088818      2.319382      4.680345
  C     -12.930511      2.256658      5.769032
  C     -12.454229      2.556706      7.061899
  C     -11.138470      2.913863      7.258995
  C     -10.247470      2.988652      6.161764
  H      -3.518572      0.995406      3.188855
  H      -4.586217      2.028255      4.280921
  H      -4.923301     -0.170148      5.640648
  H      -4.450348     -0.989021      4.130420
  H      -6.887840     -0.722902      4.114382
  H      -6.758277      0.994149      4.547181
  H      -6.066299      3.394812      0.866310
  H      -6.189878     -0.202149     -1.963838
  H      -6.284129     -2.681038     -1.654992
  H      -6.346224     -3.645633      0.632141
  H      -6.331533     -2.180446      2.612269
  H      -5.036902      5.948719      5.854730
  H      -3.765738      6.629112      6.903806
  H      -2.923281      7.998075      5.029334
  H      -4.659624      8.272955      5.301211
  H      -3.947254      8.090406      2.862762
  H      -3.491562      6.408506      3.169867
  H      -8.477839      6.471095      4.649993
  H      -8.698094      4.953493      0.336447
  H      -7.112925      4.925788     -1.592266
  H      -4.790248      5.754750     -1.304227
  H      -4.026231      6.612914      0.877058
  H      -5.929036      1.981658      8.009040
  H      -6.320489      2.270418      6.292357
  H      -6.434026      4.299794      8.564030
  H      -6.553088      4.743156      6.848215
  H      -8.398624      2.729916      8.245804
  H      -8.774392      4.447842      8.063276
  H      -8.027071      3.225975      3.109881
  H     -12.431381      2.098481      3.671687
  H     -13.973474      1.976165      5.633684
  H     -13.135279      2.504508      7.909282
  H     -10.778756      3.145817      8.259183
  N      -2.421936      3.499953      3.437131
  N      -1.708300      3.603965      2.433607
  H      -0.688137      3.617045      2.672735
98
Coordinates from ORCA-job orca E -6258.385131230596
  N      -2.895810      1.358927      5.197165
  Mo     -3.592747      3.294283      5.150234
  N      -4.458914      3.016691      6.910630
  C      -3.574413      3.094103      8.079080
  C      -2.199013      2.530130      7.716402
  N      -1.719044      3.149842      6.442183
  C      -0.744027      2.278380      5.732777
  C      -1.489117      1.139589      4.982032
  C      -1.159728      4.508111      6.684707
  C      -1.674183      5.454175      5.583419
  N      -3.095465      5.198855      5.456318
  H      -1.226415      1.167685      3.905885
  H      -1.182936      0.150241      5.370627
  H      -0.214218      2.903398      5.000916
  H      -0.005232      1.883951      6.452449
  H      -1.455932      6.498822      5.861908
  H      -1.149336      5.245309      4.633366
  H      -1.537900      4.868196      7.652038
  H      -0.057823      4.479674      6.725921
  H      -3.976415      2.505201      8.923872
  H      -3.475746      4.143451      8.433122
  H      -2.304944      1.453273      7.540107
  H      -1.467835      2.696361      8.529653
  C      -3.898439      1.045478      4.237504
  C      -4.853556     -0.111622      4.590081
  C      -6.283837      0.101972      4.040563
  C      -6.262353      0.480870      2.585206
  N      -6.208682      1.788496      2.314787
  C      -6.129850      2.151869      1.008821
  N      -6.129009      1.361084     -0.055271
  C      -6.196032      0.016141      0.194489
  C      -6.195107     -0.892329     -0.892271
  C      -6.240041     -2.257751     -0.660126
  C      -6.284333     -2.759554      0.660961
  C      -6.289746     -1.894672      1.742505
  C      -6.252782     -0.489171      1.538494
  C      -3.984352      6.262062      5.895208
  C      -3.945733      7.513688      5.000559
  C      -4.244096      7.246807      3.520678
  C      -5.663292      6.833742      3.207630
  N      -6.568445      6.861454      4.185747
  C      -7.821778      6.423043      3.898690
  N      -8.278594      5.967399      2.743205
  C      -7.397848      6.014371      1.695777
  C      -7.841834      5.640029      0.403163
  C      -6.976949      5.709265     -0.676165
  C      -5.640561      6.135298     -0.497645
  C      -5.176821      6.496099      0.756930
  C      -6.042527      6.452119      1.880011
  C      -5.846618      2.707776      7.197826
  C      -6.707617      3.928645      7.576529
  C      -8.204361      3.608309      7.578495
  C      -8.804463      3.367355      6.210669
  N      -8.022396      3.484037      5.147854
  C      -8.561585      3.243560      3.917654
  N      -9.801055      2.863778      3.654017
  C     -10.643115      2.764979      4.728864
  C     -11.997619      2.400641      4.514805
  C     -12.869200      2.306488      5.583270
  C     -12.423507      2.568414      6.902076
  C     -11.107260      2.918703      7.140450
  C     -10.188260      3.023729      6.063945
  H      -3.528654      0.947669      3.202086
  H      -4.603576      1.976004      4.290931
  H      -4.896797     -0.206396      5.686096
  H      -4.435562     -1.043624      4.176166
  H      -6.879363     -0.810335      4.196381
  H      -6.767666      0.921276      4.591058
  H      -6.063828      3.226572      0.823355
  H      -6.155060     -0.480608     -1.904287
  H      -6.239803     -2.954490     -1.503476
  H      -6.316038     -3.839995      0.829288
  H      -6.325138     -2.293931      2.759702
  H      -5.016473      5.884514      5.902471
  H      -3.736361      6.570284      6.934364
  H      -2.949781      7.981963      5.071523
  H      -4.686783      8.228316      5.393060
  H      -4.028765      8.164284      2.941979
  H      -3.558571      6.467706      3.144843
  H      -8.536067      6.443944      4.731858
  H      -8.876870      5.307228      0.290724
  H      -7.325814      5.422163     -1.671898
  H      -4.967090      6.177932     -1.358115
  H      -4.142770      6.826511      0.881919
  H      -5.922138      1.962531      8.021162
  H      -6.288790      2.259570      6.294666
  H      -6.417219      4.282555      8.580214
  H      -6.507156      4.739631      6.860824
  H      -8.393919      2.718756      8.207722
  H      -8.759917      4.442533      8.042606
  H      -7.869856      3.359418      3.073188
  H     -12.318238      2.209530      3.487166
  H     -13.913973      2.030545      5.412789
  H     -13.128134      2.492146      7.735260
  H     -10.770433      3.121111      8.160612
  N      -2.517719      3.474249      3.441349
  N      -1.857967      3.585853      2.419752
  H      -0.810868      3.571952      2.595290
98
Coordinates from ORCA-job orca E -6258.397409482796
  N      -2.925687      1.383229      5.174407
  Mo     -3.595836      3.333837      5.139300
  N      -4.479406      3.061762      6.907839
  C      -3.593092      3.131977      8.079527
  C      -2.226659      2.546873      7.722888
  N      -1.726344      3.161760      6.448134
  C      -0.763428      2.278390      5.729245
  C      -1.519210      1.155600      4.961040
  C      -1.148367      4.515304      6.696711
  C      -1.640059      5.475510      5.596423
  N      -3.059776      5.244652      5.464817
  H      -1.246114      1.195091      3.887322
  H      -1.223993      0.158720      5.339648
  H      -0.223909      2.909226      5.008304
  H      -0.030615      1.871645      6.448299
  H      -1.406744      6.515579      5.884234
  H      -1.107870      5.267346      4.648268
  H      -1.527467      4.872483      7.664967
  H      -0.046697      4.462264      6.747980
  H      -4.007045      2.546678      8.922105
  H      -3.480993      4.178113      8.439212
  H      -2.343383      1.471742      7.540734
  H      -1.493452      2.701977      8.537249
  C      -3.935058      1.094277      4.199989
  C      -4.905964     -0.052760      4.537148
  C      -6.329379      0.176941      3.977279
  C      -6.285089      0.569275      2.525299
  N      -6.224068      1.874014      2.261033
  C      -6.119646      2.243886      0.953719
  N      -6.101903      1.456583     -0.116701
  C      -6.177411      0.112047      0.132032
  C      -6.160716     -0.797470     -0.957696
  C      -6.213777     -2.162657     -0.729450
  C      -6.283178     -2.669534      0.591921
  C      -6.304821     -1.804966      1.674182
  C      -6.259589     -0.398461      1.471866
  C      -3.957659      6.298832      5.907914
  C      -3.906967      7.532919      4.995963
  C      -4.181340      7.218849      3.524298
  C      -5.595294      6.799214      3.205492
  N      -6.515062      6.884488      4.160329
  C      -7.776387      6.451869      3.865145
  N      -8.216352      5.948208      2.722501
  C      -7.307350      5.923836      1.697639
  C      -7.724410      5.479786      0.415068
  C      -6.831570      5.471531     -0.642191
  C      -5.490052      5.889366     -0.454242
  C      -5.054559      6.317079      0.789232
  C      -5.951128      6.350042      1.889911
  C      -5.870348      2.753907      7.190389
  C      -6.739497      3.967941      7.562628
  C      -8.230921      3.627175      7.587225
  C      -8.854053      3.354809      6.235508
  N      -8.098385      3.468846      5.153839
  C      -8.667594      3.193477      3.939967
  N      -9.907400      2.785226      3.709811
  C     -10.717290      2.689653      4.810146
  C     -12.070761      2.294235      4.638547
  C     -12.913357      2.201317      5.731326
  C     -12.439137      2.495315      7.035561
  C     -11.122796      2.876274      7.231475
  C     -10.235248      2.980626      6.127935
  H      -3.564864      1.012532      3.165137
  H      -4.652762      2.026842      4.249024
  H      -4.954976     -0.157193      5.632417
  H      -4.490495     -0.984870      4.118006
  H      -6.931814     -0.732862      4.122006
  H      -6.813912      0.994514      4.530431
  H      -6.047541      3.320114      0.775114
  H      -6.101709     -0.384451     -1.969025
  H      -6.200868     -2.857952     -1.574633
  H      -6.321530     -3.750652      0.757060
  H      -6.359773     -2.205924      2.690124
  H      -4.989628      5.918268      5.908361
  H      -3.725274      6.609045      6.951262
  H      -2.910227      8.001498      5.070819
  H      -4.651087      8.260879      5.361917
  H      -3.952431      8.111154      2.910660
  H      -3.492253      6.424256      3.187961
  H      -8.505158      6.523012      4.681534
  H      -8.761862      5.155080      0.295785
  H      -7.158825      5.129940     -1.628752
  H      -4.793442      5.869818     -1.297607
  H      -4.017787      6.636203      0.923707
  H      -5.942174      2.010384      8.017218
  H      -6.307943      2.296983      6.287858
  H      -6.445943      4.336495      8.561221
  H      -6.552619      4.774622      6.837950
  H      -8.399846      2.744616      8.233820
  H      -8.796624      4.455392      8.052180
  H      -7.995711      3.306580      3.080328
  H     -12.414937      2.078110      3.622878
  H     -13.956772      1.901306      5.592599
  H     -13.119988      2.419496      7.888912
  H     -10.763791      3.102712      8.239432
  N      -2.623972      3.537102      3.462022
  N      -1.999135      3.657873      2.423675
  H      -0.944675      3.591932      2.541334
98
Coordinates from ORCA-job orca E -6258.406493540677
  N      -2.947682      1.397385      5.159575
  Mo     -3.593252      3.359373      5.124762
  N      -4.491345      3.097584      6.906821
  C      -3.606865      3.169445      8.075430
  C      -2.247238      2.567686      7.721173
  N      -1.731470      3.172574      6.447841
  C      -0.780594      2.280567      5.724203
  C      -1.542222      1.168096      4.945872
  C      -1.139260      4.519124      6.699122
  C      -1.617195      5.487374      5.601806
  N      -3.031811      5.277132      5.467090
  H      -1.260935      1.215298      3.874291
  H      -1.251398      0.168008      5.318017
  H      -0.235503      2.915321      5.011793
  H      -0.051584      1.865169      6.441168
  H      -1.371970      6.522896      5.896554
  H      -1.079909      5.279068      4.655246
  H      -1.517705      4.875881      7.666870
  H      -0.039384      4.445226      6.758285
  H      -4.026481      2.588958      8.918879
  H      -3.485907      4.213403      8.436399
  H      -2.372198      1.494059      7.537619
  H      -1.511135      2.717036      8.532921
  C      -3.955558      1.124806      4.176130
  C      -4.931488     -0.018338      4.505920
  C      -6.352637      0.209619      3.937905
  C      -6.309148      0.600969      2.485061
  N      -6.256766      1.904096      2.217741
  C      -6.141732      2.273971      0.912139
  N      -6.109491      1.487421     -0.154018
  C      -6.179254      0.143721      0.096900
  C      -6.148213     -0.765811     -0.991607
  C      -6.193896     -2.128417     -0.763872
  C      -6.270644     -2.636354      0.555832
  C      -6.306581     -1.772725      1.635556
  C      -6.268915     -0.367971      1.432565
  C      -3.936533      6.314454      5.923698
  C      -3.887054      7.545316      5.008907
  C      -4.148281      7.195511      3.545110
  C      -5.556423      6.766132      3.219199
  N      -6.491679      6.878299      4.154447
  C      -7.751492      6.456398      3.840764
  N      -8.174852      5.943990      2.699888
  C      -7.244698      5.883397      1.696091
  C      -7.641638      5.420836      0.414844
  C      -6.727796      5.375308     -0.620733
  C      -5.384134      5.772641     -0.412543
  C      -4.969983      6.218435      0.829794
  C      -5.889579      6.288937      1.907423
  C      -5.879063      2.787582      7.189327
  C      -6.757026      3.997529      7.548883
  C      -8.245162      3.644469      7.584046
  C      -8.882477      3.350015      6.244086
  N      -8.146602      3.463508      5.149329
  C      -8.734432      3.168418      3.950105
  N      -9.969504      2.745029      3.743526
  C     -10.758010      2.648813      4.858234
  C     -12.107610      2.234629      4.713181
  C     -12.929482      2.140458      5.819199
  C     -12.438327      2.451770      7.111417
  C     -11.125466      2.851326      7.280953
  C     -10.259516      2.957048      6.162709
  H      -3.583132      1.054850      3.140538
  H      -4.684877      2.053500      4.213633
  H      -4.984587     -0.124835      5.599867
  H      -4.511951     -0.949832      4.090722
  H      -6.951545     -0.700596      4.084783
  H      -6.840491      1.026647      4.488597
  H      -6.074234      3.350631      0.733859
  H      -6.083814     -0.353509     -2.001384
  H      -6.169566     -2.822925     -1.607580
  H      -6.303396     -3.716232      0.719663
  H      -6.367523     -2.173342      2.649583
  H      -4.963945      5.923709      5.918674
  H      -3.718953      6.620410      6.971901
  H      -2.893607      8.019138      5.083513
  H      -4.630898      8.278797      5.361929
  H      -3.912666      8.066997      2.906144
  H      -3.453820      6.394172      3.238205
  H      -8.492123      6.549254      4.642298
  H      -8.680580      5.111173      0.280721
  H      -7.037993      5.017763     -1.605687
  H      -4.670762      5.721165     -1.238400
  H      -3.931859      6.519911      0.982178
  H      -5.946430      2.048653      8.020267
  H      -6.312761      2.320228      6.290369
  H      -6.466200      4.381252      8.541440
  H      -6.576273      4.796950      6.815611
  H      -8.403855      2.769176      8.241463
  H      -8.816325      4.468627      8.047857
  H      -8.078100      3.278834      3.081162
  H     -12.466116      2.004981      3.706975
  H     -13.969600      1.825908      5.700738
  H     -13.102673      2.374616      7.975586
  H     -10.753575      3.090583      8.279588
  N      -2.718481      3.581951      3.478351
  N      -2.124819      3.714914      2.408455
  H      -1.082292      3.593194      2.471929
98
Coordinates from ORCA-job orca E -6258.412436639704
  N      -2.970012      1.386712      5.163104
  Mo     -3.587246      3.359683      5.113215
  N      -4.489542      3.120184      6.914143
  C      -3.603432      3.199643      8.073818
  C      -2.252459      2.578498      7.716117
  N      -1.729753      3.165183      6.438662
  C      -0.794428      2.259662      5.714831
  C      -1.567028      1.152441      4.942120
  C      -1.120517      4.504104      6.682889
  C      -1.593441      5.473982      5.588511
  N      -3.006002      5.282523      5.459515
  H      -1.285495      1.196455      3.870264
  H      -1.278632      0.152418      5.315205
  H      -0.245958      2.889809      5.002061
  H      -0.066111      1.839170      6.428927
  H      -1.334263      6.506341      5.882979
  H      -1.058991      5.260396      4.640794
  H      -1.491994      4.866922      7.650461
  H      -0.022382      4.411042      6.742917
  H      -4.022286      2.628934      8.924706
  H      -3.470794      4.243921      8.428961
  H      -2.389248      1.505417      7.539657
  H      -1.508684      2.726047      8.520297
  C      -3.975359      1.120926      4.180461
  C      -4.953446     -0.017481      4.520734
  C      -6.373717      0.196481      3.947877
  C      -6.335801      0.554178      2.487127
  N      -6.291191      1.850497      2.189710
  C      -6.170557      2.190828      0.878665
  N      -6.127898      1.382566     -0.165407
  C      -6.192600      0.044902      0.113820
  C      -6.151903     -0.886179     -0.954364
  C      -6.191257     -2.241787     -0.697656
  C      -6.271793     -2.721750      0.631120
  C      -6.317585     -1.836839      1.690676
  C      -6.286041     -0.438144      1.457664
  C      -3.906974      6.308679      5.937352
  C      -3.874408      7.556979      5.041776
  C      -4.143918      7.231253      3.574426
  C      -5.551569      6.809353      3.242601
  N      -6.487524      6.898717      4.180567
  C      -7.747673      6.501347      3.849872
  N      -8.174951      6.039627      2.691269
  C      -7.243806      5.997910      1.687884
  C      -7.645621      5.589724      0.390674
  C      -6.730246      5.565045     -0.642995
  C      -5.381085      5.926763     -0.416450
  C      -4.962833      6.319961      0.841906
  C      -5.884551      6.371472      1.916826
  C      -5.871765      2.804308      7.197166
  C      -6.759150      4.010804      7.546579
  C      -8.243431      3.646067      7.578310
  C      -8.870054      3.350423      6.234702
  N      -8.131689      3.491261      5.144315
  C      -8.707592      3.203283      3.940603
  N      -9.930826      2.763361      3.722907
  C     -10.723282      2.634179      4.831638
  C     -12.062572      2.196627      4.673156
  C     -12.887639      2.070779      5.772160
  C     -12.410333      2.372723      7.069738
  C     -11.107788      2.794913      7.252452
  C     -10.238360      2.933035      6.141758
  H      -3.603763      1.050087      3.143326
  H      -4.708490      2.047168      4.201410
  H      -5.007037     -0.108909      5.615147
  H      -4.532005     -0.954965      4.122596
  H      -6.969073     -0.711547      4.115662
  H      -6.861826      1.024107      4.482243
  H      -6.106496      3.262960      0.677128
  H      -6.084908     -0.495542     -1.971352
  H      -6.159130     -2.953661     -1.525119
  H      -6.299783     -3.797038      0.816813
  H      -6.381826     -2.215555      2.711760
  H      -4.930740      5.910048      5.935989
  H      -3.689495      6.603055      6.989591
  H      -2.883906      8.034706      5.116067
  H      -4.614452      8.283475      5.414037
  H      -3.910547      8.110988      2.947643
  H      -3.449991      6.436341      3.250819
  H      -8.486247      6.572248      4.654828
  H      -8.688831      5.304240      0.243112
  H      -7.042981      5.248599     -1.640729
  H      -4.666983      5.888738     -1.240722
  H      -3.920249      6.593434      1.009513
  H      -5.938794      2.068506      8.030244
  H      -6.300336      2.328754      6.299703
  H      -6.473273      4.403633      8.535812
  H      -6.583252      4.806871      6.809487
  H      -8.398212      2.769664      8.233519
  H      -8.824958      4.461412      8.043096
  H      -8.050898      3.341284      3.076950
  H     -12.411104      1.974790      3.663033
  H     -13.919791      1.738166      5.643705
  H     -13.077281      2.270273      7.927943
  H     -10.746845      3.026145      8.255610
  N      -2.788502      3.588025      3.468304
  N      -2.229517      3.727890      2.365611
  H      -1.204997      3.533949      2.384873
98
Coordinates from ORCA-job orca E -6258.416774620602
  N      -2.999666      1.383914      5.165360
  Mo     -3.577953      3.369950      5.092411
  N      -4.504199      3.155625      6.895665
  C      -3.626292      3.235157      8.056987
  C      -2.283214      2.586137      7.711008
  N      -1.739150      3.154966      6.434744
  C      -0.814390      2.230779      5.723826
  C      -1.598299      1.133168      4.951547
  C      -1.106400      4.483318      6.678431
  C      -1.560478      5.458065      5.582356
  N      -2.974299      5.289208      5.449057
  H      -1.308900      1.170299      3.881521
  H      -1.323399      0.131040      5.329045
  H      -0.250426      2.849647      5.013779
  H      -0.097348      1.801210      6.443963
  H      -1.284937      6.486836      5.876312
  H      -1.025472      5.235280      4.637032
  H      -1.476272      4.854839      7.642990
  H      -0.010014      4.367991      6.746396
  H      -4.056574      2.677679      8.911696
  H      -3.478121      4.279874      8.405834
  H      -2.438618      1.514290      7.540933
  H      -1.540209      2.726000      8.516901
  C      -3.990808      1.130154      4.170842
  C      -4.985067      0.003184      4.500092
  C      -6.383598      0.229744      3.885945
  C      -6.300206      0.562962      2.421424
  N      -6.225288      1.853547      2.107714
  C      -6.059751      2.175289      0.795997
  N      -5.995589      1.353177     -0.234818
  C      -6.089073      0.020391      0.058585
  C      -6.028149     -0.923670     -0.998071
  C      -6.096421     -2.274212     -0.725979
  C      -6.227616     -2.735564      0.606338
  C      -6.294664     -1.837514      1.654586
  C      -6.233462     -0.443263      1.405993
  C      -3.862979      6.314203      5.944997
  C      -3.843313      7.569505      5.057308
  C      -4.130028      7.243137      3.594753
  C      -5.539873      6.819094      3.284618
  N      -6.458361      6.901835      4.237643
  C      -7.721998      6.513506      3.923237
  N      -8.173107      6.073904      2.767229
  C      -7.257798      6.024310      1.753742
  C      -7.680253      5.618711      0.465874
  C      -6.776725      5.576031     -0.574895
  C      -5.421375      5.918295     -0.364513
  C      -4.983599      6.310636      0.884363
  C      -5.891552      6.379272      1.966540
  C      -5.886742      2.844349      7.172759
  C      -6.773324      4.063212      7.485414
  C      -8.259001      3.707508      7.538367
  C      -8.903510      3.356014      6.215981
  N      -8.180800      3.438692      5.112312
  C      -8.772703      3.082738      3.934862
  N      -9.998385      2.636236      3.754556
  C     -10.777469      2.569501      4.873637
  C     -12.118898      2.126241      4.751365
  C     -12.928537      2.058797      5.862583
  C     -12.432622      2.425691      7.136039
  C     -11.127253      2.854633      7.283648
  C     -10.273099      2.935354      6.159467
  H      -3.605298      1.053661      3.138929
  H      -4.715186      2.060921      4.170924
  H      -5.067681     -0.075955      5.592784
  H      -4.563805     -0.943233      4.124423
  H      -6.997723     -0.664735      4.051388
  H      -6.870193      1.074646      4.394197
  H      -5.973790      3.243993      0.582657
  H      -5.922659     -0.547122     -2.017642
  H      -6.048363     -2.996759     -1.543953
  H      -6.278276     -3.807217      0.803318
  H      -6.398383     -2.201865      2.678378
  H      -4.886801      5.916031      5.949276
  H      -3.640336      6.602645      6.998004
  H      -2.853278      8.048461      5.119771
  H      -4.577384      8.294288      5.441740
  H      -3.902912      8.118722      2.961785
  H      -3.441184      6.446846      3.266281
  H      -8.441150      6.566682      4.743292
  H      -8.727642      5.346308      0.331297
  H      -7.104053      5.259923     -1.565341
  H      -4.717209      5.864582     -1.193959
  H      -3.935492      6.565803      1.040192
  H      -5.961871      2.125999      8.019964
  H      -6.311754      2.350866      6.282591
  H      -6.482728      4.491076      8.458752
  H      -6.597362      4.832218      6.719984
  H      -8.414132      2.859758      8.229824
  H      -8.831153      4.541980      7.975279
  H      -8.126587      3.152496      3.063115
  H     -12.481159      1.852370      3.758997
  H     -13.962399      1.721656      5.762388
  H     -13.087589      2.368160      8.004034
  H     -10.752428      3.136020      8.268539
  N      -2.803665      3.588320      3.435376
  N      -2.265169      3.726351      2.315618
  H      -1.249588      3.443818      2.322892
98
Coordinates from ORCA-job orca E -6258.420702586478
  N      -2.998332      1.370124      5.181387
  Mo     -3.546745      3.364967      5.076352
  N      -4.504928      3.180168      6.879619
  C      -3.637089      3.266910      8.044828
  C      -2.299058      2.596902      7.717054
  N      -1.734596      3.146978      6.441062
  C      -0.811892      2.209671      5.747750
  C      -1.595880      1.115281      4.975802
  C      -1.086410      4.469415      6.682090
  C      -1.524959      5.442000      5.580148
  N      -2.938590      5.285624      5.441833
  H      -1.298319      1.146142      3.907541
  H      -1.326181      0.113906      5.359057
  H      -0.235105      2.819785      5.040420
  H      -0.104602      1.778154      6.476429
  H      -1.239704      6.469275      5.870202
  H      -0.987919      5.210288      4.638003
  H      -1.459137      4.849878      7.642134
  H       0.006770      4.337967      6.761464
  H      -4.076352      2.724140      8.904749
  H      -3.477649      4.312681      8.385186
  H      -2.466831      1.525950      7.556339
  H      -1.559333      2.735438      8.526146
  C      -3.969829      1.117998      4.173556
  C      -4.967990     -0.008269      4.494555
  C      -6.357803      0.213488      3.861155
  C      -6.267106      0.542892      2.397695
  N      -6.204754      1.833768      2.085148
  C      -6.040688      2.159151      0.776833
  N      -5.965024      1.338206     -0.250776
  C      -6.047308      0.004746      0.039946
  C      -5.979495     -0.935951     -1.016169
  C      -6.040151     -2.286479     -0.745744
  C      -6.171223     -2.750256      0.583447
  C      -6.245188     -1.855682      1.630735
  C      -6.190664     -0.461548      1.384261
  C      -3.823310      6.303436      5.955871
  C      -3.836846      7.564216      5.072337
  C      -4.151533      7.240072      3.614846
  C      -5.567602      6.818027      3.328795
  N      -6.474064      6.909146      4.295236
  C      -7.748679      6.543625      3.998155
  N      -8.224939      6.126212      2.845732
  C      -7.318368      6.046296      1.823458
  C      -7.760431      5.637240      0.545001
  C      -6.863793      5.559383     -0.502266
  C      -5.498327      5.871628     -0.308477
  C      -5.041948      6.269488      0.929879
  C      -5.940075      6.371545      2.019562
  C      -5.887190      2.864921      7.142181
  C      -6.772695      4.092408      7.426279
  C      -8.259748      3.750571      7.485736
  C      -8.908546      3.383195      6.172336
  N      -8.192023      3.453345      5.061008
  C      -8.790503      3.085292      3.892385
  N     -10.019685      2.646875      3.726612
  C     -10.793519      2.592121      4.852919
  C     -12.136330      2.153837      4.745762
  C     -12.937279      2.094385      5.866982
  C     -12.430671      2.466715      7.133438
  C     -11.124314      2.893015      7.265777
  C     -10.278600      2.964699      6.131986
  H      -3.568820      1.038112      3.147071
  H      -4.691898      2.046327      4.146107
  H      -5.068519     -0.078659      5.586186
  H      -4.539533     -0.958245      4.136796
  H      -6.976284     -0.678670      4.026965
  H      -6.846140      1.061699      4.360551
  H      -5.965921      3.229159      0.566232
  H      -5.876041     -0.557428     -2.032669
  H      -5.987340     -3.007040     -1.562458
  H      -6.216707     -3.822017      0.778082
  H      -6.349632     -2.221315      2.651644
  H      -4.844172      5.896750      5.973655
  H      -3.591291      6.593357      7.006776
  H      -2.849147      8.050482      5.115133
  H      -4.566805      8.282279      5.475411
  H      -3.932628      8.112569      2.975058
  H      -3.469792      6.441695      3.276851
  H      -8.457067      6.601218      4.829658
  H      -8.815883      5.388627      0.422724
  H      -7.205593      5.239614     -1.485672
  H      -4.800203      5.789401     -1.142931
  H      -3.986624      6.499565      1.072537
  H      -5.974961      2.158281      7.997635
  H      -6.304224      2.359257      6.254422
  H      -6.481410      4.540316      8.389576
  H      -6.589917      4.843618      6.644727
  H      -8.422735      2.916371      8.190940
  H      -8.824471      4.596623      7.911795
  H      -8.147485      3.130940      3.012232
  H     -12.506691      1.875285      3.758753
  H     -13.971749      1.759809      5.779125
  H     -13.078826      2.415182      8.009439
  H     -10.741138      3.178766      8.245316
  N      -2.794408      3.578998      3.405389
  N      -2.281900      3.718028      2.272009
  H      -1.296967      3.364259      2.276588
98
Coordinates from ORCA-job orca E -6258.423968368242
  N      -3.016983      1.370785      5.182834
  Mo     -3.527517      3.377010      5.057496
  N      -4.508233      3.218787      6.859990
  C      -3.642551      3.302679      8.026587
  C      -2.314710      2.607491      7.708995
  N      -1.735464      3.141982      6.432397
  C      -0.820411      2.188821      5.749240
  C      -1.615028      1.103480      4.977466
  C      -1.064055      4.455225      6.674122
  C      -1.488261      5.432259      5.572077
  N      -2.904852      5.293974      5.436827
  H      -1.317869      1.130364      3.908958
  H      -1.354374      0.099082      5.360652
  H      -0.231498      2.788573      5.042892
  H      -0.121853      1.750380      6.482949
  H      -1.187398      6.456296      5.860330
  H      -0.957775      5.192482      4.628676
  H      -1.432238      4.842124      7.633874
  H       0.025905      4.303625      6.757408
  H      -4.089953      2.773997      8.891016
  H      -3.465532      4.347857      8.361286
  H      -2.500629      1.538860      7.553389
  H      -1.574040      2.737813      8.519390
  C      -3.977681      1.126857      4.164425
  C      -4.988180      0.007600      4.475481
  C      -6.366800      0.227142      3.816413
  C      -6.257743      0.532444      2.348609
  N      -6.194952      1.818591      2.013417
  C      -6.014512      2.122154      0.700168
  N      -5.918528      1.281089     -0.311545
  C      -6.000001     -0.048685      0.002286
  C      -5.910531     -1.010632     -1.035902
  C      -5.970709     -2.357818     -0.739646
  C      -6.123196     -2.796887      0.597422
  C      -6.218304     -1.881301      1.627072
  C      -6.163690     -0.490149      1.354197
  C      -3.774101      6.308045      5.981764
  C      -3.811132      7.574091      5.105971
  C      -4.159908      7.252286      3.655374
  C      -5.582112      6.828649      3.400749
  N      -6.467915      6.921992      4.386237
  C      -7.750646      6.565328      4.114828
  N      -8.253722      6.159554      2.968889
  C      -7.366523      6.062059      1.930878
  C      -7.834469      5.647896      0.661644
  C      -6.957353      5.549977     -0.399612
  C      -5.585140      5.844503     -0.229847
  C      -5.102818      6.246037      0.999055
  C      -5.981867      6.372827      2.102196
  C      -5.891130      2.903207      7.113775
  C      -6.776251      4.134239      7.381184
  C      -8.263068      3.795312      7.448289
  C      -8.905998      3.407700      6.139955
  N      -8.183173      3.466397      5.031547
  C      -8.774494      3.086105      3.864726
  N     -10.004087      2.648080      3.697553
  C     -10.783848      2.600893      4.821778
  C     -12.124725      2.159420      4.713910
  C     -12.929936      2.106846      5.833802
  C     -12.429189      2.490470      7.098555
  C     -11.124880      2.920788      7.231415
  C     -10.274667      2.984609      6.099639
  H      -3.564434      1.041871      3.142351
  H      -4.689796      2.058322      4.116467
  H      -5.110257     -0.050314      5.565989
  H      -4.556643     -0.948458      4.138052
  H      -6.993844     -0.659055      3.988248
  H      -6.856358      1.086884      4.295345
  H      -5.942670      3.189809      0.472110
  H      -5.791211     -0.650899     -2.059257
  H      -5.900945     -3.095537     -1.542171
  H      -6.168157     -3.866551      0.811803
  H      -6.338795     -2.227210      2.654817
  H      -4.794706      5.902721      6.018695
  H      -3.520349      6.592777      7.029160
  H      -2.822515      8.060934      5.126245
  H      -4.531983      8.289145      5.530846
  H      -3.953329      8.121999      3.007203
  H      -3.486408      6.451379      3.305690
  H      -8.443728      6.628440      4.960497
  H      -8.894052      5.411764      0.558331
  H      -7.319616      5.226595     -1.376320
  H      -4.901937      5.743989     -1.074105
  H      -4.041361      6.457344      1.123960
  H      -5.988067      2.203858      7.974065
  H      -6.303721      2.390461      6.227906
  H      -6.481164      4.598190      8.335544
  H      -6.593604      4.871987      6.586679
  H      -8.428418      2.972342      8.166701
  H      -8.827931      4.649635      7.861183
  H      -8.126766      3.125893      2.982662
  H     -12.490517      1.872189      3.728090
  H     -13.963245      1.768927      5.745935
  H     -13.080417      2.444861      7.973028
  H     -10.746311      3.215595      8.209751
  N      -2.792751      3.583977      3.377795
  N      -2.310118      3.710419      2.228724
  H      -1.354580      3.272668      2.205898
98
Coordinates from ORCA-job orca E -6258.427101054242
  N      -3.023703      1.361594      5.196520
  Mo     -3.500108      3.376692      5.038545
  N      -4.508736      3.255876      6.834707
  C      -3.648117      3.346149      8.004762
  C      -2.329566      2.625972      7.706604
  N      -1.734677      3.138125      6.426791
  C      -0.820985      2.168407      5.763743
  C      -1.620212      1.085769      4.996096
  C      -1.044221      4.445176      6.665313
  C      -1.454505      5.418874      5.558080
  N      -2.874263      5.291933      5.424985
  H      -1.322720      1.104125      3.927657
  H      -1.366690      0.081364      5.384362
  H      -0.219182      2.754378      5.056690
  H      -0.133413      1.730714      6.508369
  H      -1.142729      6.441511      5.839455
  H      -0.930550      5.168404      4.614792
  H      -1.411347      4.841175      7.622183
  H       0.041961      4.277490      6.755317
  H      -4.105552      2.838535      8.876512
  H      -3.456098      4.392783      8.325565
  H      -2.531412      1.558919      7.562806
  H      -1.591146      2.754731      8.519416
  C      -3.969487      1.115716      4.165881
  C      -4.987378      0.000016      4.466498
  C      -6.353914      0.217253      3.782871
  C      -6.225771      0.518644      2.316474
  N      -6.161880      1.803338      1.980950
  C      -5.969767      2.105738      0.669147
  N      -5.860061      1.263763     -0.339593
  C      -5.941470     -0.064237     -0.024833
  C      -5.840213     -1.026304     -1.059606
  C      -5.903319     -2.372040     -0.761939
  C      -6.070013     -2.809358      0.573317
  C      -6.176309     -1.893713      1.599785
  C      -6.118833     -0.503821      1.325424
  C      -3.726725      6.302062      6.001460
  C      -3.788756      7.570049      5.128955
  C      -4.177790      7.248027      3.687793
  C      -5.606992      6.825286      3.468318
  N      -6.471225      6.926377      4.472879
  C      -7.764159      6.582661      4.228118
  N      -8.295798      6.187003      3.090044
  C      -7.429233      6.066736      2.036577
  C      -7.924982      5.642243      0.778587
  C      -7.066866      5.513197     -0.295672
  C      -5.686370      5.786097     -0.151241
  C      -5.177089      6.197744      1.066078
  C      -6.036539      6.357509      2.182226
  C      -5.893343      2.941483      7.078383
  C      -6.777165      4.179503      7.317852
  C      -8.265661      3.849784      7.397565
  C      -8.910789      3.434589      6.098810
  N      -8.186325      3.467306      4.990912
  C      -8.777555      3.067134      3.830891
  N     -10.010274      2.632026      3.669170
  C     -10.791475      2.609394      4.793485
  C     -12.133658      2.170335      4.692725
  C     -12.939508      2.142178      5.813088
  C     -12.437787      2.548576      7.071075
  C     -11.131800      2.977045      7.197099
  C     -10.280685      3.015422      6.065038
  H      -3.540146      1.021934      3.150489
  H      -4.672754      2.047964      4.090409
  H      -5.132629     -0.046984      5.555250
  H      -4.549370     -0.959527      4.147940
  H      -6.988052     -0.664942      3.950611
  H      -6.846512      1.081888      4.249850
  H      -5.901650      3.172998      0.441424
  H      -5.710918     -0.667687     -2.081689
  H      -5.825365     -3.110424     -1.561676
  H      -6.117598     -3.878047      0.788114
  H      -6.308335     -2.237648      2.626282
  H      -4.745977      5.897281      6.063721
  H      -3.445040      6.586375      7.041879
  H      -2.799215      8.056395      5.120331
  H      -4.497507      8.283409      5.577188
  H      -3.984325      8.112932      3.028537
  H      -3.515712      6.441878      3.326970
  H      -8.438686      6.647498      5.089224
  H      -8.990210      5.421664      0.695483
  H      -7.450440      5.181115     -1.263493
  H      -5.017913      5.658845     -1.004630
  H      -4.108234      6.386186      1.172563
  H      -6.001229      2.256561      7.949062
  H      -6.299281      2.414806      6.197606
  H      -6.475047      4.667413      8.258509
  H      -6.593756      4.895974      6.504082
  H      -8.435464      3.046060      8.137333
  H      -8.824621      4.717711      7.790541
  H      -8.128782      3.085645      2.947948
  H     -12.500115      1.864957      3.711525
  H     -13.974490      1.805531      5.731239
  H     -13.089385      2.522452      7.945656
  H     -10.752495      3.289606      8.170667
  N      -2.767204      3.568231      3.357298
  N      -2.321767      3.673525      2.192342
  H      -1.408847      3.173582      2.130978
98
Coordinates from ORCA-job orca E -6258.430009931662
  N      -3.039983      1.357898      5.200328
  Mo     -3.493389      3.379874      5.024374
  N      -4.508844      3.282232      6.817381
  C      -3.645233      3.373258      7.985197
  C      -2.334846      2.637403      7.690942
  N      -1.737735      3.136513      6.406207
  C      -0.828365      2.155039      5.752413
  C      -1.636961      1.075054      4.992436
  C      -1.032636      4.438801      6.641470
  C      -1.441812      5.411530      5.536354
  N      -2.866224      5.292326      5.414995
  H      -1.348849      1.088911      3.921591
  H      -1.386305      0.070075      5.380759
  H      -0.221690      2.730563      5.041453
  H      -0.145621      1.718408      6.501835
  H      -1.121491      6.433020      5.811586
  H      -0.931530      5.154471      4.588669
  H      -1.392028      4.838296      7.599850
  H       0.051822      4.260696      6.727246
  H      -4.106004      2.878615      8.862268
  H      -3.442536      4.420247      8.297359
  H      -2.548352      1.571916      7.553316
  H      -1.593468      2.763061      8.501315
  C      -3.982840      1.109450      4.167119
  C      -5.001241     -0.005359      4.467302
  C      -6.365045      0.200708      3.775484
  C      -6.233052      0.495255      2.308097
  N      -6.193717      1.779367      1.964378
  C      -6.006211      2.075096      0.651276
  N      -5.875424      1.228084     -0.351049
  C      -5.928553     -0.099129     -0.027273
  C      -5.801872     -1.066918     -1.053873
  C      -5.837551     -2.411829     -0.746955
  C      -6.001776     -2.842718      0.589996
  C      -6.132548     -1.921485      1.608862
  C      -6.102488     -0.532257      1.324860
  C      -3.696878      6.301715      6.025654
  C      -3.769155      7.576399      5.161089
  C      -4.180601      7.269734      3.722376
  C      -5.613247      6.854561      3.509090
  N      -6.475193      6.956312      4.516566
  C      -7.772185      6.622321      4.271727
  N      -8.308903      6.237816      3.131306
  C      -7.442955      6.107904      2.077737
  C      -7.941898      5.678798      0.820832
  C      -7.083268      5.532579     -0.252331
  C      -5.699589      5.794128     -0.108315
  C      -5.187350      6.209769      1.108169
  C      -6.047338      6.386135      2.223540
  C      -5.892101      2.961398      7.061159
  C      -6.782985      4.195688      7.295868
  C      -8.270947      3.861153      7.383707
  C      -8.917315      3.443668      6.085483
  N      -8.192966      3.485588      4.976242
  C      -8.783106      3.093790      3.813535
  N     -10.015465      2.657603      3.648268
  C     -10.796009      2.623291      4.774551
  C     -12.137443      2.181305      4.671796
  C     -12.943475      2.140900      5.793359
  C     -12.443006      2.538070      7.054948
  C     -11.137575      2.969620      7.183036
  C     -10.286012      3.019928      6.049873
  H      -3.548036      1.007882      3.154114
  H      -4.678266      2.043641      4.077437
  H      -5.155432     -0.044220      5.555336
  H      -4.557097     -0.965489      4.160104
  H      -6.996292     -0.683055      3.946301
  H      -6.864151      1.065727      4.234709
  H      -5.964250      3.142078      0.416875
  H      -5.675448     -0.713050     -2.077484
  H      -5.739817     -3.154791     -1.540496
  H      -6.027643     -3.910901      0.812078
  H      -6.261623     -2.260205      2.636892
  H      -4.715494      5.901515      6.111580
  H      -3.385229      6.579971      7.059059
  H      -2.777315      8.057141      5.136792
  H      -4.466193      8.288614      5.628891
  H      -3.988839      8.136495      3.065975
  H      -3.527382      6.461434      3.350833
  H      -8.444372      6.682755      5.134951
  H      -9.009613      5.466355      0.738729
  H      -7.468780      5.196036     -1.218430
  H      -5.031194      5.652555     -0.960684
  H      -4.115403      6.384131      1.215431
  H      -5.998785      2.279575      7.934332
  H      -6.293395      2.428611      6.182403
  H      -6.475936      4.692127      8.230294
