93
Coordinates from ORCA-job orca E -6201.044648285158
  N      -2.599962      4.399255      7.346714
  Mo     -2.244497      2.859244      6.154403
  N      -2.451401      1.464545      7.523192
  C      -1.380160      1.273427      8.475534
  C      -0.651260      2.595688      8.722294
  N      -0.376325      3.269451      7.445224
  C      -0.256771      4.718721      7.637455
  C      -1.645202      5.286000      7.945468
  C       0.832768      2.744971      6.801810
  C       0.533865      2.695641      5.296203
  N      -0.726226      2.013444      5.159393
  H      -1.737151      6.308600      7.539852
  H      -1.816074      5.360364      9.034066
  H       0.110561      5.151875      6.704239
  H       0.454481      4.949290      8.440981
  H       1.349722      2.197849      4.760105
  H       0.451911      3.718865      4.904315
  H       1.011105      1.722813      7.144528
  H       1.710793      3.357291      7.029658
  H      -1.754430      0.903203      9.440835
  H      -0.668450      0.517594      8.095722
  H      -1.310113      3.233539      9.315019
  H       0.276544      2.430607      9.283566
  C      -3.971773      4.726618      7.584380
  C      -4.727517      3.938551      6.568820
  C      -5.974842      4.192833      6.148260
  C      -6.634081      3.542740      5.041935
  N      -5.847122      2.997135      4.095086
  C      -6.438812      2.482707      3.023154
  N      -7.704808      2.494177      2.720331
  C      -8.545245      3.010136      3.658397
  C      -9.925599      3.002972      3.408620
  C     -10.798732      3.490716      4.349602
  C     -10.320891      3.995811      5.561725
  C      -8.973594      4.022471      5.826964
  C      -8.050823      3.548533      4.879178
  C      -0.642713      0.723183      4.495792
  C      -1.398653     -0.368234      5.187232
  C      -2.341643     -1.177862      4.668926
  C      -2.976848     -1.122369      3.373548
  N      -2.927822      0.026421      2.677128
  C      -3.642877      0.111513      1.562169
  N      -4.434062     -0.786008      1.047069
  C      -4.474514     -1.990470      1.677468
  C      -5.278404     -3.006685      1.137097
  C      -5.312644     -4.243793      1.729430
  C      -4.542225     -4.502392      2.867597
  C      -3.758538     -3.520928      3.423492
  C      -3.716693     -2.234798      2.858364
  C      -3.559269      0.547970      7.717601
  C      -4.766598      1.253441      8.259682
  C      -6.010727      1.271074      7.749919
  C      -6.507376      0.689792      6.524154
  N      -5.630709      0.271991      5.598084
  C      -6.109546     -0.159046      4.436080
  N      -7.352134     -0.348299      4.096631
  C      -8.285024      0.018098      5.015769
  C      -9.641585     -0.153466      4.696703
  C     -10.614376      0.225485      5.587068
  C     -10.259644      0.776167      6.821534
  C      -8.940034      0.951086      7.157910
  C      -7.913706      0.579375      6.270453
  H      -4.165325      5.810369      7.468247
  H      -4.280574      4.457125      8.617962
  H      -4.136980      3.083270      6.200743
  H      -6.541067      4.975331      6.641548
  H      -5.772949      2.038529      2.287933
  H     -10.264952      2.595527      2.469659
  H     -11.859954      3.481417      4.155657
  H     -11.017920      4.368391      6.296220
  H      -8.618986      4.405848      6.772016
  H       0.409491      0.396189      4.470881
  H      -0.980690      0.802477      3.452176
  H      -1.058251     -0.583711      6.192184
  H      -2.694667     -1.985223      5.297338
  H      -3.571517      1.061817      1.037660
  H      -5.847345     -2.778728      0.250105
  H      -5.927496     -5.026076      1.312174
  H      -4.561529     -5.487585      3.310668
  H      -3.157599     -3.746469      4.290951
  H      -3.285875     -0.245939      8.432036
  H      -3.823777      0.068751      6.775009
  H      -4.597721      1.778492      9.193624
  H      -6.758605      1.803804      8.320682
  H      -5.373414     -0.405727      3.689888
  H      -9.877483     -0.580341      3.734582
  H     -11.655612      0.097123      5.337193
  H     -11.030693      1.064288      7.518365
  H      -8.696235      1.366627      8.123841
  N      -2.212491      4.307340      4.592708
  H      -2.139542      5.261903      4.941778
  H      -3.051716      4.282847      4.015246
  H      -1.428449      4.181122      3.954188
93
Coordinates from ORCA-job orca E -6201.065001540066
  N      -2.583107      4.447420      7.335668
  Mo     -2.222915      2.875805      6.171541
  N      -2.451827      1.486546      7.564622
  C      -1.374165      1.305526      8.523708
  C      -0.641751      2.623524      8.763745
  N      -0.350618      3.284066      7.472818
  C      -0.226354      4.746163      7.642211
  C      -1.614138      5.330338      7.930675
  C       0.861288      2.732678      6.835340
  C       0.568018      2.670387      5.330347
  N      -0.705417      1.995864      5.185784
  H      -1.687620      6.351692      7.509888
  H      -1.792668      5.425574      9.020150
  H       0.155122      5.161314      6.700898
  H       0.486251      4.983896      8.447008
  H       1.381990      2.157120      4.799364
  H       0.509902      3.699423      4.931670
  H       1.026105      1.710052      7.194171
  H       1.748358      3.340342      7.064269
  H      -1.753510      0.944126      9.492914
  H      -0.660364      0.540417      8.154045
  H      -1.299206      3.276236      9.348131
  H       0.286649      2.460019      9.332405
  C      -3.965443      4.795844      7.549234
  C      -4.722051      3.999897      6.532922
  C      -5.955124      4.253900      6.076940
  C      -6.591976      3.566729      4.967442
  N      -5.784773      2.990999      4.061119
  C      -6.360050      2.418566      2.990263
  N      -7.636507      2.393851      2.677705
  C      -8.490371      2.946509      3.586427
  C      -9.875873      2.930571      3.320079
  C     -10.760361      3.477363      4.224013
  C     -10.292971      4.053461      5.420473
  C      -8.944668      4.090123      5.701635
  C      -8.009027      3.559575      4.785721
  C      -0.644558      0.694516      4.522782
  C      -1.447845     -0.377881      5.194138
  C      -2.403374     -1.157859      4.645773
  C      -3.004490     -1.076255      3.322009
  N      -2.904992      0.070262      2.628836
  C      -3.582014      0.171662      1.473977
  N      -4.380171     -0.718296      0.926587
  C      -4.468814     -1.920442      1.565898
  C      -5.278811     -2.929914      1.002437
  C      -5.358562     -4.166503      1.603530
  C      -4.627885     -4.436108      2.777077
  C      -3.840912     -3.463715      3.356167
  C      -3.754156     -2.175270      2.781191
  C      -3.558765      0.550675      7.777466
  C      -4.778596      1.211037      8.351939
  C      -6.036670      1.193750      7.868758
  C      -6.543120      0.608318      6.636765
  N      -5.673845      0.216213      5.694817
  C      -6.163108     -0.214700      4.522693
  N      -7.421812     -0.393281      4.188601
  C      -8.345933     -0.042226      5.129570
  C      -9.713659     -0.223456      4.833160
  C     -10.674057      0.117246      5.759070
  C     -10.298129      0.640511      7.010527
  C      -8.969562      0.824188      7.325875
  C      -7.955000      0.486200      6.401780
  H      -4.147579      5.881020      7.411859
  H      -4.294176      4.548410      8.585006
  H      -4.146299      3.118705      6.183109
  H      -6.526436      5.057132      6.544897
  H      -5.676353      1.942311      2.282666
  H     -10.209297      2.470038      2.393332