  H      -6.607756      4.907152      6.476340
  H      -8.436915      3.060140      8.127076
  H      -8.830724      4.729785      7.774954
  H      -8.135380      3.123206      2.929727
  H     -12.502968      1.883324      3.687834
  H     -13.977891      1.801844      5.710090
  H     -13.094890      2.502497      7.930638
  H     -10.759322      3.275117      8.159389
  N      -2.763501      3.555372      3.340444
  N      -2.359452      3.644132      2.156911
  H      -1.487854      3.074465      2.037164
98
Coordinates from ORCA-job orca E -6258.432640216030
  N      -3.052052      1.355305      5.202861
  Mo     -3.474353      3.387333      5.002594
  N      -4.502705      3.318517      6.784762
  C      -3.640195      3.408426      7.954102
  C      -2.338977      2.653132      7.669843
  N      -1.734143      3.135670      6.379673
  C      -0.829762      2.136808      5.742357
  C      -1.649967      1.060267      4.991191
  C      -1.010642      4.433029      6.609938
  C      -1.415018      5.404754      5.505297
  N      -2.845931      5.295135      5.398807
  H      -1.369175      1.067646      3.918289
  H      -1.406820      0.054391      5.381930
  H      -0.213841      2.697561      5.027704
  H      -0.156924      1.702701      6.501945
  H      -1.084489      6.425178      5.772348
  H      -0.921609      5.138599      4.552538
  H      -1.362140      4.837259      7.569208
  H       0.072207      4.241463      6.692517
  H      -4.110666      2.929927      8.834855
  H      -3.425570      4.455844      8.256629
  H      -2.566628      1.589681      7.538564
  H      -1.596714      2.774400      8.479724
  C      -3.989933      1.103845      4.163507
  C      -5.014016     -0.004697      4.460147
  C      -6.368592      0.194650      3.748437
  C      -6.220706      0.473726      2.278446
  N      -6.189244      1.754819      1.919505
  C      -5.990037      2.036941      0.603488
  N      -5.835485      1.179457     -0.388480
  C      -5.876491     -0.145041     -0.048203
  C      -5.721475     -1.124993     -1.061420
  C      -5.745544     -2.466774     -0.738184
  C      -5.926116     -2.883366      0.602820
  C      -6.084172     -1.950388      1.609065
  C      -6.065659     -0.564001      1.308018
  C      -3.647367      6.306060      6.051084
  C      -3.741710      7.583416      5.188926
  C      -4.203137      7.276077      3.766089
  C      -5.639790      6.861432      3.602447
  N      -6.467225      6.976805      4.633326
  C      -7.770158      6.642704      4.431229
  N      -8.342006      6.249186      3.313850
  C      -7.509404      6.098224      2.240922
  C      -8.046471      5.645526      1.011089
  C      -7.222956      5.471503     -0.080659
  C      -5.836566      5.727480      0.018292
  C      -5.287793      6.164961      1.207420
  C      -6.112449      6.371636      2.340266
  C      -5.887654      2.997236      7.024241
  C      -6.781523      4.230109      7.252292
  C      -8.269923      3.896908      7.337307
  C      -8.908013      3.478345      6.034165
  N      -8.173196      3.516078      4.932737
  C      -8.754262      3.131367      3.763498
  N      -9.987402      2.705411      3.582373
  C     -10.776496      2.673804      4.700664
  C     -12.119270      2.243405      4.582136
  C     -12.936676      2.207434      5.693533
  C     -12.446981      2.597188      6.961741
  C     -11.140216      3.016843      7.105431
  C     -10.277201      3.062770      5.982499
  H      -3.545294      0.989957      3.155755
  H      -4.673342      2.042845      4.053905
  H      -5.185938     -0.031918      5.545920
  H      -4.563859     -0.967251      4.169940
  H      -7.001445     -0.687163      3.922347
  H      -6.873612      1.065138      4.191225
  H      -5.959385      3.102849      0.357169
  H      -5.583023     -0.782099     -2.088766
  H      -5.625755     -3.218864     -1.521756
  H      -5.942594     -3.949557      0.838015
  H      -6.225072     -2.277923      2.640681
  H      -4.663117      5.909573      6.175678
  H      -3.290904      6.581403      7.070151
  H      -2.749509      8.059516      5.126475
  H      -4.417958      8.297589      5.683843
  H      -4.029881      8.137896      3.098645
  H      -3.566434      6.462486      3.379433
  H      -8.414016      6.712391      5.312878
  H      -9.115022      5.436031      0.965551
  H      -7.637289      5.116526     -1.024947
  H      -5.196029      5.562278     -0.847829
  H      -4.214557      6.329880      1.280882
  H      -5.998616      2.317498      7.898605
  H      -6.281896      2.461006      6.144319
  H      -6.473044      4.732995      8.182908
  H      -6.608181      4.937040      6.429057
  H      -8.441909      3.101061      8.083820
  H      -8.829009      4.769393      7.720057
  H      -8.099625      3.161813      2.887712
  H     -12.476189      1.951429      3.593491
  H     -13.972053      1.878223      5.597875
  H     -13.108070      2.565879      7.829573
  H     -10.770519      3.317353      8.086452
  N      -2.734118      3.535503      3.328200
  N      -2.377840      3.610466      2.128661
  H      -1.559482      2.998257      1.945779
98
Coordinates from ORCA-job orca E -6258.434991733015
  N      -3.079781      1.350974      5.209452
  Mo     -3.486872      3.388979      4.993723
  N      -4.513615      3.333112      6.770012
  C      -3.648888      3.422688      7.937495
  C      -2.352311      2.659564      7.653489
  N      -1.749887      3.133933      6.358315
  C      -0.850200      2.125423      5.730203
  C      -1.679868      1.049812      4.989014
  C      -1.018378      4.429149      6.582812
  C      -1.428281      5.399500      5.481107
  N      -2.863864      5.293196      5.389051
  H      -1.408914      1.054724      3.913432
  H      -1.437839      0.043851      5.379737
  H      -0.231309      2.676257      5.010724
  H      -0.181853      1.694450      6.495057
  H      -1.093140      6.420056      5.739904
  H      -0.950528      5.126837      4.523137
  H      -1.360643      4.834249      7.544779
  H       0.064149      4.233289      6.656435
  H      -4.121484      2.952015      8.821096
  H      -3.429575      4.470658      8.233927
  H      -2.586712      1.597340      7.525720
  H      -1.606677      2.779238      8.459883
  C      -4.017322      1.095122      4.171190
  C      -5.043967     -0.008159      4.471839
  C      -6.393498      0.195610      3.753471
  C      -6.234441      0.474962      2.284913
  N      -6.206157      1.754865      1.924078
  C      -6.003235      2.034399      0.608782
  N      -5.838948      1.177841     -0.380310
  C      -5.873335     -0.144955     -0.037520
  C      -5.706764     -1.124457     -1.047103
  C      -5.726250     -2.464382     -0.721805
  C      -5.913477     -2.879263      0.618159
  C      -6.082410     -1.946651      1.621042
  C      -6.068395     -0.562355      1.317747
  C      -3.644162      6.307345      6.066450
  C      -3.735813      7.594437      5.216340
  C      -4.186259      7.313982      3.784187
  C      -5.620263      6.902654      3.584397
  N      -6.474454      7.003645      4.597209
  C      -7.773665      6.674057      4.356595
  N      -8.318904      6.299890      3.217507
  C      -7.457678      6.159530      2.163015
  C      -7.964307      5.715861      0.914517
  C      -7.109811      5.543280     -0.156769
  C      -5.724047      5.796785     -0.018977
  C      -5.205774      6.227481      1.188589
  C      -6.061179      6.427927      2.302625
  C      -5.894992      3.002775      7.016110
  C      -6.794844      4.228008      7.254390
  C      -8.278220      3.880593      7.361510
  C      -8.926665      3.449210      6.066905
  N      -8.201733      3.485804      4.959260
  C      -8.790843      3.088442      3.797592
  N     -10.022827      2.649877      3.629585
  C     -10.801573      2.617350      4.754803
  C     -12.143466      2.171824      4.650829
  C     -12.951013      2.134822      5.768919
  C     -12.452465      2.537969      7.030252
  C     -11.146235      2.971760      7.159999
  C     -10.293243      3.019524      6.029486
  H      -3.569874      0.970777      3.165520
  H      -4.691814      2.037212      4.051541
  H      -5.221125     -0.028152      5.556657
  H      -4.595806     -0.973482      4.189051
  H      -7.030872     -0.682832      3.923466
  H      -6.898001      1.067568      4.193390
  H      -5.979812      3.099207      0.359544
  H      -5.563828     -0.782714     -2.073599
  H      -5.597870     -3.215895     -1.502554
  H      -5.926528     -3.943766      0.855327
  H      -6.228505     -2.273152      2.651796
  H      -4.659581      5.915549      6.205259
  H      -3.264935      6.574067      7.079056
  H      -2.741813      8.067485      5.161693
  H      -4.410528      8.303299      5.719750
  H      -4.002591      8.187490      3.136108
  H      -3.544996      6.507459      3.390568
  H      -8.439735      6.726451      5.224327
  H      -9.033537      5.508406      0.839589
  H      -7.500144      5.193575     -1.115459
  H      -5.060155      5.634267     -0.870215
  H      -4.132893      6.389515      1.291475
  H      -5.994850      2.320598      7.889446
  H      -6.290191      2.465109      6.137488
  H      -6.476600      4.737076      8.178103
  H      -6.641242      4.934349      6.426683
  H      -8.433960      3.087333      8.114514
  H      -8.840407      4.750381      7.744089
  H      -8.144809      3.120215      2.917181
  H     -12.506831      1.869550      3.667211
  H     -13.985457      1.794182      5.684441
  H     -13.105933      2.505750      7.903468
  H     -10.769774      3.282244      8.135668
  N      -2.728281      3.513655      3.324485
  N      -2.402619      3.595748      2.118219
  H      -1.639004      2.933382      1.891822
98
Coordinates from ORCA-job orca E -6258.436997055971
  N      -3.084408      1.346012      5.210392
  Mo     -3.482601      3.388199      4.980631
  N      -4.507903      3.342242      6.753586
  C      -3.641336      3.432967      7.919953
  C      -2.345210      2.668110      7.635418
  N      -1.744929      3.133783      6.334561
  C      -0.850323      2.116591      5.714343
  C      -1.687233      1.041024      4.981549
  C      -1.008959      4.429099      6.547107
  C      -1.427406      5.395778      5.444828
  N      -2.865557      5.290893      5.372017
  H      -1.423779      1.045782      3.903977
  H      -1.443855      0.035160      5.371514
  H      -0.228912      2.658648      4.990615
  H      -0.185661      1.688698      6.483883
  H      -1.087828      6.417007      5.693676
  H      -0.964877      5.115141      4.482143
  H      -1.341325      4.837415      7.511170
  H       0.073527      4.231882      6.610355
  H      -4.113893      2.966689      8.805822
  H      -3.420398      4.481801      8.211856
  H      -2.581976      1.606107      7.512451
  H      -1.596375      2.789967      8.438313
  C      -4.023843      1.086043      4.175829
  C      -5.052908     -0.011451      4.485840
  C      -6.397929      0.192273      3.759003
  C      -6.230329      0.463761      2.290090
  N      -6.206096      1.742096      1.923855
  C      -5.995517      2.017276      0.609159
  N      -5.818859      1.157825     -0.374601
  C      -5.847554     -0.163763     -0.026242
  C      -5.666300     -1.145711     -1.030417
  C      -5.679631     -2.484174     -0.699991
  C      -5.874988     -2.894813      0.639795
  C      -6.058149     -1.959716      1.637455
  C      -6.050811     -0.576864      1.328868
  C      -3.629215      6.302599      6.076053
  C      -3.738010      7.596218      5.237972
  C      -4.205739      7.323157      3.810690
  C      -5.640873      6.911182      3.629065
  N      -6.485688      7.028582      4.647832
  C      -7.789147      6.707044      4.422458
  N      -8.347017      6.326448      3.293840
  C      -7.494758      6.166962      2.234224
  C      -8.014597      5.712629      0.997821
  C      -7.168175      5.516170     -0.076058
  C      -5.777976      5.756126      0.047868
  C      -5.247688      6.199011      1.242505
  C      -6.094088      6.424460      2.358012
  C      -5.887695      3.005421      6.999986
  C      -6.790609      4.227186      7.243887
  C      -8.273863      3.877799      7.338140
  C      -8.915614      3.464384      6.034758
  N      -8.187869      3.516700      4.928978
  C      -8.774542      3.140442      3.759781
  N     -10.006377      2.708765      3.582924
  C     -10.787707      2.660505      4.705397
  C     -12.130063      2.223036      4.591074
  C     -12.940339      2.171787      5.706398
  C     -12.444035      2.552170      6.974916
  C     -11.137819      2.977390      7.114657
  C     -10.282147      3.039755      5.987237
  H      -3.575999      0.950697      3.171689
  H      -4.691995      2.030797      4.047490
  H      -5.234266     -0.021307      5.570010
  H      -4.606525     -0.980552      4.213522
  H      -7.038783     -0.683579      3.929839
  H      -6.901679      1.067989      4.191489
  H      -5.974840      3.081070      0.355036
  H      -5.517219     -0.807320     -2.056480
  H      -5.539864     -3.237294     -1.476546
  H      -5.882988     -3.958039      0.881224
  H      -6.210251     -2.283286      2.667618
  H      -4.641249      5.910356      6.237990
  H      -3.220231      6.561574      7.077709
  H      -2.746492      8.072940      5.172890
  H      -4.407531      8.299229      5.755867
  H      -4.030229      8.201243      3.165947
  H      -3.568727      6.520099      3.404326
  H      -8.447731      6.773965      5.294923
  H      -9.086650      5.514452      0.934421
  H      -7.568236      5.156951     -1.025476
  H      -5.120063      5.573369     -0.804519
  H      -4.171291      6.349582      1.335179
  H      -5.985187      2.316994      7.868571
  H      -6.280333      2.471936      6.117690
  H      -6.478038      4.729723      8.173013
  H      -6.634895      4.940631      6.422641
  H      -8.433896      3.075578      8.079762
  H      -8.838193      4.743265      7.727365
  H      -8.125879      3.182119      2.881030
  H     -12.491442      1.938500      3.602069
  H     -13.974942      1.837650      5.614013
  H     -13.099678      2.508901      7.845755
  H     -10.762944      3.270445      8.095755
  N      -2.714944      3.495410      3.309060
  N      -2.402552      3.588520      2.098400
  H      -1.692458      2.858301      1.844932
98
Coordinates from ORCA-job orca E -6258.438739438656
  N      -3.097186      1.344713      5.202295
  Mo     -3.478462      3.395514      4.958860
  N      -4.509606      3.358583      6.726384
  C      -3.643164      3.447010      7.893921
  C      -2.348559      2.677344      7.611439
  N      -1.745327      3.134378      6.306195
  C      -0.857393      2.106272      5.694589
  C      -1.703018      1.035178      4.964981
  C      -1.001683      4.427721      6.510711
  C      -1.425714      5.395202      5.410518
  N      -2.866687      5.295976      5.356240
  H      -1.445117      1.044899      3.885695
  H      -1.459251      0.027194      5.350064
  H      -0.229250      2.639486      4.969969
  H      -0.200212      1.677925      6.470518
  H      -1.078266      6.415713      5.652646
  H      -0.979376      5.107981      4.442640
  H      -1.323191      4.836335      7.478473
  H       0.080583      4.225370      6.564009
  H      -4.118250      2.984352      8.780365
  H      -3.418474      4.495680      8.184207
  H      -2.589795      1.616103      7.491016
  H      -1.597110      2.798605      8.412073
  C      -4.037366      1.085248      4.168461
  C      -5.074560     -0.002639      4.486577
  C      -6.416409      0.197090      3.750220
  C      -6.244141      0.448085      2.277936
  N      -6.236784      1.720857      1.888563
  C      -6.025188      1.975425      0.569289
  N      -5.830844      1.099429     -0.398041
  C      -5.841065     -0.217730     -0.025373
  C      -5.638400     -1.217136     -1.010737
  C      -5.633027     -2.551027     -0.654724
  C      -5.831390     -2.939749      0.691974
  C      -6.035482     -1.987250      1.670938
  C      -6.046209     -0.608680      1.335993
  C      -3.609310      6.299200      6.096939
  C      -3.726331      7.608855      5.286195
  C      -4.199631      7.363746      3.856640
  C      -5.632800      6.947380      3.675520
  N      -6.474342      7.058481      4.695738
  C      -7.776907      6.735194      4.470779
  N      -8.335018      6.356236      3.341700
  C      -7.484150      6.198724      2.281536
  C      -8.002623      5.739566      1.046736
  C      -7.157424      5.542868     -0.025612
  C      -5.770377      5.790114      0.096942
  C      -5.241033      6.237696      1.289622
  C      -6.085684      6.461247      2.404413
  C      -5.888446      3.012350      6.968095
  C      -6.797849      4.227449      7.219915
  C      -8.279332      3.870012      7.312315
  C      -8.922969      3.461782      6.008039
  N      -8.200396      3.520635      4.898709
  C      -8.793416      3.151643      3.729762
  N     -10.026765      2.723078      3.557076
  C     -10.802445      2.666595      4.683524
  C     -12.145876      2.230728      4.573804
  C     -12.949602      2.170394      5.694219
  C     -12.445452      2.540398      6.962897
  C     -11.138653      2.964644      7.097731
  C     -10.289646      3.035959      5.965142
  H      -3.587154      0.938553      3.166877
  H      -4.697405      2.033786      4.027446
  H      -5.260696      0.001685      5.569951
  H      -4.631866     -0.977692      4.229338
  H      -7.060343     -0.676235      3.928678
  H      -6.920008      1.078790      4.170398
  H      -6.020265      3.035388      0.294962
  H      -5.487702     -0.895846     -2.042479
  H      -5.475957     -3.317474     -1.416764
  H      -5.824699     -3.999769      0.954009
  H      -6.189314     -2.293917      2.706372
  H      -4.618463      5.907668      6.276651
  H      -3.171468      6.537466      7.091169
  H      -2.736338      8.090001      5.225965
  H      -4.393898      8.300082      5.821966
  H      -4.031384      8.256663      3.230345
  H      -3.560331      6.574011      3.429823
  H      -8.434268      6.800751      5.343795
  H      -9.072116      5.536369      0.984437
  H      -7.556580      5.179217     -0.973848
  H      -5.113573      5.608690     -0.754421
  H      -4.167069      6.394156      1.380724
  H      -5.982944      2.314423      7.829468
  H      -6.276958      2.484518      6.080357
  H      -6.487946      4.727040      8.151784
  H      -6.646855      4.947086      6.402566
  H      -8.435511      3.062483      8.049332
  H      -8.848294      4.730539      7.706653
  H      -8.148100      3.196448      2.847314
  H     -12.513329      1.954028      3.584634
  H     -13.984809      1.837011      5.605410
  H     -13.096103      2.489632      7.837984
  H     -10.757496      3.249805      8.078818
  N      -2.704387      3.491577      3.294161
  N      -2.405092      3.614663      2.080885
  H      -1.753432      2.852585      1.791401
98
Coordinates from ORCA-job orca E -6258.440200840096
  N      -3.098625      1.332759      5.202759
  Mo     -3.477608      3.388091      4.944096
  N      -4.509626      3.356333      6.708705
  C      -3.642350      3.447671      7.876367
  C      -2.344889      2.682360      7.596516
  N      -1.743603      3.132466      6.286234
  C      -0.857320      2.097578      5.684076
  C      -1.705695      1.025358      4.959027
  C      -1.000971      4.428657      6.478325
  C      -1.436080      5.390383      5.376787
  N      -2.879172      5.289118      5.338388
  H      -1.452651      1.039149      3.878472
  H      -1.456252      0.017453      5.341060
  H      -0.224504      2.622779      4.957658
  H      -0.205546      1.672725      6.466535
  H      -1.085815      6.412321      5.608602
  H      -1.002769      5.095004      4.406323
  H      -1.313107      4.839450      7.448348
  H       0.082311      4.229786      6.520873
  H      -4.115719      2.986183      8.764196
  H      -3.420126      4.497520      8.163505
  H      -2.582528      1.619767      7.481725
  H      -1.592060      2.810722      8.394607
  C      -4.040453      1.067630      4.172706
  C      -5.084914     -0.010388      4.500689
  C      -6.421159      0.195334      3.755380
  C      -6.236086      0.445600      2.285223
  N      -6.222479      1.716719      1.896581
  C      -5.996456      1.971199      0.579820
  N      -5.792431      1.095709     -0.385138
  C      -5.809055     -0.220240     -0.012727
  C      -5.597426     -1.218626     -0.995536
  C      -5.599572     -2.551351     -0.639843
  C      -5.814418     -2.939638      0.703982
  C      -6.026936     -1.988003      1.680360
  C      -6.030015     -0.610774      1.345603
  C      -3.608037      6.287368      6.100324
  C      -3.736405      7.605989      5.305523
  C      -4.214036      7.382849      3.872868
  C      -5.646383      6.962602      3.690300
  N      -6.490404      7.080746      4.707913
  C      -7.793314      6.759776      4.481298
  N      -8.348440      6.374656      3.352734
  C      -7.494673      6.207661      2.295575
  C      -8.009282      5.740128      1.062132
  C      -7.160289      5.531385     -0.005568
  C      -5.773609      5.776924      0.119247
  C      -5.248451      6.236022      1.309703
  C      -6.096217      6.469489      2.420535
  C      -5.887607      3.004328      6.950348
  C      -6.797084      4.215268      7.217587
  C      -8.278076      3.857115      7.309966
  C      -8.924196      3.458800      6.004518
  N      -8.202317      3.515989      4.896326
  C      -8.799082      3.153804      3.726625
  N     -10.035935      2.737390      3.552835
  C     -10.810990      2.682791      4.678577
  C     -12.157289      2.258690      4.567246
  C     -12.959594      2.199857      5.687635
  C     -12.450809      2.559365      6.957631
  C     -11.141327      2.972316      7.093875
  C     -10.293701      3.042069      5.961233
  H      -3.589992      0.908685      3.173074
  H      -4.696254      2.017978      4.020316
  H      -5.275131      0.006576      5.583149
  H      -4.648626     -0.991403      4.255131
  H      -7.072642     -0.673253      3.928844
  H      -6.921259      1.080649      4.172190
  H      -5.986694      3.030309      0.305273
  H      -5.434357     -0.897776     -2.025238
  H      -5.435855     -3.317131     -1.400008
  H      -5.814151     -3.998656      0.965909
  H      -6.194594     -2.294728      2.713402
  H      -4.613401      5.894260      6.296737
  H      -3.146840      6.514845      7.086104
  H      -2.749648      8.095120      5.251080
  H      -4.406588      8.285407      5.852900
  H      -4.053725      8.290006      3.264044
  H      -3.571398      6.606716      3.427544
  H      -8.453625      6.834418      5.351809
  H      -9.079061      5.539164      0.997550
  H      -7.556709      5.160391     -0.952345
  H      -5.113273      5.587147     -0.728195
  H      -4.175586      6.395590      1.401254
  H      -5.976794      2.296121      7.803678
  H      -6.278842      2.485750      6.058492
  H      -6.486380      4.706485      8.153675
  H      -6.647570      4.942773      6.406850
  H      -8.433259      3.043039      8.040380
  H      -8.846783      4.714171      7.711631
  H      -8.154065      3.195382      2.844464
  H     -12.528162      1.989571      3.577171
  H     -13.997140      1.875616      5.597466
  H     -13.100423      2.509896      7.832495
  H     -10.756657      3.249904      8.075770
  N      -2.688393      3.477179      3.284962
  N      -2.385235      3.631598      2.075888
  H      -1.791243      2.836633      1.752707
98
Coordinates from ORCA-job orca E -6258.441421046506
  N      -3.101524      1.325965      5.198379
  Mo     -3.472302      3.386661      4.925476
  N      -4.511142      3.362289      6.686669
  C      -3.646601      3.453367      7.856216
  C      -2.346931      2.689306      7.582601
  N      -1.741463      3.131047      6.270322
  C      -0.858196      2.086757      5.679204
  C      -1.709762      1.017488      4.952225
  C      -0.996431      4.427751      6.452077
  C      -1.435669      5.385011      5.347475
  N      -2.880844      5.287258      5.318854
  H      -1.457961      1.037055      3.871452
  H      -1.458623      0.008012      5.329481
  H      -0.214940      2.602316      4.955144
  H      -0.216764      1.660890      6.469674
  H      -1.079554      6.407020      5.570746
  H      -1.011692      5.080542      4.376566
  H      -1.300467      4.842498      7.423058
  H       0.087612      4.229462      6.487318
  H      -4.121602      2.992110      8.743422
  H      -3.425086      4.503591      8.142678
  H      -2.582227      1.625452      7.473261
  H      -1.595642      2.823709      8.380912
  C      -4.044930      1.059486      4.170987
  C      -5.103131     -0.002368      4.508388
  C      -6.433381      0.208665      3.752391
  C      -6.239252      0.444660      2.280457
  N      -6.226778      1.712006      1.877735
  C      -5.991435      1.953671      0.559790
  N      -5.776588      1.068030     -0.394090
  C      -5.793202     -0.244581     -0.007801
  C      -5.570952     -1.253029     -0.978642
  C      -5.573429     -2.582468     -0.608754
  C      -5.799631     -2.957341      0.737372
  C      -6.022456     -1.995609      1.702299
  C      -6.024715     -0.621476      1.353020
  C      -3.593624      6.280009      6.101882
  C      -3.724896      7.608382      5.325682
  C      -4.208097      7.405358      3.891740
  C      -5.641569      6.984503      3.716723
  N      -6.481261      7.117155      4.735892
  C      -7.788394      6.805403      4.516065
  N      -8.351025      6.414949      3.392799
  C      -7.502292      6.232249      2.334850
  C      -8.025279      5.759967      1.106690
  C      -7.180910      5.534266      0.038816
  C      -5.790328      5.767907      0.157679
  C      -5.257181      6.234353      1.342122
  C      -6.099642      6.483761      2.453325
  C      -5.889277      3.007871      6.924789
  C      -6.801312      4.213897      7.205668
  C      -8.281678      3.850940      7.294175
  C      -8.928869      3.462954      5.986130
  N      -8.208441      3.531109      4.877247
  C      -8.806922      3.175728      3.706102
  N     -10.044309      2.758501      3.531996
  C     -10.818421      2.691857      4.658906
  C     -12.164264      2.262129      4.547623
  C     -12.963716      2.187120      5.670279
  C     -12.452490      2.536407      6.941905
  C     -11.143645      2.956091      7.077849
  C     -10.298756      3.041666      5.943163
  H      -3.594210      0.885464      3.174094
  H      -4.692494      2.013803      4.005615
  H      -5.298828      0.032094      5.589318
  H      -4.676727     -0.991675      4.279527
  H      -7.094068     -0.652400      3.928952
  H      -6.927359      1.102142      4.159265
  H      -5.982780      3.010324      0.273680
  H      -5.399701     -0.942677     -2.010738
  H      -5.401479     -3.356067     -1.359715
  H      -5.800010     -4.013968      1.010384
  H      -6.199280     -2.292213      2.737231
  H      -4.597320      5.890085      6.310153
  H      -3.113086      6.492389      7.081712
  H      -2.740554      8.102666      5.278884
  H      -4.397035      8.277766      5.882998
  H      -4.057521      8.325749      3.299593
  H      -3.565045      6.641908      3.426932
  H      -8.444932      6.894750      5.387536
  H      -9.098490      5.569177      1.045847
  H      -7.584046      5.159312     -0.903449
  H      -5.132785      5.565268     -0.689079
  H      -4.181399      6.388766      1.428054
  H      -5.975724      2.288653      7.769093
  H      -6.281626      2.499844      6.027821
  H      -6.493146      4.695647      8.147625
  H      -6.651959      4.950193      6.402766
  H      -8.432942      3.027442      8.015173
  H      -8.853670      4.700987      7.706320
  H      -8.162182      3.222715      2.823408
  H     -12.537110      2.000339      3.556494
  H     -14.000879      1.857163      5.580139
  H     -13.099668      2.473469      7.818673
  H     -10.756930      3.224970      8.061212
  N      -2.663931      3.470433      3.275555
  N      -2.340810      3.656223      2.076523
  H      -1.799995      2.838144      1.719370
98
Coordinates from ORCA-job orca E -6258.442397371637
  N      -3.082587      1.314842      5.182160
  Mo     -3.468063      3.375866      4.906567
  N      -4.507621      3.344155      6.669503
  C      -3.642239      3.436517      7.837918
  C      -2.335597      2.687367      7.562365
  N      -1.735093      3.133133      6.249494
  C      -0.845235      2.092895      5.660489
  C      -1.689155      1.022078      4.926869
  C      -1.000742      4.436378      6.426681
  C      -1.454028      5.388649      5.324050
  N      -2.899772      5.280624      5.303888
  H      -1.443010      1.055031      3.845044
  H      -1.424713      0.011865      5.292974
  H      -0.198279      2.609649      4.940650
  H      -0.207854      1.667643      6.454433
  H      -1.102854      6.412871      5.543765
  H      -1.035655      5.084536      4.351238
  H      -1.300089      4.847844      7.400742
  H       0.084793      4.249937      6.453640
  H      -4.110981      2.967155      8.723966
  H      -3.429022      4.486856      8.129188
  H      -2.557926      1.620895      7.454339
  H      -1.585444      2.831294      8.360128
  C      -4.028556      1.041217      4.160180
  C      -5.087422     -0.016670      4.507033
  C      -6.418319      0.186125      3.749361
  C      -6.225077      0.415561      2.276246
  N      -6.225111      1.680480      1.865112
  C      -5.990364      1.915150      0.546423
  N      -5.764164      1.025207     -0.400860
  C      -5.769043     -0.284936     -0.006225
  C      -5.536030     -1.297858     -0.969621
  C      -5.527885     -2.625207     -0.591256
  C      -5.754195     -2.993451      0.756180
  C      -5.986949     -2.027163      1.714214
  C      -5.999684     -0.654993      1.356198
  C      -3.606403      6.260687      6.110388
  C      -3.747109      7.603082      5.359590
  C      -4.233843      7.429220      3.922951
  C      -5.666181      7.000394      3.750359
  N      -6.503436      7.138278      4.771114
  C      -7.810034      6.822378      4.557246
  N      -8.373530      6.419613      3.437929
  C      -7.527875      6.229814      2.379364
  C      -8.051967      5.743332      1.156099
  C      -7.211975      5.513007      0.086168
  C      -5.824395      5.756959      0.197073
  C      -5.288940      6.236057      1.377023
  C      -6.127046      6.489241      2.491197
  C      -5.884703      2.985772      6.907001
  C      -6.794953      4.187944      7.209134
  C      -8.276784      3.830689      7.294786
  C      -8.925893      3.460186      5.982581
  N      -8.199843      3.515733      4.878178
  C      -8.799795      3.178920      3.702161
  N     -10.045159      2.797783      3.517733
  C     -10.825097      2.747335      4.639870
  C     -12.179340      2.360408      4.516770
  C     -12.985284      2.303924      5.633539
  C     -12.472039      2.629102      6.910758
  C     -11.154841      3.007239      7.058274
  C     -10.303435      3.073907      5.929774
  H      -3.580601      0.860897      3.162626
  H      -4.678790      1.994195      3.987976
  H      -5.283290      0.029614      5.587619
  H      -4.661270     -1.008737      4.289529
  H      -7.077799     -0.675656      3.929644
  H      -6.914400      1.080543      4.151738
  H      -5.993169      2.969812      0.253806
  H      -5.365651     -0.992724     -2.003032
  H      -5.347917     -3.402458     -1.336496
  H      -5.746780     -4.048671      1.035658
  H      -6.164422     -2.318579      2.750101
  H      -4.607183      5.866562      6.326049
  H      -3.113312      6.458694      7.087457
  H      -2.767947      8.108615      5.324879
  H      -4.426653      8.253987      5.929857
  H      -4.100049      8.367364      3.355841
  H      -3.585746      6.686948      3.433174
  H      -8.464671      6.920581      5.429477
  H      -9.122559      5.545711      1.100598
  H      -7.616845      5.127799     -0.852071
  H      -5.169841      5.552632     -0.651189
  H      -4.215298      6.400111      1.455705
  H      -5.967587      2.252534      7.739765
  H      -6.281441      2.493110      6.003870
  H      -6.484519      4.655011      8.157585
  H      -6.643298      4.935123      6.416853
  H      -8.432343      3.000005      8.006590
  H      -8.843597      4.678609      7.717381
  H      -8.150791      3.213994      2.823440
  H     -12.553958      2.116882      3.521420
  H     -14.028983      2.008075      5.533972
  H     -13.124391      2.581767      7.782503
  H     -10.766851      3.259547      8.045819
  N      -2.649143      3.478882      3.259726
  N      -2.306015      3.701602      2.072562
  H      -1.813033      2.873685      1.672855
98
Coordinates from ORCA-job orca E -6258.443177004491
  N      -3.081218      1.311470      5.174894
  Mo     -3.459983      3.374956      4.887499
  N      -4.509678      3.351928      6.648319
  C      -3.649737      3.442985      7.819466
  C      -2.340164      2.695058      7.550868
  N      -1.733095      3.133398      6.238623
  C      -0.844142      2.085168      5.660554
  C      -1.687846      1.019290      4.918673
  C      -0.996319      4.436784      6.408763
  C      -1.447836      5.384844      5.301542
  N      -2.895788      5.281356      5.282888
  H      -1.442046      1.060005      3.837241
  H      -1.423020      0.006530      5.277855
  H      -0.183176      2.593729      4.947845
  H      -0.220381      1.655600      6.462982
  H      -1.092555      6.409295      5.514961
  H      -1.032342      5.073365      4.330369
  H      -1.291953      4.852918      7.382026
  H       0.090092      4.250356      6.433904
  H      -4.121485      2.971193      8.703293
  H      -3.437929      4.493229      8.114171
  H      -2.558640      1.626873      7.448607
  H      -1.594313      2.845640      8.351520
  C      -4.028964      1.036148      4.156205
  C      -5.103050     -0.003015      4.513728
  C      -6.427687      0.207308      3.749130
  C      -6.225728      0.422008      2.275231
  N      -6.211078      1.682817      1.854716
  C      -5.963917      1.905493      0.536179
  N      -5.736987      1.008161     -0.402837
  C      -5.758423     -0.298224      0.000960
  C      -5.527616     -1.319026     -0.953547
  C      -5.537815     -2.642891     -0.566332
  C      -5.780044     -2.999639      0.781692
  C      -6.009871     -2.025371      1.731650
  C      -6.004160     -0.656449      1.364454
  C      -3.589186      6.258433      6.103195
  C      -3.725959      7.610455      5.369007
  C      -4.221416      7.457880      3.932934
  C      -5.655753      7.029854      3.771282
  N      -6.488233      7.190635      4.793557
  C      -7.797367      6.879361      4.592491
  N      -8.368542      6.460476      3.483932
  C      -7.528981      6.248003      2.424850
  C      -8.062644      5.746419      1.212788
  C      -7.229505      5.493048      0.141768
  C      -5.839100      5.728377      0.240748
  C      -5.294194      6.222608      1.409195
  C      -6.125382      6.499826      2.524079
  C      -5.887427      2.994809      6.880615
  C      -6.802223      4.192970      7.189769
  C      -8.282905      3.828465      7.273079
  C      -8.933123      3.462772      5.959305
  N      -8.207459      3.528644      4.853538
  C      -8.807099      3.192026      3.677218
  N     -10.052417      2.802884      3.493104
  C     -10.832413      2.740035      4.617016
  C     -12.186045      2.337643      4.495882
  C     -12.990250      2.261781      5.615412
  C     -12.476265      2.583619      6.893089
  C     -11.159808      2.978440      7.038461
  C     -10.310161      3.064520      5.907412
  H      -3.582865      0.838678      3.161436
  H      -4.669540      1.994070      3.969891
  H      -5.302642      0.062601      5.592633
  H      -4.689462     -1.003862      4.313365
  H      -7.097927     -0.644563      3.933739
  H      -6.914604      1.111192      4.141543
  H      -5.954604      2.957384      0.236481
  H      -5.345180     -1.022599     -1.987672
  H      -5.360234     -3.426548     -1.304701
  H      -5.787430     -4.052350      1.067777
  H      -6.200522     -2.307921      2.767920
  H      -4.590886      5.870583      6.323720
  H      -3.086754      6.443493      7.077490
  H      -2.747793      8.117235      5.340410
  H      -4.405839      8.252874      5.948264
  H      -4.100300      8.408958      3.384092
  H      -3.575620      6.729141      3.421927
  H      -8.447227      6.998704      5.465919
  H      -9.134904      5.555190      1.166442
  H      -7.641996      5.096200     -0.787408
  H      -5.189454      5.506736     -0.607853
  H      -4.218752      6.381733      1.477701
  H      -5.971128      2.254144      7.706977
  H      -6.282671      2.509589      5.972755
  H      -6.494016      4.654696      8.141971
  H      -6.652656      4.945674      6.402025
  H      -8.431931      2.990646      7.978564
  H      -8.853936      4.669459      7.704198
  H      -8.157837      3.235841      2.797369
  H     -12.561342      2.095858      3.500335
  H     -14.033252      1.951815      5.517461
  H     -13.126805      2.519641      7.767575
  H     -10.771134      3.226577      8.026825
  N      -2.619119      3.474638      3.254953
  N      -2.239930      3.720810      2.086312
  H      -1.790962      2.885019      1.651169
98
Coordinates from ORCA-job orca E -6258.443750406876
  N      -3.065154      1.311186      5.148983
  Mo     -3.454845      3.373308      4.868787
  N      -4.507254      3.338586      6.630132
  C      -3.649356      3.423954      7.802074
  C      -2.333646      2.689150      7.529282
  N      -1.729070      3.136401      6.220116
  C      -0.834045      2.094061      5.640483
  C      -1.670416      1.032525      4.884523
  C      -0.999871      4.443240      6.394715
  C      -1.457864      5.392868      5.292135
  N      -2.906439      5.282488      5.274029
  H      -1.429448      1.090716      3.802820
  H      -1.396788      0.016672      5.228203
  H      -0.166920      2.607374      4.937046
  H      -0.217067      1.658842      6.444995
  H      -1.108336      6.418455      5.508695
  H      -1.042636      5.087427      4.319333
  H      -1.295189      4.852928      7.370753
  H       0.087430      4.264312      6.417084
  H      -4.117878      2.939750      8.680795
  H      -3.445420      4.472273      8.109026
  H      -2.541776      1.619486      7.423516
  H      -1.590428      2.843438      8.331718
  C      -4.014859      1.033750      4.133773
  C      -5.089988     -0.001266      4.496824
  C      -6.413830      0.199907      3.727749
  C      -6.214503      0.394947      2.249953
  N      -6.215144      1.651052      1.809638
  C      -5.971293      1.856393      0.487446
  N      -5.732110      0.946856     -0.438122
  C      -5.738141     -0.354980     -0.014542
  C      -5.493744     -1.388655     -0.953968
  C      -5.488848     -2.707926     -0.546816
  C      -5.729444     -3.047193      0.806582
  C      -5.972140     -2.060116      1.742288
  C      -5.981540     -0.695456      1.354725
  C      -3.594441      6.247018      6.115790
  C      -3.733349      7.610004      5.403044
  C      -4.239753      7.473670      3.969503
  C      -5.674553      7.042129      3.818355
  N      -6.505486      7.228480      4.838216
  C      -7.819028      6.927023      4.643870
  N      -8.396940      6.494425      3.543408
  C      -7.559359      6.256393      2.487589
  C      -8.101713      5.744168      1.283160
  C      -7.271478      5.466512      0.215023
  C      -5.875493      5.687685      0.309834
  C      -5.322997      6.193404      1.469910
  C      -6.150541      6.494754      2.581741
  C      -5.885730      2.984514      6.860168
  C      -6.798277      4.180510      7.183028
  C      -8.279901      3.819732      7.262001
  C      -8.932460      3.468531      5.945672
  N      -8.204016      3.521990      4.841500
  C      -8.806614      3.198807      3.663685
  N     -10.057837      2.836420      3.474923
  C     -10.840419      2.788552      4.596566
  C     -12.200755      2.417916      4.470526
  C     -13.008210      2.357485      5.587434
  C     -12.490750      2.662947      6.867422
  C     -11.167742      3.026736      7.017558
  C     -10.314953      3.097707      5.889117
  H      -3.571635      0.831903      3.138311
  H      -4.654090      1.992610      3.943530
  H      -5.292627      0.074918      5.574441
  H      -4.675150     -1.003882      4.308412
  H      -7.082480     -0.651010      3.923307
  H      -6.902615      1.108118      4.107940
  H      -5.975876      2.905224      0.171754
  H      -5.313151     -1.105576     -1.992631
  H      -5.300592     -3.501683     -1.273451
  H      -5.724953     -4.096580      1.108176
  H      -6.160893     -2.329007      2.782978
  H      -4.595548      5.857908      6.336962
  H      -3.086437      6.417820      7.089414
  H      -2.756642      8.119054      5.375944
  H      -4.412002      8.242534      5.994239
  H      -4.132086      8.434396      3.434465
  H      -3.595278      6.757171      3.441054
  H      -8.467085      7.069660      5.515352
  H      -9.179066      5.565544      1.239763
  H      -7.690634      5.062271     -0.708368
  H      -5.228406      5.448519     -0.536565
  H      -4.244011      6.343631      1.534178
  H      -5.970864      2.234629      7.678069
  H      -6.283160      2.511458      5.947381
  H      -6.489375      4.630791      8.140059
  H      -6.646595      4.941145      6.403698
  H      -8.431635      2.975966      7.959217
  H      -8.846919      4.658367      7.702010
  H      -8.155750      3.230395      2.785902
  H     -12.578577      2.188001      3.473403
  H     -14.056270      2.072511      5.485645
  H     -13.143583      2.611339      7.739838
  H     -10.776533      3.263052      8.007586
  N      -2.599808      3.488734      3.242929
  N      -2.194068      3.755924      2.088425
  H      -1.778818      2.918495      1.626237
98
Coordinates from ORCA-job orca E -6258.444248187353
  N      -3.047161      1.316873      5.121467
  Mo     -3.449683      3.376086      4.850918
  N      -4.504869      3.327684      6.613281
  C      -3.649756      3.407817      7.786785
  C      -2.326645      2.687654      7.509295
  N      -1.724758      3.144393      6.202721
  C      -0.822952      2.108496      5.620899
  C      -1.651005      1.052963      4.848404
  C      -1.004137      4.455161      6.382919
  C      -1.467371      5.407091      5.284874
  N      -2.916732      5.289412      5.265092
  H      -1.414835      1.131037      3.767049
  H      -1.368405      0.033717      5.174479
  H      -0.148214      2.627421      4.928964
  H      -0.214271      1.665888      6.427645
  H      -1.124668      6.433908      5.505992
  H      -1.050143      5.109486      4.310732
  H      -1.301574      4.857820      7.361258