  H     -11.828103      3.460541      4.015988
  H     -11.003417      4.472075      6.130118
  H      -8.598292      4.529066      6.635105
  H       0.404332      0.341482      4.515030
  H      -0.964953      0.782158      3.474296
  H      -1.139865     -0.607734      6.215109
  H      -2.796432     -1.962298      5.266647
  H      -3.466044      1.122436      0.944184
  H      -5.817044     -2.695967      0.087200
  H      -5.979946     -4.945172      1.166246
  H      -4.682631     -5.424955      3.228351
  H      -3.270555     -3.699708      4.251325
  H      -3.252308     -0.236532      8.489647
  H      -3.824198      0.060855      6.836689
  H      -4.607357      1.741054      9.292215
  H      -6.789282      1.709931      8.462764
  H      -5.421018     -0.451438      3.760559
  H      -9.968108     -0.631331      3.857764
  H     -11.727809     -0.018853      5.525671
  H     -11.064413      0.901402      7.737155
  H      -8.708244      1.217952      8.305259
  N      -2.190902      4.327760      4.550836
  H      -2.120721      5.293871      4.882959
  H      -3.037919      4.289981      3.970135
  H      -1.405019      4.188928      3.908304
93
Coordinates from ORCA-job orca E -6201.074451987547
  N      -2.591621      4.458384      7.347506
  Mo     -2.208367      2.867704      6.200324
  N      -2.440315      1.477813      7.611066
  C      -1.351398      1.311330      8.570151
  C      -0.624525      2.630312      8.799452
  N      -0.332073      3.286291      7.496430
  C      -0.222996      4.759800      7.650535
  C      -1.613688      5.341292      7.936727
  C       0.882216      2.727666      6.850812
  C       0.585491      2.658726      5.348416
  N      -0.690563      1.978305      5.200976
  H      -1.682919      6.363091      7.511465
  H      -1.789998      5.445983      9.027897
  H       0.160336      5.165164      6.702556
  H       0.494428      5.006949      8.450712
  H       1.398405      2.143519      4.812986
  H       0.535829      3.692150      4.949462
  H       1.047841      1.706883      7.220379
  H       1.769759      3.340052      7.079498
  H      -1.727935      0.956109      9.544217
  H      -0.635341      0.541419      8.206041
  H      -1.280958      3.292746      9.378110
  H       0.308536      2.477660      9.368127
  C      -3.986475      4.804355      7.550904
  C      -4.741174      4.000133      6.532931
  C      -5.964440      4.239247      6.049952
  C      -6.562131      3.536387      4.915717
  N      -5.721677      3.022497      4.010688
  C      -6.267419      2.448221      2.909654
  N      -7.549302      2.365114      2.592684
  C      -8.429026      2.854217      3.513781
  C      -9.818791      2.778154      3.246429
  C     -10.727967      3.265280      4.163228
  C     -10.286486      3.843297      5.378738
  C      -8.938657      3.939761      5.661275
  C      -7.978100      3.468328      4.729791
  C      -0.643577      0.674235      4.530688
  C      -1.481412     -0.381330      5.187535
  C      -2.448642     -1.133560      4.616782
  C      -3.021090     -1.026200      3.270611
  N      -2.876332      0.116847      2.586507
  C      -3.515305      0.231866      1.398009
  N      -4.318188     -0.647157      0.820515
  C      -4.452811     -1.844637      1.465555
  C      -5.269707     -2.844481      0.880882
  C      -5.393614     -4.078617      1.486005
  C      -4.700916     -4.360646      2.688328
  C      -3.909946     -3.400073      3.288397
  C      -3.779672     -2.111066      2.707507
  C      -3.553493      0.541505      7.833862
  C      -4.759735      1.227861      8.408293
  C      -6.024150      1.222727      7.934806
  C      -6.553950      0.585272      6.727067
  N      -5.701694      0.087264      5.824944
  C      -6.208204     -0.419569      4.679586
  N      -7.481341     -0.546725      4.343198
  C      -8.387448     -0.070605      5.249289
  C      -9.768626     -0.191241      4.957077
  C     -10.710571      0.267752      5.854820
  C     -10.307071      0.854816      7.078092
  C      -8.967770      0.982347      7.389938
  C      -7.971127      0.522339      6.490791
  H      -4.173763      5.888054      7.403218
  H      -4.321453      4.565137      8.587146
  H      -4.178979      3.102099      6.187739
  H      -6.552944      5.038648      6.511367
  H      -5.557596      2.022509      2.193496
  H     -10.133440      2.318701      2.306809
  H     -11.798837      3.201093      3.954402
  H     -11.019642      4.214057      6.099258
  H      -8.612995      4.376954      6.608034
  H       0.403236      0.306353      4.531856
  H      -0.955622      0.771621      3.480483
  H      -1.201288     -0.621750      6.219129
  H      -2.875301     -1.931334      5.230208
  H      -3.356259      1.178263      0.866115
  H      -5.777659     -2.604315     -0.055833
  H      -6.020709     -4.849506      1.031132
  H      -4.790320     -5.349967      3.143325
  H      -3.370402     -3.647758      4.204303
  H      -3.239802     -0.237457      8.554396
  H      -3.825717      0.042370      6.898209
  H      -4.572891      1.789244      9.333023
  H      -6.758590      1.789999      8.512081
  H      -5.466335     -0.762796      3.947805
  H     -10.047699     -0.651390      4.006536
  H     -11.775044      0.176902      5.623818
  H     -11.062858      1.209206      7.783572
  H      -8.684592      1.427366      8.345685
  N      -2.219741      4.328774      4.510305
  H      -2.164907      5.304306      4.822601
  H      -3.077688      4.261129      3.941898
  H      -1.440666      4.187935      3.856377
93
Coordinates from ORCA-job orca E -6201.081247174159
  N      -2.591803      4.488875      7.347242
  Mo     -2.197436      2.869869      6.230440
  N      -2.436786      1.487601      7.660576
  C      -1.337708      1.331409      8.614171
  C      -0.611900      2.649123      8.828044
  N      -0.318846      3.289754      7.512236
  C      -0.212612      4.770618      7.641048
  C      -1.598528      5.365640      7.921974
  C       0.890376      2.711917      6.863137
  C       0.589476      2.627931      5.364265
  N      -0.691152      1.952798      5.220147
  H      -1.653037      6.383451      7.484028
  H      -1.770234      5.490046      9.012397
  H       0.174068      5.154559      6.684915
  H       0.511505      5.025779      8.433107
  H       1.396300      2.101912      4.828146
  H       0.553127      3.659733      4.957220
  H       1.048758      1.696326      7.250885
  H       1.780998      3.323262      7.086398
  H      -1.710012      0.983440      9.592992
  H      -0.624219      0.556026      8.253985
  H      -1.261523      3.326006      9.398684
  H       0.325363      2.505007      9.393028
  C      -3.990564      4.849668      7.533857
  C      -4.749356      4.035243      6.523276
  C      -5.957540      4.262939      6.003791
  C      -6.514984      3.511046      4.871348
  N      -5.640310      2.939066      4.043440
  C      -6.147269      2.303349      2.949021
  N      -7.418336      2.215975      2.581823
  C      -8.328397      2.777130      3.428776
  C      -9.707632      2.721307      3.095296
  C     -10.644477      3.292757      3.930947
  C     -10.246700      3.937818      5.132566
  C      -8.912353      4.015331      5.478641
  C      -7.922060      3.457923      4.625912
  C      -0.667436      0.646732      4.549306
  C      -1.548963     -0.379857      5.194212
  C      -2.530081     -1.099332      4.604079
  C      -3.067309     -0.972751      3.237784
  N      -2.867674      0.160491      2.559153
  C      -3.458940      0.284361      1.340723
  N      -4.265838     -0.576942      0.736520
  C      -4.458077     -1.763400      1.387914