  H       0.084208      4.283756      6.404626
  H      -4.114630      2.908840      8.659467
  H      -3.455458      4.453898      8.108378
  H      -2.523488      1.616237      7.400604
  H      -1.586377      2.846414      8.313693
  C      -4.000121      1.036619      4.111186
  C      -5.076419      0.006465      4.484010
  C      -6.400319      0.201682      3.714863
  C      -6.202294      0.377957      2.235010
  N      -6.197543      1.628665      1.780445
  C      -5.953004      1.817228      0.456276
  N      -5.717530      0.897101     -0.458768
  C      -5.731206     -0.399472     -0.020609
  C      -5.494258     -1.444208     -0.948437
  C      -5.499170     -2.758570     -0.527005
  C      -5.741851     -3.081509      0.829793
  C      -5.976526     -2.083313      1.754575
  C      -5.976055     -0.723216      1.352231
  C      -3.602244      6.240462      6.125362
  C      -3.739159      7.619061      5.442214
  C      -4.252244      7.515582      4.008239
  C      -5.683567      7.071310      3.856465
  N      -6.517428      7.268086      4.871904
  C      -7.826550      6.954133      4.680725
  N      -8.398189      6.497223      3.586462
  C      -7.557751      6.249902      2.535288
  C      -8.094419      5.716483      1.337373
  C      -7.263347      5.433398      0.272483
  C      -5.871446      5.667819      0.364947
  C      -5.323449      6.190722      1.519535
  C      -6.152816      6.501031      2.627507
  C      -5.884385      2.975096      6.838067
  C      -6.799038      4.170125      7.161300
  C      -8.280452      3.808210      7.242133
  C      -8.937126      3.455875      5.928103
  N      -8.207515      3.488006      4.823795
  C      -8.814805      3.165695      3.648380
  N     -10.072622      2.825079      3.460799
  C     -10.856244      2.799285      4.582200
  C     -12.223545      2.453787      4.457649
  C     -13.032142      2.415435      5.574432
  C     -12.509000      2.718827      6.852871
  C     -11.179448      3.059144      7.001354
  C     -10.325347      3.107612      5.872929
  H      -3.561884      0.828955      3.114787
  H      -4.637271      1.997426      3.916303
  H      -5.278434      0.094088      5.560957
  H      -4.663040     -0.998732      4.306369
  H      -7.070517     -0.645611      3.921472
  H      -6.886698      1.115328      4.084539
  H      -5.951755      2.861950      0.129118
  H      -5.312417     -1.173406     -1.989745
  H      -5.317495     -3.561003     -1.244592
  H      -5.745548     -4.127355      1.142457
  H      -6.167764     -2.339365      2.797695
  H      -4.604540      5.850261      6.339745
  H      -3.094461      6.391805      7.102070
  H      -2.762782      8.129107      5.423759
  H      -4.417569      8.237262      6.048513
  H      -4.163812      8.493337      3.501867
  H      -3.602806      6.824078      3.454622
  H      -8.477436      7.109588      5.547991
  H      -9.167708      5.526264      1.296909
  H      -7.678693      5.013989     -0.646179
  H      -5.223815      5.425452     -0.479319
  H      -4.247410      6.350064      1.581270
  H      -5.973206      2.222152      7.652995
  H      -6.279099      2.505704      5.921992
  H      -6.489483      4.620853      8.118196
  H      -6.649976      4.931410      6.381673
  H      -8.430310      2.964508      7.940368
  H      -8.846388      4.646787      7.683433
  H      -8.163741      3.181425      2.770143
  H     -12.605515      2.224930      3.461680
  H     -14.085428      2.149801      5.473813
  H     -13.162533      2.684584      7.725444
  H     -10.784040      3.294452      7.990076
  N      -2.583007      3.507472      3.230523
  N      -2.146696      3.793487      2.092489
  H      -1.767227      2.952696      1.604364
98
Coordinates from ORCA-job orca E -6258.444685144988
  N      -3.035080      1.325642      5.090382
  Mo     -3.448550      3.382144      4.835193
  N      -4.500782      3.317411      6.600057
  C      -3.644715      3.388471      7.773356
  C      -2.316553      2.681214      7.484986
  N      -1.721085      3.151289      6.179783
  C      -0.814573      2.123034      5.589699
  C      -1.638507      1.074543      4.804597
  C      -1.006730      4.465196      6.368028
  C      -1.476639      5.422375      5.277947
  N      -2.926695      5.298357      5.261410
  H      -1.410268      1.171674      3.723350
  H      -1.347734      0.052014      5.112536
  H      -0.137267      2.649593      4.906309
  H      -0.209251      1.673060      6.394821
  H      -1.139698      6.449798      5.505179
  H      -1.060531      5.134982      4.300384
  H      -1.305386      4.858782      7.349733
  H       0.082357      4.298520      6.387611
  H      -4.104786      2.873971      8.639910
  H      -3.457694      4.431235      8.111058
  H      -2.505442      1.609008      7.369428
  H      -1.575486      2.839434      8.288886
  C      -3.992976      1.044670      4.084694
  C      -5.066315      0.015089      4.466697
  C      -6.392018      0.201561      3.699856
  C      -6.194834      0.360579      2.218613
  N      -6.189179      1.605216      1.749212
  C      -5.940982      1.776131      0.423061
  N      -5.702609      0.845233     -0.480363
  C      -5.718136     -0.445290     -0.026243
  C      -5.478612     -1.501473     -0.940389
  C      -5.485634     -2.810130     -0.502862
  C      -5.732817     -3.115826      0.857209
  C      -5.969464     -2.106184      1.768785
  C      -5.966960     -0.751402      1.349655
  C      -3.608566      6.235285      6.140606
  C      -3.742117      7.624745      5.479944
  C      -4.266639      7.542720      4.048659
  C      -5.697592      7.096304      3.902636
  N      -6.532776      7.323631      4.910535
  C      -7.843044      7.012059      4.724992
  N      -8.414750      6.530843      3.641765
  C      -7.572538      6.253335      2.598980
  C      -8.110820      5.697192      1.413199
  C      -7.279561      5.383298      0.357174
  C      -5.885224      5.606374      0.447652
  C      -5.335499      6.150443      1.590173
  C      -6.165819      6.496139      2.687995
  C      -5.881955      2.967935      6.820290
  C      -6.796656      4.163521      7.141030
  C      -8.278195      3.802786      7.221613
  C      -8.935148      3.456252      5.906739
  N      -8.201335      3.475722      4.804413
  C      -8.809007      3.160742      3.627781
  N     -10.071563      2.839428      3.436093
  C     -10.858819      2.826119      4.555186
  C     -12.230970      2.501619      4.426693
  C     -13.043801      2.475987      5.540873
  C     -12.520260      2.771407      6.821080
  C     -11.186348      3.091439      6.973371
  C     -10.327779      3.127180      5.847408
  H      -3.560579      0.835203      3.086320
  H      -4.629009      2.007434      3.888255
  H      -5.265567      0.109475      5.543661
  H      -4.651028     -0.990450      4.295033
  H      -7.060518     -0.644427      3.917081
  H      -6.878864      1.118435      4.060688
  H      -5.937622      2.815930      0.083105
  H      -5.293293     -1.243657     -1.984351
  H      -5.302109     -3.621568     -1.209890
  H      -5.738315     -4.157533      1.182699
  H      -6.164390     -2.348713      2.814438
  H      -4.611718      5.844198      6.349785
  H      -3.099771      6.368863      7.119006
  H      -2.763106      8.129795      5.459908
  H      -4.412514      8.237333      6.100845
  H      -4.188304      8.529876      3.558477
  H      -3.618697      6.863715      3.478784
  H      -8.495379      7.193580      5.586170
  H      -9.185334      5.514132      1.376015
  H      -7.696220      4.946799     -0.552131
  H      -5.237518      5.338430     -0.389577
  H      -4.257542      6.299282      1.650025
  H      -5.976193      2.214431      7.634209
  H      -6.273442      2.499844      5.902010
  H      -6.486565      4.615668      8.097159
  H      -6.649187      4.924401      6.360718
  H      -8.429139      2.957524      7.917854
  H      -8.842977      4.640924      7.665355
  H      -8.154921      3.167615      2.751061
  H     -12.612870      2.278355      3.429500
  H     -14.100765      2.226873      5.437226
  H     -13.177049      2.747253      7.691746
  H     -10.790741      3.320783      7.963312
  N      -2.583509      3.526582      3.218024
  N      -2.132752      3.818373      2.086012
  H      -1.768084      2.981436      1.585435
98
Coordinates from ORCA-job orca E -6258.445149310175
  N      -3.016249      1.344060      5.042263
  Mo     -3.450103      3.393991      4.820824
  N      -4.496551      3.293744      6.586816
  C      -3.641601      3.350268      7.761276
  C      -2.304700      2.665167      7.457061
  N      -1.718607      3.161658      6.156926
  C      -0.802975      2.149659      5.551053
  C      -1.618336      1.111972      4.744474
  C      -1.016771      4.480225      6.363475
  C      -1.494942      5.448669      5.286744
  N      -2.945030      5.313125      5.268565
  H      -1.396595      1.237425      3.665170
  H      -1.317494      0.085147      5.026633
  H      -0.124383      2.692000      4.881611
  H      -0.200399      1.687848      6.351255
  H      -1.168903      6.476221      5.528561
  H      -1.075904      5.181574      4.304612
  H      -1.322047      4.857297      7.349481
  H       0.073702      4.322097      6.383362
  H      -4.095196      2.810168      8.616178
  H      -3.467824      4.387285      8.124010
  H      -2.480881      1.592391      7.326794
  H      -1.563819      2.820284      8.261396
  C      -3.979164      1.065227      4.039863
  C      -5.045367      0.032088      4.430569
  C      -6.376091      0.204387      3.670038
  C      -6.187175      0.336177      2.185928
  N      -6.193217      1.571106      1.691411
  C      -5.954840      1.714289      0.360781
  N      -5.717326      0.766365     -0.524897
  C      -5.722280     -0.514445     -0.044358
  C      -5.484140     -1.588123     -0.938058
  C      -5.481911     -2.887468     -0.473991
  C      -5.718764     -3.165888      0.893172
  C      -5.953783     -2.138753      1.784944
  C      -5.960088     -0.792717      1.338411
  C      -3.631886      6.226593      6.168918
  C      -3.764095      7.633221      5.546913
  C      -4.289937      7.590424      4.113608
  C      -5.712417      7.122596      3.951575
  N      -6.564020      7.357578      4.943281
  C      -7.868183      7.032458      4.741914
  N      -8.420625      6.533025      3.655100
  C      -7.561457      6.251685      2.627967
  C      -8.080313      5.685153      1.437492
  C      -7.231235      5.363349      0.398728
  C      -5.838972      5.588847      0.512079
  C      -5.309263      6.145971      1.657864
  C      -6.157191      6.501325      2.738310
  C      -5.881100      2.952266      6.799524
  C      -6.791210      4.153937      7.108334
  C      -8.273721      3.800882      7.199520
  C      -8.942108      3.449468      5.892218
  N      -8.211709      3.430726      4.787146
  C      -8.830661      3.106815      3.618926
  N     -10.102098      2.812108      3.436914
  C     -10.885691      2.838848      4.558050
  C     -12.266678      2.543382      4.440165
  C     -13.075997      2.555927      5.557334
  C     -12.540213      2.861427      6.830791
  C     -11.198030      3.153797      6.972700
  C     -10.342534      3.150920      5.842938
  H      -3.553662      0.858858      3.038412
  H      -4.613714      2.031014      3.847605
  H      -5.239257      0.129898      5.508054
  H      -4.624418     -0.971594      4.261802
  H      -7.039843     -0.640036      3.906055
  H      -6.864044      1.124901      4.019345
  H      -5.961068      2.746218     -0.001490
  H      -5.307401     -1.350881     -1.987798
  H      -5.299435     -3.712524     -1.165231
  H      -5.717509     -4.200592      1.239891
  H      -6.140990     -2.360195      2.836103
  H      -4.636301      5.828823      6.359582
  H      -3.131540      6.332386      7.154660
  H      -2.783679      8.136267      5.535851
  H      -4.431087      8.229885      6.186452
  H      -4.232676      8.596302      3.660128
  H      -3.628271      6.945384      3.521294
  H      -8.533844      7.217037      5.591331
  H      -9.154421      5.500031      1.384238
  H      -7.632525      4.918955     -0.514265
  H      -5.177761      5.314321     -0.312138
  H      -4.233248      6.297582      1.733054
  H      -5.984945      2.205077      7.617851
  H      -6.268860      2.480080      5.881816
  H      -6.475801      4.615707      8.057902
  H      -6.646803      4.906778      6.319841
  H      -8.424853      2.961563      7.903081
  H      -8.831206      4.644520      7.640520
  H      -8.179498      3.078427      2.741415
  H     -12.657267      2.310697      3.448154
  H     -14.139634      2.329347      5.462009
  H     -13.194364      2.866958      7.704140
  H     -10.792949      3.390557      7.957314
  N      -2.578596      3.557506      3.211634
  N      -2.099732      3.844635      2.091124
  H      -1.751702      2.997474      1.593025
98
Coordinates from ORCA-job orca E -6258.445584750315
  N      -3.001333      1.371031      4.993477
  Mo     -3.451902      3.417249      4.807689
  N      -4.486801      3.280322      6.575448
  C      -3.628523      3.321779      7.747968
  C      -2.286055      2.656377      7.424469
  N      -1.712754      3.179202      6.128210
  C      -0.791294      2.182854      5.503170
  C      -1.603402      1.154901      4.681162
  C      -1.020462      4.500793      6.352213
  C      -1.510874      5.480998      5.291916
  N      -2.961031      5.335508      5.279530
  H      -1.390414      1.304940      3.603507
  H      -1.293117      0.124691      4.939537
  H      -0.116638      2.740084      4.842099
  H      -0.185591      1.711270      6.295226
  H      -1.191300      6.507552      5.546859
  H      -1.096168      5.232375      4.303381
  H      -1.326970      4.861011      7.344200
  H       0.071075      4.350152      6.367167
  H      -4.073378      2.759560      8.593250
  H      -3.463644      4.353114      8.130982
  H      -2.452736      1.584207      7.277895
  H      -1.541386      2.805972      8.226176
  C      -3.970755      1.096597      3.994964
  C      -5.028561      0.058578      4.393115
  C      -6.364463      0.214924      3.637691
  C      -6.186938      0.312870      2.149426
  N      -6.200962      1.535712      1.624779
  C      -5.972966      1.647727      0.289013
  N      -5.738239      0.679515     -0.575635
  C      -5.735344     -0.589935     -0.063961
  C      -5.500368     -1.684295     -0.933628
  C      -5.492262     -2.972539     -0.438399
  C      -5.720126     -3.218909      0.936907
  C      -5.951394     -2.171170      1.805694
  C      -5.962940     -0.835619      1.327162
  C      -3.646487      6.226754      6.203393
  C      -3.780614      7.646816      5.614819
  C      -4.312757      7.631516      4.182607
  C      -5.730219      7.148821      4.020652
  N      -6.588873      7.406143      5.000930
  C      -7.889600      7.067904      4.801807
  N      -8.433194      6.538534      3.724575
  C      -7.566480      6.233710      2.710504
  C      -8.074785      5.633544      1.532454
  C      -7.217086      5.282512      0.510186
  C      -5.826743      5.510407      0.628843
  C      -5.307484      6.102351      1.760986
  C      -6.163774      6.490381      2.823384
  C      -5.873197      2.940492      6.782979
  C      -6.782782      4.145044      7.080497
  C      -8.267349      3.798509      7.169359
  C      -8.934772      3.450749      5.860856
  N      -8.198476      3.409570      4.759730
  C      -8.817061      3.088960      3.590931
  N     -10.093798      2.819873      3.404007
  C     -10.883107      2.870664      4.520242
  C     -12.269335      2.602639      4.396815
  C     -13.084710      2.638882      5.509220
  C     -12.549949      2.941942      6.783539
  C     -11.203030      3.208190      6.930785
  C     -10.340930      3.180253      5.805951
  H      -3.551938      0.895434      2.989736
  H      -4.603927      2.064851      3.809035
  H      -5.218006      0.159484      5.471072
  H      -4.599915     -0.942310      4.227241
  H      -7.024820     -0.625781      3.896430
  H      -6.851409      1.141455      3.972261
  H      -5.985649      2.670998     -0.098731
  H      -5.331208     -1.471591     -1.990464
  H      -5.312502     -3.813459     -1.111166
  H      -5.714941     -4.245259      1.308345
  H      -6.132410     -2.368199      2.863313
  H      -4.650087      5.823722      6.384797
  H      -3.145237      6.306690      7.191020
  H      -2.799480      8.148747      5.606971
  H      -4.441801      8.231275      6.271276
  H      -4.272266      8.649325      3.754313
  H      -3.643641      7.010595      3.574073
  H      -8.561489      7.270508      5.642410
  H      -9.147654      5.445748      1.476926
  H      -7.610239      4.812121     -0.392838
  H      -5.158263      5.209923     -0.180501
  H      -4.232649      6.254905      1.839076
  H      -5.982955      2.198080      7.604639
  H      -6.256582      2.463832      5.865818
  H      -6.468028      4.613686      8.026905
  H      -6.636823      4.892357      6.287297
  H      -8.424347      2.960346      7.873024
  H      -8.821662      4.645566      7.608596
  H      -8.161301      3.040077      2.716936
  H     -12.658443      2.371071      3.404271
  H     -14.152414      2.433320      5.409918
  H     -13.209087      2.966519      7.652989
  H     -10.798724      3.442870      7.915947
  N      -2.581057      3.600532      3.195046
  N      -2.090877      3.879814      2.076680
  H      -1.745566      3.026801      1.588050
98
Coordinates from ORCA-job orca E -6258.446022592425
  N      -2.988921      1.394615      4.943870
  Mo     -3.456521      3.438557      4.792273
  N      -4.476375      3.264098      6.563440
  C      -3.612986      3.293687      7.732125
  C      -2.265806      2.648038      7.388584
  N      -1.707353      3.196232      6.095017
  C      -0.781591      2.216025      5.449516
  C      -1.591793      1.194768      4.616844
  C      -1.025086      4.520962      6.333040
  C      -1.531795      5.511186      5.289979
  N      -2.981023      5.355330      5.287743
  H      -1.387044      1.366201      3.541034
  H      -1.270911      0.162956      4.854376
  H      -0.114670      2.787933      4.793143
  H      -0.168342      1.737777      6.231606
  H      -1.216287      6.536265      5.556342
  H      -1.124737      5.279047      4.294352
  H      -1.329110      4.865455      7.331505
  H       0.067682      4.378729      6.339303
  H      -4.047072      2.711820      8.569801
  H      -3.455647      4.320351      8.130472
  H      -2.422612      1.576701      7.226101
  H      -1.515371      2.793675      8.185356
  C      -3.965170      1.124474      3.949696
  C      -5.013077      0.081575      4.358612
  C      -6.355676      0.219557      3.611794
  C      -6.192535      0.287193      2.120405
  N      -6.222334      1.496383      1.566905
  C      -6.007759      1.578916      0.226701
  N      -5.770282      0.593020     -0.616374
  C      -5.750943     -0.663564     -0.074791
  C      -5.512357     -1.775800     -0.920036
  C      -5.489493     -3.051549     -0.394799
  C      -5.705928     -3.267458      0.987278
  C      -5.939783     -2.201897      1.832688
  C      -5.965681     -0.878322      1.323236
  C      -3.664023      6.219256      6.238550
  C      -3.805766      7.654282      5.691870
  C      -4.339537      7.676143      4.259649
  C      -5.747216      7.169529      4.089665
  N      -6.618204      7.437685      5.056247
  C      -7.914010      7.084862      4.850356
  N      -8.443168      6.538198      3.774757
  C      -7.563948      6.220880      2.776283
  C      -8.056756      5.602648      1.601201
  C      -7.185411      5.230775      0.598899
  C      -5.795891      5.454180      0.735235
  C      -5.291762      6.070651      1.861187
  C      -6.162574      6.483145      2.902085
  C      -5.863466      2.922829      6.768321
  C      -6.773550      4.130795      7.049539
  C      -8.260423      3.792076      7.140648
  C      -8.929912      3.443011      5.833321
  N      -8.189877      3.374822      4.735932
  C      -8.810347      3.055212      3.567776
  N     -10.092357      2.816966      3.377319
  C     -10.885433      2.897945      4.489142
  C     -12.276887      2.665273      4.360704
  C     -13.096380      2.732441      5.468361
  C     -12.560541      3.032739      6.742681
  C     -11.208562      3.265433      6.894687
  C     -10.342004      3.205406      5.774739
  H      -3.552746      0.927929      2.941208
  H      -4.598794      2.093926      3.767774
  H      -5.194585      0.186748      5.437524
  H      -4.576447     -0.916397      4.195411
  H      -7.010746     -0.618378      3.892567
  H      -6.842665      1.150052      3.934950
  H      -6.033416      2.592365     -0.186144
  H      -5.352878     -1.586774     -1.982851
  H      -5.307010     -3.906196     -1.048885
  H      -5.689561     -4.284451      1.382735
  H      -6.112098     -2.376064      2.895659
  H      -4.664910      5.807060      6.412419
  H      -3.159299      6.270216      7.226574
  H      -2.826679      8.160497      5.695258
  H      -4.465927      8.218921      6.366270
  H      -4.322208      8.709311      3.868562
  H      -3.656942      7.092143      3.631369
  H      -8.596506      7.295701      5.680406
  H      -9.129336      5.416903      1.532995
  H      -7.567123      4.745257     -0.301009
  H      -5.115496      5.132229     -0.054965
  H      -4.216957      6.222229      1.950249
  H      -5.975591      2.188563      7.596710
  H      -6.243468      2.436526      5.854661
  H      -6.458073      4.612387      7.989475
  H      -6.626410      4.867594      6.246567
  H      -8.423029      2.957618      7.847776
  H      -8.809894      4.644451      7.576355
  H      -8.151160      2.983340      2.696379
  H     -12.666424      2.435191      3.368137
  H     -14.168089      2.554220      5.365458
  H     -13.223411      3.082412      7.607992
  H     -10.803386      3.498520      7.879755
  N      -2.593880      3.641404      3.178006
  N      -2.098729      3.910081      2.058637
  H      -1.747737      3.052966      1.583150
98
Coordinates from ORCA-job orca E -6258.446490024961
  N      -2.984730      1.413292      4.897698
  Mo     -3.463504      3.459346      4.773495
  N      -4.470310      3.251581      6.546828
  C      -3.602377      3.269149      7.711714
  C      -2.252420      2.639308      7.351658
  N      -1.706033      3.209349      6.061567
  C      -0.778696      2.242062      5.399006
  C      -1.589042      1.225412      4.559340
  C      -1.030709      4.535076      6.310781
  C      -1.552312      5.534534      5.283642
  N      -3.000886      5.372116      5.290977
  H      -1.389775      1.412181      3.485080
  H      -1.259970      0.192806      4.781700
  H      -0.119145      2.824752      4.744386
  H      -0.157545      1.758933      6.171849
  H      -1.236163      6.557222      5.558939
  H      -1.154508      5.313771      4.281858
  H      -1.328051      4.866235      7.315832
  H       0.063005      4.400481      6.306325
  H      -4.027428      2.671726      8.542622
  H      -3.449086      4.291674      8.121447
  H      -2.401467      1.569330      7.174074
  H      -1.496809      2.780736      8.144091
  C      -3.966268      1.149104      3.906341
  C      -5.008794      0.105006      4.323519
  C      -6.352537      0.227419      3.577695
  C      -6.196509      0.265598      2.084896
  N      -6.242030      1.461655      1.506214
  C      -6.035322      1.519190      0.163679
  N      -5.788438      0.518701     -0.659045
  C      -5.751775     -0.725963     -0.091594
  C      -5.501007     -1.852667     -0.913866
  C      -5.460953     -3.116559     -0.362162
  C      -5.672104     -3.306008      1.024398
  C      -5.917441     -2.225849      1.847921
  C      -5.960225     -0.913972      1.311285
  C      -3.677125      6.211888      6.267670
  C      -3.829967      7.660389      5.762469
  C      -4.370264      7.723724      4.332838
  C      -5.766801      7.190095      4.155776
  N      -6.654015      7.467288      5.106636
  C      -7.943262      7.095806      4.891769
  N      -8.452724      6.529436      3.817281
  C      -7.557128      6.200710      2.837026
  C      -8.027144      5.561094      1.663906
  C      -7.136171      5.166218      0.686950
  C      -5.749042      5.389363      0.846042
  C      -5.266989      6.035437      1.965919
  C      -6.158361      6.472567      2.979603
  C      -5.857872      2.910458      6.752177
  C      -6.766212      4.123743      7.013178
  C      -8.255271      3.795952      7.112880
  C      -8.932752      3.437725      5.811431
  N      -8.194549      3.330786      4.716735
  C      -8.822526      3.005425      3.553300
  N     -10.109818      2.799112      3.365448
  C     -10.901285      2.920751      4.474927
  C     -12.298001      2.723660      4.348250
  C     -13.115672      2.829559      5.454141
  C     -12.572572      3.134951      6.724192
  C     -11.214994      3.334451      6.874165
  C     -10.350310      3.234433      5.756119
  H      -3.557045      0.953818      2.896262
  H      -4.597946      2.119776      3.724320
  H      -5.188751      0.217669      5.401814
  H      -4.565165     -0.891270      4.168210
  H      -7.006353     -0.605261      3.876362
  H      -6.838779      1.163185      3.886261
  H      -6.076301      2.523269     -0.270911
  H      -5.346377     -1.684570     -1.980817
  H      -5.268671     -3.982356     -0.998791
  H      -5.642190     -4.314061      1.441152
  H      -6.084813     -2.380313      2.914578
  H      -4.673839      5.790534      6.441478
  H      -3.162969      6.238533      7.251915
  H      -2.854761      8.173576      5.778424
  H      -4.490557      8.202010      6.454868
  H      -4.380722      8.772081      3.985256
  H      -3.676403      7.182874      3.679922
  H      -8.638973      7.312334      5.709865
  H      -9.098179      5.374356      1.578121
  H      -7.501191      4.661564     -0.209524
  H      -5.051169      5.043937      0.081259
  H      -4.193509      6.190513      2.070707
  H      -5.969991      2.187608      7.590104
  H      -6.237743      2.411949      5.845205
  H      -6.447484      4.623207      7.942681
  H      -6.616796      4.843882      6.195055
  H      -8.422667      2.969710      7.828858
  H      -8.795696      4.657043      7.541656
  H      -8.164308      2.899480      2.684535
  H     -12.693142      2.488390      3.358837
  H     -14.191466      2.677968      5.352946
  H     -13.234510      3.215107      7.587898
  H     -10.804068      3.571606      7.856153
  N      -2.603195      3.676254      3.159552
  N      -2.106081      3.932333      2.038779
  H      -1.750008      3.070131      1.575414
98
Coordinates from ORCA-job orca E -6258.446933986029
  N      -2.985344      1.427765      4.859584
  Mo     -3.469356      3.479698      4.752528
  N      -4.468845      3.246701      6.527208
  C      -3.597832      3.254126      7.689327
  C      -2.246488      2.634909      7.318491
  N      -1.707123      3.220330      6.032035
  C      -0.780121      2.261859      5.357641
  C      -1.591065      1.247832      4.513926
  C      -1.035604      4.545289      6.289190
  C      -1.567355      5.552581      5.274369
  N      -3.015764      5.387486      5.287931
  H      -1.394328      1.442763      3.440630
  H      -1.256407      0.215196      4.727824
  H      -0.125847      2.850848      4.703147
  H      -0.152699      1.775506      6.123376
  H      -1.248227      6.572498      5.556145
  H      -1.176493      5.338256      4.268580
  H      -1.324695      4.866189      7.299931
  H       0.058586      4.416770      6.274931
  H      -4.017009      2.645894      8.514775
  H      -3.446214      4.273099      8.107661
  H      -2.389955      1.566323      7.129291
  H      -1.488059      2.772823      8.108680
  C      -3.970511      1.169356      3.869796
  C      -5.011384      0.126764      4.292726
  C      -6.352481      0.236504      3.542348
  C      -6.196997      0.250930      2.049078
  N      -6.255529      1.435748      1.449068
  C      -6.050457      1.471721      0.105612
  N      -5.791502      0.459723     -0.698389
  C      -5.741296     -0.774015     -0.109279
  C      -5.477315     -1.911942     -0.910978
  C      -5.424074     -3.165131     -0.337003
  C      -5.634813     -3.332352      1.052103
  C      -5.892805     -2.240580      1.856027
  C      -5.948918     -0.939524      1.296392
  C      -3.681885      6.209410      6.286335
  C      -3.837786      7.668043      5.815422
  C      -4.388230      7.767095      4.390975
  C      -5.775753      7.211631      4.214000
  N      -6.674194      7.503686      5.150756
  C      -7.957876      7.114974      4.933875
  N      -8.453229      6.525363      3.865752
  C      -7.546356      6.180378      2.902203
  C      -7.999981      5.517444      1.735946
  C      -7.095121      5.095028      0.783899
  C      -5.709110      5.313642      0.960761
  C      -5.242219      5.990182      2.069860
  C      -6.149159      6.458251      3.055704
  C      -5.856386      2.904409      6.735104
  C      -6.766210      4.121027      6.974582
  C      -8.256408      3.800754      7.082563
  C      -8.943257      3.431825      5.788500
  N      -8.210100      3.288516      4.695150
  C      -8.847916      2.956250      3.538127
  N     -10.139352      2.776934      3.356054
  C     -10.925855      2.935277      4.465124
  C     -12.326681      2.767960      4.343789
  C     -13.139133      2.908930      5.449847
  C     -12.586354      3.220707      6.713887
  C     -11.224027      3.392366      6.858255
  C     -10.364876      3.256939      5.739999
  H      -3.562032      0.971755      2.859603
  H      -4.599196      2.140554      3.682969
  H      -5.194542      0.249187      5.369326
  H      -4.562177     -0.868846      4.149145
  H      -7.007274     -0.591124      3.853040
  H      -6.838973      1.176590      3.836069
  H      -6.104110      2.466611     -0.348030
  H      -5.323663     -1.761616     -1.980459
  H      -5.221552     -4.039562     -0.958009
  H      -5.594515     -4.332257      1.486731
  H      -6.059272     -2.378331      2.924928
  H      -4.676217      5.784489      6.463440
  H      -3.157237      6.217726      7.265412
  H      -2.864786      8.184461      5.841984
  H      -4.497728      8.191872      6.522159
  H      -4.423997      8.826789      4.082152
  H      -3.690183      7.263993      3.713464
  H      -8.661922      7.340226      5.742049
  H      -9.070423      5.332646      1.635768
  H      -7.449255      4.570839     -0.105917
  H      -4.998515      4.942110      0.221304
  H      -4.169748      6.145325      2.187490
  H      -5.965770      2.193957      7.583373
  H      -6.236539      2.391807      5.836220
  H      -6.446699      4.639457      7.893212
  H      -6.614344      4.823255      6.141293
  H      -8.425866      2.982486      7.807247
  H      -8.788810      4.669415      7.505099
  H      -8.193701      2.820133      2.670405
  H     -12.729648      2.526597      3.358938
  H     -14.218212      2.779660      5.352917
  H     -13.244353      3.328066      7.577692
  H     -10.805663      3.634634      7.835901
  N      -2.610784      3.706366      3.140068
  N      -2.116799      3.952608      2.016310
  H      -1.757721      3.087775      1.558952
98
Coordinates from ORCA-job orca E -6258.447337703946
  N      -2.992734      1.433905      4.829733
  Mo     -3.476926      3.492363      4.732932
  N      -4.474062      3.242682      6.508779
  C      -3.600270      3.240929      7.668890
  C      -2.248489      2.627205      7.290936
  N      -1.712157      3.222375      6.007955
  C      -0.787215      2.268914      5.324962
  C      -1.599788      1.258023      4.478387
  C      -1.041390      4.545569      6.270702
  C      -1.577524      5.560159      5.264465
  N      -3.026717      5.395722      5.280535
  H      -1.405244      1.456845      3.405413
  H      -1.262512      0.225017      4.687237
  H      -0.135492      2.861005      4.670718
  H      -0.156065      1.778687      6.085233
  H      -1.255644      6.577656      5.551359
  H      -1.189682      5.349990      4.256658
  H      -1.323532      4.858911      7.285727
  H       0.053111      4.420663      6.249343
  H      -4.016657      2.625264      8.490059
  H      -3.448333      4.256448      8.095731
  H      -2.389222      1.559652      7.094101
  H      -1.489348      2.761532      8.081137
  C      -3.981382      1.180828      3.841677
  C      -5.023846      0.141441      4.268299
  C      -6.359896      0.242695      3.509855
  C      -6.197342      0.241821      2.017457
  N      -6.267357      1.419235      1.403788
  C      -6.053788      1.441143      0.061395
  N      -5.775763      0.423210     -0.728713
  C      -5.714545     -0.802961     -0.125590
  C      -5.430037     -1.946699     -0.911873
  C      -5.365190     -3.192449     -0.322933
  C      -5.584379     -3.345891      1.066210
  C      -5.862226     -2.247837      1.855344
  C      -5.930490     -0.954428      1.280204
  C      -3.683719      6.207627      6.293610
  C      -3.833938      7.674398      5.848401
  C      -4.393971      7.806842      4.429640
  C      -5.776848      7.240068      4.249892
  N      -6.686617      7.557623      5.168311
  C      -7.966820      7.160046      4.949072
  N      -8.450170      6.545051      3.889815
  C      -7.532422      6.176425      2.945229
  C      -7.972805      5.489537      1.788553
  C      -7.056216      5.033485      0.863407
  C      -5.671290      5.243352      1.056681
  C      -5.216505      5.949438      2.152323
  C      -6.135713      6.452506      3.110081
  C      -5.861961      2.902457      6.720986
  C      -6.772134      4.122512      6.942380
  C      -8.261932      3.806274      7.062477
  C      -8.960038      3.425564      5.778259
  N      -8.234671      3.250214      4.684402
  C      -8.884244      2.908451      3.536275
  N     -10.179348      2.747844      3.363825
  C     -10.957850      2.937857      4.474260
  C     -12.362043      2.791637      4.362549
  C     -13.166372      2.963627      5.470535
  C     -12.601661      3.285667      6.726445
  C     -11.235430      3.437571      6.861011
  C     -10.384676      3.271436      5.740428
  H      -3.574039      0.978551      2.831664
  H      -4.605520      2.152877      3.649445
  H      -5.213273      0.273631      5.342634
  H      -4.571372     -0.854418      4.137391
  H      -7.016667     -0.581602      3.825457
  H      -6.848457      1.185428      3.790670
  H      -6.116361      2.429138     -0.405073
  H      -5.270170     -1.807368     -1.981769
  H      -5.146729     -4.071521     -0.932140
  H      -5.534715     -4.340026      1.512850
  H      -6.034526     -2.375009      2.924504
  H      -4.678848      5.784736      6.472189
  H      -3.152968      6.202194      7.269329
  H      -2.859986      8.188130      5.883098
  H      -4.491481      8.186527      6.566275
  H      -4.447183      8.875144      4.155780
  H      -3.696622      7.334502      3.730278
  H      -8.679394      7.402006      5.744803
  H      -9.042730      5.310354      1.675145
  H      -7.401612      4.488995     -0.017227
  H      -4.950147      4.841648      0.343114
  H      -4.145244      6.098745      2.282996
  H      -5.969333      2.204190      7.579076
  H      -6.243771      2.376907      5.830217
  H      -6.450342      4.658032      7.850117
  H      -6.621155      4.808534      6.095679
  H      -8.428253      2.995314      7.796150
  H      -8.787878      4.680693      7.480448
  H      -8.236772      2.747620      2.667573
  H     -12.774615      2.541350      3.383977
  H     -14.248159      2.850488      5.380924
  H     -13.253027      3.416690      7.592080
  H     -10.808176      3.687779      7.832691
  N      -2.618447      3.724042      3.121499
  N      -2.125782      3.966716      1.996721
  H      -1.768724      3.100463      1.539896
98
Coordinates from ORCA-job orca E -6258.447727397363
  N      -2.991010      1.433545      4.805536
  Mo     -3.476177      3.497042      4.710790
  N      -4.478403      3.238941      6.485934
  C      -3.604011      3.232687      7.646002
  C      -2.250698      2.622194      7.267273
  N      -1.712822      3.221801      5.987359
  C      -0.787609      2.272220      5.300748
  C      -1.598215      1.262182      4.451942
  C      -1.043680      4.544403      6.253413
  C      -1.581083      5.563510      5.251603
  N      -3.030874      5.397682      5.266575
  H      -1.404589      1.461130      3.378831
  H      -1.258414      0.229664      4.659876
  H      -0.136881      2.866498      4.647538
  H      -0.154674      1.780255      6.058375
  H      -1.260514      6.579801      5.542913
  H      -1.191668      5.357297      4.243537
  H      -1.322388      4.852508      7.270901
  H       0.051100      4.423118      6.228755
  H      -4.020429      2.613498      8.464656
  H      -3.452805      4.245801      8.079148
  H      -2.388540      1.554905      7.067526
  H      -1.494431      2.755488      8.060390
  C      -3.980922      1.181201      3.818580
  C      -5.022519      0.142217      4.248380
  C      -6.354682      0.232434      3.482942
  C      -6.185504      0.224525      1.991226
  N      -6.271111      1.397499      1.369950
  C      -6.051382      1.412305      0.028655
  N      -5.754956      0.393617     -0.753258
  C      -5.679705     -0.827649     -0.142284
  C      -5.377358     -1.972402     -0.919575
  C      -5.299724     -3.213561     -0.322338
  C      -5.523514     -3.360853      1.066378
  C      -5.818228     -2.261373      1.846885
  C      -5.899671     -0.972684      1.263092
  C      -3.680929      6.198229      6.294944
  C      -3.826391      7.671751      5.872806
  C      -4.405367      7.831810      4.464254
  C      -5.789371      7.263828      4.294369
  N      -6.699988      7.615912      5.199127
  C      -7.980078      7.213169      4.991469
  N      -8.463995      6.567636      3.949935
  C      -7.545468      6.167597      3.019072
  C      -7.986414      5.451907      1.880599
  C      -7.069337      4.957997      0.976293
  C      -5.683320      5.157529      1.172203
  C      -5.227133      5.893406      2.247373
  C      -6.147253      6.437788      3.181962
  C      -5.868739      2.909101      6.700251
  C      -6.773417      4.138395      6.894752
  C      -8.263681      3.831947      7.025132
  C      -8.972318      3.439637      5.751073
  N      -8.255145      3.232192      4.657511
  C      -8.916622      2.879847      3.519412
  N     -10.214949      2.734455      3.356557
  C     -10.984534      2.955884      4.467181
  C     -12.391528      2.826591      4.365691
  C     -13.187233      3.029879      5.474503
  C     -12.610628      3.366431      6.720988
  C     -11.241246      3.502214      6.845202
  C     -10.399266      3.304906      5.723290
  H      -3.573589      0.973143      2.809511
  H      -4.602659      2.152145      3.618805
  H      -5.218576      0.283151      5.320482
  H      -4.564854     -0.852683      4.129622
  H      -7.009752     -0.592862      3.800282
  H      -6.849514      1.174376      3.754631
  H      -6.126104      2.395557     -0.445752
  H      -5.214685     -1.838004     -1.989414
  H      -5.067918     -4.093643     -0.924574
  H      -5.464037     -4.351439      1.519505
  H      -5.994183     -2.383635      2.915774
  H      -4.676965      5.776727      6.475087
  H      -3.144675      6.180954      7.267470
  H      -2.850363      8.181330      5.906467
  H      -4.476419      8.174704      6.604448
  H      -4.470656      8.906160      4.219348
  H      -3.718536      7.381128      3.740789
  H      -8.692585      7.478447      5.779444
  H      -9.057480      5.280208      1.764933
  H      -7.416592      4.391300      0.110615
  H      -4.961136      4.723637      0.478814
  H      -4.155215      6.032126      2.383008
  H      -5.981355      2.228452      7.571322
  H      -6.251472      2.368103      5.818768
  H      -6.448858      4.692824      7.790072
  H      -6.619338      4.804241      6.032641
  H      -8.429439      3.030875      7.769591
  H      -8.781191      4.714070      7.435984
  H      -8.277091      2.694508      2.650604
  H     -12.813633      2.564149      3.394519
  H     -14.271331      2.929915      5.392540
  H     -13.254617      3.521260      7.587907
  H     -10.805440      3.763171      7.810082
  N      -2.617748      3.732932      3.102494
  N      -2.127677      3.977782      1.977636
  H      -1.775878      3.112022      1.515766
98
Coordinates from ORCA-job orca E -6258.448127848035
  N      -2.999349      1.438546      4.784357
  Mo     -3.478676      3.506074      4.693641
  N      -4.488574      3.242943      6.466911
  C      -3.613247      3.231122      7.626954
  C      -2.259606      2.619635      7.247895
  N      -1.717659      3.220841      5.971127
  C      -0.794767      2.271820      5.280571
  C      -1.606725      1.266280      4.428786
  C      -1.045041      4.541098      6.241364
  C      -1.578795      5.566698      5.243586
  N      -3.030132      5.403631      5.256754
  H      -1.414506      1.465097      3.355489
  H      -1.269107      0.232503      4.635244
  H      -0.142793      2.867111      4.629669
  H      -0.162370      1.775242      6.035705
  H      -1.258920      6.581593      5.540059
  H      -1.186908      5.365337      4.235589
  H      -1.321851      4.845114      7.260559
  H       0.049761      4.418288      6.215262
  H      -4.031729      2.609451      8.443131
  H      -3.461207      4.241142      8.067922
  H      -2.398569      1.552740      7.046788
  H      -1.506736      2.749634      8.044916
  C      -3.991617      1.189284      3.798527
  C      -5.034951      0.151734      4.228374
  C      -6.361049      0.234883      3.452004
  C      -6.179380      0.218139      1.961504
  N      -6.269004      1.387704      1.333261
  C      -6.035797      1.395998     -0.006135
  N      -5.724901      0.375898     -0.780541
  C      -5.647519     -0.841920     -0.162238
  C      -5.332422     -1.988743     -0.931267
  C      -5.254184     -3.226654     -0.326795
  C      -5.489510     -3.368107      1.061100
  C      -5.795972     -2.266318      1.833714
  C      -5.878632     -0.980696      1.242316
  C      -3.673534      6.196277      6.297203
  C      -3.808808      7.675898      5.894473
  C      -4.400045      7.862098      4.493956
  C      -5.783694      7.292617      4.324354
  N      -6.701317      7.676247      5.208415
  C      -7.978153      7.264842      5.004346
  N      -8.454194      6.587327      3.977911
  C      -7.528155      6.161483      3.065964
  C      -7.961279      5.419878      1.940720
  C      -7.037494      4.897103      1.060244
  C      -5.653183      5.092567      1.267612
  C      -5.204738      5.855030      2.327221
  C      -6.131677      6.430814      3.236127
  C      -5.881966      2.926082      6.683030
  C      -6.783667      4.163374      6.842360
  C      -8.272616      3.859346      6.993346
  C      -8.994226      3.436475      5.737503
  N      -8.287167      3.192312      4.644318
  C      -8.961545      2.813179      3.523023
  N     -10.262966      2.671966      3.375025
  C     -11.021503      2.929798      4.484951
  C     -12.430759      2.808119      4.398672
  C     -13.216001      3.049036      5.507281
  C     -12.626105      3.416573      6.738696
  C     -11.254495      3.546026      6.847561
  C     -10.422890      3.311057      5.725028
  H      -3.586082      0.976055      2.789619
  H      -4.607844      2.161121      3.595357
  H      -5.240464      0.300114      5.297820
  H      -4.574034     -0.842771      4.121198
  H      -7.017147     -0.589750      3.769546
  H      -6.860576      1.177628      3.712208
  H      -6.112109      2.376072     -0.487540
  H      -5.161245     -1.858631     -2.000729
  H      -5.013263     -4.108575     -0.922539
  H      -5.429801     -4.356257      1.519648
  H      -5.981597     -2.383806      2.901876
  H      -4.672437      5.780068      6.474775
  H      -3.135966      6.165718      7.268438
  H      -2.828814      8.177941      5.926866
  H      -4.451151      8.172667      6.637558
  H      -4.475083      8.941178      4.275786
  H      -3.720170      7.431147      3.751588
  H      -8.697000      7.551921      5.778795
  H      -9.031740      5.251542      1.816799
  H      -7.379296      4.310220      0.205857
  H      -4.926347      4.636772      0.593699
  H      -4.135016      5.990628      2.473159
  H      -6.002016      2.269357      7.570963
  H      -6.263557      2.363337      5.814026
  H      -6.453772      4.745128      7.718427
  H      -6.635151      4.802656      5.959170
  H      -8.428338      3.075779      7.758671
  H      -8.786896      4.750440      7.388657
  H      -8.331380      2.602972      2.653042
  H     -12.863303      2.521493      3.439171
  H     -14.301714      2.955571      5.436592
  H     -13.261207      3.600415      7.606406
  H     -10.809211      3.831016      7.801073
  N      -2.619417      3.742980      3.085986
  N      -2.130371      3.992032      1.961049
  H      -1.785870      3.125774      1.494960
98
Coordinates from ORCA-job orca E -6258.448504170504
  N      -3.000829      1.438638      4.770534
  Mo     -3.476867      3.506840      4.683346
  N      -4.497738      3.238538      6.450677
  C      -3.624679      3.220544      7.612774
  C      -2.269207      2.610783      7.237464
  N      -1.720846      3.215044      5.965952
  C      -0.796911      2.267594      5.274421
  C      -1.607104      1.264853      4.418370
  C      -1.046999      4.533873      6.242237
  C      -1.574309      5.563185      5.244397
  N      -3.026789      5.402480      5.250772
  H      -1.412836      1.463515      3.345380
  H      -1.272356      0.230061      4.625186
  H      -0.143410      2.865210      4.627069
  H      -0.166252      1.768265      6.029262
  H      -1.256356      6.577636      5.544442
  H      -1.177349      5.364689      4.237949
  H      -1.327037      4.835427      7.261203
  H       0.047800      4.409293      6.219127
  H      -4.046442      2.595103      8.424475
  H      -3.474724      4.227217      8.061966
  H      -2.407487      1.544438      7.033482
  H      -1.522114      2.737772      8.040391
  C      -3.992600      1.189592      3.783489
  C      -5.034102      0.149093      4.211014
  C      -6.357302      0.222286      3.427654
  C      -6.168724      0.205719      1.937533
  N      -6.270604      1.374081      1.307881
  C      -6.029934      1.384275     -0.030051
  N      -5.702899      0.367794     -0.802888
  C      -5.614770     -0.849223     -0.183290
  C      -5.283907     -1.993080     -0.950512
  C      -5.195073     -3.230139     -0.345033
  C      -5.434789     -3.373485      1.042101
  C      -5.756041     -2.274567      1.813046
  C      -5.850142     -0.989641      1.220522
  C      -3.671705      6.197276      6.288747
  C      -3.791078      7.679831      5.892163
  C      -4.390810      7.884171      4.497315
  C      -5.779686      7.325240      4.338328
  N      -6.694956      7.747452      5.206765
  C      -7.972640      7.332853      5.019774
  N      -8.452548      6.620612      4.018373
  C      -7.529239      6.162908      3.119295
  C      -7.967467      5.391424      2.016533
  C      -7.047188      4.835442      1.153266
  C      -5.661870      5.025387      1.357043
  C      -5.208582      5.816909      2.392232
  C      -6.131919      6.428227      3.281404
  C      -5.895043      2.936015      6.664736
  C      -6.790519      4.182076      6.787444
  C      -8.279757      3.887198      6.957359
  C      -9.015749      3.440229      5.719122
  N      -8.321371      3.165196      4.624378
  C      -9.010439      2.767248      3.519136
  N     -10.314407      2.631746      3.387310
  C     -11.059256      2.919463      4.499065
  C     -12.470165      2.806405      4.430249
  C     -13.242370      3.079414      5.540802
  C     -12.637160      3.472065      6.757181
  C     -11.264003      3.593992      6.848694
  C     -10.445332      3.325738      5.723612
  H      -3.586454      0.974197      2.775072
  H      -4.605585      2.161595      3.580026
  H      -5.246688      0.299924      5.278860
  H      -4.567647     -0.843391      4.110047
  H      -7.008639     -0.607159      3.742946
  H      -6.865633      1.161321      3.683953
  H      -6.114099      2.363509     -0.512764
  H      -5.109588     -1.861203     -2.019412
  H      -4.942188     -4.110070     -0.939318
  H      -5.366653     -4.361083      1.501305
  H      -5.945101     -2.393286      2.880558
  H      -4.675311      5.789793      6.457102
  H      -3.140708      6.158391      7.263091
  H      -2.805108      8.170103      5.920500
  H      -4.423711      8.179622      6.641791
  H      -4.463650      8.966467      4.294270
  H      -3.722168      7.457690      3.741673
  H      -8.689996      7.648484      5.784328
  H      -9.038728      5.227696      1.897107
  H      -7.392772      4.225018      0.317831
  H      -4.938741      4.546216      0.696019
  H      -4.139062      5.950867      2.535018
  H      -6.025934      2.304925      7.569127
  H      -6.274396      2.351620      5.808616
  H      -6.454080      4.788305      7.644172
  H      -6.644409      4.794055      5.884965
  H      -8.429106      3.121436      7.741861
  H      -8.787840      4.788262      7.337904
  H      -8.391772      2.538272      2.645284
  H     -12.914658      2.500624      3.482035
  H     -14.329247      2.992947      5.483258
  H     -13.261610      3.681346      7.627176
  H     -10.807454      3.898665      7.790914
  N      -2.609138      3.745955      3.080586
  N      -2.118788      4.002574      1.957909
  H      -1.780356      3.136711      1.486942
98
Coordinates from ORCA-job orca E -6258.448844495164
  N      -3.006385      1.439324      4.760828
  Mo     -3.475489      3.505406      4.676154
  N      -4.506218      3.237516      6.438534
  C      -3.634589      3.216883      7.601480
  C      -2.278558      2.605725      7.230176
  N      -1.723676      3.208461      5.961544
  C      -0.800677      2.258630      5.270134
  C      -1.612196      1.259582      4.411748
  C      -1.045322      4.525104      6.241580
  C      -1.565993      5.556288      5.243348
  N      -3.019130      5.400632      5.245431
  H      -1.416083      1.458583      3.339243
  H      -1.282740      0.223174      4.618563
  H      -0.144781      2.856779      4.625798
  H      -0.173028      1.756953      6.025924
  H      -1.247922      6.570217      5.545680
  H      -1.166659      5.359875      4.237571
  H      -1.328590      4.827023      7.259602
  H       0.048809      4.394017      6.221397
  H      -4.058799      2.589951      8.411142
  H      -3.485812      4.222092      8.055136
  H      -2.418267      1.539509      7.026288
  H      -1.535464      2.731299      8.037097
  C      -3.998270      1.188894      3.773826
  C      -5.036106      0.144695      4.200865
  C      -6.357253      0.205472      3.411486
  C      -6.162175      0.188894      1.921639
  N      -6.272534      1.355190      1.290200
  C      -6.026074      1.368646     -0.046622
  N      -5.687066      0.355371     -0.818720
  C      -5.591373     -0.860984     -0.197664
  C      -5.249780     -2.002372     -0.964361
  C      -5.153678     -3.238749     -0.358658
  C      -5.395953     -3.384160      1.028326
  C      -5.727231     -2.287888      1.798802
  C      -5.829562     -1.003215      1.205900
  C      -3.664983      6.194014      6.283363
  C      -3.770243      7.680056      5.897717
  C      -4.376167      7.905608      4.508335
  C      -5.771143      7.360627      4.357905
  N      -6.683353      7.814227      5.213609
  C      -7.963611      7.401059      5.039803
  N      -8.448361      6.661977      4.059802
  C      -7.529038      6.179256      3.170047
  C      -7.973774      5.385653      2.085175
  C      -7.058838      4.809360      1.230322
  C      -5.672491      4.998527      1.426742
  C      -5.212604      5.809545      2.443648
  C      -6.130740      6.441866      3.323311
  C      -5.907205      2.950708      6.651078
  C      -6.795286      4.205312      6.726909
  C      -8.285602      3.923657      6.913619
  C      -9.031677      3.443866      5.694590
  N      -8.346924      3.138843      4.601465
  C      -9.046509      2.717436      3.512645
  N     -10.351509      2.577459      3.396013
  C     -11.085738      2.890887      4.507551
  C     -12.496912      2.773364      4.456234
  C     -13.259035      3.075868      5.565904
  C     -12.642901      3.504762      6.764419
  C     -11.269813      3.631580      6.838769
  C     -10.461067      3.331508      5.714445
  H      -3.593142      0.973217      2.765098
  H      -4.609945      2.161670      3.573834
  H      -5.253822      0.297642      5.267480
  H      -4.563987     -0.845647      4.104726
  H      -7.001703     -0.630078      3.724964
  H      -6.875295      1.139967      3.665275
  H      -6.115319      2.348116     -0.529271
  H      -5.073687     -1.868401     -2.032999
  H      -4.892940     -4.116904     -0.952431
  H      -5.322023     -4.371541      1.487447
  H      -5.918659     -2.408093      2.865961
  H      -4.673349      5.794174      6.439109
  H      -3.141973      6.140688      7.261510
  H      -2.778054      8.158194      5.922075
  H      -4.390669      8.181561      6.656294
  H      -4.441121      8.990919      4.320591
  H      -3.717771      7.481713      3.742127
  H      -8.679697      7.742690      5.794598
  H      -9.045977      5.225027      1.972574
  H      -7.408395      4.181575      0.409923
  H      -4.954966      4.507554      0.768720
  H      -4.142360      5.948017      2.577736
  H      -6.050698      2.353069      7.575685
  H      -6.283463      2.337459      5.813373
  H      -6.452804      4.839460      7.560722
  H      -6.649207      4.783599      5.802916
  H      -8.431522      3.182960      7.722296
  H      -8.788983      4.837327      7.270374
  H      -8.437218      2.472363      2.636117
  H     -12.949619      2.440474      3.521340
  H     -14.346143      2.985923      5.521806
  H     -13.259209      3.738153      7.634137
  H     -10.805252      3.964036      7.767447
  N      -2.605016      3.746512      3.075232
  N      -2.116391      4.018080      1.953468
  H      -1.783475      3.157301      1.470330
98
Coordinates from ORCA-job orca E -6258.449076660194
  N      -3.009814      1.454923      4.734973
  Mo     -3.479880      3.517355      4.664322
  N      -4.509496      3.236572      6.424480
  C      -3.637418      3.205552      7.586092
  C      -2.280562      2.600970      7.209223
  N      -1.727164      3.214295      5.944807
  C      -0.803682      2.268661      5.246976
  C      -1.616661      1.275414      4.382901
  C      -1.048659      4.528803      6.233879
  C      -1.570823      5.564610      5.242499
  N      -3.023667      5.411421      5.244370
  H      -1.421109      1.484655      3.312178
  H      -1.287433      0.237382      4.580726
  H      -0.148428      2.871606      4.606414
  H      -0.176169      1.763160      6.000266
  H      -1.250229      6.576238      5.550483
  H      -1.174689      5.374004      4.234319
  H      -1.332168      4.824891      7.253583
  H       0.044914      4.395438      6.212808
  H      -4.058691      2.568741      8.389427
  H      -3.490621      4.207146      8.048762
  H      -2.418038      1.536194      6.996326
  H      -1.536359      2.722553      8.015650
  C      -4.003821      1.204792      3.749541
  C      -5.034149      0.156230      4.181446
  C      -6.355016      0.200896      3.391000
  C      -6.161271      0.171920      1.901737
  N      -6.279787      1.331540      1.261575
  C      -6.037785      1.339632     -0.075512
  N      -5.694933      0.322992     -0.841758
  C      -5.590467     -0.888648     -0.212099
  C      -5.245042     -2.033333     -0.972514
  C      -5.139955     -3.264929     -0.359065
  C      -5.376607     -3.402732      1.029826
  C      -5.711684     -2.303310      1.794298
  C      -5.823316     -1.023264      1.193387
  C      -3.666680      6.191295      6.293721
  C      -3.764486      7.682176      5.928940
  C      -4.372193      7.927869      4.542847
  C      -5.768405      7.386698      4.391404
  N      -6.687577      7.872053      5.223058
  C      -7.969711      7.463264      5.047206
  N      -8.448350      6.697266      4.084950
  C      -7.522477      6.181785      3.219668
  C      -7.959102      5.358467      2.153176
  C      -7.037533      4.751289      1.325542
  C      -5.651621      4.937843      1.532399
  C      -5.197986      5.776954      2.529921
  C      -6.123355      6.440692      3.380271
  C      -5.912935      2.959765      6.637190
  C      -6.796034      4.218106      6.683190
  C      -8.287553      3.949382      6.878606
  C      -9.038730      3.443919      5.672681
  N      -8.359044      3.107748      4.586066
  C      -9.064482      2.670335      3.507350
  N     -10.369930      2.535107      3.397180
  C     -11.098757      2.874699      4.504609
  C     -12.509898      2.759944      4.461540
  C     -13.266559      3.090721      5.566484
  C     -12.644809      3.547105      6.751823
  C     -11.271537      3.671568      6.818009
  C     -10.468267      3.340735      5.698925
  H      -3.601100      0.992896      2.739173
  H      -4.616988      2.178706      3.555230
  H      -5.253193      0.312468      5.247180
  H      -4.553758     -0.830839      4.090289
  H      -6.993193     -0.636568      3.711973
  H      -6.878697      1.134106      3.637961
  H      -6.135223      2.316214     -0.562911
  H      -5.073553     -1.905197     -2.042599
  H      -4.876362     -4.145457     -0.948102
  H      -5.295498     -4.386676      1.495113
  H      -5.898722     -2.417926      2.862866
  H      -4.676922      5.792469      6.440260
  H      -3.147584      6.118192      7.272969
  H      -2.769212      8.154266      5.955771
  H      -4.376754      8.179850      6.696375
  H      -4.434457      9.015610      4.371786
  H      -3.713564      7.513366      3.772872
  H      -8.693125      7.838760      5.779677
  H      -9.031446      5.202038      2.033422
  H      -7.380396      4.099872      0.520724
  H      -4.928920      4.422181      0.897676
  H      -4.126757      5.915560      2.669550
  H      -6.061187      2.383978      7.574502
  H      -6.289261      2.327394      5.813855
  H      -6.450097      4.870494      7.500889
  H      -6.647722      4.773214      5.745338
  H      -8.436942      3.229437      7.705084
  H      -8.785416      4.873998      7.213805
  H      -8.460100      2.405802      2.633169
  H     -12.966754      2.406113      3.536364
  H     -14.353773      3.002385      5.529241
  H     -13.257304      3.803914      7.617413
  H     -10.802353      4.025274      7.736441
  N      -2.609167      3.768454      3.066536
  N      -2.120343      4.049942      1.947085
  H      -1.789470      3.195167      1.452360
98
Coordinates from ORCA-job orca E -6258.449240966721
  N      -3.020027      1.443200      4.742868
  Mo     -3.473070      3.505472      4.659399
  N      -4.520676      3.241608      6.412087
  C      -3.655590      3.204215      7.578250
  C      -2.301293      2.587764      7.215445
  N      -1.731828      3.193445      5.954867
  C      -0.810958      2.237646      5.267612
  C      -1.626981      1.244661      4.405091
  C      -1.044530      4.502417      6.245449
  C      -1.549317      5.538129      5.245098
  N      -3.002599      5.399862      5.232366
  H      -1.419219      1.445224      3.334547
  H      -1.310102      0.205069      4.614026
  H      -0.149638      2.833745      4.626661
  H      -0.190216      1.733600      6.027451
  H      -1.219457      6.547143      5.551922
  H      -1.147481      5.339050      4.240689
  H      -1.334074      4.805012      7.261417
  H       0.047458      4.357635      6.234128
  H      -4.086143      2.571914      8.379873
  H      -3.504143      4.205992      8.039069
  H      -2.444895      1.523735      7.003200
  H      -1.563289      2.706185      8.027893
  C      -4.009430      1.189842      3.753342
  C      -5.038773      0.138677      4.180723
  C      -6.353537      0.172541      3.379915
  C      -6.147600      0.154883      1.892223
  N      -6.269890      1.315796      1.256558
  C      -6.019199      1.334570     -0.078767
  N      -5.665336      0.324047     -0.848012
  C      -5.556566     -0.889403     -0.223935
  C      -5.199878     -2.027473     -0.988905
  C      -5.088437     -3.261194     -0.381903
  C      -5.329225     -3.408099      1.005110
  C      -5.675911     -2.315275      1.773867
  C      -5.795254     -1.033438      1.179439
  C      -3.652042      6.188912      6.270426
  C      -3.741393      7.680533      5.909204
  C      -4.354066      7.946060      4.527628
  C      -5.760186      7.426823      4.389084
  N      -6.665453      7.928603      5.226430
  C      -7.954238      7.530767      5.068379
  N      -8.450502      6.754758      4.123708
  C      -7.540536      6.223818      3.252105
  C      -7.995611      5.390252      2.201496
  C      -7.089111      4.774188      1.364093
  C      -5.698866      4.963137      1.544085
  C      -5.227140      5.811686      2.526412
  C      -6.137750      6.478820      3.389146
  C      -5.928362      2.982321      6.623739
  C      -6.801043      4.248541      6.633295
  C      -8.293755      3.999389      6.842477
  C      -9.052219      3.456660      5.657512
  N      -8.380198      3.096354      4.574634
  C      -9.092748      2.633619      3.510932
  N     -10.396821      2.482054      3.417446
  C     -11.117514      2.838037      4.525792
  C     -12.526365      2.702786      4.502594
  C     -13.274588      3.054004      5.606951
  C     -12.646470      3.552965      6.771465
  C     -11.274896      3.697193      6.818304
  C     -10.480196      3.343527      5.700440
  H      -3.600988      0.979243      2.744978
  H      -4.624636      2.162545      3.562807
  H      -5.265969      0.297371      5.244230
  H      -4.554011     -0.846918      4.095228
  H      -6.985020     -0.673754      3.690200
  H      -6.888333      1.098740      3.628600
  H      -6.121238      2.313060     -0.560623
  H      -5.024830     -1.891932     -2.057193
  H      -4.816241     -4.136542     -0.974511
  H      -5.242398     -4.393693      1.465404
  H      -5.865788     -2.437012      2.840979
  H      -4.665953      5.795243      6.405478
  H      -3.143582      6.111909      7.255074
  H      -2.742344      8.144841      5.936896
  H      -4.346195      8.180621      6.681209
  H      -4.398373      9.036034      4.368593
  H      -3.707614      7.527469      3.749200
  H      -8.665636      7.926930      5.800892
  H      -9.070994      5.236362      2.100406
  H      -7.444574      4.113321      0.572666
  H      -4.987615      4.443737      0.899149
  H      -4.153800      5.960052      2.642307
  H      -6.084183      2.436166      7.577028
  H      -6.307026      2.325042      5.821124
  H      -6.448953      4.919644      7.432035
  H      -6.647873      4.775795      5.679880
  H      -8.445889      3.310576      7.694449
  H      -8.784445      4.938752      7.145986
  H      -8.496276      2.360726      2.633825
  H     -12.988397      2.317439      3.592572
  H     -14.360174      2.949438      5.585394
  H     -13.252759      3.827345      7.636019
  H     -10.800445      4.084058      7.720505
  N      -2.590101      3.750733      3.069349
  N      -2.110811      4.056479      1.952989
  H      -1.781371      3.214787      1.433458
98
Coordinates from ORCA-job orca E -6258.449453799189
  N      -3.033169      1.456914      4.718393
  Mo     -3.477006      3.520823      4.641559
  N      -4.530615      3.253708      6.391874
  C      -3.667113      3.205419      7.559093
  C      -2.314308      2.585038      7.195966
  N      -1.739367      3.193950      5.938787
  C      -0.821872      2.236946      5.248864
  C      -1.641760      1.251028      4.381323
  C      -1.045880      4.497709      6.235893
  C      -1.543658      5.540196      5.238442
  N      -2.997942      5.411617      5.223511
  H      -1.430649      1.454762      3.311920
  H      -1.330432      0.209020      4.587055
  H      -0.157820      2.832390      4.610239
  H      -0.203545      1.727693      6.007216
  H      -1.206016      6.545478      5.548841
  H      -1.142302      5.340598      4.233971
  H      -1.334632      4.797464      7.252930
  H       0.045426      4.347868      6.225831
  H      -4.100980      2.569949      8.356476
  H      -3.511952      4.204058      8.025953
  H      -2.461165      1.522596      6.978538
  H      -1.577430      2.697642      8.010197
  C      -4.024992      1.206566      3.729877
  C      -5.050865      0.153262      4.159822
  C      -6.362084      0.175176      3.354197
  C      -6.150455      0.147987      1.867776
  N      -6.275859      1.303776      1.223323
  C      -6.017770      1.314508     -0.110892
  N      -5.653499      0.300577     -0.870839
  C      -5.541030     -0.907569     -0.237845
  C      -5.172241     -2.048632     -0.992838
  C      -5.055593     -3.277275     -0.376456
  C      -5.302787     -3.415818      1.010290
  C      -5.661361     -2.319747      1.769387
  C      -5.786786     -1.043303      1.165185
  C      -3.640214      6.192701      6.272376
  C      -3.715608      7.687885      5.927309
  C      -4.331720      7.969955      4.549741
  C      -5.740287      7.457546      4.415426
  N      -6.645254      7.991553      5.233032
  C      -7.935260      7.596154      5.083512
  N      -8.432081      6.789128      4.165350
  C      -7.522576      6.223687      3.315452
  C      -7.978197      5.356847      2.292646
  C      -7.072567      4.706805      1.481032
  C      -5.681689      4.894233      1.658899
  C      -5.208541      5.776477      2.610921
  C      -6.119284      6.477853      3.446925
  C      -5.940607      3.001732      6.603899
  C      -6.812773      4.268639      6.586189
  C      -8.305424      4.026510      6.802298
  C      -9.068719      3.457333      5.632862
  N      -8.401636      3.073589      4.554552
  C      -9.120340      2.589240      3.504277
  N     -10.424697      2.432856      3.422107
  C     -11.140186      2.810688      4.527191
  C     -12.548725      2.669651      4.515997
  C     -13.291552      3.044041      5.616831
  C     -12.658166      3.572563      6.765087
  C     -11.286295      3.722093      6.799988
  C     -10.497047      3.344398      5.685929
  H      -3.617760      0.997988      2.720566
  H      -4.640092      2.178901      3.543343
  H      -5.282631      0.317632      5.221471
  H      -4.560272     -0.830072      4.082506
  H      -6.990895     -0.671883      3.667865
  H      -6.901467      1.100874      3.593897
  H      -6.121834      2.289013     -0.599910
  H      -4.991880     -1.919497     -2.061084
  H      -4.773927     -4.154912     -0.961431
  H      -5.211217     -4.397322      1.478176
  H      -5.855587     -2.435126      2.836486
  H      -4.657193      5.805527      6.403872
  H      -3.133479      6.101205      7.256430
  H      -2.713126      8.144646      5.957560
  H      -4.314164      8.186968      6.705186
  H      -4.371224      9.061563      4.402924
  H      -3.690004      7.555109      3.764951
  H      -8.645376      8.022100      5.799813
  H      -9.054086      5.204505      2.193304
  H      -7.428503      4.019006      0.713184
  H      -4.970649      4.348177      1.036699
  H      -4.135517      5.925535      2.723144
  H      -6.098047      2.474937      7.567588
  H      -6.319551      2.327076      5.815609
  H      -6.460782      4.956254      7.370821
  H      -6.658836      4.776599      5.621932
  H      -8.458190      3.358598      7.670614
  H      -8.793144      4.974339      7.083510
  H      -8.529194      2.300974      2.628599
  H     -13.014952      2.261615      3.618149
  H     -14.377114      2.934729      5.604929
  H     -13.260360      3.865596      7.626592
  H     -10.807705      4.131894      7.689638
  N      -2.595526      3.772459      3.049509
  N      -2.125941      4.094127      1.933315
  H      -1.794822      3.262943      1.399977
98
Coordinates from ORCA-job orca E -6258.449567639967
  N      -3.038028      1.481157      4.691433
  Mo     -3.479930      3.542497      4.633057
  N      -4.538279      3.260397      6.379524
  C      -3.679131      3.197837      7.549936
  C      -2.325522      2.579691      7.185142
  N      -1.746753      3.199857      5.934904
  C      -0.828498      2.248225      5.239233
  C      -1.647147      1.273677      4.356959
  C      -1.052646      4.499033      6.246744
  C      -1.541560      5.551408      5.254321
  N      -2.996194      5.429919      5.231335
  H      -1.430544      1.489326      3.290836
  H      -1.339407      0.228444      4.552089
  H      -0.160312      2.847855      4.608965
  H      -0.214661      1.729525      5.994753
  H      -1.199369      6.552547      5.572743
  H      -1.135766      5.355447      4.250795
  H      -1.346956      4.790961      7.264484
  H       0.038671      4.348452      6.243394
  H      -4.116619      2.553746      8.338410
  H      -3.524160      4.191193      8.028114
  H      -2.472063      1.519501      6.957565
  H      -1.590609      2.684801      8.001948
  C      -4.031383      1.236716      3.701377
  C      -5.052628      0.178709      4.129864
  C      -6.361157      0.197693      3.321444
  C      -6.147493      0.149288      1.836580
  N      -6.268160      1.299733      1.180467
  C      -6.011873      1.295448     -0.153572
  N      -5.653786      0.271703     -0.903676
  C      -5.546780     -0.931439     -0.258555
  C      -5.185229     -2.082454     -1.002440
  C      -5.075781     -3.306235     -0.373471
  C      -5.323527     -3.429799      1.014973
  C      -5.675028     -2.323761      1.763401
  C      -5.792568     -1.052306      1.146331
  C      -3.641549      6.203931      6.283915
  C      -3.701679      7.701533      5.944869
  C      -4.305902      7.990819      4.562037
  C      -5.716605      7.490303      4.408918
  N      -6.633532      8.061215      5.188390
  C      -7.924988      7.679399      5.019508
  N      -8.410519      6.846148      4.117935
  C      -7.488066      6.240438      3.308855
  C      -7.929258      5.339264      2.309439
  C      -7.012181      4.647817      1.544489
  C      -5.623827      4.831644      1.742563
  C      -5.163841      5.747663      2.669231
  C      -6.085486      6.485826      3.461372
  C      -5.948931      3.004940      6.591342
  C      -6.828451      4.266018      6.583165
  C      -8.319404      4.013611      6.800512
  C      -9.086045      3.436524      5.636982
  N      -8.424769      3.048935      4.555212
  C      -9.150044      2.556049      3.512950
  N     -10.454307      2.395793      3.441230
  C     -11.163881      2.780046      4.548600
  C     -12.571999      2.635735      4.547400
  C     -13.308828      3.017753      5.650488
  C     -12.669844      3.556824      6.790499
  C     -11.297733      3.708317      6.815619
  C     -10.514516      3.322749      5.699269
  H      -3.624541      1.037196      2.690187
  H      -4.648243      2.208566      3.524704
  H      -5.288447      0.342926      5.190600
  H      -4.556376     -0.801941      4.055955
  H      -6.995246     -0.641558      3.645738
  H      -6.895166      1.129883      3.547259
  H      -6.112361      2.266419     -0.651218
  H      -5.004645     -1.965153     -2.072439
  H      -4.799881     -4.191323     -0.950037
  H      -5.237726     -4.407367      1.492832
  H      -5.870018     -2.427826      2.831928
  H      -4.661898      5.821203      6.405166
  H      -3.145679      6.103403      7.272405
  H      -2.696444      8.151386      5.983526
  H      -4.302004      8.203756      6.719544
  H      -4.335194      9.082719      4.416113
  H      -3.657993      7.570120      3.785124
  H      -8.644886      8.141830      5.703491
  H      -9.003851      5.190999      2.194514
  H      -7.357049      3.932199      0.797671
  H      -4.903955      4.256714      1.157773
  H      -4.093433      5.894419      2.795006
  H      -6.099891      2.472460      7.553072
  H      -6.328474      2.331900      5.801886
  H      -6.480942      4.951119      7.372202
  H      -6.679761      4.783376      5.623072
  H      -8.468620      3.348072      7.671205
  H      -8.810543      4.961270      7.077735
  H      -8.564594      2.265761      2.633737
  H     -13.042491      2.219601      3.655561
  H     -14.394325      2.905872      5.646827
  H     -13.267532      3.856257      7.653405
  H     -10.814533      4.126401      7.698809
  N      -2.593097      3.809353      3.046613
  N      -2.119626      4.146659      1.937179
  H      -1.787478      3.323862      1.392079
98
Coordinates from ORCA-job orca E -6258.449721585298
  N      -3.032413      1.480423      4.691056
  Mo     -3.471695      3.537838      4.633266
  N      -4.541421      3.258521      6.374171
  C      -3.689227      3.193584      7.550192
  C      -2.335250      2.570814      7.193618
  N      -1.747699      3.191001      5.947647
  C      -0.826229      2.239948      5.256160
  C      -1.640322      1.268835      4.366118
  C      -1.053545      4.488251      6.266842
  C      -1.529777      5.542500      5.270009
  N      -2.984110      5.425287      5.233951
  H      -1.415799      1.485285      3.301654
  H      -1.337156      0.222382      4.561900
  H      -0.153242      2.839714      4.631213
  H      -0.217880      1.718416      6.014054
  H      -1.187372      6.542596      5.590915
  H      -1.114615      5.344982      4.270604
  H      -1.357773      4.780567      7.281580
  H       0.037564      4.335962      6.274968
  H      -4.133860      2.551492      8.336393
  H      -3.533706      4.186463      8.029213
  H      -2.483500      1.511133      6.964828
  H      -1.605529      2.673278      8.015310
  C      -4.021989      1.234793      3.696863
  C      -5.040869      0.171284      4.118279
  C      -6.349337      0.191785      3.308913
  C      -6.134012      0.147597      1.823992
  N      -6.249102      1.300074      1.169445
  C      -5.988103      1.294948     -0.164143
  N      -5.630512      0.270850     -0.913842
  C      -5.528881     -0.932832     -0.270077
  C      -5.166864     -2.084036     -1.013206
  C      -5.062402     -3.308420     -0.384840
  C      -5.315936     -3.432158      1.002251
  C      -5.667888     -2.325995      1.749917
  C      -5.780302     -1.054055      1.133517
  C      -3.638775      6.205349      6.276182
  C      -3.692826      7.700842      5.925786
  C      -4.293369      7.981676      4.539143
  C      -5.711426      7.500445      4.393084
  N      -6.616067      8.095576      5.169217
  C      -7.914019      7.732038      5.012528
  N      -8.417327      6.891334      4.128232
  C      -7.508554      6.262135      3.321586
  C      -7.971194      5.352038      2.340640
  C      -7.071535      4.643097      1.573114
  C      -5.678862      4.816625      1.750294
  C      -5.197278      5.736377      2.662224
  C      -6.101287      6.492420      3.457470
  C      -5.953987      3.007694      6.580298
  C      -6.828131      4.271886      6.576618
  C      -8.319209      4.023748      6.796176
  C      -9.088799      3.441667      5.637153
  N      -8.430679      3.052412      4.554118
  C      -9.158419      2.552093      3.517130
  N     -10.462165      2.385390      3.451562
  C     -11.168787      2.773087      4.559353
  C     -12.576233      2.623112      4.563942
  C     -13.310249      3.009978      5.667046
  C     -12.669197      3.559318      6.801155
  C     -11.297456      3.715367      6.820837
  C     -10.516905      3.324801      5.704414
  H      -3.611041      1.042307      2.686127
  H      -4.643171      2.203453      3.526640
  H      -5.278394      0.331305      5.179361
  H      -4.542517     -0.807896      4.040977
  H      -6.983092     -0.648588      3.630420
  H      -6.884280      1.123095      3.536512
  H      -6.082592      2.266430     -0.661339
  H      -4.981547     -1.966542     -2.082275
  H      -4.785935     -4.193688     -0.960853
  H      -5.233882     -4.409998      1.479847
  H      -5.867200     -2.430185      2.817499
  H      -4.661299      5.825551      6.390398
  H      -3.152546      6.110703      7.269998
  H      -2.685941      8.146926      5.962929
  H      -4.293705      8.211472      6.694675
  H      -4.307180      9.072129      4.378950
  H      -3.651492      7.541075      3.767897
  H      -8.623043      8.219310      5.691248
  H      -9.048481      5.212430      2.241611
  H      -7.432043      3.920698      0.840724
  H      -4.973204      4.231744      1.159549
  H      -4.123881      5.875127      2.771114
  H      -6.109194      2.472063      7.539712
  H      -6.334194      2.339205      5.787288
  H      -6.476837      4.952771      7.368082
  H      -6.680564      4.793779      5.619053
  H      -8.470256      3.365044      7.671629
  H      -8.807357      4.974990      7.066131
  H      -8.575979      2.260839      2.636587
  H     -13.048199      2.199310      3.676423
  H     -14.395348      2.893932      5.668010
  H     -13.264730      3.862824      7.663969
  H     -10.812663      4.141158      7.699536
  N      -2.576367      3.810836      3.051983
  N      -2.102931      4.163135      1.947889
  H      -1.769435      3.348259      1.393090
98
Coordinates from ORCA-job orca E -6258.449841456882
  N      -3.032064      1.478660      4.682415
  Mo     -3.470035      3.532608      4.625773
  N      -4.551054      3.252944      6.360429
  C      -3.706101      3.189299      7.542244
  C      -2.351428      2.561950      7.194837
  N      -1.754678      3.181890      5.953453
  C      -0.830012      2.231271      5.266383
  C      -1.638840      1.263024      4.368557
  C      -1.062065      4.477640      6.279718
  C      -1.526955      5.533906      5.280076
  N      -2.980446      5.419872      5.230593
  H      -1.404684      1.479888      3.306184
  H      -1.340117      0.215647      4.565697
  H      -0.151561      2.831010      4.647353
  H      -0.227696      1.706753      6.026871
  H      -1.185180      6.532777      5.604998
  H      -1.102190      5.336420      4.284666
  H      -1.375965      4.769978      7.291581
  H       0.029169      4.325389      6.298298
  H      -4.157939      2.550761      8.327354
  H      -3.550552      4.183069      8.019646
  H      -2.500892      1.502470      6.965007
  H      -1.627028      2.662677      8.021414
  C      -4.017465      1.231643      3.684065
  C      -5.034146      0.162666      4.098326
  C      -6.339560      0.182177      3.283551
  C      -6.119722      0.135052      1.799331
  N      -6.241645      1.285078      1.141025
  C      -5.981689      1.274705     -0.192610
  N      -5.618843      0.249400     -0.938192
  C      -5.509003     -0.950825     -0.289950
  C      -5.140510     -2.103052     -1.028057
  C      -5.028757     -3.324274     -0.394986
  C      -5.281700     -3.443558      0.992046
  C      -5.639886     -2.336317      1.735056
  C      -5.759532     -1.067504      1.113769
  C      -3.645947      6.197347      6.268595
  C      -3.697662      7.696458      5.929759
  C      -4.287523      7.998785      4.543229
  C      -5.709031      7.533328      4.381412
  N      -6.616571      8.138464      5.146135
  C      -7.914404      7.780001      4.981330
  N      -8.413951      6.928874      4.104107
  C      -7.501894      6.288645      3.310806
  C      -7.959002      5.360674      2.343399
  C      -7.056031      4.642182      1.588951
  C      -5.665756      4.826175      1.763327
  C      -5.189945      5.761804      2.662388
  C      -6.096453      6.521855      3.449399
  C      -5.965067      3.005464      6.560666
  C      -6.833039      4.273173      6.562206
  C      -8.323536      4.032099      6.793240
  C      -9.105913      3.443113      5.646175
  N      -8.460785      3.045243      4.558744
  C      -9.201018      2.536972      3.534114
  N     -10.505345      2.369182      3.484891
  C     -11.199506      2.767716      4.596962
  C     -12.607423      2.620137      4.617422
  C     -13.329014      3.020145      5.724023
  C     -12.674784      3.579931      6.845880
  C     -11.302204      3.732895      6.850294
  C     -10.533978      3.329596      5.729532
  H      -3.601727      1.045728      2.674438
  H      -4.644165      2.196435      3.520413
  H      -5.276966      0.320334      5.158636
  H      -4.532217     -0.814717      4.021444
  H      -6.974940     -0.656821      3.604951
  H      -6.875121      1.114068      3.507486
  H      -6.084781      2.243075     -0.694401
  H      -4.956156     -1.989369     -2.097186
  H      -4.747148     -4.210398     -0.967268
  H      -5.194086     -4.418907      1.473534
  H      -5.838321     -2.437234      2.802607
  H      -4.669630      5.816482      6.370861
  H      -3.169286      6.097981      7.267129
  H      -2.690249      8.139895      5.977599
  H      -4.303640      8.200276      6.699339
  H      -4.290747      9.090770      4.397567
  H      -3.645236      7.561495      3.770814
  H      -8.625421      8.276884      5.650707
  H      -9.035407      5.216030      2.243735
  H      -7.410668      3.904807      0.868286
  H      -4.957808      4.238852      1.177575
  H      -4.118001      5.912974      2.764883
  H      -6.124247      2.465683      7.517035
  H      -6.345717      2.342960      5.762993
  H      -6.473699      4.951439      7.352839
  H      -6.690272      4.797324      5.605220
  H      -8.471612      3.383187      7.676549
  H      -8.805486      4.988140      7.056539
  H      -8.629048      2.236860      2.649694
  H     -13.089463      2.188393      3.738849
  H     -14.414423      2.906707      5.736981
  H     -13.260575      3.893902      7.711557
  H     -10.807527      4.166455      7.719943
  N      -2.561760      3.808181      3.052176
  N      -2.084088      4.176724      1.955627
  H      -1.747814      3.368664      1.390363
98
Coordinates from ORCA-job orca E -6258.449982209342
  N      -3.031977      1.485643      4.669450
  Mo     -3.466228      3.538363      4.615179
  N      -4.561506      3.255227      6.341615
  C      -3.725074      3.191869      7.529702
  C      -2.370808      2.558281      7.192638
  N      -1.762291      3.179760      5.958614
  C      -0.834186      2.230543      5.275265
  C      -1.637108      1.264809      4.369487
  C      -1.070150      4.472612      6.295204
  C      -1.521572      5.532497      5.293757
  N      -2.973980      5.422879      5.228192
  H      -1.390904      1.479251      3.309247
  H      -1.344321      0.216520      4.570357
  H      -0.150656      2.831103      4.662539
  H      -0.237087      1.702672      6.037473
  H      -1.180392      6.529631      5.624327
  H      -1.085635      5.335719      4.303002
  H      -1.393756      4.764213      7.304234
  H       0.021007      4.319362      6.324589
  H      -4.186024      2.558004      8.313017
  H      -3.568413      4.185927      8.005611
  H      -2.523082      1.499918      6.958810
  H      -1.652887      2.653885      8.025477
  C      -4.011051      1.239402      3.664251
  C      -5.027589      0.164753      4.065753
  C      -6.328488      0.186458      3.242698
  C      -6.102119      0.135944      1.758563
  N      -6.220343      1.282710      1.093762
  C      -5.954793      1.263296     -0.239566
  N      -5.588660      0.234286     -0.977123
  C      -5.481353     -0.961297     -0.321741
  C      -5.109118     -2.117183     -1.050622
  C      -5.000875     -3.334009     -0.410031
  C      -5.261399     -3.444910      0.975829
  C      -5.623060     -2.333968      1.710282
  C      -5.738592     -1.069368      1.081239
  C      -3.649519      6.200781      6.258777
  C      -3.694951      7.700973      5.922307
  C      -4.273345      8.009862      4.533009
  C      -5.697766      7.556691      4.368052
  N      -6.604778      8.191617      5.108682
  C      -7.903709      7.838103      4.947409
  N      -8.405096      6.963311      4.094646
  C      -7.493890      6.292673      3.327677
  C      -7.953403      5.333813      2.391477
  C      -7.052836      4.583272      1.667682
  C      -5.661870      4.764859      1.841267
  C      -5.182939      5.729518      2.708080
  C      -6.087497      6.520991      3.465543
  C      -5.976639      3.007555      6.533331
  C      -6.841886      4.276774      6.540868
  C      -8.331344      4.040520      6.786682
  C      -9.126899      3.440841      5.654293
  N      -8.494501      3.029967      4.564997
  C      -9.246673      2.511379      3.554468
  N     -10.551404      2.345780      3.519939
  C     -11.233411      2.760103      4.633648
  C     -12.641928      2.620403      4.667289
  C     -13.351755      3.038296      5.774500
  C     -12.684634      3.607781      6.883810
  C     -11.311132      3.752896      6.875381
  C     -10.554736      3.332547      5.753044
  H      -3.587648      1.060985      2.656585
  H      -4.643448      2.199273      3.506065
  H      -5.277548      0.318947      5.125027
  H      -4.523470     -0.811331      3.988327
  H      -6.968728     -0.649441      3.562310
  H      -6.862954      1.120302      3.462419
  H      -6.056756      2.227649     -0.749361
  H      -4.919314     -2.010603     -2.119267
  H      -4.716399     -4.223050     -0.975404
  H      -5.177038     -4.417013      1.463495
  H      -5.827445     -2.428662      2.777022
  H      -4.674796      5.821954      6.350109
  H      -3.183041      6.100517      7.262638
  H      -2.686600      8.140743      5.978823
  H      -4.306464      8.205268      6.687441
  H      -4.267589      9.101533      4.388459