  C      -5.283851     -2.746622      0.781762
  C      -5.462927     -3.972526      1.389971
  C      -4.817495     -4.267106      2.619120
  C      -4.020509     -3.324279      3.240004
  C      -3.836363     -2.040613      2.654804
  C      -3.544402      0.544438      7.885531
  C      -4.748935      1.204688      8.492189
  C      -6.025229      1.186729      8.047729
  C      -6.566354      0.582982      6.820330
  N      -5.724768      0.181377      5.865986
  C      -6.247432     -0.288741      4.706270
  N      -7.527821     -0.448998      4.401106
  C      -8.419166     -0.073109      5.367039
  C      -9.805630     -0.254370      5.122597
  C     -10.731406      0.085759      6.087662
  C     -10.310072      0.614674      7.335068
  C      -8.967765      0.802711      7.601576
  C      -7.986645      0.460807      6.631271
  H      -4.169094      5.931253      7.364009
  H      -4.335172      4.633317      8.570993
  H      -4.213833      3.111730      6.192072
  H      -6.549819      5.085518      6.419268
  H      -5.413834      1.826527      2.293869
  H      -9.990281      2.211229      2.170595
  H     -11.706158      3.244912      3.672115
  H     -11.004948      4.373749      5.788920
  H      -8.621794      4.505586      6.411372
  H       0.371809      0.256128      4.562483
  H      -0.967660      0.752649      3.496521
  H      -1.301609     -0.626387      6.233724
  H      -2.995597     -1.880674      5.210653
  H      -3.247406      1.217864      0.805494
  H      -5.753151     -2.500323     -0.174486
  H      -6.096154     -4.729458      0.918343
  H      -4.949609     -5.251342      3.076340
  H      -3.519094     -3.584368      4.174358
  H      -3.205617     -0.238141      8.591086
  H      -3.820452      0.052147      6.947933
  H      -4.557151      1.747076      9.428507
  H      -6.758121      1.709560      8.667650
  H      -5.510203     -0.559767      3.937316
  H     -10.101596     -0.668194      4.154947
  H     -11.798998     -0.053749      5.893631
  H     -11.055233      0.874821      8.092446
  H      -8.668695      1.197747      8.574696
  N      -2.251707      4.326540      4.467235
  H      -2.206750      5.309338      4.755030
  H      -3.120039      4.228709      3.919178
  H      -1.483539      4.175980      3.803424
93
Coordinates from ORCA-job orca E -6201.087428732258
  N      -2.606495      4.492709      7.345601
  Mo     -2.190237      2.856225      6.260164
  N      -2.428890      1.489013      7.703876
  C      -1.327081      1.341045      8.650359
  C      -0.609984      2.662987      8.848639
  N      -0.322109      3.287369      7.525254
  C      -0.227168      4.769845      7.632969
  C      -1.611077      5.366974      7.914093
  C       0.884451      2.702216      6.878922
  C       0.585472      2.603269      5.382487
  N      -0.693603      1.931280      5.238363
  H      -1.660185      6.382777      7.472466
  H      -1.778723      5.499486      9.003473
  H       0.157679      5.139297      6.671771
  H       0.500032      5.036271      8.417439
  H       1.391547      2.072666      4.850690
  H       0.554288      3.629713      4.965754
  H       1.041267      1.693460      7.282242
  H       1.772365      3.316756      7.098993
  H      -1.694905      0.999162      9.632867
  H      -0.614688      0.564500      8.294536
  H      -1.258439      3.347710      9.409316
  H       0.329753      2.532610      9.410822
  C      -4.004217      4.856476      7.521186
  C      -4.760503      4.036936      6.516132
  C      -5.957732      4.260253      5.967457
  C      -6.469912      3.497874      4.820721
  N      -5.559022      2.962745      4.007022
  C      -6.022516      2.319645      2.900761
  N      -7.278746      2.185025      2.513641
  C      -8.224831      2.707271      3.344604
  C      -9.592397      2.603307      2.982980
  C     -10.564073      3.139761      3.798525
  C     -10.214678      3.795380      5.006705
  C      -8.892879      3.919121      5.380013
  C      -7.868506      3.398218      4.548494
  C      -0.681801      0.635024      4.554456
  C      -1.607430     -0.366513      5.174962
  C      -2.600416     -1.052377      4.565949
  C      -3.104763     -0.916238      3.188689
  N      -2.856594      0.205003      2.507133
  C      -3.398495      0.326398      1.268709
  N      -4.204242     -0.518829      0.648733
  C      -4.455457     -1.688587      1.308295
  C      -5.290111     -2.652617      0.687529
  C      -5.525684     -3.863425      1.302035
  C      -4.929578     -4.161988      2.552152
  C      -4.125798     -3.236990      3.186908
  C      -3.885321     -1.968209      2.594929
  C      -3.533477      0.549093      7.932122
  C      -4.725247      1.204284      8.565207
  C      -6.008973      1.185878      8.147035
  C      -6.568651      0.575567      6.932946
  N      -5.738804      0.158270      5.975574
  C      -6.274831     -0.326290      4.830943
  N      -7.555956     -0.464500      4.534241
  C      -8.435171     -0.065995      5.500397
  C      -9.823940     -0.230345      5.265471
  C     -10.738268      0.118846      6.235287
  C     -10.304340      0.642457      7.477811
  C      -8.960081      0.817460      7.734163
  C      -7.990674      0.465193      6.758259
  H      -4.180760      5.935667      7.338979
  H      -4.353317      4.651311      8.557858
  H      -4.242728      3.098370      6.196596
  H      -6.562466      5.083949      6.357867
  H      -5.261165      1.875866      2.257342
  H      -9.837663      2.086452      2.053876
  H     -11.616142      3.055707      3.519473
  H     -11.000509      4.201232      5.646027
  H      -8.639392      4.415418      6.317775
  H       0.347045      0.222075      4.585851
  H      -0.958930      0.758071      3.497329
  H      -1.396516     -0.617748      6.219046
  H      -3.103486     -1.813515      5.164900
  H      -3.141135      1.244113      0.729010
  H      -5.719655     -2.404739     -0.284414
  H      -6.165083     -4.605339      0.819954
  H      -5.105873     -5.134647      3.014545
  H      -3.663675     -3.501465      4.137688
  H      -3.181720     -0.238005      8.625294
  H      -3.821304      0.064689      6.994958
  H      -4.515931      1.748167      9.494339
  H      -6.728143      1.711430      8.776794
  H      -5.546117     -0.623801      4.067060
  H     -10.131097     -0.642038      4.302782
  H     -11.806429     -0.009883      6.049537
  H     -11.040950      0.909290      8.237898
  H      -8.650526      1.209384      8.702871
  N      -2.291667      4.287617      4.444472
  H      -2.260983      5.275996      4.708840
  H      -3.167762      4.154915      3.919673
  H      -1.533474      4.129252      3.773698
93
Coordinates from ORCA-job orca E -6201.093307375551
  N      -2.632095      4.482239      7.367124
  Mo     -2.181482      2.840770      6.302921
  N      -2.405341      1.479923      7.747448
  C      -1.298766      1.336921      8.682892
  C      -0.596790      2.666299      8.867327
  N      -0.328280      3.282904      7.536609
  C      -0.253457      4.766972      7.630767
  C      -1.636068      5.357226      7.926546
  C       0.876274      2.703481      6.880224
  C       0.571775      2.597653      5.387455
  N      -0.702709      1.921218      5.248693
  H      -1.687868      6.373699      7.486962
  H      -1.790741      5.491693      9.017597
  H       0.120296      5.130020      6.663363
  H       0.481066      5.045173      8.404158
  H       1.378721      2.071118      4.852912
  H       0.536585      3.621439      4.965792
  H       1.041323      1.699844      7.291515
  H       1.758818      3.326473      7.096226