  H      -3.632296      7.566877      3.762731
  H      -8.614331      8.361002      5.596973
  H      -9.030672      5.192711      2.290493
  H      -7.408087      3.820132      0.974450
  H      -4.955629      4.154453      1.276976
  H      -4.109152      5.881087      2.805613
  H      -6.140653      2.460975      7.484800
  H      -6.354679      2.352913      5.728173
  H      -6.474235      4.954202      7.328735
  H      -6.706094      4.801601      5.583298
  H      -8.473338      3.403019      7.679258
  H      -8.808231      5.001360      7.042391
  H      -8.684726      2.199817      2.667508
  H     -13.133843      2.181196      3.797998
  H     -14.437573      2.932068      5.797035
  H     -13.261009      3.935701      7.750377
  H     -10.807112      4.193923      7.735855
  N      -2.545176      3.817066      3.051386
  N      -2.068562      4.198742      1.959232
  H      -1.726356      3.396593      1.387517
98
Coordinates from ORCA-job orca E -6258.450156008706
  N      -3.035083      1.501781      4.657394
  Mo     -3.463339      3.553764      4.610131
  N      -4.569745      3.264360      6.329573
  C      -3.741006      3.199853      7.522704
  C      -2.388688      2.559462      7.192732
  N      -1.769651      3.184411      5.966657
  C      -0.839451      2.235564      5.284962
  C      -1.638463      1.275975      4.369181
  C      -1.075673      4.473319      6.315477
  C      -1.514487      5.538792      5.314905
  N      -2.966155      5.434207      5.235054
  H      -1.382035      1.491581      3.311561
  H      -1.352100      0.225684      4.569386
  H      -0.149022      2.837190      4.681022
  H      -0.249410      1.701060      6.048290
  H      -1.174032      6.534194      5.652631
  H      -1.069293      5.345818      4.327408
  H      -1.408164      4.763055      7.322201
  H       0.014999      4.316009      6.354324
  H      -4.210749      2.569966      8.303721
  H      -3.581652      4.193434      7.998094
  H      -2.546367      1.503158      6.952435
  H      -1.674979      2.646181      8.030463
  C      -4.006502      1.261297      3.643737
  C      -5.028533      0.184897      4.028573
  C      -6.322776      0.220118      3.195513
  C      -6.087331      0.152194      1.712633
  N      -6.187152      1.291594      1.033621
  C      -5.915641      1.252610     -0.299225
  N      -5.555703      0.211354     -1.022021
  C      -5.464803     -0.976961     -0.351164
  C      -5.099319     -2.145248     -1.063136
  C      -5.009521     -3.354958     -0.406972
  C      -5.282714     -3.446189      0.978246
  C      -5.637815     -2.322916      1.696746
  C      -5.733185     -1.064670      1.051727
  C      -3.651970      6.213656      6.255311
  C      -3.693186      7.713384      5.914497
  C      -4.253757      8.017521      4.517100
  C      -5.679805      7.573218      4.343248
  N      -6.592196      8.228724      5.059177
  C      -7.891189      7.878560      4.890674
  N      -8.387383      6.986515      4.053158
  C      -7.470905      6.292818      3.314696
  C      -7.925765      5.308665      2.401842
  C      -7.021592      4.534124      1.709536
  C      -5.631461      4.719934      1.887684
  C      -5.156639      5.708224      2.730048
  C      -6.064813      6.520376      3.460176
  C      -5.983030      3.000818      6.510001
  C      -6.857327      4.263675      6.555781
  C      -8.344487      4.016046      6.811967
  C      -9.147397      3.420608      5.682864
  N      -8.522710      3.014901      4.587789
  C      -9.281166      2.500491      3.580937
  N     -10.586385      2.340545      3.551480
  C     -11.261257      2.753393      4.669784
  C     -12.670686      2.623557      4.707664
  C     -13.373873      3.038460      5.820299
  C     -12.698508      3.594406      6.931095
  C     -11.324277      3.730491      6.918356
  C     -10.574758      3.314217      5.789859
  H      -3.575151      1.091274      2.637958
  H      -4.642343      2.219143      3.491020
  H      -5.285693      0.333439      5.087047
  H      -4.528956     -0.793090      3.947483
  H      -6.978641     -0.602865      3.517174
  H      -6.845061      1.164020      3.404903
  H      -6.004438      2.211108     -0.822370
  H      -4.900235     -2.054581     -2.131939
  H      -4.730173     -4.253614     -0.959465
  H      -5.213775     -4.413177      1.478340
  H      -5.852417     -2.402726      2.762979
  H      -4.678210      5.836488      6.335507
  H      -3.196063      6.115172      7.264225
  H      -2.684447      8.150948      5.981020
  H      -4.313053      8.220284      6.671063
  H      -4.238974      9.108079      4.363300
  H      -3.608464      7.562810      3.756937
  H      -8.607833      8.420305      5.517984
  H      -9.002429      5.167915      2.293979
  H      -7.370862      3.748398      1.039148
  H      -4.923608      4.096361      1.340718
  H      -4.082989      5.864557      2.826014
  H      -6.147272      2.421655      7.442238
  H      -6.353054      2.373030      5.680767
  H      -6.484992      4.925150      7.355039
  H      -6.734050      4.810983      5.609156
  H      -8.475114      3.371696      7.701359
  H      -8.824575      4.973268      7.078835
  H      -8.724598      2.188451      2.690447
  H     -13.168684      2.194169      3.837335
  H     -14.460410      2.940649      5.845627
  H     -13.269397      3.919394      7.802658
  H     -10.814373      4.160997      7.780420
  N      -2.530312      3.834971      3.052862
  N      -2.046943      4.222085      1.964451
  H      -1.694356      3.422603      1.395593
98
Coordinates from ORCA-job orca E -6258.450380127418
  N      -3.039719      1.518135      4.641506
  Mo     -3.458950      3.571253      4.597180
  N      -4.582382      3.277599      6.306058
  C      -3.764621      3.208978      7.505779
  C      -2.413387      2.562335      7.186164
  N      -1.779802      3.190435      5.969955
  C      -0.846631      2.239984      5.293299
  C      -1.640807      1.287245      4.366502
  C      -1.082807      4.474411      6.331633
  C      -1.507636      5.545942      5.331628
  N      -2.958756      5.447611      5.234965
  H      -1.373677      1.504722      3.311777
  H      -1.361367      0.234825      4.565904
  H      -0.147013      2.841871      4.700231
  H      -0.266895      1.698931      6.060169
  H      -1.168611      6.539294      5.677965
  H      -1.052864      5.358569      4.347229
  H      -1.424237      4.761939      7.335944
  H       0.006319      4.309737      6.380280
  H      -4.244406      2.581292      8.282485
  H      -3.603703      4.201219      7.983156
  H      -2.576203      1.508517      6.938515
  H      -1.706539      2.639255      8.030844
  C      -4.000316      1.283841      3.617246
  C      -5.029176      0.208259      3.987953
  C      -6.314513      0.249242      3.142530
  C      -6.071677      0.159551      1.662487
  N      -6.167574      1.289839      0.969988
  C      -5.896179      1.236545     -0.361983
  N      -5.536274      0.186328     -1.072330
  C      -5.448108     -0.995123     -0.387168
  C      -5.083392     -2.172230     -1.085379
  C      -4.998395     -3.375103     -0.415647
  C      -5.276442     -3.450681      0.969819
  C      -5.630919     -2.318587      1.675333
  C      -5.719974     -1.066437      1.016500
  C      -3.652752      6.223517      6.251036
  C      -3.690758      7.724512      5.915081
  C      -4.242893      8.032384      4.514510
  C      -5.668797      7.587135      4.335526
  N      -6.590202      8.259201      5.024625
  C      -7.886929      7.900941      4.852857
  N      -8.372013      6.984116      4.035374
  C      -7.446568      6.271911      3.326580
  C      -7.889202      5.257691      2.439792
  C      -6.975239      4.463342      1.782573
  C      -5.587629      4.664911      1.964352
  C      -5.124951      5.683352      2.777163
  C      -6.042878      6.510617      3.477442
  C      -5.995433      3.006878      6.468796
  C      -6.874111      4.266147      6.540196
  C      -8.357185      4.014722      6.817270
  C      -9.172893      3.409504      5.702697
  N      -8.559883      2.985783      4.608177
  C      -9.328984      2.462738      3.614726
  N     -10.636208      2.315206      3.595011
  C     -11.299377      2.746602      4.712994
  C     -12.710297      2.630856      4.761859
  C     -13.402072      3.061002      5.875597
  C     -12.712838      3.618162      6.977243
  C     -11.337350      3.742489      6.953341
  C     -10.599669      3.311755      5.822874
  H      -3.559227      1.116219      2.615030
  H      -4.634688      2.242709      3.462408
  H      -5.297419      0.354477      5.044009
  H      -4.532092     -0.771180      3.909181
  H      -6.982759     -0.562309      3.468534
  H      -6.828125      1.201613      3.337471
  H      -5.984071      2.189694     -0.895133
  H      -4.881528     -2.094205     -2.154797
  H      -4.719566     -4.280652     -0.957533
  H      -5.212246     -4.412782      1.480516
  H      -5.849650     -2.386483      2.741605
  H      -4.680388      5.847416      6.319351
  H      -3.206374      6.120638      7.263566
  H      -2.681137      8.159573      5.989021
  H      -4.314046      8.228980      6.670232
  H      -4.227853      9.123448      4.362814
  H      -3.593582      7.578523      3.757454
  H      -8.613281      8.456989      5.456329
  H      -8.963683      5.109742      2.325318
  H      -7.311951      3.650975      1.138589
  H      -4.873649      4.031676      1.436861
  H      -4.054426      5.854739      2.869777
  H      -6.167332      2.402755      7.384014
  H      -6.356092      2.402940      5.618776
  H      -6.491399      4.920931      7.339760
  H      -6.764298      4.821109      5.596305
  H      -8.472286      3.374395      7.711787
  H      -8.836864      4.971115      7.087373
  H      -8.781304      2.132971      2.724911
  H     -13.218964      2.198924      3.898959
  H     -14.489780      2.974176      5.908992
  H     -13.274449      3.954156      7.850518
  H     -10.816981      4.174195      7.808543
  N      -2.505401      3.848741      3.050965
  N      -2.005077      4.230303      1.968071
  H      -1.647296      3.427088      1.407637
98
Coordinates from ORCA-job orca E -6258.450628389646
  N      -3.047454      1.535658      4.626526
  Mo     -3.454934      3.592113      4.585862
  N      -4.596211      3.294139      6.282672
  C      -3.790742      3.217343      7.489356
  C      -2.440677      2.564644      7.180922
  N      -1.791292      3.195890      5.975146
  C      -0.856258      2.242640      5.303748
  C      -1.646570      1.298517      4.364972
  C      -1.090350      4.473511      6.350866
  C      -1.499900      5.552855      5.352338
  N      -2.950270      5.462794      5.238074
  H      -1.368506      1.519275      3.313585
  H      -1.374913      0.243707      4.562623
  H      -0.147133      2.844372      4.721963
  H      -0.288242      1.695000      6.074800
  H      -1.160965      6.542870      5.708681
  H      -1.036340      5.371464      4.370736
  H      -1.439988      4.757043      7.353368
  H      -0.003798      4.299083      6.408629
  H      -4.281083      2.589965      8.259846
  H      -3.628756      4.207253      7.970838
  H      -2.608305      1.513849      6.924825
  H      -1.741708      2.630855      8.033057
  C      -3.996360      1.310073      3.590525
  C      -5.033456      0.237381      3.947603
  C      -6.310169      0.281190      3.090508
  C      -6.058838      0.167185      1.613902
  N      -6.147414      1.285240      0.902102
  C      -5.871411      1.212371     -0.427776
  N      -5.513221      0.149616     -1.120260
  C      -5.433331     -1.021762     -0.415807
  C      -5.072191     -2.210975     -1.095580
  C      -4.996598     -3.404741     -0.408007
  C      -5.280870     -3.459050      0.977479
  C      -5.631708     -2.314553      1.665230
  C      -5.710717     -1.071015      0.987916
  C      -3.653259      6.238384      6.247608
  C      -3.683940      7.740073      5.915977
  C      -4.226001      8.051600      4.511387
  C      -5.649630      7.599673      4.327908
  N      -6.579016      8.274870      5.002609
  C      -7.872404      7.904022      4.829780
  N      -8.345938      6.969647      4.025950
  C      -7.412704      6.253746      3.331971
  C      -7.843934      5.222236      2.459913
  C      -6.921753      4.426039      1.817382
  C      -5.535772      4.646445      1.996173
  C      -5.083599      5.681938      2.793907
  C      -6.011988      6.508659      3.482427
  C      -6.007747      3.010816      6.426077
  C      -6.895414      4.263338      6.530242
  C      -8.372910      4.003196      6.827845
  C      -9.201311      3.394017      5.724870
  N      -8.599667      2.961030      4.626918
  C      -9.379197      2.437833      3.642166
  N     -10.688359      2.300902      3.632529
  C     -11.339512      2.739179      4.755368
  C     -12.751133      2.633481      4.816710
  C     -13.431107      3.067588      5.936392
  C     -12.728470      3.618815      7.032580
  C     -11.352408      3.735568      6.996066
  C     -10.627054      3.301757      5.858766
  H      -3.545279      1.143264      2.592152
  H      -4.626309      2.272827      3.431901
  H      -5.311071      0.381933      5.001376
  H      -4.540254     -0.744285      3.871258
  H      -6.989137     -0.520347      3.420690
  H      -6.816855      1.240489      3.269812
  H      -5.954425      2.157783     -0.974813
  H      -4.866013     -2.149334     -2.165376
  H      -4.720791     -4.319686     -0.935591
  H      -5.224795     -4.414362      1.502198
  H      -5.855930     -2.366140      2.731453
  H      -4.683599      5.865431      6.301665
  H      -3.219076      6.130296      7.264533
  H      -2.673367      8.171791      5.999982
  H      -4.310941      8.243473      6.668623
  H      -4.212436      9.143243      4.363293
  H      -3.570917      7.601190      3.757292
  H      -8.607531      8.462988      5.418353
  H      -8.916303      5.064230      2.344094
  H      -7.246312      3.598151      1.187112
  H      -4.816991      4.016191      1.472154
  H      -4.016174      5.871424      2.879898
  H      -6.184492      2.376645      7.320491
  H      -6.357378      2.433312      5.554222
  H      -6.503678      4.908439      7.333019
  H      -6.800463      4.829763      5.591569
  H      -8.469102      3.359670      7.722455
  H      -8.854169      4.954981      7.109707
  H      -8.840533      2.098322      2.750059
  H     -13.270512      2.204778      3.958435
  H     -14.519331      2.988085      5.979198
  H     -13.280724      3.956883      7.911157
  H     -10.821381      4.163323      7.846722
  N      -2.479427      3.868258      3.052646
  N      -1.958314      4.244929      1.977366
  H      -1.595091      3.440022      1.423530
98
Coordinates from ORCA-job orca E -6258.450919558400
  N      -3.058651      1.551038      4.616251
  Mo     -3.447807      3.613879      4.575039
  N      -4.611295      3.317565      6.257581
  C      -3.821941      3.231056      7.473913
  C      -2.473559      2.568107      7.181259
  N      -1.804282      3.197503      5.985391
  C      -0.869323      2.237784      5.322522
  C      -1.656268      1.303742      4.371184
  C      -1.096939      4.467070      6.374285
  C      -1.485045      5.554887      5.375330
  N      -2.934187      5.477231      5.240549
  H      -1.364585      1.525775      3.323794
  H      -1.395558      0.246295      4.569022
  H      -0.148659      2.835970      4.751619
  H      -0.316061      1.683834      6.099561
  H      -1.143719      6.540084      5.741898
  H      -1.010648      5.376116      4.398366
  H      -1.455626      4.748054      7.374187
  H      -0.013803      4.280220      6.443543
  H      -4.326221      2.605770      8.237494
  H      -3.658331      4.218937      7.959046
  H      -2.647134      1.519852      6.919519
  H      -1.785066      2.624740      8.042411
  C      -3.994675      1.337013      3.566671
  C      -5.045238      0.273029      3.910324
  C      -6.311236      0.322495      3.038919
  C      -6.047379      0.182996      1.567594
  N      -6.122756      1.289411      0.836290
  C      -5.836574      1.195880     -0.489238
  N      -5.482189      0.119422     -1.162463
  C      -5.418283     -1.041821     -0.439205
  C      -5.063584     -2.244120     -1.099864
  C      -5.004050     -3.429201     -0.394928
  C      -5.298479     -3.461523      0.989240
  C      -5.642989     -2.303512      1.658222
  C      -5.705785     -1.068665      0.962854
  C      -3.647554      6.256660      6.240852
  C      -3.667953      7.757710      5.907027
  C      -4.204922      8.068468      4.498911
  C      -5.627128      7.612017      4.313808
  N      -6.560685      8.286927      4.982360
  C      -7.851429      7.903813      4.813811
  N      -8.317338      6.953856      4.024607
  C      -7.379579      6.238968      3.334552
  C      -7.802846      5.193354      2.477009
  C      -6.875602      4.403180      1.834134
  C      -5.490853      4.646644      1.995800
  C      -5.045674      5.693314      2.783509
  C      -5.981715      6.511443      3.475076
  C      -6.020834      3.020627      6.379958
  C      -6.918870      4.263713      6.523162
  C      -8.388697      3.988518      6.840302
  C      -9.228196      3.375983      5.747848
  N      -8.635959      2.935768      4.646485
  C      -9.424079      2.410154      3.670111
  N     -10.734701      2.278256      3.670985
  C     -11.375316      2.719499      4.798797
  C     -12.786515      2.614838      4.873927
  C     -13.455896      3.048426      6.000174
  C     -12.742544      3.598328      7.090164
  C     -11.366841      3.715879      7.039815
  C     -10.652524      3.283495      5.895116
  H      -3.533042      1.166837      2.573393
  H      -4.613584      2.306311      3.400564
  H      -5.333930      0.418613      4.960799
  H      -4.558902     -0.712548      3.839871
  H      -7.002787     -0.467562      3.371473
  H      -6.809821      1.289194      3.199427
  H      -5.908802      2.134001     -1.049232
  H      -4.849521     -2.198610     -2.168872
  H      -4.733369     -4.354311     -0.907526
  H      -5.255154     -4.410012      1.527682
  H      -5.875315     -2.338017      2.723447
  H      -4.681204      5.887639      6.280954
  H      -3.228349      6.147013      7.263430
  H      -2.656227      8.185454      5.996768
  H      -4.296066      8.264547      6.656553
  H      -4.190145      9.159889      4.351005
  H      -3.547170      7.617435      3.747609
  H      -8.591924      8.463808      5.393405
  H      -8.873739      5.022512      2.370334
  H      -7.189954      3.564288      1.213102
  H      -4.769660      4.026189      1.463104
  H      -3.981857      5.902657      2.856071
  H      -6.200196      2.353071      7.250078
  H      -6.360637      2.472649      5.486288
  H      -6.519085      4.896019      7.332094
  H      -6.840527      4.845842      5.593018
  H      -8.462925      3.337318      7.731727
  H      -8.873926      4.932480      7.138378
  H      -8.893299      2.064743      2.775404
  H     -13.314863      2.186143      4.021078
  H     -14.543743      2.968752      6.053754
  H     -13.286607      3.934593      7.974330
  H     -10.826698      4.142921      7.884978
  N      -2.444739      3.885183      3.058682
  N      -1.894933      4.252759      1.995035
  H      -1.529126      3.444064      1.448740
98
Coordinates from ORCA-job orca E -6258.451229421770
  N      -3.064148      1.565820      4.596618
  Mo     -3.444292      3.632170      4.561295
  N      -4.623924      3.330446      6.230857
  C      -3.849046      3.231586      7.455868
  C      -2.500445      2.564212      7.173458
  N      -1.817177      3.198202      5.987739
  C      -0.879552      2.238860      5.328543
  C      -1.660453      1.315033      4.363082
  C      -1.109434      4.462054      6.392074
  C      -1.480158      5.558169      5.395378
  N      -2.927431      5.488337      5.241937
  H      -1.357924      1.543031      3.320302
  H      -1.405683      0.255498      4.556531
  H      -0.150784      2.837296      4.768503
  H      -0.337452      1.678273      6.108355
  H      -1.139221      6.538806      5.773278
  H      -0.994278      5.383736      4.423375
  H      -1.478539      4.737839      7.389628
  H      -0.028385      4.269399      6.472754
  H      -4.364566      2.604025      8.210140
  H      -3.686507      4.215955      7.948350
  H      -2.675778      1.518274      6.903587
  H      -1.820702      2.612305      8.041936
  C      -3.991050      1.361111      3.537150
  C      -5.049873      0.303168      3.872643
  C      -6.308822      0.354446      2.991604
  C      -6.034226      0.193395      1.524857
  N      -6.097600      1.288227      0.774422
  C      -5.799333      1.171036     -0.546166
  N      -5.444560      0.081744     -1.198035
  C      -5.394197     -1.067236     -0.455753
  C      -5.040239     -2.281839     -1.094150
  C      -4.994297     -3.456130     -0.370595
  C      -5.302227     -3.464877      1.010537
  C      -5.645773     -2.294244      1.657722
  C      -5.694901     -1.070321      0.943022
  C      -3.650458      6.266859      6.237634
  C      -3.660397      7.767981      5.905222
  C      -4.192089      8.078947      4.494741
  C      -5.611193      7.616277      4.305476
  N      -6.547800      8.294961      4.965240
  C      -7.837050      7.906645      4.797310
  N      -8.298378      6.944408      4.021082
  C      -7.357058      6.226151      3.338242
  C      -7.777287      5.169851      2.493779
  C      -6.848894      4.382016      1.851030
  C      -5.464229      4.637389      2.001100
  C      -5.020827      5.691330      2.780828
  C      -5.960320      6.507521      3.472901
  C      -6.032158      3.022710      6.334240
  C      -6.935154      4.255914      6.527628
  C      -8.398411      3.965776      6.859408
  C      -9.250687      3.365166      5.770440
  N      -8.669327      2.924337      4.662674
  C      -9.467538      2.406355      3.690442
  N     -10.779301      2.283760      3.700159
  C     -11.408458      2.724077      4.834558
  C     -12.819331      2.625931      4.920691
  C     -13.477129      3.055626      6.055277
  C     -12.752440      3.595542      7.143077
  C     -11.376857      3.707613      7.081751
  C     -10.674144      3.279221      5.928176
  H      -3.522474      1.189468      2.547484
  H      -4.600790      2.335669      3.366817
  H      -5.345005      0.450488      4.921008
  H      -4.567372     -0.684684      3.807115
  H      -7.008812     -0.426709      3.327570
  H      -6.801986      1.325901      3.136465
  H      -5.861156      2.100305     -1.121458
  H      -4.815621     -2.253575     -2.161236
  H      -4.724176     -4.390842     -0.865840
  H      -5.269591     -4.404824      1.563993
  H      -5.888312     -2.310583      2.720783
  H      -4.686213      5.900772      6.265218
  H      -3.244688      6.152602      7.265082
  H      -2.647579      8.191659      5.999379
  H      -4.289051      8.278307      6.652168
  H      -4.178043      9.170005      4.347396
  H      -3.529792      7.628845      3.747162
  H      -8.580660      8.472146      5.366987
  H      -8.847980      4.992222      2.394499
  H      -7.157651      3.536745      1.235433
  H      -4.742766      4.021358      1.463187
  H      -3.958360      5.910795      2.841982
  H      -6.212442      2.317562      7.174735
  H      -6.367533      2.512310      5.417720
  H      -6.525596      4.865736      7.348967
  H      -6.873060      4.864807      5.614070
  H      -8.454982      3.297945      7.740036
  H      -8.884302      4.900627      7.182368
  H      -8.945339      2.058229      2.791756
  H     -13.356937      2.204391      4.069928
  H     -14.564684      2.979992      6.117780
  H     -13.287837      3.927728      8.034084
  H     -10.827134      4.126627      7.924806
  N      -2.416710      3.905089      3.060744
  N      -1.837448      4.266576      2.011309
  H      -1.472032      3.454755      1.469971
98
Coordinates from ORCA-job orca E -6258.451547985095
  N      -3.071431      1.573713      4.581086
  Mo     -3.441527      3.646369      4.548665
  N      -4.634705      3.343123      6.205843
  C      -3.874770      3.228802      7.440345
  C      -2.526144      2.556100      7.167326
  N      -1.830456      3.193146      5.990019
  C      -0.891342      2.234981      5.333452
  C      -1.667199      1.319054      4.357157
  C      -1.123001      4.452094      6.407628
  C      -1.474492      5.555165      5.411895
  N      -2.919209      5.493674      5.241010
  H      -1.353776      1.549285      3.318614
  H      -1.418264      0.257999      4.549109
  H      -0.157289      2.832688      4.779594
  H      -0.356832      1.670025      6.114931
  H      -1.132443      6.530753      5.800153
  H      -0.975826      5.380474      4.446717
  H      -1.502660      4.724760      7.402144
  H      -0.043094      4.256637      6.500833
  H      -4.402823      2.599060      8.183663
  H      -3.713383      4.208876      7.941236
  H      -2.702326      1.511663      6.891341
  H      -1.854717      2.598061      8.042516
  C      -3.992683      1.379098      3.513480
  C      -5.063033      0.332682      3.844996
  C      -6.313456      0.386797      2.951234
  C      -6.019366      0.208823      1.490130
  N      -6.059481      1.294802      0.723267
  C      -5.738321      1.152224     -0.589363
  N      -5.382818      0.050112     -1.218241
  C      -5.356939     -1.086840     -0.459311
  C      -5.003291     -2.314178     -1.072776
  C      -4.981814     -3.477483     -0.331533
  C      -5.314947     -3.462008      1.043006
  C      -5.658170     -2.278702      1.665585
  C      -5.682629     -1.066236      0.932508
  C      -3.651879      6.273466      6.231500
  C      -3.651915      7.773129      5.893277
  C      -4.182897      8.080695      4.482056
  C      -5.599479      7.616776      4.288436
  N      -6.533594      8.295640      4.951209
  C      -7.823097      7.907267      4.788829
  N      -8.287251      6.940414      4.021032
  C      -7.347084      6.223549      3.332071
  C      -7.773069      5.166641      2.492377
  C      -6.850009      4.388666      1.830496
  C      -5.464017      4.650668      1.960625
  C      -5.014364      5.700081      2.743826
  C      -5.950090      6.508688      3.453355
  C      -6.042297      3.026207      6.292686
  C      -6.945971      4.244197      6.560360
  C      -8.402690      3.929081      6.898104
  C      -9.264238      3.360367      5.799895
  N      -8.689046      2.935360      4.682335
  C      -9.493091      2.434500      3.705915
  N     -10.804594      2.313155      3.720477
  C     -11.427182      2.736990      4.863782
  C     -12.836613      2.635637      4.955912
  C     -13.487309      3.046931      6.100841
  C     -12.757955      3.572181      7.192816
  C     -11.383536      3.686745      7.125662
  C     -10.687248      3.276000      5.961772
  H      -3.519540      1.201529      2.527531
  H      -4.586873      2.360425      3.336836
  H      -5.365039      0.486991      4.890317
  H      -4.585799     -0.658338      3.789591
  H      -7.022434     -0.385797      3.287047
  H      -6.801758      1.362113      3.079776
  H      -5.780897      2.072912     -1.180110
  H      -4.758704     -2.303024     -2.135360
  H      -4.711974     -4.421963     -0.807341
  H      -5.301216     -4.393132      1.610954
  H      -5.919678     -2.276234      2.723808
  H      -4.688045      5.908048      6.251640
  H      -3.257832      6.159211      7.263865
  H      -2.637693      8.192770      5.984408
  H      -4.277924      8.292178      6.637054
  H      -4.166269      9.170421      4.331094
  H      -3.518891      7.626239      3.738392
  H      -8.563512      8.478251      5.358515
  H      -8.845486      4.985300      2.408623
  H      -7.160625      3.550180      1.205573
  H      -4.746466      4.044864      1.404611
  H      -3.951120      5.924436      2.787274
  H      -6.219089      2.273326      7.092219
  H      -6.381465      2.566962      5.351542
  H      -6.526272      4.812848      7.405933
  H      -6.902207      4.901254      5.680035
  H      -8.442782      3.226148      7.752272
  H      -8.890924      4.846822      7.263543
  H      -8.975420      2.097171      2.800948
  H     -13.378336      2.226248      4.102048
  H     -14.573613      2.967718      6.168744
  H     -13.288542      3.889579      8.091669
  H     -10.829260      4.093445      7.971596
  N      -2.392548      3.917986      3.064000
  N      -1.780688      4.266484      2.029797
  H      -1.419909      3.446619      1.497077
98
Coordinates from ORCA-job orca E -6258.451913848709
  N      -3.079807      1.589675      4.562945
  Mo     -3.439348      3.664755      4.533790
  N      -4.648261      3.359872      6.178116
  C      -3.901927      3.236676      7.420608
  C      -2.554440      2.557274      7.158480
  N      -1.844866      3.195751      5.990853
  C      -0.904153      2.236782      5.338442
  C      -1.675177      1.327758      4.351736
  C      -1.135934      4.449539      6.421394
  C      -1.469031      5.558180      5.425925
  N      -2.911456      5.504889      5.238022
  H      -1.349252      1.557966      3.317147
  H      -1.434428      0.264704      4.543505
  H      -0.162755      2.833265      4.792977
  H      -0.378504      1.666115      6.121833
  H      -1.126599      6.530498      5.822212
  H      -0.958650      5.383700      4.466921
  H      -1.526272      4.721621      7.411972
  H      -0.057406      4.249820      6.527019
  H      -4.442548      2.608070      8.155506
  H      -3.740297      4.213899      7.926415
  H      -2.733448      1.514688      6.876861
  H      -1.891236      2.592477      8.040303
  C      -3.993969      1.401713      3.487489
  C      -5.073843      0.362360      3.809617
  C      -6.313780      0.423918      2.900950
  C      -6.004581      0.227334      1.444747
  N      -6.025077      1.305235      0.665680
  C      -5.689752      1.143540     -0.641671
  N      -5.335360      0.031539     -1.253248
  C      -5.328130     -1.096551     -0.481037
  C      -4.975590     -2.333826     -1.074639
  C      -4.973513     -3.487895     -0.319352
  C      -5.326099     -3.453066      1.049984
  C      -5.668546     -2.260102      1.653600
  C      -5.672409     -1.056546      0.906117
  C      -3.652870      6.285153      6.221971
  C      -3.646180      7.784830      5.883261
  C      -4.166939      8.089815      4.467946
  C      -5.581630      7.624138      4.268286
  N      -6.521595      8.315262      4.910049
  C      -7.808823      7.919671      4.748916
  N      -8.265822      6.931435      4.003418
  C      -7.319144      6.202496      3.336885
  C      -7.737078      5.119599      2.525052
  C      -6.807527      4.328692      1.887321
  C      -5.423920      4.604573      2.011874
  C      -4.983148      5.678430      2.767416
  C      -5.924481      6.497946      3.455890
  C      -6.055098      3.035428      6.250016
  C      -6.962750      4.239050      6.564224
  C      -8.414040      3.905838      6.913798
  C      -9.288402      3.349434      5.819383
  N      -8.726348      2.928319      4.693708
  C      -9.541743      2.430669      3.725467
  N     -10.852764      2.310984      3.753348
  C     -11.462611      2.734432      4.903430
  C     -12.871338      2.636525      5.009005
  C     -13.509402      3.046919      6.161344
  C     -12.768050      3.567747      7.247356
  C     -11.394176      3.678545      7.167110
  C     -10.710224      3.268694      5.995201
  H      -3.513702      1.222208      2.505630
  H      -4.580024      2.385935      3.308671
  H      -5.386345      0.521147      4.851177
  H      -4.601746     -0.631407      3.762137
  H      -7.036097     -0.335848      3.236843
  H      -6.791789      1.406649      3.014170
  H      -5.717649      2.057620     -1.244304
  H      -4.716041     -2.337578     -2.133812
  H      -4.704226     -4.439965     -0.779931
  H      -5.327900     -4.377161      1.629223
  H      -5.944911     -2.242865      2.707860
  H      -4.689576      5.921583      6.231669
  H      -3.269942      6.168321      7.258440
  H      -2.631227      8.201434      5.978795
  H      -4.275144      8.308121      6.621666
  H      -4.149313      9.178660      4.312711
  H      -3.498031      7.631102      3.731041
  H      -8.553268      8.502268      5.301804
  H      -8.808334      4.929638      2.444212
  H      -7.108683      3.470309      1.285136
  H      -4.701452      3.990711      1.470522
  H      -3.921509      5.914093      2.801107
  H      -6.231073      2.251556      7.019770
  H      -6.391486      2.611863      5.291939
  H      -6.534349      4.784636      7.420781
  H      -6.936792      4.924630      5.705005
  H      -8.437592      3.187071      7.755466
  H      -8.903535      4.813852      7.302325
  H      -9.034152      2.092808      2.814919
  H     -13.422236      2.230680      4.159402
  H     -14.595090      2.970658      6.239612
  H     -13.288820      3.884553      8.152257
  H     -10.830815      4.081456      8.008840
  N      -2.368841      3.930459      3.062775
  N      -1.735849      4.272208      2.038980
  H      -1.373912      3.446960      1.513691
98
Coordinates from ORCA-job orca E -6258.452228289452
  N      -3.093544      1.601858      4.552893
  Mo     -3.435772      3.682546      4.518845
  N      -4.661375      3.384802      6.151821
  C      -3.927664      3.254133      7.401162
  C      -2.583309      2.565083      7.150913
  N      -1.858840      3.199587      5.991387
  C      -0.919165      2.235258      5.345416
  C      -1.688873      1.329843      4.353588
  C      -1.144270      4.447553      6.430441
  C      -1.458961      5.558730      5.432364
  N      -2.899718      5.516239      5.230060
  H      -1.351759      1.554388      3.321300
  H      -1.457736      0.265129      4.549277
  H      -0.170093      2.827374      4.805426
  H      -0.401589      1.660622      6.131671
  H      -1.113604      6.528834      5.832764
  H      -0.939734      5.380671      4.478785
  H      -1.542637      4.723685      7.416666
  H      -0.067771      4.240647      6.547038
  H      -4.481303      2.628964      8.128868
  H      -3.763605      4.228691      7.910458
  H      -2.767358      1.524047      6.866915
  H      -1.927562      2.594928      8.038747
  C      -4.000173      1.419911      3.469982
  C      -5.096062      0.394131      3.782094
  C      -6.319997      0.463552      2.851279
  C      -5.989550      0.245493      1.401796
  N      -5.982573      1.314355      0.611071
  C      -5.630260      1.133021     -0.689996
  N      -5.279244      0.010129     -1.283006
  C      -5.297827     -1.109224     -0.497613
  C      -4.949816     -2.357573     -1.069742
  C      -4.974920     -3.501770     -0.300441
  C      -5.351488     -3.446017      1.062141
  C      -5.690352     -2.242347      1.645427
  C      -5.665361     -1.047898      0.883502
  C      -3.643774      6.298454      6.209000
  C      -3.633874      7.798273      5.871284
  C      -4.150312      8.105741      4.455309
  C      -5.562663      7.633286      4.256227
  N      -6.508616      8.325536      4.889075
  C      -7.792785      7.917541      4.734890
  N      -8.242049      6.914457      4.004297
  C      -7.289724      6.185311      3.348081
  C      -7.699970      5.086277      2.552046
  C      -6.764936      4.296291      1.922316
  C      -5.384512      4.590321      2.037412
  C      -4.951950      5.677812      2.778769
  C      -5.897923      6.495869      3.459865
  C      -6.066899      3.052673      6.209033
  C      -6.981888      4.237181      6.572272
  C      -8.426481      3.879969      6.933704
  C      -9.309979      3.334953      5.840774
  N      -8.756535      2.920287      4.709344
  C      -9.578089      2.424873      3.746006
  N     -10.888135      2.302421      3.782674
  C     -11.490236      2.721913      4.938297
  C     -12.898278      2.622155      5.053105
  C     -13.528875      3.027886      6.211008
  C     -12.780514      3.545972      7.293177
  C     -11.407386      3.658459      7.203998
  C     -10.730595      3.252971      6.026450
  H      -3.511693      1.231779      2.493675
  H      -4.572965      2.408430      3.282667
  H      -5.424358      0.564294      4.816929
  H      -4.634135     -0.604923      3.749707
  H      -7.059598     -0.280581      3.184344
  H      -6.785102      1.455405      2.945596
  H      -5.637750      2.039902     -1.304204
  H      -4.671948     -2.377806     -2.124346
  H      -4.708766     -4.462329     -0.744637
  H      -5.375057     -4.362930      1.652403
  H      -5.985426     -2.209034      2.694350
  H      -4.680448      5.936727      6.214067
  H      -3.264828      6.179828      7.246761
  H      -2.617359      8.211332      5.967845
  H      -4.263354      8.322962      6.608088
  H      -4.137829      9.194996      4.300738
  H      -3.478487      7.649446      3.719431
  H      -8.541271      8.502140      5.280823
  H      -8.769410      4.886111      2.474976
  H      -7.058225      3.428426      1.330042
  H      -4.659090      3.981775      1.495784
  H      -3.893199      5.928375      2.799071
  H      -6.241325      2.236549      6.945297
  H      -6.398149      2.667156      5.233758
  H      -6.545762      4.759396      7.439453
  H      -6.975942      4.951969      5.736295
  H      -8.429956      3.142361      7.759333
  H      -8.919981      4.774310      7.349031
  H      -9.076156      2.091997      2.829653
  H     -13.454242      2.218734      4.205836
  H     -14.614059      2.950478      6.296293
  H     -13.295147      3.859790      8.202649
  H     -10.839425      4.059055      8.043640
  N      -2.347627      3.933630      3.058345
  N      -1.696313      4.259001      2.040237
  H      -1.338780      3.423609      1.527782
98
Coordinates from ORCA-job orca E -6258.452519011036
  N      -3.112925      1.605918      4.547417
  Mo     -3.435126      3.693149      4.505300
  N      -4.676519      3.407420      6.128082
  C      -3.954034      3.268575      7.383132
  C      -2.613444      2.569366      7.144110
  N      -1.874654      3.197446      5.991168
  C      -0.937861      2.225932      5.351889
  C      -1.708918      1.322044      4.358612
  C      -1.152198      4.439118      6.435627
  C      -1.450010      5.551200      5.433512
  N      -2.889753      5.521036      5.220559
  H      -1.362258      1.538348      3.327563
  H      -1.487918      0.255980      4.560179
  H      -0.182225      2.812627      4.814824
  H      -0.426602      1.648782      6.140941
  H      -1.099375      6.519541      5.835120
  H      -0.925354      5.367146      4.483948
  H      -1.556407      4.721580      7.417604
  H      -0.078205      4.223701      6.561676
  H      -4.520172      2.646663      8.103736
  H      -3.787176      4.240213      7.896294
  H      -2.803086      1.529636      6.859617
  H      -1.964273      2.595268      8.037126
  C      -4.012757      1.428772      3.458166
  C      -5.125040      0.417790      3.761542
  C      -6.329979      0.489397      2.805272
  C      -5.972165      0.252277      1.364361
  N      -5.936411      1.312440      0.563749
  C      -5.562043      1.112796     -0.729418
  N      -5.210571     -0.019935     -1.303212
  C      -5.255296     -1.130929     -0.506005
  C      -4.907005     -2.389104     -1.055886
  C      -4.959077     -3.523567     -0.273640
  C      -5.363933     -3.448246      1.080300
  C      -5.704127     -2.234930      1.642415
  C      -5.650942     -1.049343      0.866945
  C      -3.633654      6.302414      6.197941
  C      -3.621229      7.803252      5.867450
  C      -4.133137      8.125647      4.453198
  C      -5.544294      7.653523      4.245253
  N      -6.496227      8.341556      4.875682
  C      -7.778262      7.927377      4.719876
  N      -8.220650      6.921100      3.989167
  C      -7.263287      6.197538      3.335844
  C      -7.667696      5.096977      2.536779
  C      -6.728334      4.316008      1.902991
  C      -5.349575      4.619406      2.018505
  C      -4.922774      5.705575      2.765596
  C      -5.873120      6.516373      3.448776
  C      -6.081520      3.071964      6.173639
  C      -7.001024      4.235850      6.590038
  C      -8.438241      3.853315      6.961880
  C      -9.331763      3.327641      5.867220
  N      -8.787986      2.931681      4.725180
  C      -9.615803      2.443616      3.764016
  N     -10.923944      2.309929      3.812646
  C     -11.517505      2.713397      4.979001
  C     -12.923946      2.602553      5.106297
  C     -13.546484      2.992345      6.274133
  C     -12.791257      3.505339      7.353668
  C     -11.419679      3.627885      7.252681
  C     -10.750578      3.237886      6.065276
  H      -3.516404      1.229450      2.487629
  H      -4.570358      2.422262      3.261307
  H      -5.471836      0.603066      4.787594
  H      -4.673774     -0.586498      3.748697
  H      -7.084595     -0.242364      3.132120
  H      -6.785957      1.487628      2.880521
  H      -5.548905      2.011657     -1.354991
  H      -4.607357     -2.424843     -2.104414
  H      -4.692277     -4.491730     -0.700870
  H      -5.408778     -4.358146      1.680658
  H      -6.021117     -2.186545      2.684556
  H      -4.669892      5.941129      6.199587
  H      -3.255939      6.179788      7.235557
  H      -2.602048      8.210511      5.965201
  H      -4.249269      8.325054      6.607151
  H      -4.122595      9.216671      4.309580
  H      -3.458745      7.676751      3.714800
  H      -8.530592      8.509878      5.263419
  H      -8.735630      4.892471      2.457268
  H      -7.017540      3.452766      1.302362
  H      -4.621270      4.022123      1.468910
  H      -3.864970      5.963635      2.780018
  H      -6.254079      2.223964      6.874051
  H      -6.409568      2.726039      5.182991
  H      -6.556497      4.729796      7.469417
  H      -7.014304      4.983065      5.782401
  H      -8.420666      3.090830      7.764410
  H      -8.933970      4.729686      7.411508
  H      -9.120567      2.126968      2.837749
  H     -13.484629      2.203752      4.259899
  H     -14.630490      2.906698      6.368986
  H     -13.299081      3.808019      8.271018
  H     -10.847702      4.024402      8.091576
  N      -2.334501      3.928749      3.052590
  N      -1.670057      4.238725      2.037467
  H      -1.318239      3.394956      1.537344
98
Coordinates from ORCA-job orca E -6258.452749459854
  N      -3.129700      1.619329      4.536651
  Mo     -3.434054      3.710970      4.492787
  N      -4.694737      3.432583      6.101235
  C      -3.988368      3.281552      7.364611
  C      -2.650493      2.572488      7.139767
  N      -1.894339      3.197951      5.996421
  C      -0.958286      2.221117      5.364693
  C      -1.726046      1.324205      4.363072