  H      -1.655957      0.993746      9.669243
  H      -0.584844      0.564371      8.324090
  H      -1.245592      3.351691      9.425520
  H       0.350375      2.553690      9.420106
  C      -4.029339      4.839353      7.541811
  C      -4.782721      4.017481      6.540800
  C      -5.973205      4.230341      5.968331
  C      -6.429592      3.465237      4.801300
  N      -5.475462      2.982737      4.000704
  C      -5.882563      2.348855      2.870859
  N      -7.116949      2.175679      2.446772
  C      -8.107599      2.642983      3.259005
  C      -9.457454      2.487004      2.858620
  C     -10.472052      2.959336      3.660231
  C     -10.183991      3.598430      4.890307
  C      -8.879976      3.771500      5.301625
  C      -7.814449      3.314963      4.488167
  C      -0.697155      0.638375      4.544879
  C      -1.653107     -0.346138      5.146548
  C      -2.656666     -1.009504      4.530128
  C      -3.141463     -0.879067      3.147504
  N      -2.854566      0.225392      2.451816
  C      -3.357225      0.331755      1.199080
  N      -4.164575     -0.504823      0.577786
  C      -4.466905     -1.652465      1.253969
  C      -5.312453     -2.603133      0.630976
  C      -5.594374     -3.795336      1.259127
  C      -5.033980     -4.087583      2.524212
  C      -4.220576     -3.174117      3.160849
  C      -3.934980     -1.922961      2.555977
  C      -3.507467      0.541751      7.965044
  C      -4.687797      1.195557      8.618813
  C      -5.976304      1.198946      8.215567
  C      -6.558144      0.618331      6.999254
  N      -5.747061      0.216721      6.017294
  C      -6.304519     -0.248932      4.877550
  N      -7.588332     -0.369801      4.601331
  C      -8.449195      0.015004      5.589023
  C      -9.841634     -0.127897      5.369731
  C     -10.738164      0.209446      6.358455
  C     -10.282437      0.701271      7.603422
  C      -8.933818      0.858630      7.843114
  C      -7.983282      0.519867      6.846744
  H      -4.211637      5.916516      7.354410
  H      -4.376255      4.637075      8.579494
  H      -4.282540      3.069197      6.223893
  H      -6.598864      5.047261      6.337544
  H      -5.085727      1.953640      2.239493
  H      -9.655381      1.981804      1.913179
  H     -11.511361      2.836046      3.353087
  H     -11.003571      3.951829      5.516579
  H      -8.672462      4.252890      6.257289
  H       0.324458      0.210662      4.585639
  H      -0.958306      0.778677      3.485128
  H      -1.465978     -0.598863      6.193540
  H      -3.184786     -1.751125      5.130761
  H      -3.059696      1.229382      0.645858
  H      -5.712030     -2.361246     -0.354048
  H      -6.242022     -4.527872      0.775910
  H      -5.245587     -5.046981      2.997351
  H      -3.786025     -3.437333      4.123514
  H      -3.152170     -0.260132      8.639843
  H      -3.804732      0.077201      7.022435
  H      -4.463820      1.722992      9.552591
  H      -6.681323      1.717828      8.865154
  H      -5.589824     -0.544453      4.099924
  H     -10.166846     -0.515258      4.404028
  H     -11.809167      0.094866      6.186083
  H     -11.005550      0.957508      8.378407
  H      -8.605854      1.227334      8.814048
  N      -2.372962      4.245963      4.438166
  H      -2.366005      5.239537      4.680945
  H      -3.264423      4.063005      3.954640
  H      -1.631665      4.088015      3.750086
93
Coordinates from ORCA-job orca E -6201.098216496574
  N      -2.655401      4.467399      7.384304
  Mo     -2.167558      2.822440      6.344741
  N      -2.379043      1.474346      7.790053
  C      -1.271438      1.335746      8.720938
  C      -0.583591      2.674023      8.888665
  N      -0.335866      3.279713      7.547816
  C      -0.278338      4.765656      7.627171
  C      -1.661004      5.347496      7.935815
  C       0.870948      2.707966      6.884951
  C       0.563981      2.593347      5.394687
  N      -0.707258      1.910121      5.262227
  H      -1.717856      6.364275      7.497153
  H      -1.804077      5.483787      9.028558
  H       0.082914      5.122935      6.652989
  H       0.462129      5.057852      8.389984
  H       1.374774      2.070671      4.861805
  H       0.523053      3.613777      4.964818
  H       1.045564      1.709172      7.303467
  H       1.747495      3.340744      7.097236
  H      -1.620184      0.994494      9.711326
  H      -0.554430      0.566103      8.362635
  H      -1.235914      3.358824      9.442955
  H       0.370094      2.581271      9.433820
  C      -4.052496      4.817806      7.558093
  C      -4.801070      3.991526      6.560746
  C      -5.985484      4.196201      5.967969
  C      -6.394533      3.434117      4.783899
  N      -5.407577      3.002125      3.989793
  C      -5.767815      2.380502      2.839910
  N      -6.984030      2.174775      2.385660
  C      -8.009138      2.587745      3.186193
  C      -9.342674      2.389439      2.756162
  C     -10.389603      2.802157      3.550368
  C     -10.149083      3.418808      4.800141
  C      -8.860580      3.632411      5.240194
  C      -7.764788      3.237749      4.437099
  C      -0.704009      0.640639      4.537737
  C      -1.684094     -0.331417      5.120226
  C      -2.696480     -0.974837      4.497535
  C      -3.164730     -0.847706      3.113004
  N      -2.841515      0.241859      2.407454
  C      -3.317487      0.341842      1.146167
  N      -4.134268     -0.481717      0.523851
  C      -4.483642     -1.609446      1.210752
  C      -5.347873     -2.541200      0.587083
  C      -5.676013     -3.715613      1.226474
  C      -5.144150     -4.006530      2.502633
  C      -4.312824     -3.109593      3.139745
  C      -3.979985     -1.876816      2.524098
  C      -3.484287      0.540813      7.993288
  C      -4.653988      1.205437      8.656082
  C      -5.944182      1.232128      8.258630
  C      -6.542383      0.667356      7.045624
  N      -5.745135      0.267912      6.049652
  C      -6.318813     -0.196161      4.918443
  N      -7.604894     -0.313050      4.659920
  C      -8.453165      0.071261      5.658844
  C      -9.847527     -0.066071      5.454744
  C     -10.731839      0.271469      6.454657
  C     -10.260158      0.759142      7.693710
  C      -8.907915      0.911505      7.917769
  C      -7.970455      0.573679      6.910120
  H      -4.240780      5.893053      7.365228
  H      -4.397519      4.619037      8.597388
  H      -4.313876      3.036600      6.250107
  H      -6.631209      5.006230      6.317099
  H      -4.941685      2.032854      2.217041
  H      -9.503389      1.899933      1.795965
  H     -11.417656      2.646242      3.221890
  H     -10.993145      3.722293      5.419477
  H      -8.687388      4.095298      6.211640
  H       0.310879      0.198948      4.588180
  H      -0.947228      0.796520      3.474952
  H      -1.515903     -0.585340      6.169837
  H      -3.247071     -1.698793      5.099514
  H      -2.987676      1.224026      0.586311
  H      -5.724161     -2.300472     -0.407019
  H      -6.338381     -4.434592      0.743466
  H      -5.392083     -4.952311      2.985033
  H      -3.901344     -3.373704      4.112051
  H      -3.136315     -0.276398      8.653972
  H      -3.790261      0.094067      7.044590
  H      -4.417817      1.721519      9.592850
  H      -6.638497      1.753209      8.917802
  H      -5.616602     -0.497536      4.132689
  H     -10.185057     -0.450181      4.492478
  H     -11.804862      0.159958      6.295097
  H     -10.973305      1.014359      8.477836