  C      -1.167307      4.432206      6.452167
  C      -1.444181      5.550117      5.449040
  N      -2.881397      5.531974      5.219114
  H      -1.367240      1.538304      3.335806
  H      -1.515944      0.256472      4.566690
  H      -0.194387      2.803977      4.835491
  H      -0.458553      1.639993      6.157944
  H      -1.091060      6.514366      5.857422
  H      -0.910302      5.364984      4.504771
  H      -1.581128      4.714728      7.430063
  H      -0.097571      4.206526      6.590631
  H      -4.568455      2.661200      8.075841
  H      -3.820623      4.249952      7.883655
  H      -2.844818      1.534998      6.850747
  H      -2.011859      2.590800      8.040386
  C      -4.017875      1.450311      3.436584
  C      -5.141488      0.449263      3.729022
  C      -6.332043      0.522772      2.755416
  C      -5.953329      0.267221      1.323497
  N      -5.890423      1.317536      0.510401
  C      -5.495385      1.097220     -0.773302
  N      -5.149605     -0.047417     -1.326693
  C      -5.222761     -1.147878     -0.517280
  C      -4.881550     -2.416836     -1.046744
  C      -4.961746     -3.541730     -0.252597
  C      -5.388677     -3.445492      1.093027
  C      -5.722357     -2.220995      1.634909
  C      -5.640612     -1.045080      0.846945
  C      -3.632677      6.316399      6.190852
  C      -3.610419      7.816428      5.859724
  C      -4.115235      8.134292      4.441338
  C      -5.523852      7.656189      4.229085
  N      -6.480259      8.343979      4.852666
  C      -7.759581      7.921692      4.697179
  N      -8.194480      6.904777      3.976900
  C      -7.232437      6.182148      3.327983
  C      -7.630013      5.074973      2.535280
  C      -6.686791      4.302536      1.896275
  C      -5.309212      4.618659      2.003686
  C      -4.888667      5.708710      2.749043
  C      -5.844925      6.512515      3.435939
  C      -6.098662      3.094061      6.129625
  C      -7.018756      4.236127      6.602442
  C      -8.445508      3.831130      6.986354
  C      -9.350527      3.321066      5.893930
  N      -8.817963      2.939097      4.740988
  C      -9.654637      2.459616      3.782753
  N     -10.962221      2.320161      3.845082
  C     -11.543959      2.709024      5.022423
  C     -12.948351      2.590890      5.164239
  C     -13.559512      2.965101      6.343196
  C     -12.794382      3.469285      7.420222
  C     -11.424508      3.598869      7.305236
  C     -10.766994      3.225169      6.106012
  H      -3.512524      1.245394      2.471737
  H      -4.562948      2.450183      3.233402
  H      -5.501252      0.640809      4.749358
  H      -4.698068     -0.558660      3.726590
  H      -7.097267     -0.200242      3.077483
  H      -6.781549      1.524093      2.814146
  H      -5.459992      1.987276     -1.410195
  H      -4.564494     -2.468058     -2.089334
  H      -4.700377     -4.518245     -0.663972
  H      -5.455577     -4.347687      1.702905
  H      -6.056484     -2.156471      2.670751
  H      -4.671449      5.958821      6.182995
  H      -3.266021      6.192018      7.232018
  H      -2.589978      8.219470      5.962016
  H      -4.239541      8.342498      6.595545
  H      -4.104993      9.224358      4.293929
  H      -3.436007      7.683607      3.708322
  H      -8.516692      8.506014      5.231434
  H      -8.696564      4.861983      2.461396
  H      -6.970290      3.438257      1.293456
  H      -4.578557      4.030041      1.445934
  H      -3.834338      5.977685      2.755102
  H      -6.271106      2.212998      6.789402
  H      -6.425346      2.793999      5.124280
  H      -6.562367      4.700766      7.491856
  H      -7.049897      5.011290      5.822821
  H      -8.405918      3.048195      7.768391
  H      -8.941564      4.689655      7.466926
  H      -9.168767      2.152314      2.849443
  H     -13.516703      2.198786      4.319594
  H     -14.641935      2.873404      6.449361
  H     -13.293161      3.759456      8.346508
  H     -10.844863      3.988639      8.142147
  N      -2.312261      3.939484      3.055868
  N      -1.625812      4.236729      2.051820
  H      -1.276116      3.387175      1.559345
98
Coordinates from ORCA-job orca E -6258.452957414980
  N      -3.157757      1.622880      4.544146
  Mo     -3.434585      3.720546      4.478471
  N      -4.713554      3.469346      6.076396
  C      -4.021152      3.309715      7.347250
  C      -2.686714      2.589413      7.138929
  N      -1.913674      3.200073      5.998469
  C      -0.983747      2.209492      5.379692
  C      -1.756375      1.308556      4.385210
  C      -1.174415      4.427340      6.451473
  C      -1.433108      5.542089      5.438008
  N      -2.870304      5.540669      5.201409
  H      -1.389456      1.505888      3.357330
  H      -1.560462      0.241036      4.603322
  H      -0.214380      2.782098      4.847536
  H      -0.489920      1.631925      6.179270
  H      -1.069878      6.505670      5.838985
  H      -0.899051      5.343189      4.496593
  H      -1.591253      4.721612      7.424470
  H      -0.109706      4.188217      6.599354
  H      -4.614150      2.691574      8.050656
  H      -3.853530      4.275732      7.870936
  H      -2.886956      1.551793      6.855739
  H      -2.057071      2.608550      8.045603
  C      -4.036963      1.453046      3.437130
  C      -5.176600      0.469955      3.726534
  C      -6.345509      0.536072      2.725935
  C      -5.932041      0.271833      1.305900
  N      -5.828034      1.321991      0.495525
  C      -5.400615      1.095573     -0.776847
  N      -5.061073     -0.055829     -1.319842
  C      -5.175586     -1.156200     -0.513282
  C      -4.842104     -2.430300     -1.033948
  C      -4.962628     -3.554220     -0.242259
  C      -5.423291     -3.451290      1.091597
  C      -5.751078     -2.221261      1.624405
  C      -5.628682     -1.046191      0.838661
  C      -3.612255      6.333862      6.175567
  C      -3.581161      7.832731      5.840889
  C      -4.093559      8.147658      4.423952
  C      -5.500777      7.659420      4.221779
  N      -6.456862      8.342710      4.850912
  C      -7.734562      7.914928      4.703204
  N      -8.167955      6.894818      3.985521
  C      -7.207664      6.178982      3.326801
  C      -7.604075      5.080055      2.521393
  C      -6.661090      4.327872      1.857588
  C      -5.283720      4.648435      1.961710
  C      -4.865266      5.727024      2.723501
  C      -5.821569      6.516950      3.426735
  C      -6.117841      3.135486      6.094915
  C      -7.039917      4.249326      6.625494
  C      -8.453329      3.808405      7.015790
  C      -9.365432      3.323455      5.917203
  N      -8.839965      2.980377      4.748604
  C      -9.679377      2.516237      3.784708
  N     -10.983575      2.350023      3.859388
  C     -11.558691      2.700864      5.052722
  C     -12.959280      2.555751      5.205455
  C     -13.565821      2.895782      6.397269
  C     -12.798562      3.390997      7.476829
  C     -11.431764      3.544314      7.352207
  C     -10.778998      3.205445      6.140128
  H      -3.523267      1.228848      2.480613
  H      -4.562124      2.460157      3.217428
  H      -5.558726      0.683378      4.734260
  H      -4.745140     -0.542883      3.751793
  H      -7.118913     -0.183993      3.035385
  H      -6.794801      1.537229      2.767796
  H      -5.331543      1.982595     -1.415116
  H      -4.498360     -2.486778     -2.067693
  H      -4.706763     -4.534784     -0.646881
  H      -5.521078     -4.352494      1.699349
  H      -6.110998     -2.151907      2.651374
  H      -4.654479      5.982630      6.177347
  H      -3.238467      6.211404      7.213844
  H      -2.556048      8.226562      5.935373
  H      -4.201581      8.364879      6.579289
  H      -4.092399      9.237573      4.274429
  H      -3.414903      7.700911      3.688158
  H      -8.491084      8.498111      5.239290
  H      -8.669413      4.862535      2.451515
  H      -6.950123      3.480470      1.233309
  H      -4.552409      4.075771      1.387786
  H      -3.813795      5.999985      2.726531
  H      -6.288083      2.223654      6.714035
  H      -6.442940      2.879462      5.076773
  H      -6.576729      4.682454      7.527970
  H      -7.090882      5.057364      5.881429
  H      -8.386264      2.993685      7.762875
  H      -8.953276      4.637439      7.539636
  H      -9.199389      2.246688      2.837577
  H     -13.528070      2.171933      4.357215
  H     -14.645547      2.783942      6.511742
  H     -13.292637      3.656276      8.413030
  H     -10.852544      3.927593      8.192415
  N      -2.301339      3.924437      3.048952
  N      -1.608062      4.192793      2.041856
  H      -1.273361      3.328201      1.563717
98
Coordinates from ORCA-job orca E -6258.453175535986
  N      -3.177015      1.633949      4.536846
  Mo     -3.429273      3.734723      4.464178
  N      -4.731713      3.497426      6.045609
  C      -4.058794      3.330509      7.326143
  C      -2.729005      2.595951      7.136933
  N      -1.934571      3.197749      6.006441
  C      -1.007737      2.196547      5.400647
  C      -1.777657      1.302021      4.398746
  C      -1.188312      4.416710      6.468519
  C      -1.421780      5.534833      5.452600
  N      -2.855323      5.548912      5.195904
  H      -1.394728      1.492113      3.375413
  H      -1.597578      0.233010      4.622659
  H      -0.226386      2.760310      4.876519
  H      -0.529427      1.615466      6.207016
  H      -1.053136      6.494078      5.858809
  H      -0.877778      5.330751      4.518101
  H      -1.614518      4.715429      7.436097
  H      -0.128162      4.165864      6.630231
  H      -4.667631      2.718428      8.021296
  H      -3.888899      4.295045      7.851432
  H      -2.936355      1.560154      6.851701
  H      -2.111528      2.609069      8.051935
  C      -4.041800      1.470545      3.417960
  C      -5.194603      0.498938      3.695278
  C      -6.348140      0.567735      2.677403
  C      -5.916497      0.286396      1.266881
  N      -5.790101      1.327345      0.448479
  C      -5.346805      1.084078     -0.814397
  N      -5.010222     -0.075715     -1.340908
  C      -5.146919     -1.166713     -0.526135
  C      -4.817179     -2.448553     -1.029828
  C      -4.959347     -3.563868     -0.229756
  C      -5.438492     -3.443748      1.095578
  C      -5.762905     -2.205551      1.611751
  C      -5.619160     -1.039397      0.817125
  C      -3.603464      6.343406      6.163337
  C      -3.567157      7.842833      5.831404
  C      -4.074775      8.164992      4.413581
  C      -5.480336      7.676415      4.201305
  N      -6.442502      8.361365      4.818304
  C      -7.717766      7.929136      4.662126
  N      -8.143055      6.902219      3.949838
  C      -7.176390      6.184160      3.304297
  C      -7.562946      5.077278      2.506493
  C      -6.612756      4.323138      1.855366
  C      -5.237031      4.649849      1.963872
  C      -4.827270      5.736184      2.719559
  C      -5.791939      6.527437      3.411515
  C      -6.134899      3.160917      6.045119
  C      -7.059263      4.251126      6.620598
  C      -8.460868      3.788180      7.028266
  C      -9.388203      3.306622      5.941215
  N      -8.879183      2.971708      4.763382
  C      -9.730314      2.506234      3.810620
  N     -11.032564      2.335723      3.902906
  C     -11.591490      2.679360      5.105712
  C     -12.989182      2.528768      5.277284
  C     -13.579960      2.860288      6.479458
  C     -12.798826      3.351388      7.550995
  C     -11.434328      3.509824      7.408095
  C     -10.797788      3.180894      6.184672
  H      -3.517002      1.239227      2.469445
  H      -4.554262      2.481696      3.190202
  H      -5.590368      0.721226      4.695750
  H      -4.772894     -0.517646      3.732914
  H      -7.132494     -0.142605      2.981163
  H      -6.789554      1.573025      2.704481
  H      -5.259877      1.963669     -1.459933
  H      -4.458562     -2.518115     -2.057314
  H      -4.706166     -4.550672     -0.621070
  H      -5.552915     -4.338000      1.710308
  H      -6.136153     -2.123475      2.632675
  H      -4.646153      5.993886      6.155827
  H      -3.238829      6.219572      7.204595
  H      -2.541922      8.233959      5.931372
  H      -4.189338      8.373326      6.569591
  H      -4.073370      9.255785      4.271832
  H      -3.392792      7.723172      3.678486
  H      -8.480630      8.513151      5.186820
  H      -8.627377      4.855732      2.430860
  H      -6.893566      3.469295      1.237074
  H      -4.500273      4.076557      1.397562
  H      -3.776168      6.014670      2.725157
  H      -6.305857      2.223760      6.625995
  H      -6.456986      2.947627      5.016687
  H      -6.584147      4.665620      7.525693
  H      -7.131111      5.077896      5.899064
  H      -8.370206      2.963385      7.762014
  H      -8.960403      4.603325      7.573659
  H      -9.263156      2.244451      2.854410
  H     -13.568573      2.147665      4.435010
  H     -14.657495      2.744448      6.608454
  H     -13.280352      3.609132      8.495850
  H     -10.844654      3.889707      8.242543
  N      -2.270176      3.922553      3.052335
  N      -1.560088      4.180042      2.055350
  H      -1.226408      3.311581      1.586036
98
Coordinates from ORCA-job orca E -6258.453322019460
  N      -3.206697      1.645288      4.536250
  Mo     -3.430893      3.745583      4.452811
  N      -4.753599      3.531875      6.018970
  C      -4.096859      3.359095      7.307792
  C      -2.773258      2.608639      7.136032
  N      -1.958679      3.195886      6.012714
  C      -1.038652      2.180126      5.420067
  C      -1.811173      1.289728      4.416791
  C      -1.200965      4.406965      6.479135
  C      -1.409736      5.524308      5.458853
  N      -2.839868      5.554975      5.187924
  H      -1.414514      1.467117      3.396346
  H      -1.650751      0.219549      4.650088
  H      -0.247039      2.732588      4.898979
  H      -0.573654      1.598407      6.233940
  H      -1.033761      6.480733      5.866036
  H      -0.858792      5.311151      4.530525
  H      -1.633475      4.714913      7.441130
  H      -0.145347      4.142532      6.652136
  H      -4.720612      2.754987      7.996020
  H      -3.923925      4.322219      7.833724
  H      -2.989944      1.574192      6.852183
  H      -2.166092      2.618023      8.058216
  C      -4.060485      1.483745      3.407983
  C      -5.222754      0.520243      3.674322
  C      -6.360395      0.585319      2.636748
  C      -5.902098      0.297154      1.235126
  N      -5.747425      1.333020      0.416095
  C      -5.278018      1.080223     -0.835899
  N      -4.938900     -0.084171     -1.350807
  C      -5.102683     -1.169797     -0.534729
  C      -4.770995     -2.456583     -1.025464
  C      -4.938397     -3.566617     -0.223800
  C      -5.445143     -3.436135      1.090568
  C      -5.772254     -2.193343      1.594150
  C      -5.603920     -1.032403      0.797487
  C      -3.588339      6.358012      6.146921
  C      -3.540290      7.855753      5.809156
  C      -4.041657      8.173384      4.389078
  C      -5.447569      7.686374      4.179704
  N      -6.409748      8.370755      4.796686
  C      -7.683404      7.930136      4.649877
  N      -8.107151      6.894458      3.949136
  C      -7.140388      6.178163      3.304039
  C      -7.525144      5.060538      2.519819
  C      -6.574739      4.308447      1.867734
  C      -5.201222      4.646325      1.962384
  C      -4.793222      5.741353      2.707471
  C      -5.757867      6.530793      3.400252
  C      -6.156441      3.195422      6.000110
  C      -7.081946      4.265225      6.612273
  C      -8.473777      3.781428      7.033714
  C      -9.414781      3.310546      5.954338
  N      -8.923018      3.001355      4.762513
  C      -9.785084      2.539171      3.818734
  N     -11.082653      2.349321      3.931005
  C     -11.624297      2.668286      5.147957
  C     -13.016783      2.496178      5.342149
  C     -13.590812      2.803269      6.559147
  C     -12.797395      3.290452      7.623614
  C     -11.437810      3.468466      7.459206
  C     -10.818243      3.164618      6.220171
  H      -3.526662      1.246599      2.466209
  H      -4.563229      2.497372      3.176367
  H      -5.632777      0.752018      4.666774
  H      -4.807460     -0.498557      3.725069
  H      -7.148368     -0.124816      2.930066
  H      -6.803652      1.590910      2.653118
  H      -5.166627      1.956529     -1.482748
  H      -4.389860     -2.533885     -2.044528
  H      -4.683656     -4.557287     -0.604954
  H      -5.578846     -4.326347      1.707018
  H      -6.166093     -2.104040      2.606869
  H      -4.632298      6.016120      6.133221
  H      -3.229943      6.232896      7.190392
  H      -2.512419      8.239755      5.909188
  H      -4.159751      8.394422      6.543760
  H      -4.036061      9.263327      4.241399
  H      -3.359370      7.724937      3.658096
  H      -8.446769      8.512204      5.175758
  H      -8.588282      4.829611      2.455567
  H      -6.852764      3.445870      1.260710
  H      -4.466246      4.075014      1.392673
  H      -3.743324      6.029865      2.701845
  H      -6.332622      2.238314      6.546421
  H      -6.472913      3.018871      4.963161
  H      -6.595831      4.662387      7.518792
  H      -7.175581      5.110183      5.913896
  H      -8.362780      2.945335      7.751582
  H      -8.974255      4.581432      7.601669
  H      -9.331752      2.295664      2.850993
  H     -13.605463      2.118571      4.504696
  H     -14.664355      2.671212      6.705668
  H     -13.265656      3.528678      8.580732
  H     -10.838869      3.843970      8.289216
  N      -2.256101      3.914899      3.048897
  N      -1.541277      4.169503      2.052382
  H      -1.206564      3.299318      1.587821
98
Coordinates from ORCA-job orca E -6258.453451894267
  N      -3.232842      1.643664      4.544950
  Mo     -3.430348      3.741360      4.444317
  N      -4.774749      3.555767      5.997930
  C      -4.133456      3.383706      7.295286
  C      -2.816807      2.616372      7.143780
  N      -1.981655      3.184807      6.026025
  C      -1.068662      2.152927      5.451177
  C      -1.842267      1.262853      4.449309
  C      -1.212390      4.388418      6.491791
  C      -1.396368      5.502050      5.464020
  N      -2.822247      5.551091      5.177479
  H      -1.429502      1.421448      3.432007
  H      -1.703212      0.193156      4.697820
  H      -0.266885      2.691481      4.930897
  H      -0.616671      1.574103      6.274368
  H      -1.010546      6.455393      5.869305
  H      -0.838247      5.275589      4.542978
  H      -1.648496      4.707771      7.448542
  H      -0.161634      4.111416      6.675636
  H      -4.770270      2.790631      7.980925
  H      -3.956137      4.348123      7.816787
  H      -3.042683      1.582453      6.864836
  H      -2.220671      2.625693      8.073177
  C      -4.073540      1.478883      3.406424
  C      -5.237593      0.514578      3.663891
  C      -6.360330      0.565936      2.609646
  C      -5.880634      0.280918      1.215062
  N      -5.715234      1.320785      0.403751
  C      -5.228183      1.075725     -0.841661
  N      -4.881251     -0.085380     -1.359023
  C      -5.055600     -1.175242     -0.551255
  C      -4.717234     -2.459110     -1.045249
  C      -4.894005     -3.573676     -0.252196
  C      -5.416592     -3.450579      1.056689
  C      -5.750866     -2.210958      1.563407
  C      -5.574320     -1.046096      0.775511
  C      -3.569808      6.363434      6.128433
  C      -3.505357      7.860517      5.786988
  C      -4.008289      8.189105      4.369677
  C      -5.420022      7.720885      4.158401
  N      -6.375345      8.425875      4.762903
  C      -7.654958      8.001845      4.614123
  N      -8.090779      6.965660      3.921460
  C      -7.130545      6.229072      3.288708
  C      -7.526910      5.110446      2.512194
  C      -6.583676      4.340219      1.871427
  C      -5.206006      4.658598      1.970190
  C      -4.786379      5.754569      2.707848
  C      -5.743241      6.562682      3.388410
  C      -6.179035      3.225992      5.966884
  C      -7.103340      4.291040      6.589193
  C      -8.484956      3.797472      7.031574
  C      -9.436954      3.317341      5.967394
  N      -8.961464      3.026867      4.764324
  C      -9.833405      2.559067      3.833085
  N     -11.125242      2.346729      3.967331
  C     -11.649962      2.646468      5.196196
  C     -13.035856      2.451633      5.413423
  C     -13.593252      2.742097      6.642191
  C     -12.788743      3.233542      7.695899
  C     -11.434889      3.432269      7.509351
  C     -10.832793      3.147006      6.257488
  H      -3.528360      1.238482      2.472187
  H      -4.573843      2.489986      3.168612
  H      -5.664683      0.753763      4.647311
  H      -4.818829     -0.502050      3.730405
  H      -7.144620     -0.151657      2.893877
  H      -6.813636      1.567106      2.617695
  H      -5.107641      1.957123     -1.480189
  H      -4.323129     -2.530979     -2.059867
  H      -4.634760     -4.562097     -0.635843
  H      -5.557216     -4.344164      1.666441
  H      -6.156737     -2.128098      2.572065
  H      -4.616053      6.030587      6.110329
  H      -3.218343      6.240399      7.174744
  H      -2.473460      8.233123      5.885338
  H      -4.117591      8.405461      6.523594
  H      -3.990641      9.279902      4.229040
  H      -3.332838      7.737219      3.634616
  H      -8.413970      8.600384      5.129042
  H      -8.592997      4.891900      2.445056
  H      -6.871664      3.476290      1.271415
  H      -4.476508      4.072659      1.410229
  H      -3.733931      6.031693      2.705106
  H      -6.362635      2.262735      6.500031
  H      -6.492068      3.065120      4.925847
  H      -6.608963      4.692937      7.488665
  H      -7.214611      5.135422      5.892499
  H      -8.357794      2.964851      7.750557
  H      -8.984976      4.595326      7.603741
  H      -9.394497      2.330959      2.854845
  H     -13.633208      2.071237      4.583852
  H     -14.661976      2.593349      6.806483
  H     -13.243618      3.457919      8.662593
  H     -10.827440      3.809990      8.331838
  N      -2.245522      3.892166      3.048481
  N      -1.538438      4.143049      2.045019
  H      -1.203472      3.270036      1.584332
98
Coordinates from ORCA-job orca E -6258.453566791495
  N      -3.275818      1.642885      4.559536
  Mo     -3.439913      3.740738      4.436269
  N      -4.804681      3.593112      5.976487
  C      -4.179304      3.420100      7.282049
  C      -2.872844      2.631617      7.152025
  N      -2.015535      3.176165      6.039500
  C      -1.113461      2.124080      5.485943
  C      -1.891767      1.234183      4.487621
  C      -1.230879      4.370845      6.501385
  C      -1.388961      5.478820      5.462890
  N      -2.811144      5.548203      5.163438
  H      -1.463194      1.369786      3.473176
  H      -1.776845      0.165609      4.753261
  H      -0.299347      2.643792      4.965421
  H      -0.677006      1.548954      6.320109
  H      -0.990999      6.429289      5.863347
  H      -0.826111      5.234989      4.548881
  H      -1.666851      4.703911      7.453485
  H      -0.185382      4.080280      6.693884
  H      -4.832313      2.842160      7.965550
  H      -3.993013      4.385680      7.797814
  H      -3.111058      1.598705      6.880179
  H      -2.288108      2.640952      8.088653
  C      -4.102693      1.475831      3.410488
  C      -5.274091      0.516827      3.655605
  C      -6.376747      0.559228      2.579822
  C      -5.866208      0.284455      1.193884
  N      -5.687510      1.330583      0.392251
  C      -5.172465      1.094293     -0.843712
  N      -4.812677     -0.063099     -1.361317
  C      -5.000322     -1.158312     -0.563907
  C      -4.648503     -2.438531     -1.058421
  C      -4.835237     -3.558248     -0.274755
  C      -5.381440     -3.444166      1.025208
  C      -5.730644     -2.208583      1.532083
  C      -5.545155     -1.038811      0.753531
  C      -3.550598      6.378619      6.105589
  C      -3.466207      7.871542      5.750066
  C      -3.964586      8.191075      4.329673
  C      -5.378053      7.725830      4.124472
  N      -6.330609      8.441044      4.722523
  C      -7.612206      8.021285      4.579014
  N      -8.052972      6.982106      3.894301
  C      -7.095571      6.236097      3.266759
  C      -7.497711      5.114744      2.496838
  C      -6.558208      4.336885      1.859952
  C      -5.178738      4.647840      1.957237
  C      -4.753381      5.744513      2.691263
  C      -5.706553      6.562806      3.364121
  C      -6.210422      3.272569      5.932041
  C      -7.129938      4.324362      6.585002
  C      -8.498844      3.814171      7.046156
  C      -9.463632      3.340663      5.991013
  N      -9.007174      3.091224      4.771397
  C      -9.888942      2.626372      3.847499
  N     -11.173226      2.382099      4.003415
  C     -11.678513      2.640412      5.249775
  C     -13.055895      2.411189      5.490567
  C     -13.593390      2.660883      6.736837
  C     -12.776734      3.143594      7.785369
  C     -11.430671      3.374718      7.576221
  C     -10.849350      3.132794      6.305734
  H      -3.545353      1.226609      2.485564
  H      -4.594566      2.486528      3.162433
  H      -5.720073      0.765980      4.628060
  H      -4.858195     -0.499750      3.739238
  H      -7.157693     -0.168268      2.847206
  H      -6.840847      1.555129      2.580980
  H      -5.040281      1.979835     -1.474274
  H      -4.235356     -2.503713     -2.065728
  H      -4.565526     -4.543674     -0.658802
  H      -5.528906     -4.341679      1.627886
  H      -6.154685     -2.132943      2.533712
  H      -4.601301      6.058927      6.090749
  H      -3.200202      6.262421      7.152966
  H      -2.430318      8.232996      5.847858
  H      -4.074521      8.430920      6.479249
  H      -3.943038      9.280760      4.179486
  H      -3.291197      7.730846      3.597638
  H      -8.368783      8.626396      5.090625
  H      -8.564735      4.900635      2.430212
  H      -6.853347      3.475343      1.259282
  H      -4.452508      4.057114      1.398892
  H      -3.700360      6.016947      2.691002
  H      -6.401705      2.294576      6.435275
  H      -6.521318      3.145651      4.885394
  H      -6.622271      4.717722      7.480718
  H      -7.261697      5.177321      5.902584
  H      -8.351963      2.973134      7.751443
  H      -8.995993      4.599129      7.637370
  H      -9.465878      2.431183      2.855271
  H     -13.663159      2.038369      4.664542
  H     -14.655709      2.486384      6.919111
  H     -13.215772      3.335501      8.765887
  H     -10.813664      3.744859      8.395230
  N      -2.243794      3.865156      3.047913
  N      -1.541180      4.106992      2.039191
  H      -1.207762      3.229517      1.584762
98
Coordinates from ORCA-job orca E -6258.453653949655
  N      -3.313794      1.630640      4.581990
  Mo     -3.459543      3.723065      4.441524
  N      -4.832060      3.608100      5.977176
  C      -4.212021      3.440218      7.285942
  C      -2.914683      2.634785      7.168210
  N      -2.044146      3.158466      6.056324
  C      -1.152347      2.089036      5.521027
  C      -1.936333      1.199098      4.527500
  C      -1.246800      4.347421      6.509627
  C      -1.389923      5.447618      5.460903
  N      -2.809531      5.530998      5.156856
  H      -1.495987      1.315161      3.515257
  H      -1.841031      0.132032      4.806982
  H      -0.327965      2.591091      4.999251
  H      -0.729322      1.518418      6.365111
  H      -0.981802      6.396715      5.854584
  H      -0.826328      5.189031      4.551220
  H      -1.677645      4.691718      7.460066
  H      -0.203964      4.048084      6.703355
  H      -4.873454      2.878272      7.974764
  H      -4.013784      4.409166      7.790887
  H      -3.163863      1.602431      6.904226
  H      -2.335383      2.645792      8.108269
  C      -4.132477      1.455555      3.427742
  C      -5.297079      0.485143      3.662624
  C      -6.388900      0.516305      2.575546
  C      -5.858444      0.272505      1.191269
  N      -5.695709      1.335011      0.407451
  C      -5.162832      1.129851     -0.826632
  N      -4.775000     -0.011719     -1.360283
  C      -4.946278     -1.122941     -0.581559
  C      -4.563770     -2.388185     -1.093007
  C      -4.730398     -3.523605     -0.327591
  C      -5.286432     -3.441279      0.970885
  C      -5.666883     -2.221445      1.493907
  C      -5.503330     -1.036157      0.733894
  C      -3.539415      6.382593      6.087276
  C      -3.432023      7.868246      5.708960
  C      -3.919576      8.171070      4.281059
  C      -5.340172      7.726367      4.079144
  N      -6.280864      8.462561      4.670117
  C      -7.568895      8.061312      4.531896
  N      -8.026616      7.022709      3.857155
  C      -7.080838      6.255456      3.236024
  C      -7.500937      5.129985      2.480433
  C      -6.573281      4.327642      1.855453
  C      -5.188932      4.618664      1.948622
  C      -4.746732      5.718523      2.669005
  C      -5.687154      6.560672      3.330253
  C      -6.241266      3.303562      5.928107
  C      -7.151098      4.370440      6.572581
  C      -8.516888      3.871120      7.052297
  C      -9.489310      3.391041      6.007262
  N      -9.050927      3.181117      4.773359
  C      -9.940548      2.715064      3.856964
  N     -11.216458      2.439686      4.031524
  C     -11.702551      2.656997      5.293067
  C     -13.069891      2.392205      5.556113
  C     -13.585803      2.598673      6.819127
  C     -12.757623      3.072645      7.862997
  C     -11.421421      3.338874      7.632151
  C     -10.862625      3.141560      6.344196
  H      -3.566263      1.210343      2.507015
  H      -4.632980      2.460523      3.180288
  H      -5.755546      0.730556      4.630383
  H      -4.870759     -0.526694      3.750477
  H      -7.154079     -0.233408      2.825867
  H      -6.874994      1.501652      2.582575
  H      -5.042460      2.029249     -1.439638
  H      -4.142819     -2.429061     -2.098405
  H      -4.436797     -4.497137     -0.724758
  H      -5.416747     -4.350910      1.559396
  H      -6.098676     -2.170044      2.493794
  H      -4.594789      6.077795      6.074727
  H      -3.192298      6.276459      7.136611
  H      -2.391742      8.216932      5.806501
  H      -4.035609      8.448778      6.425425
  H      -3.879773      9.257792      4.112785
  H      -3.251371      7.688856      3.558268
  H      -8.314532      8.681467      5.041161
  H      -8.570865      4.930420      2.417487
  H      -6.881955      3.462807      1.265802
  H      -4.471881      4.009437      1.396988
  H      -3.689597      5.975942      2.670766
  H      -6.446596      2.329375      6.432442
  H      -6.549050      3.178621      4.880054
  H      -6.633596      4.776895      7.456574
  H      -7.286723      5.210718      5.875695
  H      -8.368428      3.038673      7.767120
  H      -9.009078      4.663983      7.637426
  H      -9.533108      2.551372      2.852481
  H     -13.687392      2.026840      4.734078
  H     -14.640329      2.396815      7.018453
  H     -13.180297      3.229788      8.856710
  H     -10.793897      3.701981      8.446574
  N      -2.264503      3.835150      3.049124
  N      -1.577750      4.095129      2.033497
  H      -1.235643      3.226341      1.569238
98
Coordinates from ORCA-job orca E -6258.453358725823
  N      -3.351169      1.623154      4.597906
  Mo     -3.466652      3.713999      4.437601
  N      -4.848922      3.639149      5.967180
  C      -4.237616      3.479321      7.280649
  C      -2.954967      2.648854      7.180231
  N      -2.067334      3.143273      6.068095
  C      -1.191363      2.051637      5.554267
  C      -1.982605      1.164939      4.564220
  C      -1.250616      4.321513      6.510599
  C      -1.371575      5.412473      5.448262
  N      -2.788310      5.517608      5.140217
  H      -1.528669      1.258281      3.555371
  H      -1.911139      0.099909      4.858047
  H      -0.352471      2.530249      5.033968
  H      -0.786866      1.483452      6.408730
  H      -0.946978      6.357708      5.832864
  H      -0.809716      5.133407      4.543416
  H      -1.674862      4.681780      7.457993
  H      -0.213388      4.007353      6.707907
  H      -4.911389      2.940126      7.976131
  H      -4.021396      4.452133      7.770825
  H      -3.221088      1.618229      6.927239
  H      -2.382251      2.660812      8.124103
  C      -4.159088      1.444388      3.437017
  C      -5.325920      0.473477      3.661865
  C      -6.402166      0.497807      2.560044
  C      -5.853067      0.266945      1.181546
  N      -5.701737      1.337492      0.405555
  C      -5.152581      1.150283     -0.823678
  N      -4.741038      0.018532     -1.360414
  C      -4.901770     -1.100891     -0.590486
  C      -4.494260     -2.356233     -1.105879
  C      -4.649628     -3.499463     -0.349077
  C      -5.219362     -3.435425      0.944330
  C      -5.624725     -2.225551      1.470937
  C      -5.472637     -1.032597      0.719909
  C      -3.501977      6.391361      6.063944
  C      -3.376633      7.868902      5.660421
  C      -3.878389      8.153996      4.233001
  C      -5.310241      7.733000      4.058289
  N      -6.226704      8.509773      4.635385
  C      -7.525653      8.138317      4.520605
  N      -8.015503      7.092444      3.880658
  C      -7.094679      6.280823      3.276521
  C      -7.549991      5.143357      2.560208
  C      -6.648726      4.296921      1.954382
  C      -5.256364      4.555501      2.026378
  C      -4.780246      5.667050      2.705237
  C      -5.693028      6.553756      3.347687
  C      -6.261087      3.350814      5.913303
  C      -7.167900      4.434282      6.535355
  C      -8.530299      3.942468      7.026779
  C      -9.502916      3.451299      5.986903
  N      -9.081847      3.296985      4.738619
  C      -9.974035      2.831072      3.823778
  N     -11.236448      2.506498      4.014045
  C     -11.703455      2.663710      5.291696
  C     -13.054442      2.342358      5.573345
  C     -13.547930      2.484951      6.853394
  C     -12.713702      2.950375      7.896170
  C     -11.393760      3.273174      7.646926
  C     -10.858602      3.141440      6.341636
  H      -3.582669      1.194393      2.523626
  H      -4.657468      2.447225      3.180704
  H      -5.799475      0.723538      4.621562
  H      -4.898123     -0.536476      3.762041
  H      -7.162989     -0.261037      2.797483
  H      -6.896878      1.478168      2.562204
  H      -5.041951      2.056264     -1.428152
  H      -4.063625     -2.383513     -2.107524
  H      -4.336546     -4.465074     -0.749494
  H      -5.340018     -4.350942      1.525881
  H      -6.067488     -2.187408      2.466566
  H      -4.562610      6.100360      6.064029
  H      -3.149720      6.299496      7.112813
  H      -2.330171      8.203522      5.740370
  H      -3.964026      8.470721      6.372805
  H      -3.822056      9.236743      4.044143
  H      -3.229166      7.647310      3.509940
  H      -8.250101      8.794515      5.015554
  H      -8.624830      4.969697      2.511562
  H      -6.985742      3.423747      1.393056
  H      -4.559228      3.910968      1.489177
  H      -3.718925      5.898339      2.689934
  H      -6.477390      2.385248      6.429337
  H      -6.562656      3.213954      4.864703
  H      -6.648350      4.861891      7.408278
  H      -7.303411      5.254899      5.816378
  H      -8.380400      3.118311      7.750680
  H      -9.021484      4.741758      7.604234
  H      -9.581817      2.714407      2.807131
  H     -13.677955      1.984451      4.752789
  H     -14.589567      2.238202      7.067111
  H     -13.118980      3.056078      8.903078
  H     -10.759896      3.629610      8.459145
  N      -2.268447      3.804348      3.047768
  N      -1.588910      4.065152      2.029405
  H      -1.277057      3.196998      1.542949
98
Coordinates from ORCA-job orca E -6258.453711507832
  N      -3.412621      1.631698      4.611985
  Mo     -3.492394      3.724068      4.444642
  N      -4.876808      3.683550      5.966468
  C      -4.273715      3.522573      7.282785
  C      -3.008940      2.664737      7.192787
  N      -2.107020      3.134471      6.081791
  C      -1.250071      2.022264      5.579598
  C      -2.053115      1.148257      4.587768
  C      -1.269574      4.298650      6.522906
  C      -1.365214      5.383833      5.452334
  N      -2.779118      5.511795      5.140953
  H      -1.591347      1.229386      3.581442
  H      -2.003400      0.082628      4.883982
  H      -0.396045      2.479849      5.065391
  H      -0.866026      1.449083      6.440139
  H      -0.926052      6.324379      5.832666
  H      -0.805911      5.089774      4.551112
  H      -1.691755      4.672838      7.465748
  H      -0.239401      3.965590      6.725872
  H      -4.962089      3.004354      7.979524
  H      -4.037477      4.494595      7.764694
  H      -3.295969      1.638602      6.944978
  H      -2.439913      2.669721      8.139061
  C      -4.215537      1.458416      3.448094
  C      -5.398757      0.505102      3.663194
  C      -6.461257      0.540637      2.546155
  C      -5.891179      0.296495      1.176642
  N      -5.723014      1.354801      0.387602
  C      -5.148622      1.146960     -0.829702
  N      -4.724966      0.007095     -1.338314
  C      -4.901972     -1.099416     -0.553623
  C      -4.480814     -2.362534     -1.037482
  C      -4.652670     -3.492373     -0.264791
  C      -5.253743     -3.407508      1.013565
  C      -5.672336     -2.189718      1.509416
  C      -5.502363     -1.008867      0.741764
  C      -3.477330      6.409194      6.055393
  C      -3.309610      7.880966      5.650252
  C      -3.775351      8.163134      4.210794
  C      -5.212144      7.765202      4.023569
  N      -6.118793      8.537428      4.620028
  C      -7.420554      8.180679      4.500883
  N      -7.921366      7.151350      3.842732
  C      -7.011760      6.345462      3.219249
  C      -7.481699      5.226168      2.482400
  C      -6.593178      4.388343      1.848032
  C      -5.199434      4.640693      1.910046
  C      -4.709568      5.731720      2.611579
  C      -5.609227      6.606343      3.288668
  C      -6.287049      3.392014      5.902230
  C      -7.205315      4.463759      6.531280
  C      -8.558526      3.949985      7.027551
  C      -9.530497      3.455979      5.986765
  N      -9.133078      3.370510      4.724620
  C     -10.023548      2.898775      3.810551
  N     -11.263684      2.505821      4.014793
  C     -11.705628      2.589671      5.307841
  C     -13.029311      2.185018      5.609049
  C     -13.492086      2.243178      6.906686
  C     -12.655418      2.708188      7.948411
  C     -11.364025      3.114889      7.680157
  C     -10.859657      3.066928      6.357252
  H      -3.635541      1.196574      2.540119
  H      -4.697329      2.468334      3.185244
  H      -5.877668      0.766376      4.617756
  H      -4.989214     -0.511484      3.770669
  H      -7.234053     -0.209366      2.774034
  H      -6.945043      1.527321      2.537466
  H      -5.022846      2.041474     -1.447968
  H      -4.026719     -2.405493     -2.028534
  H      -4.327663     -4.463807     -0.640868
  H      -5.386735     -4.312860      1.608044
  H      -6.138862     -2.134303      2.493450
  H      -4.546009      6.148070      6.044733
  H      -3.137915      6.305764      7.107347
  H      -2.255569      8.188709      5.744985
  H      -3.891534      8.503965      6.347895
  H      -3.695141      9.242261      4.010988
  H      -3.122972      7.637409      3.504200
  H      -8.134410      8.832871      5.013469
  H      -8.556958      5.064115      2.438363
  H      -6.937931      3.530543      1.268173
  H      -4.513634      4.009095      1.341911
  H      -3.646384      5.959471      2.583515
  H      -6.501945      2.419670      6.406537
  H      -6.577418      3.260405      4.850896
  H      -6.683433      4.893853      7.401721
  H      -7.354701      5.284160      5.815001
  H      -8.390679      3.120273      7.741024
  H      -9.059156      4.734648      7.619340
  H      -9.648569      2.835476      2.783412
  H     -13.655705      1.828220      4.789872
  H     -14.511397      1.928867      7.135543
  H     -13.036959      2.746078      8.969625
  H     -10.726132      3.470430      8.489978
  N      -2.283939      3.788473      3.056298
  N      -1.586476      4.046164      2.048718
  H      -1.298321      3.179678      1.548510
98
Coordinates from ORCA-job orca E -6258.452984107787
  N      -3.414292      1.667745      4.585164
  Mo     -3.503392      3.761460      4.451859
  N      -4.884685      3.685677      5.979872
  C      -4.277001      3.503956      7.292198
  C      -3.008700      2.653423      7.182350
  N      -2.113885      3.151279      6.077546
  C      -1.250918      2.055092      5.549384
  C      -2.051862      1.193084      4.547334
  C      -1.284164      4.312588      6.541408
  C      -1.380939      5.414850      5.491175
  N      -2.793440      5.542537      5.173551
  H      -1.596792      1.295510      3.540275
  H      -1.992993      0.123188      4.825039
  H      -0.403908      2.530350      5.039736
  H      -0.856885      1.468666      6.396390
  H      -0.946678      6.350751      5.887986
  H      -0.816931      5.138556      4.587794
  H      -1.715094      4.671356      7.486499
  H      -0.254204      3.978510      6.746262
  H      -4.959114      2.968716      7.981225
  H      -4.044902      4.467461      7.791427
  H      -3.292086      1.630805      6.913852
  H      -2.435502      2.641439      8.126103
  C      -4.221515      1.507543      3.422643
  C      -5.403649      0.553447      3.638334
  C      -6.470724      0.592855      2.526500
  C      -5.917977      0.313089      1.157788
  N      -5.736440      1.354174      0.352239
  C      -5.183553      1.117459     -0.867319
  N      -4.786085     -0.036415     -1.363362
  C      -4.977484     -1.127719     -0.561881
  C      -4.589040     -2.405003     -1.034520
  C      -4.782555     -3.520940     -0.247831
  C      -5.373033     -3.406697      1.033130
  C      -5.757107     -2.173745      1.518683
  C      -5.563793     -1.007091      0.737215
  C      -3.509366      6.421043      6.089934
  C      -3.346647      7.901722      5.711633
  C      -3.770709      8.214541      4.264176
  C      -5.188595      7.797213      3.996532
  N      -6.141918      8.560378      4.527016
  C      -7.428742      8.181094      4.327284
  N      -7.871568      7.135715      3.652419
  C      -6.912193      6.337374      3.100125
  C      -7.314209      5.199189      2.354608
  C      -6.372648      4.365641      1.797077
  C      -4.989998      4.640462      1.947806
  C      -4.564620      5.754421      2.654025
  C      -5.520817      6.623663      3.255104
  C      -6.293988      3.382980      5.921177
  C      -7.219632      4.443779      6.553953
  C      -8.567338      3.916118      7.050746
  C      -9.534839      3.405082      6.016452
  N      -9.136749      3.308899      4.755833
  C     -10.023970      2.824824      3.847417
  N     -11.260585      2.427025      4.055386
  C     -11.703248      2.521303      5.347002
  C     -13.023899      2.114065      5.650627
  C     -13.490735      2.188715      6.946653
  C     -12.660024      2.672448      7.983400
  C     -11.370390      3.079562      7.712577
  C     -10.862171      3.014850      6.391364
  H      -3.646171      1.256631      2.509178
  H      -4.704253      2.520174      3.171514
  H      -5.879533      0.812608      4.594652
  H      -4.994750     -0.463832      3.743597
  H      -7.258562     -0.135857      2.770390
  H      -6.935210      1.588913      2.507258
  H      -5.049223      2.000760     -1.500151
  H      -4.143870     -2.470380     -2.028752
  H      -4.484336     -4.504125     -0.615395
  H      -5.525773     -4.301377      1.637758
  H      -6.216015     -2.096733      2.505148
  H      -4.573339      6.151519      6.054668
  H      -3.190719      6.304536      7.147400
  H      -2.299301      8.217995      5.840207
  H      -3.953850      8.503601      6.406784
  H      -3.700874      9.299631      4.098200
  H      -3.080430      7.717720      3.573680
  H      -8.186072      8.828782      4.780947
  H      -8.382734      5.016221      2.246172
  H      -6.663021      3.485507      1.223150
  H      -4.258242      4.005610      1.446993
  H      -3.505309      6.000998      2.684973
  H      -6.497632      2.409767      6.429197
  H      -6.590763      3.245926      4.871494
  H      -6.702601      4.875594      7.425757
  H      -7.376419      5.266868      5.841748
  H      -8.390101      3.092238      7.768045
  H      -9.077761      4.699794      7.638163
  H      -9.651256      2.757402      2.819325
  H     -13.645115      1.744143      4.834635
  H     -14.508562      1.873196      7.177772
  H     -13.044341      2.723590      9.003630
  H     -10.738088      3.450298      8.519002
  N      -2.299243      3.847500      3.064378
  N      -1.599347      4.105874      2.057914
  H      -1.280266      3.237462      1.577613
98
Coordinates from ORCA-job orca E -6258.453930560811
  N      -3.403759      1.644519      4.612357
  Mo     -3.482042      3.739370      4.453344
  N      -4.872261      3.690879      5.975360
  C      -4.271775      3.516688      7.292668
  C      -3.007804      2.657431      7.197967
  N      -2.104164      3.140136      6.093510
  C      -1.243088      2.035111      5.581876
  C      -2.043031      1.164117      4.586433
  C      -1.271222      4.303119      6.547145
  C      -1.357459      5.393258      5.481569
  N      -2.768464      5.524785      5.157178
  H      -1.583329      1.252147      3.579768
  H      -1.989608      0.097271      4.877523
  H      -0.392357      2.501464      5.069891
  H      -0.853929      1.456988      6.436990
  H      -0.919280      6.331841      5.867521
  H      -0.791620      5.101132      4.584014
  H      -1.704175      4.675451      7.485933
  H      -0.243713      3.967508      6.761032
  H      -4.960950      2.993502      7.984210
  H      -4.034780      4.483449      7.783003
  H      -3.295246      1.633893      6.937519
  H      -2.440047      2.651101      8.145042
  C      -4.205414      1.475093      3.446975
  C      -5.392218      0.527398      3.664262
  C      -6.454402      0.570743      2.548814
  C      -5.893999      0.310999      1.179480
  N      -5.710985      1.365959      0.391129
  C      -5.150264      1.149901     -0.828287
  N      -4.748297      0.004325     -1.340199
  C      -4.941576     -1.100671     -0.557420
  C      -4.548657     -2.369738     -1.048446
  C      -4.743539     -3.498912     -0.280599
  C      -5.339779     -3.406447      0.999121
  C      -5.728639     -2.181835      1.502478
  C      -5.534203     -1.002150      0.740657
  C      -3.477935      6.420028      6.062129
  C      -3.321043      7.892264      5.650476
  C      -3.787688      8.181008      4.210934
  C      -5.219141      7.774848      4.001695
  N      -6.140017      8.550457      4.572457
  C      -7.439149      8.187648      4.432707
  N      -7.924103      7.147958      3.779408
  C      -7.000090      6.339869      3.180185
  C      -7.451798      5.213324      2.445592
  C      -6.548868      4.376818      1.831152
  C      -5.157081      4.634610      1.915258
  C      -4.682778      5.732010      2.617021
  C      -5.598364      6.607820      3.271073
  C      -6.283658      3.398037      5.913064
  C      -7.203276      4.466476      6.541503
  C      -8.553872      3.945108      7.034102
  C      -9.515338      3.431953      5.995201
  N      -9.109959      3.339935      4.736368
  C      -9.991348      2.853802      3.822636
  N     -11.228300      2.450944      4.024289
  C     -11.678478      2.540637      5.314219
  C     -13.001187      2.130678      5.609820
  C     -13.477272      2.206513      6.902570
  C     -12.653669      2.692612      7.944079
  C     -11.361275      3.100691      7.681372
  C     -10.844121      3.036115      6.363340
  H      -3.625983      1.211645      2.539140
  H      -4.681444      2.485905      3.180545
  H      -5.871042      0.791206      4.617570
  H      -4.987778     -0.491157      3.773979
  H      -7.240848     -0.163031      2.781759
  H      -6.922640      1.564538      2.536768
  H      -5.016407      2.043295     -1.446924
  H      -4.099106     -2.418482     -2.041160
  H      -4.442119     -4.475742     -0.662553
  H      -5.494065     -4.311471      1.588395
  H      -6.192607     -2.121635      2.487390
  H      -4.542273      6.148552      6.047070
  H      -3.144812      6.327742      7.117374
  H      -2.269980      8.207989      5.745910
  H      -3.908983      8.508757      6.349375
  H      -3.715763      9.262766      4.024186
  H      -3.125591      7.667076      3.505072
  H      -8.167577      8.845231      4.919812
  H      -8.527049      5.043841      2.387724
  H      -6.880540      3.510789      1.256824
  H      -4.458819      4.001287      1.368020
  H      -3.620290      5.963438      2.598767
  H      -6.495480      2.426502      6.421296
  H      -6.578849      3.262963      4.861959
  H      -6.687039      4.898462      7.413934
  H      -7.353747      5.287998      5.825845
  H      -8.382538      3.123651      7.755586
  H      -9.064932      4.731987      7.614240
  H      -9.614696      2.794208      2.795517
  H     -13.617370      1.760035      4.789845
  H     -14.497481      1.890587      7.127135
  H     -13.045402      2.745784      8.961174
  H     -10.735156      3.474731      8.491467
  N      -2.271249      3.803309      3.072152
  N      -1.567247      4.044746      2.065421
  H      -1.231215      3.169126      1.610344
98
Coordinates from ORCA-job orca E -6258.453930394068
  N      -3.451386      1.641852      4.623306
  Mo     -3.504902      3.735802      4.445788
  N      -4.891746      3.725740      5.966734
  C      -4.290640      3.564494      7.285159
  C      -3.041531      2.682181      7.201122
  N      -2.130359      3.133990      6.090309
  C      -1.286620      2.008903      5.594884
  C      -2.098441      1.140473      4.606350
  C      -1.277977      4.288379      6.527767
  C      -1.352400      5.365993      5.448084
  N      -2.763486      5.513722      5.133902
  H      -1.633881      1.209620      3.600061
  H      -2.062855      0.075707      4.908288
  H      -0.425692      2.453958      5.080863
  H      -0.910938      1.434619      6.458660
  H      -0.899211      6.302923      5.821057
  H      -0.796285      5.055368      4.550429
  H      -1.700658      4.677397      7.464400
  H      -0.254196      3.940817      6.739913
  H      -4.987403      3.067092      7.988133
  H      -4.033510      4.536363      7.755913
  H      -3.346601      1.660562      6.955085
  H      -2.473418      2.679227      8.148158
  C      -4.251310      1.467126      3.457832
  C      -5.441466      0.522285      3.673518
  C      -6.497621      0.559916      2.551154
  C      -5.923220      0.308825      1.184732
  N      -5.749876      1.364241      0.393351
  C      -5.171305      1.151838     -0.820684
  N      -4.745808      0.010107     -1.323395
  C      -4.928749     -1.094357     -0.536934
  C      -4.507861     -2.359590     -1.015942
  C      -4.688377     -3.487499     -0.242446
  C      -5.297509     -3.398406      1.031746
  C      -5.714632     -2.178044      1.523327
  C      -5.535904     -0.999135      0.754959
  C      -3.446907      6.425838      6.043837
  C      -3.254097      7.891826      5.629862
  C      -3.712526      8.172988      4.188557
  C      -5.155530      7.800720      4.001332
  N      -6.049377      8.602133      4.579228
  C      -7.357883      8.270942      4.458391
  N      -7.875961      7.239751      3.817113
  C      -6.979946      6.404902      3.212357
  C      -7.469280      5.283104      2.492661
  C      -6.595057      4.416100      1.877893
  C      -5.196221      4.637293      1.948380
  C      -4.686108      5.728000      2.636282
  C      -5.572043      6.637031      3.286482
  C      -6.302925      3.435603      5.900977
  C      -7.224196      4.508895      6.522242
  C      -8.573448      3.985130      7.015820
  C      -9.527083      3.464113      5.971685
  N      -9.134886      3.427068      4.705686
  C     -10.007838      2.931719      3.787314
  N     -11.225258      2.472512      3.990943
  C     -11.662285      2.506597      5.288268
  C     -12.963551      2.033109      5.588550
  C     -13.422445      2.048200      6.889363
  C     -12.604054      2.536066      7.935233
  C     -11.333546      3.006678      7.668379
  C     -10.833909      3.003690      6.342236
  H      -3.669551      1.195217      2.553559
  H      -4.722971      2.478220      3.185521
  H      -5.923983      0.791374      4.623826
  H      -5.039498     -0.496485      3.788941
  H      -7.277804     -0.183046      2.776348
  H      -6.975093      1.549466      2.537097
  H      -5.043817      2.044236     -1.441981
  H      -4.047986     -2.405746     -2.003998
  H      -4.364204     -4.460925     -0.615089
  H      -5.438828     -4.302623      1.626160
  H      -6.187982     -2.119447      2.503829
  H      -4.519012      6.181334      6.036492
  H      -3.107404      6.323781      7.095961
  H      -2.194756      8.181352      5.722201
  H      -3.825415      8.529183      6.323309
  H      -3.612489      9.249101      3.981922
  H      -3.068035      7.629615      3.487729
  H      -8.061212      8.947395      4.954156
  H      -8.548111      5.143378      2.446404
  H      -6.954268      3.555850      1.310422
  H      -4.520208      3.979397      1.398985
  H      -3.616242      5.927683      2.611322
  H      -6.519649      2.464418      6.407402
  H      -6.590794      3.300413      4.848529
  H      -6.706844      4.948774      7.390329
  H      -7.376794      5.322731      5.798575
  H      -8.400246      3.168074      7.741877
  H      -9.092088      4.770350      7.591319
  H      -9.639717      2.912821      2.755628
  H     -13.577086      1.661858      4.765824
  H     -14.425501      1.682729      7.117222
  H     -12.983011      2.540997      8.958473
  H     -10.709815      3.382007      8.480619
  N      -2.294987      3.776313      3.058800
  N      -1.590208      4.019608      2.052737
  H      -1.294261      3.146716      1.568314
98
Coordinates from ORCA-job orca E -6258.454079886747
  N      -3.430175      1.653282      4.614349
  Mo     -3.493265      3.749892      4.446132
  N      -4.875354      3.722918      5.974276
  C      -4.268932      3.555808      7.290155
  C      -3.015374      2.680645      7.195537
  N      -2.112173      3.146308      6.083607
  C      -1.262744      2.031070      5.575236
  C      -2.073250      1.162460      4.586439
  C      -1.265949      4.303668      6.525521
  C      -1.346746      5.386055      5.451227
  N      -2.759199      5.529299      5.138936
  H      -1.616363      1.241674      3.577614
  H      -2.027118      0.096398      4.881876
  H      -0.409009      2.487341      5.059133
  H      -0.876401      1.453851      6.432315
  H      -0.896770      6.323213      5.826978
  H      -0.791071      5.081512      4.551402
  H      -1.692180      4.687807      7.462584
  H      -0.241144      3.959402      6.738255
  H      -4.960002      3.049879      7.992342
  H      -4.015553      4.525654      7.766487
  H      -3.315963      1.659171      6.942662
  H      -2.442674      2.673416      8.139744
  C      -4.235982      1.480803      3.452299
  C      -5.426352      0.539022      3.678224
  C      -6.492732      0.579472      2.566521
  C      -5.938226      0.309666      1.196268
  N      -5.763533      1.356653      0.395008
  C      -5.206724      1.128794     -0.825073
  N      -4.801248     -0.020953     -1.325157
  C      -4.986466     -1.117809     -0.528827
  C      -4.588830     -2.390897     -1.006058
  C      -4.775422     -3.511819     -0.224004
  C      -5.367435     -3.407067      1.056855
  C      -5.760603     -2.178299      1.547033
  C      -5.574817     -1.006677      0.770277
  C      -3.449094      6.428999      6.055921
  C      -3.275293      7.901927      5.654737
  C      -3.747200      8.202556      4.220834
  C      -5.182704      7.807158      4.024804
  N      -6.094141      8.586259      4.606018
  C      -7.395713      8.228792      4.479025
  N      -7.891036      7.191265      3.829678
  C      -6.976408      6.379736      3.220959
  C      -7.439143      5.254137      2.490926
  C      -6.544568      4.412394      1.870726
  C      -5.150888      4.662937      1.946238
  C      -4.666345      5.759510      2.642732
  C      -5.573487      6.641890      3.299356
  C      -6.285673      3.424656      5.913890
  C      -7.211503      4.494121      6.532212
  C      -8.565237      3.967845      7.010634
  C      -9.507208      3.442054      5.959049
  N      -9.098700      3.392621      4.698788
  C      -9.961641      2.894571      3.773339
  N     -11.182837      2.441343      3.965022
  C     -11.637337      2.489312      5.255846
  C     -12.945236      2.026817      5.541282
  C     -13.425046      2.061599      6.834362
  C     -12.620529      2.557473      7.886534
  C     -11.342607      3.015426      7.634181
  C     -10.821928      2.992906      6.316269
  H      -3.660210      1.207917      2.544660
  H      -4.705642      2.492673      3.179724
  H      -5.900336      0.809733      4.632117
  H      -5.026265     -0.480782      3.791894
  H      -7.280781     -0.150662      2.805855
  H      -6.958625      1.574259      2.550411
  H      -5.079714      2.015021     -1.455315
  H      -4.142435     -2.449097     -1.999669
  H      -4.470050     -4.491651     -0.595305
  H      -5.515063     -4.305883      1.657520
  H      -6.220984     -2.108157      2.533011
  H      -4.517601      6.171635      6.050113
  H      -3.106628      6.324582      7.106991
  H      -2.219144      8.203035      5.743858
  H      -3.849730      8.522240      6.361291
  H      -3.667517      9.284275      4.036666
  H      -3.094676      7.684468      3.508749
  H      -8.115680      8.888375      4.974877
  H      -8.515172      5.090438      2.442167
  H      -6.883659      3.548345      1.297399
  H      -4.458955      4.023770      1.395946
  H      -3.602027      5.983390      2.617917
  H      -6.495505      2.454620      6.425594
  H      -6.577282      3.283275      4.862960
  H      -6.703681      4.930466      7.407495
  H      -7.357222      5.312184      5.811704
  H      -8.398649      3.152884      7.740286
  H      -9.091437      4.754481      7.577640
  H      -9.581341      2.867593      2.746061
  H     -13.547439      1.650092      4.713294
  H     -14.433797      1.705665      7.050946
  H     -13.015629      2.578457      8.903416
  H     -10.730539      3.397083      8.451818
  N      -2.286877      3.795330      3.059326
  N      -1.577861      4.024654      2.053162
  H      -1.268570      3.143990      1.589308
98
Coordinates from ORCA-job orca E -6258.454078426418
  N      -3.465570      1.662272      4.637516
  Mo     -3.494725      3.757769      4.457679
  N      -4.891619      3.759378      5.974763
  C      -4.299696      3.587824      7.297041
  C      -3.060882      2.691010      7.217766
  N      -2.139672      3.139410      6.114200
  C      -1.302217      2.009721      5.618279
  C      -2.116933      1.148401      4.627555
  C      -1.280799      4.284728      6.562538
  C      -1.328078      5.361905      5.482083
  N      -2.733164      5.527988      5.148409
  H      -1.649077      1.213203      3.622780
  H      -2.091716      0.083763      4.930328
  H      -0.437896      2.451536      5.107324
  H      -0.931146      1.431213      6.481177
  H      -0.866047      6.293366      5.857337
  H      -0.765944      5.041434      4.592110
  H      -1.714726      4.681629      7.490679
  H      -0.265432      3.924033      6.792808
  H      -5.005002      3.097008      7.995340
  H      -4.034109      4.555065      7.770537
  H      -3.376383      1.674232      6.963434
  H      -2.497723      2.675968      8.167613
  C      -4.261401      1.490789      3.468400
  C      -5.463908      0.563505      3.688235
  C      -6.521498      0.617127      2.568800
  C      -5.959532      0.353149      1.200851
  N      -5.772941      1.405416      0.409936
  C      -5.209820      1.184886     -0.807844
  N      -4.806415      0.037557     -1.314729
  C      -5.003297     -1.064792     -0.529096
  C      -4.609026     -2.335660     -1.014585
  C      -4.808648     -3.462230     -0.244213
  C      -5.410827     -3.365327      1.032496
  C      -5.800448     -2.138805      1.530722
  C      -5.601052     -0.961734      0.766413
  C      -3.423378      6.452760      6.039256
  C      -3.228250      7.915907      5.611971
  C      -3.687161      8.203042      4.169543
  C      -5.126854      7.826862      3.963378
  N      -6.032405      8.631484      4.518192
  C      -7.337995      8.290645      4.383678
  N      -7.842437      7.247164      3.750866
  C      -6.934217      6.410356      3.168084
  C      -7.406391      5.276607      2.457109
  C      -6.518710      4.411166      1.860716
  C      -5.122637      4.647202      1.938205
  C      -4.628779      5.752090      2.615395
  C      -5.528403      6.655172      3.253585
  C      -6.300388      3.454812      5.904314
  C      -7.236728      4.521298      6.511082
  C      -8.584260      3.985133      6.996894
  C      -9.517323      3.420727      5.957771
  N      -9.120360      3.374887      4.693863
  C      -9.974237      2.837357      3.782607
  N     -11.175368      2.341102      3.991347
  C     -11.618442      2.386015      5.285917
  C     -12.905566      1.880108      5.589280
  C     -13.374254      1.913176      6.886537
  C     -12.578462      2.449650      7.925008
  C     -11.320068      2.948792      7.655147
  C     -10.811571      2.929338      6.332572
  H      -3.679548      1.205908      2.568418
  H      -4.716353      2.505234      3.184866
  H      -5.942257      0.841133      4.637951
  H      -5.076475     -0.460693      3.806653
  H      -7.317137     -0.108130      2.797754
  H      -6.980263      1.615500      2.555266
  H      -5.074050      2.075977     -1.429378
  H      -4.154829     -2.387783     -2.005118
  H      -4.506216     -4.440389     -0.621868
  H      -5.569142     -4.268438      1.623582
  H      -6.268592     -2.074974      2.513542
  H      -4.494044      6.207613      6.024232
  H      -3.096158      6.365326      7.096694
  H      -2.169035      8.205032      5.702820
  H      -3.798648      8.554654      6.305431
  H      -3.590164      9.281131      3.973615
  H      -3.036156      7.667026      3.469801
  H      -8.053932      8.971304      4.856897
  H      -8.484125      5.125365      2.405060
  H      -6.864582      3.538627      1.304720
  H      -4.435648      3.991605      1.402387
  H      -3.562880      5.964873      2.588302
  H      -6.509439      2.486092      6.418915
  H      -6.583963      3.306757      4.852003
  H      -6.733959      4.972410      7.381577
  H      -7.391707      5.330383      5.782463
  H      -8.407460      3.190992      7.746374
  H      -9.125367      4.777016      7.543766
  H      -9.604410      2.813673      2.751605
  H     -13.501215      1.472614      4.771624
  H     -14.367196      1.524031      7.117155
  H     -12.964576      2.468564      8.945399
  H     -10.714412      3.361272      8.462220
  N      -2.274684      3.773481      3.082995
  N      -1.552622      3.982888      2.081557
  H      -1.240750      3.092948      1.637136
98
Coordinates from ORCA-job orca E -6258.454193334538
  N      -3.462919      1.664359      4.634225
  Mo     -3.500485      3.762130      4.456361
  N      -4.883101      3.759257      5.985887
  C      -4.279240      3.587505      7.302862
  C      -3.039967      2.692207      7.211258
  N      -2.129443      3.145314      6.100622
  C      -1.291870      2.019809      5.595687
  C      -2.111894      1.157026      4.610507
  C      -1.270912      4.293081      6.542914
  C      -1.328803      5.369180      5.461320
  N      -2.737492      5.532567      5.140934
  H      -1.653883      1.225632      3.601433
  H      -2.078921      0.091824      4.910770
  H      -0.433408      2.465925      5.078603
  H      -0.911406      1.441148      6.454455
  H      -0.865431      6.302001      5.831498
  H      -0.774473      5.048632      4.566480
  H      -1.700266      4.689788      7.473240
  H      -0.253213      3.935259      6.767093
  H      -4.978061      3.097401      8.008051
  H      -4.008819      4.555214      7.772830
  H      -3.356112      1.675650      6.956984
  H      -2.468329      2.675561      8.156049
  C      -4.268436      1.490190      3.472088
  C      -5.466921      0.560123      3.703299
  C      -6.535089      0.608807      2.593732
  C      -5.985607      0.339473      1.221477
  N      -5.811189      1.387069      0.421180
  C      -5.257345      1.159998     -0.800246
  N      -4.852630      0.010741     -1.301852
  C      -5.037408     -1.086806     -0.506435
  C      -4.640611     -2.359425     -0.985421
  C      -4.828100     -3.481170     -0.204821
  C      -5.420265     -3.377645      1.076004
  C      -5.811979     -2.149210      1.568077
  C      -5.624754     -0.976823      0.793172
  C      -3.419424      6.454376      6.041796
  C      -3.221928      7.919286      5.623065
  C      -3.684789      8.213874      4.184202
  C      -5.125588      7.839581      3.984740
  N      -6.027626      8.643122      4.547088
  C      -7.334051      8.304641      4.417012
  N      -7.842410      7.264689      3.781726
  C      -6.937961      6.429151      3.191176
  C      -7.414903      5.299805      2.476314
  C      -6.530857      4.435537      1.872696
  C      -5.133895      4.667050      1.948844
  C      -4.635290      5.766480      2.631459
  C      -5.531467      6.670686      3.273201
  C      -6.291343      3.450774      5.922581
  C      -7.227758      4.515709      6.531632
  C      -8.582085      3.979768      6.997838
  C      -9.503759      3.428395      5.941076
  N      -9.098510      3.413300      4.679018
  C      -9.941930      2.888961      3.750207
  N     -11.140723      2.379043      3.940128
  C     -11.593268      2.393814      5.232416
  C     -12.879554      1.873582      5.515835
  C     -13.358401      1.878326      6.809817
  C     -12.574095      2.399633      7.864842
  C     -11.316490      2.911677      7.614748
  C     -10.797596      2.920929      6.296088
  H      -3.693674      1.204519      2.567597
  H      -4.726273      2.503843      3.189729
  H      -5.936677      0.837302      4.657343
  H      -5.076104     -0.463049      3.819005
  H      -7.328145     -0.116268      2.832418
  H      -6.995120      1.606469      2.580811
  H      -5.131358      2.046636     -1.430136
  H      -4.194366     -2.416722     -1.979177
  H      -4.523571     -4.460683     -0.577477
  H      -5.569158     -4.277140      1.675215
  H      -6.272406     -2.080018      2.554098
  H      -4.491195      6.212356      6.033198
  H      -3.084733      6.359540      7.096225
  H      -2.161434      8.204985      5.711320
  H      -3.787822      8.555964      6.321992
  H      -3.587262      9.292548      3.991717
  H      -3.037371      7.679491      3.479695
  H      -8.046624      8.984088      4.896621
  H      -8.493055      5.151547      2.427051
  H      -6.879932      3.567157      1.311963
  H      -4.449686      4.012262      1.407931
  H      -3.568086      5.974036      2.604884
  H      -6.496295      2.481375      6.437319
  H      -6.578382      3.302772      4.871324
  H      -6.731010      4.956867      7.410849
  H      -7.372143      5.331924      5.808765
  H      -8.417149      3.179042      7.742853
  H      -9.127428      4.768792      7.544361
  H      -9.565344      2.891980      2.721256
  H     -13.466652      1.478728      4.685591
  H     -14.350853      1.478636      7.024961
  H     -12.968592      2.396801      8.882216
  H     -10.719693      3.312834      8.434247
  N      -2.291284      3.779328      3.071912
  N      -1.570792      3.984133      2.068616
  H      -1.259854      3.092555      1.627275
98
Coordinates from ORCA-job orca E -6258.454198783439
  N      -3.493908      1.668901      4.641525
  Mo     -3.510544      3.765439      4.449064
  N      -4.895221      3.790281      5.977850
  C      -4.293078      3.626913      7.297101
  C      -3.066074      2.713303      7.215816
  N      -2.148192      3.144876      6.102548
  C      -1.322408      2.006366      5.608686
  C      -2.149353      1.144760      4.628978
  C      -1.276178      4.285012      6.535668
  C      -1.319660      5.352115      5.444444
  N      -2.726167      5.531109      5.125546
  H      -1.686406      1.197132      3.621056
  H      -2.131281      0.082199      4.939714
  H      -0.458386      2.438927      5.089300
  H      -0.949223      1.431089      6.472882
  H      -0.843414      6.281567      5.806288
  H      -0.770798      5.016201      4.551666
  H      -1.701749      4.695296      7.461851
  H      -0.263353      3.916751      6.764768
  H      -4.997836      3.157293      8.010131
  H      -4.007492      4.597480      7.752214
  H      -3.395645      1.699057      6.969759
  H      -2.495946      2.697378      8.161582
  C      -4.295533      1.488078      3.477244
  C      -5.494567      0.558618      3.710507
  C      -6.559855      0.599133      2.598320
  C      -6.006055      0.334823      1.227128
  N      -5.840221      1.385234      0.428508
  C      -5.281726      1.165574     -0.791714
  N      -4.865789      0.020739     -1.294646
  C      -5.042508     -1.079856     -0.501469
  C      -4.633810     -2.348214     -0.981934
  C      -4.812631     -3.473088     -0.203579
  C      -5.407684     -3.377092      1.076434
  C      -5.811138     -2.152971      1.569998
  C      -5.633057     -0.977685      0.797442
  C      -3.394748      6.456229      6.032885
  C      -3.189341      7.920963      5.617754
  C      -3.664157      8.225797      4.185163
  C      -5.104858      7.847440      3.995362
  N      -6.005671      8.645008      4.568281
  C      -7.311312      8.298078      4.452429
  N      -7.820023      7.255381      3.821885
  C      -6.916461      6.426225      3.219868
  C      -7.393494      5.295385      2.507435
  C      -6.509889      4.438704      1.891987
  C      -5.113573      4.678535      1.954344
  C      -4.614899      5.779059      2.635468
  C      -5.510725      6.676632      3.287006
  C      -6.303776      3.482650      5.912226
  C      -7.240074      4.556216      6.505486
  C      -8.595939      4.026431      6.972599
  C      -9.507921      3.451470      5.920138
  N      -9.113109      3.457070      4.654636
  C      -9.949168      2.914619      3.729358
  N     -11.131185      2.368726      3.926080
  C     -11.573987      2.363880      5.221899
  C     -12.844165      1.808823      5.512273
  C     -13.314126      1.797221      6.809421
  C     -12.536459      2.335396      7.860853
  C     -11.293736      2.879972      7.604156
  C     -10.784651      2.906848      6.282151
  H      -3.717425      1.194301      2.577354
  H      -4.750120      2.499650      3.186829
  H      -5.967684      0.840564      4.661413
  H      -5.102410     -0.463214      3.833346
  H      -7.348314     -0.131636      2.834970
  H      -7.026688      1.593261      2.583884
  H      -5.162576      2.054992     -1.418931
  H      -4.185471     -2.400014     -1.974992
  H      -4.499056     -4.449251     -0.577440
  H      -5.549567     -4.278987      1.673830
  H      -6.273910     -2.089599      2.555299
  H      -4.468572      6.221878      6.032079
  H      -3.053297      6.357270      7.084903
  H      -2.126461      8.199881      5.698391
  H      -3.745358      8.558039      6.324412
  H      -3.571587      9.306405      4.001191
  H      -3.021080      7.699173      3.470869
  H      -8.023235      8.972765      4.939940
  H      -8.471136      5.139501      2.469933
  H      -6.858975      3.569683      1.332122
  H      -4.430340      4.030672      1.403783
  H      -3.549536      5.993650      2.599437
  H      -6.512697      2.518652      6.435235
  H      -6.587739      3.326234      4.860940
  H      -6.746811      5.007634      7.381442
  H      -7.380154      5.363603      5.771808
  H      -8.436182      3.243788      7.737180
  H      -9.148621      4.826106      7.496265
  H      -9.581996      2.935565      2.697145
  H     -13.426926      1.401934      4.684803
  H     -14.294543      1.371515      7.029901
  H     -12.924216      2.319572      8.880545
  H     -10.701669      3.294171      8.420550
  N      -2.301311      3.760865      3.065492
  N      -1.580155      3.950926      2.060199
  H      -1.303853      3.053571      1.607474
98
Coordinates from ORCA-job orca E -6258.454274467059
  N      -3.494626      1.674202      4.634992
  Mo     -3.509935      3.773867      4.447647
  N      -4.893054      3.792930      5.978714
  C      -4.290403      3.620520      7.296752
  C      -3.063838      2.707337      7.210167
  N      -2.147681      3.146434      6.098838
  C      -1.320629      2.011830      5.597998
  C      -2.148775      1.152443      4.617149
  C      -1.277241      4.286057      6.537509
  C      -1.318618      5.355735      5.448199
  N      -2.725128      5.536512      5.127772
  H      -1.688874      1.209158      3.608123
  H      -2.128239      0.088702      4.923929
  H      -0.459014      2.449005      5.078400
  H      -0.943851      1.433661      6.458832
  H      -0.842328      6.284678      5.811512
  H      -0.769843      5.020377      4.555245
  H      -1.706291      4.694723      7.462742
  H      -0.265185      3.917240      6.769389
  H      -4.996018      3.148320      8.007059
  H      -4.004222      4.588250      7.757035
  H      -3.393398      1.694548      6.958027
  H      -2.492771      2.685598      8.155302
  C      -4.297916      1.495708      3.471001
  C      -5.500738      0.571980      3.705680
  C      -6.566014      0.616300      2.593361
  C      -6.011630      0.343305      1.223603
  N      -5.838653      1.387750      0.418427
  C      -5.278634      1.156719     -0.799539
  N      -4.867144      0.006453     -1.293687
  C      -5.051012     -1.087973     -0.493648
  C      -4.646781     -2.361507     -0.964336
  C      -4.832715     -3.480200     -0.178768
  C      -5.430737     -3.372603      1.098911
  C      -5.829922     -2.143194      1.583009
  C      -5.644370     -0.973907      0.802942
  C      -3.394905      6.463745      6.032274
  C      -3.184084      7.927452      5.617283
  C      -3.652962      8.232220      4.182855
  C      -5.095702      7.862361      3.991826
  N      -5.992797      8.668078      4.559394
  C      -7.300330      8.329924      4.440482
  N      -7.814237      7.288808      3.811670
  C      -6.914922      6.452000      3.214415
  C      -7.398030      5.321907      2.504760
  C      -6.518729      4.456367      1.895683
  C      -5.120875      4.685895      1.962294
  C      -4.616191      5.784912      2.641952
  C      -5.507643      6.692099      3.286238
  C      -6.300234      3.477913      5.913052
  C      -7.237356      4.541037      6.523055
  C      -8.595058      4.005739      6.980309
  C      -9.503150      3.433568      5.922742
  N      -9.102785      3.438889      4.659090
  C      -9.932964      2.892845      3.730501
  N     -11.114321      2.343542      3.922246
  C     -11.563944      2.340621      5.215775
  C     -12.834996      1.783739      5.500286
  C     -13.313216      1.775763      6.794587
  C     -12.542807      2.318862      7.848989
  C     -11.298793      2.863974      7.598229
  C     -10.781239      2.887391      6.279175
  H      -3.721729      1.197528      2.571219
  H      -4.746071      2.509360      3.178534
  H      -5.971315      0.856461      4.656895
  H      -5.113881     -0.451874      3.828534
  H      -7.359331     -0.108667      2.831402
  H      -7.027213      1.613089      2.576257
  H      -5.154066      2.040448     -1.433799
  H      -4.195991     -2.422190     -1.955721
  H      -4.522352     -4.460431     -0.545024
  H      -5.578398     -4.269786      1.702105
  H      -6.294880     -2.070979      2.566599
  H      -4.469148      6.231945      6.027964
  H      -3.056743      6.363949      7.085146
  H      -2.120354      8.202671      5.700651
  H      -3.739664      8.566821      6.322078
  H      -3.553122      9.311621      3.996006
  H      -3.011524      7.699522      3.471380
  H      -8.008944      9.009986      4.924944
  H      -8.476559      5.173998      2.464801
  H      -6.872012      3.587674      1.337484
  H      -4.440437      4.031626      1.415537
  H      -3.548320      5.989433      2.610077
  H      -6.503707      2.506948      6.425320
  H      -6.586937      3.332617      4.860945
  H      -6.745364      4.976938      7.407696
  H      -7.375596      5.361704      5.803851
  H      -8.437410      3.220608      7.742585
  H      -9.151182      4.802693      7.504160
  H      -9.560879      2.913205      2.700098
  H     -13.411935      1.373394      4.670181
  H     -14.294574      1.349274      7.010528
  H     -12.937169      2.306481      8.866398
  H     -10.712832      3.281982      8.417267
  N      -2.297852      3.764733      3.066326
  N      -1.565827      3.939599      2.065950
  H      -1.282184      3.035627      1.631602
98
Coordinates from ORCA-job orca E -6258.454294075269
  N      -3.507665      1.676514      4.645285
  Mo     -3.515843      3.775767      4.455231
  N      -4.896640      3.801540      5.989070
  C      -4.293638      3.626296      7.306389
  C      -3.071634      2.707604      7.218860
  N      -2.154340      3.143611      6.107446
  C      -1.331706      2.005964      5.606637
  C      -2.164382      1.148371      4.628401
  C      -1.279683      4.279661      6.546002
  C      -1.314427      5.347384      5.454815
  N      -2.719406      5.535010      5.132129
  H      -1.704585      1.200058      3.619113
  H      -2.149042      0.085309      4.937702
  H      -0.469431      2.439567      5.085270
  H      -0.955573      1.427541      6.467521
  H      -0.833246      6.274461      5.816324
  H      -0.766915      5.006577      4.563287
  H      -1.708116      4.691588      7.470050
  H      -0.269690      3.906671      6.779899
  H      -5.000844      3.158433      8.017859
  H      -4.002193      4.592843      7.765626
  H      -3.405776      1.696500      6.965998
  H      -2.500304      2.682645      8.163726
  C      -4.311696      1.495424      3.482188
  C      -5.513831      0.571267      3.719125
  C      -6.581080      0.615029      2.608473
  C      -6.028471      0.349127      1.236803
  N      -5.864095      1.397333      0.434903
  C      -5.305571      1.174266     -0.785136
  N      -4.887309      0.028542     -1.284004
  C      -5.062387     -1.069706     -0.487273
  C      -4.650939     -2.338883     -0.963086
  C      -4.828408     -3.461455     -0.181141
  C      -5.425108     -3.362298      1.097856
  C      -5.831110     -2.137268      1.586961
  C      -5.653995     -0.964115      0.810789
  C      -3.386820      6.472419      6.027891
  C      -3.168485      7.931497      5.600840
  C      -3.632671      8.227934      4.162496
  C      -5.077191      7.864974      3.969307
  N      -5.970652      8.680567      4.528010
  C      -7.280073      8.350724      4.406409
  N      -7.799105      7.309449      3.782105
  C      -6.903681      6.462585      3.193425
  C      -7.392631      5.331993      2.488475
  C      -6.517813      4.457764      1.885647
  C      -5.118815      4.680038      1.952209
  C      -4.608551      5.779784      2.626591
  C      -5.495116      6.694055      3.267658
  C      -6.303439      3.484800      5.923151
  C      -7.242216      4.547491      6.531175
  C      -8.601442      4.012556      6.983633
  C      -9.505190      3.440401      5.922481
  N      -9.111861      3.471126      4.656953
  C      -9.940221      2.929984      3.723936
  N     -11.112948      2.361869      3.913192
  C     -11.555208      2.332436      5.208872
  C     -12.816910      1.754292      5.491382
  C     -13.287374      1.719304      6.787935
  C     -12.518506      2.256028      7.846637
  C     -11.283698      2.821792      7.597824
  C     -10.774137      2.872655      6.276655
  H      -3.735609      1.194965      2.583124
  H      -4.759916      2.507969      3.188053
  H      -5.983094      0.855907      4.671123
  H      -5.125880     -0.452199      3.841741
  H      -7.371238     -0.113825      2.845627
  H      -7.045906      1.610328      2.594914
  H      -5.187875      2.061281     -1.416035
  H      -4.201599     -2.393232     -1.955588
  H      -4.512437     -4.438249     -0.551339
  H      -5.565981     -4.262441      1.698120
  H      -6.295051     -2.071421      2.571534
  H      -4.462151      6.245692      6.022530
  H      -3.052194      6.379847      7.082514
  H      -2.103697      8.202568      5.684449
  H      -3.722326      8.579350      6.299279
  H      -3.526717      9.305600      3.969182
  H      -2.991987      7.687988      3.455962
  H      -7.985599      9.039527      4.883033
  H      -8.471827      5.190205      2.447701
  H      -6.874988      3.587653      1.332280
  H      -4.441616      4.020537      1.408075
  H      -3.540085      5.979112      2.593571
  H      -6.505501      2.514420      6.436778
  H      -6.589445      3.337446      4.871425
  H      -6.752904      4.981637      7.418136
  H      -7.377051      5.369220      5.812750
  H      -8.448146      3.229513      7.748746
  H      -9.160102      4.811273      7.503131
  H      -9.573987      2.971461      2.692106
  H     -13.392921      1.349171      4.658252
  H     -14.261282      1.276015      7.002416
  H     -12.906811      2.221985      8.865769
  H     -10.698483      3.234400      8.419971
  N      -2.305265      3.757960      3.072703
  N      -1.571659      3.924389      2.072268
  H      -1.288844      3.016862      1.645137
98
Coordinates from ORCA-job orca E -6258.454318938969
  N      -3.520414      1.679213      4.645126
  Mo     -3.519157      3.778326      4.451053
  N      -4.902610      3.811903      5.983163
  C      -4.302048      3.637508      7.301733
  C      -3.083888      2.713411      7.218716
  N      -2.163103      3.142754      6.107771
  C      -1.344693      2.000676      5.610415
  C      -2.179803      1.144060      4.633509
  C      -1.283676      4.275476      6.545018
  C      -1.311841      5.340893      5.451297
  N      -2.715497      5.534828      5.127501
  H      -1.717268      1.189467      3.625146
  H      -2.171049      0.082004      4.946583
  H      -0.480450      2.429718      5.088490
  H      -0.971270      1.423031      6.473028
  H      -0.826309      6.266344      5.811142
  H      -0.765716      4.994928      4.560858
  H      -1.711331      4.691618      7.467547
  H      -0.275738      3.898310      6.781226
  H      -5.012398      3.175242      8.013713
  H      -4.007298      4.604313      7.758445
  H      -3.421807      1.703056      6.967914
  H      -2.514190      2.688539      8.164582
  C      -4.321756      1.496308      3.479995
  C      -5.525477      0.573969      3.715810
  C      -6.589103      0.615877      2.601555
  C      -6.030786      0.350960      1.231943
  N      -5.865130      1.399503      0.430673
  C      -5.301072      1.177538     -0.787034
  N      -4.878954      0.032520     -1.284443
  C      -5.055381     -1.066066     -0.488494
  C      -4.639921     -2.334585     -0.962763
  C      -4.818208     -3.457510     -0.181513
  C      -5.419757     -3.359413      1.095320
  C      -5.829885     -2.135094      1.582907
  C      -5.652155     -0.961595      0.807362
  C      -3.379362      6.473624      6.024401
  C      -3.156528      7.932290      5.598431
  C      -3.621940      8.231536      4.161224
  C      -5.067300      7.871100      3.970334
  N      -5.958624      8.687272      4.531504
  C      -7.268597      8.358232      4.413615
  N      -7.790020      7.317068      3.791039
  C      -6.896624      6.469612      3.199887
  C      -7.388054      5.338829      2.496811
  C      -6.515202      4.463631      1.892327
  C      -5.115845      4.684982      1.955393
  C      -4.603257      5.784611      2.628456
  C      -5.487812      6.700104      3.270522
  C      -6.309166      3.493338      5.915638
  C      -7.247905      4.557503      6.520920
  C      -8.607340      4.025000      6.975794
  C      -9.508431      3.439864      5.919653
  N      -9.117311      3.465910      4.653314
  C      -9.943341      2.913137      3.725002
  N     -11.111917      2.338176      3.919514
  C     -11.551829      2.313166      5.216047
  C     -12.809166      1.728002      5.504010
  C     -13.277539      1.697702      6.801439
  C     -12.510759      2.246121      7.855700
  C     -11.280060      2.818609      7.601608
  C     -10.772727      2.864971      6.279366
  H      -3.743484      1.191819      2.583654
  H      -4.767097      2.508391      3.182476
  H      -5.997206      0.861392      4.665726
  H      -5.138790     -0.449543      3.841975
  H      -7.378533     -0.114568      2.836014
  H      -7.055656      1.610327      2.586178