  H      -8.566624      1.275721      8.885699
  N      -2.456146      4.179047      4.436572
  H      -2.475940      5.177896      4.652101
  H      -3.362408      3.938169      4.004158
  H      -1.733256      4.019656      3.730601
93
Coordinates from ORCA-job orca E -6201.102715517108
  N      -2.662118      4.462380      7.373308
  Mo     -2.137369      2.803304      6.377274
  N      -2.356857      1.479759      7.830525
  C      -1.258234      1.348088      8.772245
  C      -0.578194      2.693623      8.920487
  N      -0.336032      3.277483      7.566371
  C      -0.286647      4.766300      7.621097
  C      -1.670597      5.348119      7.922838
  C       0.879042      2.704554      6.913393
  C       0.583982      2.573463      5.422691
  N      -0.687412      1.887154      5.289195
  H      -1.724148      6.362482      7.477929
  H      -1.814158      5.493166      9.014760
  H       0.072837      5.109458      6.641116
  H       0.453073      5.074508      8.378617
  H       1.402034      2.046655      4.904770
  H       0.545694      3.587341      4.976249
  H       1.054862      1.711817      7.345583
  H       1.750376      3.344435      7.126672
  H      -1.610770      1.017856      9.765217
  H      -0.537293      0.576068      8.427357
  H      -1.237369      3.383518      9.460041
  H       0.375871      2.620241      9.467829
  C      -4.058723      4.817290      7.532022
  C      -4.803062      3.982352      6.540848
  C      -5.979954      4.187695      5.928445
  C      -6.383214      3.418745      4.748407
  N      -5.399196      2.984684      3.947538
  C      -5.763205      2.351233      2.805728
  N      -6.981109      2.134361      2.361036
  C      -8.004180      2.550176      3.164232
  C      -9.339275      2.338076      2.748617
  C     -10.382103      2.751713      3.549881
  C     -10.134192      3.380731      4.791489
  C      -8.842809      3.605856      5.217861
  C      -7.752470      3.210530      4.408013
  C      -0.680207      0.627761      4.550223
  C      -1.683572     -0.331735      5.111632
  C      -2.702544     -0.953741      4.479312
  C      -3.156872     -0.816024      3.095287
  N      -2.809143      0.270206      2.394716
  C      -3.273243      0.381636      1.130914
  N      -4.100103     -0.425279      0.500232
  C      -4.482024     -1.544830      1.183271
  C      -5.365624     -2.453722      0.554013
  C      -5.730066     -3.618445      1.193353
  C      -5.216918     -3.920056      2.474463
  C      -4.366281     -3.044207      3.116659
  C      -3.994512     -1.823480      2.501025
  C      -3.469301      0.550773      8.016733
  C      -4.641114      1.229365      8.664302
  C      -5.928705      1.263002      8.256481
  C      -6.529262      0.680261      7.054674
  N      -5.735946      0.260873      6.062591
  C      -6.314884     -0.237642      4.948492
  N      -7.601185     -0.369146      4.700367
  C      -8.446665      0.038613      5.692109
  C      -9.840626     -0.109694      5.497195
  C     -10.722791      0.253887      6.491048
  C     -10.247349      0.780144      7.712210
  C      -8.893759      0.942516      7.926617
  C      -7.958818      0.579802      6.925706
  H      -4.244538      5.890398      7.325003
  H      -4.409735      4.632326      8.572214
  H      -4.329529      3.015292      6.249371
  H      -6.629045      5.005164      6.253711
  H      -4.936438      2.006662      2.179638
  H      -9.505632      1.838175      1.794767
  H     -11.412282      2.585834      3.232885
  H     -10.974440      3.682689      5.416759
  H      -8.660829      4.076517      6.184157
  H       0.327318      0.171700      4.619118
  H      -0.897148      0.794222      3.482776
  H      -1.534474     -0.587609      6.163973
  H      -3.273747     -1.665233      5.077364
  H      -2.928578      1.263062      0.579466
  H      -5.728170     -2.203923     -0.443012
  H      -6.408207     -4.320205      0.706764
  H      -5.494969     -4.857203      2.957544
  H      -3.971028     -3.314926      4.094369
  H      -3.134914     -0.272502      8.677247
  H      -3.771314      0.108210      7.063339
  H      -4.406706      1.752138      9.597831
  H      -6.622800      1.796766      8.906168
  H      -5.619645     -0.559679      4.167252
  H     -10.180374     -0.522904      4.547936
  H     -11.796100      0.133265      6.339697
  H     -10.957960      1.054750      8.492248
  H      -8.549308      1.334421      8.882767
  N      -2.504421      4.082818      4.420182
  H      -2.550373      5.087758      4.597109
  H      -3.421915      3.782051      4.042687
  H      -1.796666      3.911627      3.702558
93
Coordinates from ORCA-job orca E -6201.109320649577
  N      -2.670582      4.453671      7.350736
  Mo     -2.105271      2.778794      6.400228
  N      -2.333466      1.479651      7.866203
  C      -1.242509      1.357346      8.825148
  C      -0.569708      2.711518      8.956601
  N      -0.329897      3.275211      7.587077
  C      -0.290758      4.770354      7.617857
  C      -1.682052      5.349363      7.903062
  C       0.898819      2.700685      6.946864
  C       0.619853      2.549064      5.453339
  N      -0.656005      1.857844      5.315680
  H      -1.732388      6.360470      7.450116
  H      -1.833101      5.504117      8.993114
  H       0.071227      5.100127      6.633783
  H       0.443755      5.096064      8.373483
  H       1.446477      2.016328      4.954758
  H       0.586278      3.555357      4.987938
  H       1.075008      1.714491      7.394371
  H       1.764244      3.348390      7.162582
  H      -1.601646      1.038299      9.819492
  H      -0.515915      0.583627      8.495649
  H      -1.238165      3.405222      9.480171
  H       0.383325      2.658212      9.508100
  C      -4.071393      4.814568      7.490553
  C      -4.814771      3.969718      6.504476
  C      -5.984040      4.176908      5.875763
  C      -6.391809      3.402987      4.700433
  N      -5.420507      2.962192      3.886163
  C      -5.801346      2.322396      2.750656
  N      -7.028287      2.104093      2.323802
  C      -8.038912      2.528008      3.139782
  C      -9.381604      2.313151      2.749565
  C     -10.410396      2.732043      3.568602
  C     -10.140100      3.368033      4.803395
  C      -8.840468      3.594643      5.205222
  C      -7.764474      3.193484      4.376730
  C      -0.640296      0.603806      4.567538
  C      -1.662612     -0.344831      5.110877
  C      -2.687756     -0.946585      4.470556
  C      -3.134745     -0.790375      3.088444
  N      -2.772305      0.298432      2.399543
  C      -3.232841      0.426829      1.134308
  N      -4.068318     -0.366238      0.492314
  C      -4.469769     -1.484206      1.167195
  C      -5.368642     -2.375090      0.532445
  C      -5.755457     -3.536417      1.168255
  C      -5.250796     -3.851560      2.451168
  C      -4.384730     -2.992891      3.098364
  C      -3.988995     -1.777758      2.486071
  C      -3.453073      0.550045      8.040245
  C      -4.627972      1.237102      8.677558
  C      -5.913502      1.278331      8.260797
  C      -6.516207      0.690998      7.062143
  N      -5.726116      0.268247      6.069368
  C      -6.310198     -0.244954      4.962078
  N      -7.598398     -0.385720      4.719789
  C      -8.441014      0.028925      5.710953
  C      -9.835599     -0.123872      5.522015
  C     -10.715588      0.249891      6.516023
  C     -10.235630      0.792047      7.729694
  C      -8.880185      0.958584      7.937888
  C      -7.947330      0.586543      6.937228
  H      -4.253326      5.885509      7.269229
  H      -4.429848      4.644029      8.530985