  H      -5.182278      2.064900     -1.417253
  H      -4.186784     -2.388196     -1.953576
  H      -4.499091     -4.433783     -0.550533
  H      -5.561117     -4.259822      1.695106
  H      -6.297610     -2.070118      2.565742
  H      -4.455397      6.250162      6.019682
  H      -3.044246      6.378998      7.078672
  H      -2.090781      8.199887      5.681056
  H      -3.707385      8.581378      6.298106
  H      -3.514451      9.309284      3.969197
  H      -2.983364      7.691509      3.452773
  H      -7.972291      9.047254      4.892579
  H      -8.467396      5.197456      2.458914
  H      -6.874157      3.593420      1.340139
  H      -4.440168      4.025172      1.409511
  H      -3.534629      5.983593      2.593488
  H      -6.511389      2.523793      6.430723
  H      -6.594253      3.344219      4.863839
  H      -6.758626      4.993431      7.407028
  H      -7.382015      5.377608      5.800447
  H      -8.454982      3.251616      7.750651
  H      -9.168382      4.829255      7.484173
  H      -9.579622      2.951947      2.692181
  H     -13.383662      1.313908      4.674193
  H     -14.248161      1.249142      7.020087
  H     -12.897462      2.215768      8.875589
  H     -10.696574      3.240214      8.420451
  N      -2.305708      3.750203      3.071219
  N      -1.567385      3.904402      2.072284
  H      -1.288076      2.991778      1.653690
98
Coordinates from ORCA-job orca E -6258.454339579316
  N      -3.530830      1.683414      4.645283
  Mo     -3.520500      3.782793      4.447193
  N      -4.905356      3.821588      5.979053
  C      -4.306728      3.646006      7.298338
  C      -3.091243      2.718515      7.217990
  N      -2.168516      3.143598      6.107217
  C      -1.353901      1.998337      5.611213
  C      -2.192716      1.141635      4.637526
  C      -1.285037      4.273639      6.543283
  C      -1.308246      5.337638      5.447604
  N      -2.710877      5.536970      5.122868
  H      -1.728905      1.180041      3.629440
  H      -2.189867      0.080866      4.955126
  H      -0.489677      2.424215      5.086650
  H      -0.980163      1.421811      6.474483
  H      -0.819048      6.261708      5.806054
  H      -0.763651      4.987151      4.557990
  H      -1.711466      4.693000      7.464914
  H      -0.278611      3.893128      6.780767
  H      -5.019544      3.186784      8.009839
  H      -4.010495      4.612386      7.755033
  H      -3.431539      1.708581      6.968628
  H      -2.522488      2.693682      8.164439
  C      -4.330554      1.497855      3.478583
  C      -5.535425      0.577256      3.715126
  C      -6.596420      0.616331      2.598147
  C      -6.033226      0.352435      1.230292
  N      -5.866235      1.401489      0.429910
  C      -5.297260      1.180730     -0.785696
  N      -4.872031      0.036412     -1.282110
  C      -5.049967     -1.062707     -0.487274
  C      -4.631411     -2.330573     -0.960634
  C      -4.810720     -3.454021     -0.180402
  C      -5.416366     -3.357099      1.094593
  C      -5.829677     -2.133456      1.581260
  C      -5.651164     -0.959462      0.806653
  C      -3.372386      6.476811      6.020504
  C      -3.148415      7.935185      5.593929
  C      -3.616983      8.235152      4.158003
  C      -5.062769      7.874490      3.970709
  N      -5.953078      8.690546      4.533662
  C      -7.263263      8.360837      4.419453
  N      -7.785785      7.318910      3.799038
  C      -6.893328      6.471565      3.206115
  C      -7.385827      5.339774      2.505341
  C      -6.513953      4.464527      1.899439
  C      -5.114470      4.686401      1.959254
  C      -4.600886      5.786694      2.630659
  C      -5.484504      6.702679      3.273259
  C      -6.311557      3.500373      5.910463
  C      -7.249505      4.562605      6.519777
  C      -8.609743      4.031136      6.973877
  C      -9.508985      3.440890      5.919269
  N      -9.119184      3.469229      4.652537
  C      -9.943971      2.913911      3.724734
  N     -11.109936      2.333885      3.920039
  C     -11.548027      2.305272      5.217088
  C     -12.802541      1.714197      5.505723
  C     -13.269870      1.680914      6.803460
  C     -12.504635      2.232071      7.857422
  C     -11.276561      2.810068      7.602735
  C     -10.770280      2.859722      6.280108
  H      -3.750704      1.188483      2.584895
  H      -4.773114      2.508832      3.177229
  H      -6.008833      0.868321      4.663023
  H      -5.149877     -0.446178      3.845439
  H      -7.384463     -0.116092      2.830853
  H      -7.065204      1.609648      2.581106
  H      -5.177170      2.068535     -1.415084
  H      -4.175030     -2.383352     -1.949988
  H      -4.489213     -4.429806     -0.548735
  H      -5.558411     -4.257895      1.693654
  H      -6.300574     -2.069482      2.562635
  H      -4.448626      6.254414      6.017434
  H      -3.035828      6.381648      7.074223
  H      -2.082191      8.201440      5.674556
  H      -3.697091      8.585126      6.294550
  H      -3.510231      9.313027      3.966191
  H      -2.980129      7.695802      3.447466
  H      -7.966028      9.049649      4.900181
  H      -8.465182      5.197357      2.470149
  H      -6.873816      3.593781      1.348602
  H      -4.439473      4.026804      1.412295
  H      -3.532520      5.986935      2.593537
  H      -6.512417      2.529294      6.423211
  H      -6.597281      3.353767      4.858405
  H      -6.759850      4.993582      7.408121
  H      -7.381950      5.386354      5.803153
  H      -8.459175      3.262739      7.753750
  H      -9.171810      4.838756      7.475760
  H      -9.581847      2.955913      2.691453
  H     -13.375846      1.298206      4.676007
  H     -14.238379      1.227853      7.022594
  H     -12.890416      2.199376      8.877614
  H     -10.694693      3.233713      8.421688
  N      -2.304169      3.742149      3.070481
  N      -1.559035      3.875030      2.073642
  H      -1.303125      2.954360      1.657356
98
Coordinates from ORCA-job orca E -6258.454356055086
  N      -3.546431      1.687730      4.647643
  Mo     -3.525286      3.786678      4.445222
  N      -4.911228      3.832944      5.976278
  C      -4.314435      3.657257      7.296288
  C      -3.102718      2.724776      7.219106
  N      -2.177220      3.143051      6.108197
  C      -1.368378      1.992740      5.614947
  C      -2.212047      1.136883      4.644890
  C      -1.287865      4.268873      6.542399
  C      -1.305322      5.331223      5.444961
  N      -2.706627      5.537201      5.119593
  H      -1.746254      1.166395      3.637386
  H      -2.217138      0.077752      4.967908
  H      -0.502952      2.413089      5.087954
  H      -0.996105      1.417251      6.479549
  H      -0.811559      6.253269      5.802317
  H      -0.762460      4.976092      4.556129
  H      -1.711520      4.691569      7.463777
  H      -0.283191      3.883766      6.779790
  H      -5.029740      3.202282      8.008109
  H      -4.015176      4.623329      7.751783
  H      -3.446783      1.715496      6.972347
  H      -2.535015      2.700199      8.166187
  C      -4.344145      1.499854      3.479594
  C      -5.549703      0.579817      3.715487
  C      -6.607431      0.615735      2.595088
  C      -6.039038      0.353834      1.229012
  N      -5.873837      1.403684      0.429259
  C      -5.300303      1.185362     -0.784673
  N      -4.869607      0.042681     -1.280161
  C      -5.045877     -1.057264     -0.486083
  C      -4.621605     -2.323559     -0.958542
  C      -4.798831     -3.447782     -0.178960
  C      -5.408019     -3.353301      1.094564
  C      -5.827055     -2.131259      1.580276
  C      -5.650908     -0.956481      0.806232
  C      -3.363913      6.479932      6.017530
  C      -3.135737      7.937172      5.589349
  C      -3.604845      8.236414      4.153510
  C      -5.051489      7.877875      3.968278
  N      -5.939751      8.694998      4.532780
  C      -7.250586      8.367116      4.420714
  N      -7.775508      7.325955      3.800989
  C      -6.885053      6.477239      3.206979
  C      -7.380102      5.345805      2.507300
  C      -6.510402      4.468862      1.900642
  C      -5.110458      4.689019      1.958138
  C      -4.594519      5.789087      2.628079
  C      -5.475967      6.706530      3.271778
  C      -6.317520      3.511574      5.906520
  C      -7.255630      4.574800      6.513725
  C      -8.615626      4.044318      6.969587
  C      -9.512893      3.447137      5.917268
  N      -9.128341      3.483139      4.649030
  C      -9.952129      2.924113      3.722563
  N     -11.112219      2.333289      3.920529
  C     -11.544127      2.295173      5.219368
  C     -12.791578      1.690926      5.511239
  C     -13.252295      1.647187      6.810975
  C     -12.487371      2.200949      7.863838
  C     -11.266322      2.792082      7.605957
  C     -10.766831      2.852505      6.281246
  H      -3.762177      1.187138      2.588407
  H      -4.785633      2.509687      3.175605
  H      -6.025819      0.873976      4.661091
  H      -5.164672     -0.443253      3.850003
  H      -7.393484     -0.119541      2.825501
  H      -7.079127      1.607622      2.576241
  H      -5.181531      2.073852     -1.413309
  H      -4.162521     -2.374512     -1.946746
  H      -4.472854     -4.422321     -0.546615
  H      -5.548162     -4.254676      1.693202
  H      -6.300625     -2.069075      2.560487
  H      -4.440948      6.260972      6.015909
  H      -3.026429      6.384022      7.070800
  H      -2.068647      8.200277      5.668994
  H      -3.681990      8.589882      6.289258
  H      -3.496555      9.313905      3.960240
  H      -2.969646      7.695508      3.442719
  H      -7.951392      9.057048      4.902616
  H      -8.459605      5.204632      2.473524
  H      -6.872247      3.598422      1.350626
  H      -4.437107      4.028412      1.410250
  H      -3.526263      5.989158      2.589225
  H      -6.518519      2.541097      6.420326
  H      -6.602169      3.363362      4.854435
  H      -6.765654      5.006917      7.401352
  H      -7.387592      5.397094      5.795436
  H      -8.465177      3.281547      7.754817
  H      -9.179191      4.854849      7.465342
  H      -9.594336      2.972641      2.688061
  H     -13.364827      1.273043      4.682440
  H     -14.215238      1.183658      7.032564
  H     -12.867824      2.159682      8.885690
  H     -10.684751      3.217774      8.424086
  N      -2.307346      3.733463      3.070208
  N      -1.557569      3.848060      2.074745
  H      -1.303356      2.919931      1.674129
98
Coordinates from ORCA-job orca E -6258.454374449418
  N      -3.551385      1.690808      4.649638
  Mo     -3.526061      3.790086      4.445700
  N      -4.911363      3.835659      5.977345
  C      -4.314463      3.659752      7.297214
  C      -3.102601      2.727594      7.219918
  N      -2.177741      3.144529      6.108013
  C      -1.371250      1.992984      5.614052
  C      -2.218523      1.136172      4.647988
  C      -1.286256      4.269022      6.541075
  C      -1.303643      5.331789      5.443969
  N      -2.704858      5.539060      5.119147
  H      -1.753178      1.160274      3.640147
  H      -2.226449      0.078220      4.974783
  H      -0.507350      2.412144      5.083657
  H      -0.996482      1.418493      6.478262
  H      -0.809132      6.253304      5.801639
  H      -0.761493      4.976250      4.554871
  H      -1.707609      4.691666      7.463518
  H      -0.281505      3.882747      6.776147
  H      -5.029476      3.203784      8.008788
  H      -4.016035      4.625645      7.753724
  H      -3.446600      1.717881      6.974945
  H      -2.534370      2.704257      8.166718
  C      -4.349001      1.501689      3.481471
  C      -5.554234      0.581362      3.718239
  C      -6.611803      0.616463      2.597492
  C      -6.043068      0.355618      1.231389
  N      -5.880128      1.405966      0.431855
  C      -5.307028      1.188999     -0.782518
  N      -4.874800      0.047197     -1.278619
  C      -5.048650     -1.053294     -0.484718
  C      -4.622702     -2.318744     -0.957885
  C      -4.797504     -3.443448     -0.178472
  C      -5.405777     -3.350323      1.095618
  C      -5.826405     -2.129112      1.581972
  C      -5.652883     -0.953851      0.808053
  C      -3.361122      6.482303      6.017598
  C      -3.133051      7.939234      5.588359
  C      -3.602473      8.236829      4.152328
  C      -5.049236      7.878343      3.967365
  N      -5.937217      8.695206      4.532628
  C      -7.248206      8.368196      4.419873
  N      -7.773498      7.328078      3.798658
  C      -6.883329      6.479337      3.204400
  C      -7.378711      5.348815      2.503420
  C      -6.509449      4.471455      1.896748
  C      -5.109296      4.690570      1.955306
  C      -4.593066      5.789969      2.626000
  C      -5.474192      6.707775      3.269897
  C      -6.317622      3.513401      5.908138
  C      -7.256611      4.576881      6.513313
  C      -8.616746      4.046070      6.968614
  C      -9.512806      3.447496      5.915979
  N      -9.128684      3.486187      4.647589
  C      -9.951785      2.927301      3.720482
  N     -11.110983      2.334547      3.917787
  C     -11.541812      2.292544      5.216804
  C     -12.787509      1.684575      5.508237
  C     -13.246780      1.635994      6.808291
  C     -12.482192      2.188790      7.861920
  C     -11.263050      2.783867      7.604413
  C     -10.764927      2.849097      6.279432
  H      -3.766610      1.187812      2.590939
  H      -4.791179      2.510500      3.176615
  H      -6.030592      0.876812      4.663317
  H      -5.169439     -0.441591      3.854178
  H      -7.397024     -0.119747      2.827778
  H      -7.084314      1.607978      2.578655
  H      -5.190159      2.077926     -1.410886
  H      -4.164291     -2.368596     -1.946468
  H      -4.470234     -4.417336     -0.546672
  H      -5.543915     -4.252071      1.694144
  H      -6.299155     -2.067882      2.562654
  H      -4.438205      6.263479      6.016990
  H      -3.022605      6.386159      7.070414
  H      -2.065887      8.202207      5.667555
  H      -3.679216      8.592755      6.287533
  H      -3.494145      9.314048      3.957449
  H      -2.967432      7.695041      3.442100
  H      -7.948558      9.058225      4.902280
  H      -8.458262      5.208368      2.468627
  H      -6.871717      3.601613      1.346111
  H      -4.436171      4.029295      1.407926
  H      -3.524812      5.989916      2.588047
  H      -6.517595      2.543691      6.423813
  H      -6.601922      3.362574      4.856386
  H      -6.767228      5.009665      7.400945
  H      -7.387974      5.398299      5.793973
  H      -8.466068      3.284286      7.754693
  H      -9.180969      4.856954      7.463112
  H      -9.594370      2.978198      2.685980
  H     -13.360500      1.267496      4.678866
  H     -14.208253      1.169304      7.029498
  H     -12.861312      2.143513      8.884082
  H     -10.681948      3.208950      8.423205
  N      -2.307000      3.728439      3.071941
  N      -1.551581      3.822385      2.078715
  H      -1.307201      2.886444      1.690210
98
Coordinates from ORCA-job orca E -6258.454391800193
  N      -3.559883      1.697265      4.651361
  Mo     -3.527289      3.796991      4.445568
  N      -4.912054      3.841526      5.977100
  C      -4.315652      3.662825      7.296993
  C      -3.103562      2.730980      7.218605
  N      -2.179080      3.147292      6.106169
  C      -1.376242      1.994147      5.610533
  C      -2.229668      1.136068      4.651211
  C      -1.284421      4.269259      6.539052
  C      -1.301155      5.333750      5.443780
  N      -2.701993      5.543040      5.118728
  H      -1.765371      1.151138      3.642712
  H      -2.242251      0.080136      4.984311
  H      -0.515048      2.411813      5.074588
  H      -0.997154      1.421032      6.473815
  H      -0.805908      6.254206      5.803193
  H      -0.759012      4.979045      4.554330
  H      -1.702663      4.690805      7.463399
  H      -0.279666      3.880793      6.770422
  H      -5.030366      3.204097      8.007174
  H      -4.018022      4.627554      7.756188
  H      -3.447704      1.721055      6.974734
  H      -2.534953      2.708072      8.165193
  C      -4.357258      1.507821      3.483063
  C      -5.561826      0.586307      3.719901
  C      -6.618302      0.618533      2.597777
  C      -6.048614      0.356031      1.232420
  N      -5.886843      1.405261      0.431235
  C      -5.313538      1.186966     -0.782755
  N      -4.880045      0.044904     -1.277045
  C      -5.052403     -1.054487     -0.481316
  C      -4.624916     -2.320151     -0.952503
  C      -4.798213     -3.443724     -0.171169
  C      -5.406332     -3.349193      1.102888
  C      -5.828409     -2.127710      1.587265
  C      -5.656597     -0.953591      0.811333
  C      -3.356961      6.487485      6.017414
  C      -3.128580      7.944109      5.587105
  C      -3.598683      8.240282      4.151015
  C      -5.045662      7.882194      3.966475
  N      -5.933429      8.698738      4.532638
  C      -7.244562      8.372416      4.419154
  N      -7.770164      7.333229      3.796624
  C      -6.880269      6.484611      3.202170
  C      -7.375716      5.354261      2.500990
  C      -6.506762      4.476573      1.894510
  C      -5.106471      4.695377      1.952990
  C      -4.590174      5.794779      2.623399
  C      -5.471080      6.712591      3.267866
  C      -6.318416      3.520079      5.907690
  C      -7.258175      4.580006      6.517761
  C      -8.615623      4.042401      6.972898
  C      -9.511052      3.448830      5.916929
  N      -9.128881      3.500098      4.648321
  C      -9.950975      2.945857      3.717688
  N     -11.107786      2.347289      3.911478
  C     -11.536533      2.292359      5.210673
  C     -12.779451      1.677211      5.498710
  C     -13.236369      1.615191      6.799065
  C     -12.472162      2.161500      7.856346
  C     -11.255806      2.763599      7.602128
  C     -10.760092      2.842518      6.276972
  H      -3.774291      1.194082      2.592787
  H      -4.801290      2.515594      3.178635
  H      -6.039973      0.883495      4.663499
  H      -5.176873     -0.436175      3.858687
  H      -7.402928     -0.118131      2.828651
  H      -7.091657      1.609609      2.576969
  H      -5.197456      2.075032     -1.412512
  H      -4.166496     -2.370956     -1.941036
  H      -4.469831     -4.417811     -0.537832
  H      -5.543211     -4.250086      1.702954
  H      -6.300845     -2.065369      2.568033
  H      -4.434092      6.269250      6.017953
  H      -3.017033      6.390946      7.069591
  H      -2.061245      8.206519      5.665454
  H      -3.674274      8.598390      6.285889
  H      -3.489887      9.317096      3.954120
  H      -2.964142      7.697010      3.441531
  H      -7.944668      9.062170      4.902301
  H      -8.455319      5.213816      2.466132
  H      -6.869460      3.606657      1.344400
  H      -4.433854      4.033048      1.406376
  H      -3.522021      5.995104      2.585775
  H      -6.517922      2.547998      6.419186
  H      -6.602637      3.373378      4.855258
  H      -6.767977      5.011361      7.405578
  H      -7.393643      5.402983      5.801045
  H      -8.459743      3.274672      7.752170
  H      -9.181421      4.847238      7.475431
  H      -9.594802      3.006260      2.683217
  H     -13.352192      1.265427      4.666567
  H     -14.195640      1.142782      7.017599
  H     -12.849192      2.105484      8.878765
  H     -10.675189      3.183802      8.423767
  N      -2.306885      3.722547      3.073428
  N      -1.545037      3.784679      2.082648
  H      -1.318630      2.837269      1.711143
98
Coordinates from ORCA-job orca E -6258.454397858338
  N      -3.552932      1.694825      4.651033
  Mo     -3.524843      3.795632      4.446576
  N      -4.908621      3.833419      5.978614
  C      -4.310888      3.655369      7.298062
  C      -3.095647      2.727688      7.217853
  N      -2.173803      3.147995      6.104623
  C      -1.368220      1.997778      5.606548
  C      -2.221160      1.137106      4.648923
  C      -1.281999      4.272254      6.537833
  C      -1.303148      5.338139      5.443812
  N      -2.705021      5.543013      5.119989
  H      -1.758421      1.152321      3.639779
  H      -2.230480      0.081382      4.982782
  H      -0.509796      2.418846      5.068815
  H      -0.985084      1.425558      6.468651
  H      -0.810998      6.259884      5.804112
  H      -0.760233      4.986687      4.553477
  H      -1.700608      4.691357      7.463119
  H      -0.275828      3.886484      6.767441
  H      -5.023458      3.193321      8.008229
  H      -4.015727      4.620705      7.757627
  H      -3.436674      1.716806      6.973835
  H      -2.525965      2.706180      8.163817
  C      -4.351101      1.506173      3.483254
  C      -5.553692      0.582122      3.719986
  C      -6.612155      0.616055      2.599970
  C      -6.045222      0.355949      1.233027
  N      -5.885979      1.406341      0.432742
  C      -5.315100      1.190038     -0.782771
  N      -4.881647      0.048930     -1.279348
  C      -5.051210     -1.051583     -0.484499
  C      -4.623303     -2.316253     -0.958009
  C      -4.793898     -3.440934     -0.177604
  C      -5.399641     -3.348534      1.097715
  C      -5.822006     -2.128036      1.584381
  C      -5.652853     -0.952814      0.809510
  C      -3.362527      6.485006      6.019664
  C      -3.138183      7.942580      5.590764
  C      -3.608503      8.238400      4.154720
  C      -5.054689      7.877658      3.969156
  N      -5.944217      8.692547      4.535011
  C      -7.254745      8.364760      4.419395
  N      -7.778249      7.325815      3.794692
  C      -6.886610      6.478845      3.200460
  C      -7.379759      5.349097      2.496668
  C      -6.508894      4.472926      1.890655
  C      -5.108877      4.692714      1.952277
  C      -4.594815      5.791622      2.625170
  C      -5.477689      6.708124      3.268831
  C      -6.315019      3.512215      5.910388
  C      -7.254532      4.574612      6.516811
  C      -8.612634      4.038684      6.972331
  C      -9.510555      3.447580      5.916755
  N      -9.126499      3.490841      4.648438
  C      -9.950469      2.936686      3.719310
  N     -11.110959      2.345598      3.914311
  C     -11.542261      2.300196      5.213017
  C     -12.789582      1.694508      5.502190
  C     -13.248922      1.642162      6.802115
  C     -12.482800      2.188830      7.857829
  C     -11.262086      2.781686      7.602501
  C     -10.763942      2.850794      6.277722
  H      -3.768913      1.195470      2.591319
  H      -4.797903      2.513576      3.180760
  H      -6.030617      0.876040      4.665235
  H      -5.166996     -0.440135      3.855461
  H      -7.396738     -0.120692      2.830951
  H      -7.085436      1.607223      2.581859
  H      -5.201324      2.078920     -1.411784
  H      -4.166760     -2.365355     -1.947480
  H      -4.465178     -4.414241     -0.546042
  H      -5.534440     -4.250305      1.696971
  H      -6.292598     -2.067301      2.566126
  H      -4.439143      6.263858      6.020131
  H      -3.022006      6.388329      7.071631
  H      -2.071597      8.207961      5.669469
  H      -3.685935      8.594511      6.290119
  H      -3.501565      9.315446      3.958094
  H      -2.972575      7.696287      3.445546
  H      -7.956361      9.053234      4.902155
  H      -8.459184      5.208038      2.459601
  H      -6.869858      3.603328      1.338777
  H      -4.434799      4.031292      1.406241
  H      -3.526583      5.991968      2.590469
  H      -6.515052      2.541876      6.424871
  H      -6.599307      3.362579      4.858447
  H      -6.764636      5.009002      7.403319
  H      -7.389357      5.395148      5.797158
  H      -8.456781      3.269014      7.749833
  H      -9.176620      4.843106      7.477250
  H      -9.592269      2.989253      2.685169
  H     -13.363675      1.282158      4.671216
  H     -14.211617      1.177149      7.021517
  H     -12.861788      2.140557      8.879901
  H     -10.679845      3.202168      8.422857
  N      -2.303620      3.720944      3.075084
  N      -1.538354      3.772270      2.086343
  H      -1.319198      2.821249      1.719766
98
Coordinates from ORCA-job orca E -6258.454402325568
  N      -3.553529      1.694798      4.650839
  Mo     -3.525105      3.795955      4.446056
  N      -4.909068      3.832729      5.977546
  C      -4.311449      3.654333      7.297182
  C      -3.095839      2.727018      7.216881
  N      -2.174223      3.148132      6.103761
  C      -1.368309      1.998350      5.605212
  C      -2.221828      1.136771      4.648964
  C      -1.282648      4.272352      6.537574
  C      -1.303685      5.338457      5.443934
  N      -2.705506      5.543001      5.119955
  H      -1.759357      1.150036      3.639715
  H      -2.231438      0.081559      4.984451
  H      -0.510809      2.419986      5.066398
  H      -0.983818      1.426769      6.467144
  H      -0.811769      6.260260      5.804443
  H      -0.760432      4.987643      4.553512
  H      -1.701758      4.691293      7.462711
  H      -0.276573      3.886469      6.767490
  H      -5.023885      3.192191      8.007312
  H      -4.015993      4.619866      7.756024
  H      -3.436638      1.716200      6.972353
  H      -2.526200      2.705449      8.162853
  C      -4.351460      1.507349      3.482991
  C      -5.552875      0.581320      3.718075
  C      -6.611072      0.614641      2.597893
  C      -6.043752      0.355169      1.230999
  N      -5.885287      1.405586      0.430604
  C      -5.313876      1.189654     -0.784701
  N      -4.879096      0.048901     -1.281052
  C      -5.047911     -1.051636     -0.486125
  C      -4.618603     -2.315973     -0.959353
  C      -4.788487     -3.440763     -0.178941
  C      -5.394971     -3.348809      1.096035
  C      -5.818706     -2.128659      1.582467
  C      -5.650192     -0.953337      0.807657
  C      -3.363387      6.485056      6.019207
  C      -3.138880      7.942693      5.590709
  C      -3.609206      8.239463      4.154810
  C      -5.055327      7.878848      3.968895
  N      -5.945055      8.693893      4.534206
  C      -7.255454      8.365455      4.418913
  N      -7.778671      7.325727      3.795271
  C      -6.886823      6.478699      3.201410
  C      -7.379616      5.348011      2.498849
  C      -6.508363      4.472108      1.893016
  C      -5.108496      4.692939      1.953534
  C      -4.594815      5.792563      2.625667
  C      -5.477953      6.708722      3.269251
  C      -6.315327      3.511652      5.909010
  C      -7.254801      4.573298      6.517268
  C      -8.611440      4.035291      6.974331
  C      -9.510619      3.446332      5.918682
  N      -9.126544      3.488522      4.650426
  C      -9.950895      2.934140      3.721744
  N     -11.112010      2.344389      3.917127
  C     -11.544057      2.301471      5.215698
  C     -12.792674      1.698544      5.505165
  C     -13.252842      1.649313      6.804938
  C     -12.486211      2.196066      7.860224
  C     -11.264047      2.785916      7.604669
  C     -10.765206      2.852035      6.279983
  H      -3.769299      1.199281      2.590055
  H      -4.799936      2.514811      3.182573
  H      -6.030649      0.873063      4.663603
  H      -5.164360     -0.440429      3.852257
  H      -7.395306     -0.122637      2.828360
  H      -7.085267      1.605430      2.580044
  H      -5.200693      2.078580     -1.413770
  H      -4.161573     -2.364754     -1.948620
  H      -4.458674     -4.413802     -0.547147
  H      -5.529251     -4.250672      1.695270
  H      -6.289912     -2.068358      2.563943
  H      -4.439959      6.263975      6.019192
  H      -3.023147      6.388453      7.071299
  H      -2.072324      8.208158      5.669389
  H      -3.686480      8.594039      6.290758
  H      -3.502010      9.316607      3.959015
  H      -2.973225      7.697603      3.445458
  H      -7.957496      9.053776      4.901283
  H      -8.458995      5.206226      2.462841
  H      -6.868887      3.601669      1.342136
  H      -4.434427      4.031849      1.407090
  H      -3.526558      5.993046      2.590546
  H      -6.516021      2.540471      6.421545
  H      -6.599770      3.364565      4.856688
  H      -6.764254      5.008927      7.402750
  H      -7.392369      5.393539      5.797753
  H      -8.453450      3.262954      7.748854
  H      -9.175460      4.837180      7.483169
  H      -9.592982      2.985950      2.687443
  H     -13.367153      1.286013      4.674544
  H     -14.216669      1.186746      7.024590
  H     -12.866020      2.150374      8.882128
  H     -10.681123      3.206293      8.424572
  N      -2.303522      3.719131      3.074835
  N      -1.538073      3.764646      2.085825
  H      -1.323843      2.811714      1.721290
98
Coordinates from ORCA-job orca E -6258.454405538625
  N      -3.554262      1.693946      4.650971
  Mo     -3.525516      3.795577      4.445203
  N      -4.909475      3.832378      5.976583
  C      -4.311750      3.654298      7.296330
  C      -3.096359      2.726670      7.216358
  N      -2.174937      3.147901      6.103128
  C      -1.368754      1.998302      5.604568
  C      -2.222511      1.135992      4.649193
  C      -1.283404      4.272134      6.536947
  C      -1.303955      5.337728      5.442778
  N      -2.705765      5.542468      5.119015
  H      -1.760221      1.147887      3.639878
  H      -2.232307      0.081143      4.985865
  H      -0.511738      2.420103      5.065088
  H      -0.983547      1.427302      6.466565
  H      -0.811576      6.259572      5.802561
  H      -0.761030      4.986412      4.552328
  H      -1.703182      4.691868      7.461421
  H      -0.277677      3.886036      6.768048
  H      -5.024394      3.193459      8.006989
  H      -4.015390      4.620301      7.753555
  H      -3.437391      1.716007      6.971516
  H      -2.526715      2.705060      8.162294
  C      -4.351911      1.507795      3.482988
  C      -5.552352      0.580012      3.716001
  C      -6.609919      0.613190      2.595378
  C      -6.041538      0.354855      1.228707
  N      -5.883456      1.405616      0.428667
  C      -5.310576      1.190544     -0.786110
  N      -4.874010      0.050343     -1.282253
  C      -5.042625     -1.050541     -0.487793
  C      -4.611569     -2.314355     -0.960856
  C      -4.781288     -3.439571     -0.180998
  C      -5.389418     -3.348577      1.093242
  C      -5.814841     -2.128963      1.579573
  C      -5.646433     -0.953219      0.805359
  C      -3.363466      6.484900      6.017799
  C      -3.138625      7.942480      5.589386
  C      -3.609561      8.240213      4.153833
  C      -5.055713      7.879546      3.968593
  N      -5.945288      8.695032      4.533472
  C      -7.255637      8.365891      4.419621
  N      -7.778934      7.325080      3.797882
  C      -6.887236      6.477794      3.204015
  C      -7.380237      5.346163      2.503082
  C      -6.509041      4.470458      1.896863
  C      -5.109255      4.692160      1.955586
  C      -4.595446      5.792506      2.626602
  C      -5.478404      6.708532      3.270384
  C      -6.315375      3.510078      5.907956
  C      -7.255264      4.571159      6.517023
  C      -8.611024      4.032449      6.975519
  C      -9.511578      3.444627      5.920417
  N      -9.127382      3.484217      4.652204
  C      -9.952751      2.929976      3.724263
  N     -11.114696      2.342178      3.920548
  C     -11.547271      2.302614      5.219105
  C     -12.797298      1.702935      5.509332
  C     -13.258133      1.657679      6.809004
  C     -12.490785      2.205029      7.863443
  C     -11.267153      2.791580      7.607187
  C     -10.767707      2.853734      6.282539
  H      -3.769754      1.202179      2.589121
  H      -4.801509      2.515480      3.184579
  H      -6.030961      0.869297      4.661900
  H      -5.161971     -0.441261      3.848534
  H      -7.393843     -0.124756      2.824784
  H      -7.085031      1.603563      2.577881
  H      -5.197768      2.079691     -1.414922
  H      -4.153406     -2.362472     -1.949629
  H      -4.450100     -4.412187     -0.549089
  H      -5.523604     -4.250762      1.692027
  H      -6.287406     -2.069481      2.560437
  H      -4.440113      6.264124      6.017694
  H      -3.023406      6.388701      7.070031
  H      -2.072015      8.207851      5.667660
  H      -3.685627      8.593555      6.290191
  H      -3.502419      9.317536      3.959108
  H      -2.973841      7.698980      3.443738
  H      -7.957759      9.054389      4.901626
  H      -8.459590      5.203827      2.468681
  H      -6.869468      3.599419      1.346818
  H      -4.435380      4.031477      1.408378
  H      -3.527216      5.992992      2.590348
  H      -6.515862      2.538515      6.419731
  H      -6.600091      3.364135      4.855551
  H      -6.764457      5.008096      7.401705
  H      -7.394457      5.390937      5.797257
  H      -8.452308      3.258864      7.748716
  H      -9.174625      4.833335      7.486324
  H      -9.594715      2.979447      2.689883
  H     -13.372355      1.289797      4.679409
  H     -14.223129      1.197833      7.029295
  H     -12.871319      2.162539      8.885214
  H     -10.683356      3.212234      8.426319
  N      -2.304092      3.716949      3.073855
  N      -1.539427      3.759544      2.084102
  H      -1.326575      2.805564      1.721418
98
Coordinates from ORCA-job orca E -6258.454407004286
  N      -3.555883      1.693659      4.652243
  Mo     -3.526055      3.795658      4.444876
  N      -4.909629      3.833199      5.976685
  C      -4.311544      3.655787      7.296407
  C      -3.096673      2.727536      7.216801
  N      -2.175533      3.148014      6.103072
  C      -1.369803      1.998027      5.604703
  C      -2.224359      1.135156      4.650549
  C      -1.283423      4.272027      6.536153
  C      -1.303440      5.336850      5.441191
  N      -2.705228      5.542304      5.117850
  H      -1.762348      1.145454      3.641102
  H      -2.234731      0.080707      4.988491
  H      -0.513159      2.419352      5.064259
  H      -0.984006      1.427598      6.466817
  H      -0.810172      6.258599      5.800010
  H      -0.761248      4.984409      4.550741
  H      -1.703208      4.692896      7.460114
  H      -0.278039      3.885485      6.768028
  H      -5.024381      3.196450      8.007786
  H      -4.014394      4.622183      7.752273
  H      -3.438196      1.716929      6.972376
  H      -2.526783      2.706207      8.162578
  C      -4.353313      1.508290      3.484147
  C      -5.553072      0.579205      3.715556
  C      -6.610028      0.612384      2.594434
  C      -6.040652      0.355164      1.227956
  N      -5.883099      1.406384      0.428445
  C      -5.309246      1.192341     -0.786065
  N      -4.871220      0.052756     -1.282344
  C      -5.039474     -1.048623     -0.488506
  C      -4.607111     -2.311880     -0.961855
  C      -4.776568     -3.437628     -0.182718
  C      -5.385748     -3.347742      1.091106
  C      -5.812415     -2.128689      1.577739
  C      -5.644272     -0.952412      0.804260
  C      -3.362260      6.485407      6.016221
  C      -3.137080      7.942762      5.587246
  C      -3.608837      8.240752      4.151978
  C      -5.055131      7.880191      3.967732
  N      -5.944299      8.696098      4.532571
  C      -7.254719      8.366702      4.420127
  N      -7.778415      7.325253      3.799796
  C      -6.887116      6.477686      3.205663
  C      -7.380673      5.345649      2.505752
  C      -6.509903      4.469890      1.899003
  C      -5.110087      4.691752      1.956446
  C      -4.595805      5.792431      2.626637
  C      -5.478291      6.708636      3.270695
  C      -6.315111      3.508919      5.908347
  C      -7.255904      4.569393      6.517211
  C      -8.611259      4.030363      6.976274
  C      -9.512287      3.442811      5.921441
  N      -9.127487      3.480527      4.653388
  C      -9.953304      2.926669      3.725581
  N     -11.116148      2.340751      3.921957
  C     -11.549141      2.302702      5.220446
  C     -12.799881      1.704577      5.510771
  C     -13.261079      1.660787      6.810358
  C     -12.493447      2.208097      7.864605
  C     -11.269151      2.793187      7.608252
  C     -10.769308      2.853770      6.283685
  H      -3.771036      1.204307      2.589749
  H      -4.803703      2.516110      3.187260
  H      -6.032332      0.866792      4.661658
  H      -5.161381     -0.441718      3.846983
  H      -7.393575     -0.126242      2.822940
  H      -7.085890      1.602410      2.577202
  H      -5.196889      2.081850     -1.414439
  H      -4.148229     -2.359201     -1.950337
  H      -4.444370     -4.409808     -0.551049
  H      -5.519743     -4.250327      1.689327
  H      -6.285816     -2.070095      2.558254
  H      -4.439005      6.265023      6.016473
  H      -3.022118      6.389723      7.068494
  H      -2.070343      8.207828      5.664865
  H      -3.683322      8.594172      6.288351
  H      -3.501756      9.318157      3.957709
  H      -2.973566      7.699849      3.441223
  H      -7.956558      9.055509      4.902102
  H      -8.460046      5.203196      2.472503
  H      -6.870564      3.598683      1.349389
  H      -4.436523      4.031068      1.408856
  H      -3.527596      5.992847      2.589404
  H      -6.514475      2.537386      6.420562
  H      -6.600064      3.362432      4.856105
  H      -6.765311      5.007196      7.401595
  H      -7.395682      5.388762      5.797071
  H      -8.452526      3.256549      7.749272
  H      -9.174663      4.831113      7.487509
  H      -9.595063      2.975274      2.691227
  H     -13.375193      1.291395      4.681052
  H     -14.226626      1.202159      7.030770
  H     -12.874368      2.166746      8.886282
  H     -10.685004      3.213792      8.427161
  N      -2.305155      3.714450      3.073157
  N      -1.541162      3.753351      2.082768
  H      -1.329777      2.798080      1.722535
98
Coordinates from ORCA-job orca E -6258.454408550959
  N      -3.556987      1.693176      4.653996
  Mo     -3.526450      3.795533      4.444959
  N      -4.909327      3.833851      5.977565
  C      -4.310573      3.657270      7.297108
  C      -3.096178      2.728508      7.217640
  N      -2.175501      3.148188      6.103234
  C      -1.370249      1.997818      5.605055
  C      -2.225538      1.134486      4.651953
  C      -1.282907      4.272177      6.535251
  C      -1.302847      5.336225      5.439482
  N      -2.704712      5.542189      5.116711
  H      -1.764003      1.143915      3.642285
  H      -2.236051      0.080281      4.990657
  H      -0.513905      2.418635      5.063750
  H      -0.983971      1.427829      6.467248
  H      -0.808816      6.257941      5.797332
  H      -0.761470      4.982658      4.548996
  H      -1.702469      4.694051      7.458864
  H      -0.277696      3.885458      6.767572
  H      -5.023427      3.199263      8.009314
  H      -4.012867      4.623969      7.751944
  H      -3.438094      1.717859      6.973909
  H      -2.525833      2.707591      8.163149
  C      -4.354225      1.508753      3.485768
  C      -5.553272      0.578223      3.715250
  C      -6.609477      0.611726      2.593494
  C      -6.039059      0.355426      1.227257
  N      -5.881519      1.407119      0.428411
  C      -5.306748      1.193976     -0.785845
  N      -4.867855      0.054853     -1.282368
  C      -5.036199     -1.047038     -0.489251
  C      -4.603093     -2.309877     -0.963009
  C      -4.772726     -3.436130     -0.184659
  C      -5.382797     -3.347182      1.088824
  C      -5.810150     -2.128544      1.575853
  C      -5.641875     -0.951759      0.803152
  C      -3.361063      6.485986      6.014684
  C      -3.135878      7.943070      5.584789
  C      -3.608742      8.240697      4.149790
  C      -5.055187      7.880019      3.966940
  N      -5.943904      8.696140      4.532122
  C      -7.254414      8.366508      4.421196
  N      -7.778561      7.324672      3.801901
  C      -6.887713      6.477013      3.207195
  C      -7.381886      5.344858      2.507911
  C      -6.511657      4.469024      1.900505
  C      -5.111776      4.690812      1.956928
  C      -4.596943      5.791646      2.626443
  C      -5.478899      6.708097      3.270878
  C      -6.314363      3.507208      5.909809
  C      -7.256276      4.567000      6.518040
  C      -8.611448      4.027815      6.977269
  C      -9.512978      3.440828      5.922543
  N      -9.127322      3.476673      4.654686
  C      -9.954028      2.924420      3.726691
  N     -11.118271      2.341270      3.922813
  C     -11.551635      2.304252      5.221219
  C     -12.803404      1.708228      5.511346
  C     -13.264827      1.665140      6.810876
  C     -12.496525      2.211312      7.865229
  C     -11.271382      2.794621      7.609018
  C     -10.771201      2.854267      6.284547
  H      -3.771706      1.206756      2.590821
  H      -4.805541      2.516841      3.190834
  H      -6.033270      0.863981      4.661540
  H      -5.160383     -0.442399      3.845457
  H      -7.392787     -0.127425      2.821125
  H      -7.085770      1.601530      2.576436
  H      -5.194455      2.083853     -1.413701
  H      -4.143551     -2.356505     -1.951221
  H      -4.439977     -4.407988     -0.553329
  H      -5.516936     -4.250145      1.686437
  H      -6.284219     -2.070672      2.556090
  H      -4.437888      6.265794      6.015566
  H      -3.020675      6.390989      7.066946
  H      -2.069008      8.207898      5.661531
  H      -3.681370      8.595091      6.285910
  H      -3.501974      9.318129      3.955469
  H      -2.974007      7.699989      3.438422
  H      -7.955811      9.055521      4.903510
  H      -8.461289      5.202407      2.475535
  H      -6.872677      3.597908      1.351017
  H      -4.438518      4.029907      1.409226
  H      -3.528779      5.992056      2.588289
  H      -6.511998      2.535892      6.423102
  H      -6.599584      3.359238      4.857879
  H      -6.766014      5.005317      7.402386
  H      -7.396100      5.386033      5.797523
  H      -8.452841      3.253733      7.750052
  H      -9.174384      4.828607      7.488952
  H      -9.594988      2.971600      2.692550
  H     -13.379273      1.295883      4.681604
  H     -14.231077      1.207952      7.031182
  H     -12.877645      2.170433      8.886849
  H     -10.686699      3.214454      8.427946
  N      -2.306604      3.712592      3.072367
  N      -1.544128      3.749650      2.080791
  H      -1.332927      2.793728      1.722113