  H      -4.354817      2.989784      6.233583
  H      -6.631466      5.004825      6.179318
  H      -4.981349      1.975831      2.113891
  H      -9.565652      1.807063      1.801531
  H     -11.446703      2.564056      3.271014
  H     -10.969115      3.672499      5.443329
  H      -8.638188      4.068647      6.166458
  H       0.360539      0.135180      4.655859
  H      -0.831413      0.777196      3.496091
  H      -1.528522     -0.602301      6.165914
  H      -3.274435     -1.650501      5.063636
  H      -2.882845      1.313726      0.595908
  H      -5.725561     -2.114498     -0.464562
  H      -6.446136     -4.224144      0.677841
  H      -5.547936     -4.784805      2.931762
  H      -3.996585     -3.270211      4.078423
  H      -3.127220     -0.277387      8.699816
  H      -3.751693      0.108967      7.082350
  H      -4.395271      1.762178      9.610926
  H      -6.607288      1.819197      8.906070
  H      -5.621362     -0.573698      4.179974
  H     -10.178048     -0.548424      4.578076
  H     -11.789872      0.125207      6.370097
  H     -10.943760      1.074083      8.510369
  H      -8.532790      1.361299      8.889116
  N      -2.550880      3.973184      4.392112
  H      -2.625163      4.982654      4.527024
  H      -3.475560      3.614015      4.072508
  H      -1.857471      3.788839      3.664190
93
Coordinates from ORCA-job orca E -6201.112682852722
  N      -2.675179      4.441874      7.296078
  Mo     -2.077669      2.741180      6.414680
  N      -2.317518      1.484204      7.908005
  C      -1.239857      1.386822      8.883907
  C      -0.576400      2.748656      8.987503
  N      -0.331850      3.275833      7.604269
  C      -0.300337      4.772082      7.594496
  C      -1.697772      5.349111      7.850655
  C       0.909176      2.693070      6.994558
  C       0.655395      2.506987      5.501069
  N      -0.620029      1.814372      5.355910
  H      -1.745444      6.352775      7.382479
  H      -1.865220      5.517954      8.935847
  H       0.067441      5.077121      6.604667
  H       0.425096      5.122274      8.347377
  H       1.490007      1.959447      5.033478
  H       0.632738      3.500045      5.008796
  H       1.080810      1.717151      7.465806
  H       1.768303      3.348436      7.210611
  H      -1.611402      1.092036      9.880570
  H      -0.506567      0.609334      8.581765
  H      -1.256094      3.450197      9.485672
  H       0.372703      2.718958      9.546401
  C      -4.077786      4.806516      7.409482
  C      -4.815640      3.939908      6.438655
  C      -5.972876      4.145125      5.790680
  C      -6.382977      3.339265      4.638846
  N      -5.413427      2.869478      3.841869
  C      -5.793540      2.200002      2.722947
  N      -7.020723      1.970652      2.301318
  C      -8.030990      2.419570      3.104044
  C      -9.373847      2.188444      2.722993
  C     -10.402534      2.626389      3.531437
  C     -10.132859      3.299008      4.747118
  C      -8.833480      3.542553      5.139467
  C      -7.756441      3.121186      4.320769
  C      -0.608034      0.565251      4.603372
  C      -1.669908     -0.353971      5.120786
  C      -2.708144     -0.910581      4.461675
  C      -3.130627     -0.718405      3.076027
  N      -2.718680      0.366620      2.409406
  C      -3.158171      0.530492      1.140280
  N      -4.009325     -0.225206      0.472395
  C      -4.461980     -1.335872      1.125982
  C      -5.384724     -2.184495      0.467895
  C      -5.828346     -3.334820      1.086235
  C      -5.359807     -3.681822      2.374913
  C      -4.470158     -2.865492      3.044149
  C      -4.014548     -1.662551      2.448983
  C      -3.440741      0.560003      8.083706
  C      -4.609861      1.257043      8.720743
  C      -5.895685      1.302810      8.308587
  C      -6.505907      0.704541      7.120096
  N      -5.720537      0.280628      6.124777
  C      -6.310425     -0.249746      5.028673
  N      -7.600022     -0.408331      4.801215
  C      -8.437401      0.011703      5.795043
  C      -9.832558     -0.151023      5.619599
  C     -10.706643      0.235526      6.613935
  C     -10.219798      0.800831      7.814422
  C      -8.863816      0.975794      8.009940
  C      -7.936785      0.591296      7.008395
  H      -4.255431      5.872258      7.163279
  H      -4.446181      4.659605      8.449625
  H      -4.360636      2.950486      6.203963
  H      -6.611671      4.993057      6.055944
  H      -4.973756      1.833655      2.098002
  H      -9.558053      1.653626      1.790842
  H     -11.438407      2.444830      3.240453
  H     -10.961862      3.617597      5.380237
  H      -8.631002      4.042964      6.086887
  H       0.376253      0.068798      4.720699
  H      -0.761852      0.746364      3.527509
  H      -1.562498     -0.618990      6.177144
  H      -3.329631     -1.596445      5.039955
  H      -2.773902      1.415368      0.622440
  H      -5.715499     -1.900132     -0.531594
  H      -6.538472     -3.988872      0.577948
  H      -5.704338     -4.605337      2.842370
  H      -4.111904     -3.162444      4.029739
  H      -3.120103     -0.267138      8.745439
  H      -3.739984      0.116909      7.126308
  H      -4.369449      1.789942      9.647574
  H      -6.583754      1.853671      8.951456
  H      -5.627302     -0.578160      4.240490
  H     -10.180015     -0.591675      4.684810
  H     -11.781361      0.103883      6.478012
  H     -10.922748      1.093313      8.595902
  H      -8.511680      1.396051      8.951664
  N      -2.565620      3.823569      4.355596
  H      -2.659703      4.836479      4.439956
  H      -3.490250      3.432115      4.069397
  H      -1.878166      3.614130      3.629693
93
Coordinates from ORCA-job orca E -6201.116254579875
  N      -2.672577      4.422467      7.231690
  Mo     -2.047351      2.703867      6.408358
  N      -2.305821      1.479060      7.920768
  C      -1.244870      1.402463      8.920049
  C      -0.588165      2.770760      9.010202
  N      -0.330423      3.272723      7.619663
  C      -0.303812      4.770569      7.580951
  C      -1.710702      5.340985      7.800868
  C       0.925610      2.687339      7.041040
  C       0.702866      2.477357      5.544881
  N      -0.572947      1.783597      5.385035
  H      -1.757365      6.339430      7.323312
  H      -1.904089      5.513990      8.880667
  H       0.074249      5.058933      6.589843
  H       0.407173      5.140380      8.337527
  H       1.545138      1.914668      5.110715
  H       0.693452      3.459438      5.032466
  H       1.090828      1.716444      7.525434
  H       1.778664      3.347296      7.264974
  H      -1.635336      1.125973      9.913854
  H      -0.503725      0.624547      8.642660
  H      -1.282879      3.473805      9.485914
  H       0.353406      2.759057      9.581169
  C      -4.078363      4.792054      7.319767
  C      -4.818404      3.913005      6.359493
  C      -5.969452      4.134678      5.712861
  C      -6.424638      3.321246      4.583199
  N      -5.486739      2.812670      3.779718
  C      -5.903831      2.144423      2.671247
  N      -7.146234      1.944145      2.273447
  C      -8.126988      2.428554      3.090909
  C      -9.483798      2.225962      2.739214
  C     -10.485534      2.697514      3.561035
  C     -10.176443      3.379470      4.763670
  C      -8.864072      3.597103      5.127246
  C      -7.811260      3.138095      4.293715
  C      -0.560495      0.535399      4.634616
  C      -1.639331     -0.369213      5.144988
  C      -2.682624     -0.908525      4.480074
  C      -3.098197     -0.690578      3.093379
  N      -2.687491      0.410690      2.454129
  C      -3.126896      0.601275      1.186724
  N      -3.966954     -0.148787      0.493425
  C      -4.414176     -1.275784      1.121239
  C      -5.328003     -2.119225      0.442855
  C      -5.771583     -3.280238      1.040600
  C      -5.314115     -3.645990      2.329532
  C      -4.432535     -2.837360      3.018109
  C      -3.975767     -1.623501      2.442787
  C      -3.429510      0.552797      8.093702
  C      -4.599110      1.249650      8.731093
  C      -5.884781      1.300378      8.322409
  C      -6.501061      0.708591      7.133361
  N      -5.719891      0.306495      6.127497
  C      -6.315699     -0.220011      5.031981
  N      -7.607395     -0.399199      4.818379
  C      -8.438854      0.003071      5.825148
  C      -9.834644     -0.173562      5.664721
  C     -10.701415      0.202003      6.669583
  C     -10.206497      0.769423      7.867196
  C      -8.850704      0.955948      8.049238
  C      -7.930425      0.582868      7.035962
  H      -4.248385      5.855426      7.060575
  H      -4.455047      4.658695      8.358393
  H      -4.362971      2.921613      6.156024
  H      -6.580027      5.008961      5.961501
  H      -5.107130      1.753940      2.032094
  H      -9.699599      1.684387      1.817274
  H     -11.530629      2.535984      3.290712
  H     -10.984907      3.725783      5.409409
  H      -8.631784      4.103703      6.064609
  H       0.412335      0.022168      4.776566
  H      -0.687378      0.714873      3.555864
  H      -1.536600     -0.635489      6.201938
  H      -3.312190     -1.594783      5.048903
  H      -2.763401      1.510320      0.698134
  H      -5.653959     -1.820668     -0.554392
  H      -6.475810     -3.928414      0.516218
  H      -5.661240     -4.576629      2.781122
  H      -4.081908     -3.140740      4.004805
  H      -3.113060     -0.275056      8.755984
  H      -3.721690      0.109652      7.133474
  H      -4.355286      1.782267      9.657443
  H      -6.569372      1.850171      8.970304
  H      -5.639412     -0.525809      4.227166
  H     -10.187463     -0.614033      4.731227
  H     -11.776465      0.060780      6.544062
  H     -10.902874      1.054301      8.657764
  H      -8.493910      1.377285      8.988826
  N      -2.566478      3.674802      4.322746
  H      -2.678050      4.689061      4.361326
  H      -3.490206      3.269433      4.045455
  H      -1.880916      3.445040      3.601379
93
Coordinates from ORCA-job orca E -6201.119687691858
  N      -2.673037      4.395605      7.168199
  Mo     -2.020426      2.659493      6.408714
  N      -2.290109      1.471745      7.945457
  C      -1.243949      1.423482      8.960375
  C      -0.597927      2.796926      9.027678
  N      -0.331030      3.268691      7.630221
  C      -0.314840      4.764428      7.556179
  C      -1.727806      5.326686      7.742708
  C       0.935678      2.681387      7.080225
  C       0.740931      2.444877      5.585242
  N      -0.530710      1.750716      5.416236
  H      -1.774757      6.318312      7.251848
  H      -1.942743      5.509326      8.816890
  H       0.071554      5.031633      6.562374
  H       0.383686      5.157690      8.312337
  H       1.588779      1.867961      5.180872
  H       0.743671      3.415544      5.052896
  H       1.097315      1.718138      7.580924
  H       1.781936      3.348491      7.307783
  H      -1.649760      1.168744      9.953862
  H      -0.495266      0.644504      8.709693
  H      -1.304931      3.503188      9.480254
  H       0.338305      2.806555      9.607100
  C      -4.080553      4.766361      7.234746
  C      -4.824006      3.871153      6.291881
  C      -5.970196      4.099619      5.642989
  C      -6.444942      3.264484      4.535622
  N      -5.514867      2.723708      3.746436
  C      -5.940083      2.036790      2.652500
  N      -7.184797      1.843193      2.261108
  C      -8.157852      2.357117      3.069234
  C      -9.517760      2.158459      2.724803
  C     -10.513784      2.656630      3.536054
  C     -10.196953      3.364237      4.721852
  C      -8.882477      3.579778      5.077570
  C      -7.835050      3.091996      4.254539
  C      -0.527435      0.505546      4.665279
  C      -1.634747     -0.372917      5.163856
  C      -2.689987     -0.877329      4.489937
  C      -3.091840     -0.625817      3.102656
  N      -2.663085      0.485624      2.492758
  C      -3.090729      0.708589      1.226803
  N      -3.925114     -0.021381      0.506135
  C      -4.390540     -1.156245      1.105210
  C      -5.304442     -1.977146      0.399620
  C      -5.771947     -3.140581      0.971350
  C      -5.340886     -3.533514      2.261296
  C      -4.458986     -2.749231      2.975457
  C      -3.976012     -1.532850      2.425619
  C      -3.413346      0.549580      8.125273
  C      -4.577171      1.253204      8.764290
  C      -5.863730      1.313450      8.362441
  C      -6.488678      0.722141      7.176756
  N      -5.712440      0.324081      6.165178
  C      -6.314744     -0.204094      5.074862
  N      -7.607346     -0.389687      4.872997
  C      -8.432386      0.012309      5.885621
  C      -9.829292     -0.165552      5.735267
  C     -10.688988      0.213838      6.743469
  C     -10.186598      0.785722      7.935931
  C      -8.830509      0.972484      8.108814
  C      -7.917155      0.595600      7.090679
  H      -4.245056      5.825826      6.957538
  H      -4.462025      4.651366      8.273869
  H      -4.368528      2.877265      6.120679
  H      -6.560107      4.995101      5.866628
  H      -5.150484      1.625180      2.018275
  H      -9.739924      1.597379      1.816193
  H     -11.560321      2.496881      3.270501
  H     -11.001053      3.732314      5.360825
  H      -8.644767      4.106431      6.002743
  H       0.430231     -0.029804      4.829252
  H      -0.627831      0.685392      3.584076
  H      -1.541652     -0.647709      6.219095
  H      -3.339359     -1.554957      5.046434
  H      -2.725299      1.630432      0.765314
  H      -5.613047     -1.658181     -0.596724
  H      -6.477090     -3.770044      0.425960
  H      -5.709241     -4.465421      2.692694
  H      -4.128609     -3.068949      3.963681
  H      -3.098807     -0.277134      8.790758
  H      -3.704160      0.104603      7.166592
  H      -4.324846      1.788631      9.686661
  H      -6.540531      1.870830      9.011970
  H      -5.644460     -0.504560      4.262374
  H     -10.187848     -0.608859      4.805355
  H     -11.764730      0.072738      6.624829
  H     -10.877571      1.074641      8.729572
  H      -8.468660      1.398121      9.044335
  N      -2.591316      3.505241      4.300110
  H      -2.720396      4.518890      4.290900
  H      -3.512152      3.091491      4.031171
  H      -1.911865      3.251105      3.580573
93
Coordinates from ORCA-job orca E -6201.123150053184
  N      -2.674671      4.374636      7.123886
  Mo     -2.005368      2.628474      6.405636
  N      -2.281821      1.460110      7.954627
  C      -1.246320      1.428702      8.979238
  C      -0.607350      2.804509      9.035779
  N      -0.333977      3.261179      7.636793
  C      -0.325476      4.753882      7.543085
  C      -1.740976      5.309602      7.707682
  C       0.938645      2.675692      7.103612
  C       0.765738      2.428450      5.608700
  N      -0.503037      1.738722      5.430130
  H      -1.786693      6.299792      7.213816
  H      -1.971818      5.492691      8.778816
  H       0.067153      5.008967      6.548579
  H       0.364278      5.161093      8.300067
  H       1.615648      1.840255      5.224329
  H       0.781233      3.392988      5.066294
  H       1.096897      1.715248      7.610641
  H       1.780494      3.346089      7.337968
  H      -1.663569      1.185131      9.971093
  H      -0.492602      0.649486      8.744894
  H      -1.321925      3.511392      9.475240
  H       0.325146      2.825995      9.621276
  C      -4.080915      4.750193      7.183374
  C      -4.837800      3.853315      6.254103
  C      -5.985526      4.100117      5.614042
  C      -6.485802      3.262639      4.518139
  N      -5.567797      2.706634      3.723654
  C      -6.010852      2.026491      2.633941
  N      -7.259500      1.849220      2.253795
  C      -8.219204      2.374559      3.070078
  C      -9.584062      2.190342      2.737525
  C     -10.567897      2.700019      3.555768
  C     -10.233338      3.406353      4.736653
  C      -8.913875      3.608745      5.080250
  C      -7.880151      3.108075      4.250920
  C      -0.507957      0.498146      4.673996
  C      -1.626337     -0.368758      5.170838
  C      -2.684949     -0.862142      4.493878
  C      -3.076859     -0.601153      3.105130
  N      -2.659639      0.524984      2.511996
  C      -3.077880      0.752877      1.244963
  N      -3.881494      0.010741      0.504740
  C      -4.335126     -1.138033      1.086364
  C      -5.222174     -1.969602      0.359802
  C      -5.683509     -3.141132      0.917663
  C      -5.273637     -3.532277      2.214336
  C      -4.416977     -2.739065      2.947585
  C      -3.939767     -1.514843      2.410803
  C      -3.403373      0.540289      8.135962
  C      -4.560842      1.247948      8.780088
  C      -5.848211      1.320182      8.383692
  C      -6.479026      0.732562      7.198581
  N      -5.705694      0.334321      6.183491
  C      -6.312208     -0.192340      5.096082
  N      -7.604294     -0.377646      4.900582
  C      -8.425653      0.026615      5.915254
  C      -9.823334     -0.147392      5.767879
  C     -10.679468      0.237033      6.775951
  C     -10.173489      0.809312      7.966120
  C      -8.816979      0.991594      8.136373
  C      -7.907325      0.609772      7.117315
  H      -4.237498      5.809258      6.900176
  H      -4.459772      4.644739      8.224794
  H      -4.386616      2.856977      6.099443
  H      -6.551393      5.012407      5.831487
  H      -5.233265      1.611539      1.988307
  H      -9.819616      1.630646      1.831775
  H     -11.618014      2.551111      3.299259
  H     -11.027618      3.784676      5.381370
  H      -8.662753      4.135351      6.002117
  H       0.443057     -0.045532      4.849383
  H      -0.595844      0.675613      3.590947
  H      -1.531950     -0.649216      6.223834
  H      -3.339007     -1.540881      5.043268
  H      -2.737348      1.692047      0.799824
  H      -5.517612     -1.651007     -0.640359
  H      -6.369005     -3.778240      0.356798
  H      -5.638870     -4.469883      2.635293
  H      -4.103078     -3.054595      3.942279
  H      -3.088827     -0.290178      8.797939
  H      -3.695962      0.100759      7.176176
  H      -4.300600      1.780794      9.701659
  H      -6.518022      1.883658      9.034836
  H      -5.645303     -0.492372      4.281133
  H     -10.184828     -0.590833      4.839569
  H     -11.755683      0.100024      6.659252
  H     -10.862188      1.102892      8.759594
  H      -8.452400      1.418650      9.069956
  N      -2.640786      3.365509      4.294022
  H      -2.781079      4.377649      4.250190
  H      -3.561303      2.954281      4.027586
  H      -1.971927      3.090093      3.571399
93
Coordinates from ORCA-job orca E -6201.126421465336
  N      -2.668314      4.354119      7.068183
  Mo     -1.980191      2.595217      6.400133
  N      -2.270756      1.449634      7.964493
  C      -1.250446      1.441187      9.005444
  C      -0.619780      2.820821      9.051642
  N      -0.328435      3.258984      7.651175
  C      -0.328402      4.748661      7.531340
  C      -1.748500      5.297318      7.662049
  C       0.954208      2.673094      7.144258
  C       0.811388      2.411606      5.647715
  N      -0.455232      1.725457      5.453613
  H      -1.790001      6.284048      7.160490
  H      -2.001918      5.486707      8.727496
  H       0.077835      4.987805      6.538135
  H       0.347072      5.174538      8.291393
  H       1.665323      1.813396      5.287380
  H       0.842895      3.369841      5.094698
  H       1.106391      1.717236      7.661881
  H       1.790532      3.347581      7.388109
  H      -1.684155      1.210889      9.993732
  H      -0.489249      0.661461      8.795998
  H      -1.344508      3.529985      9.470519
  H       0.303772      2.855547      9.651369
  C      -4.074661      4.733163      7.114663
  C      -4.841427      3.827632      6.201940
  C      -5.991654      4.084536      5.566960
  C      -6.517047      3.231742      4.491752
  N      -5.614879      2.643856      3.697811
  C      -6.080529      1.957482      2.621930
  N      -7.335226      1.797681      2.256145
  C      -8.277700      2.350402      3.074789
  C      -9.648996      2.182480      2.760718
  C     -10.615855      2.718640      3.583456
  C     -10.256541      3.436998      4.749472
  C      -8.929913      3.624855      5.074172
  C      -7.915281      3.095921      4.241492
  C      -0.468337      0.489059      4.689867
  C      -1.603613     -0.364308      5.175047
  C      -2.671548     -0.834554      4.495024
  C      -3.068825     -0.548969      3.113412
  N      -2.667813      0.595297      2.542606
  C      -3.093832      0.843157      1.282239
  N      -3.882033      0.101525      0.527067
  C      -4.319581     -1.065252      1.085565
  C      -5.192728     -1.895627      0.340978
  C      -5.642628     -3.081318      0.877976
  C      -5.234279     -3.487423      2.170436
  C      -4.389470     -2.696362      2.919603
  C      -3.923451     -1.458946      2.404053
  C      -3.393663      0.532562      8.146730
  C      -4.547799      1.250284      8.784911
  C      -5.835184      1.328656      8.387451
  C      -6.469316      0.726060      7.210370
  N      -5.698707      0.303384      6.202054
  C      -6.309482     -0.240047      5.125116
  N      -7.601788     -0.419978      4.933620
  C      -8.420344      0.010668      5.939172
  C      -9.819659     -0.152209      5.791764
  C     -10.673807      0.261246      6.789898
  C     -10.164583      0.851253      7.970051
  C      -8.806317      1.023290      8.139757
  C      -7.898850      0.612606      7.130019
  H      -4.223995      5.789941      6.818666
  H      -4.453590      4.643764      8.158041
  H      -4.392470      2.829402      6.068854
  H      -6.536113      5.012266      5.771781
  H      -5.315849      1.520771      1.973385
  H      -9.903398      1.613597      1.865861
  H     -11.671177      2.582344      3.341819
  H     -11.037252      3.837329      5.397401
  H      -8.659588      4.161961      5.984741
  H       0.473915     -0.066436      4.876024
  H      -0.540372      0.669558      3.605773
  H      -1.509898     -0.660704      6.223532
  H      -3.330683     -1.514620      5.036788
  H      -2.773830      1.797882      0.855138
  H      -5.488702     -1.564325     -0.654918
  H      -6.318285     -3.717726      0.304486
  H      -5.591453     -4.435386      2.574833
  H      -4.076764     -3.023966      3.910772
  H      -3.081274     -0.297310      8.811225
  H      -3.686560      0.092700      7.187444
  H      -4.284057      1.790215      9.701611
  H      -6.500516      1.907170      9.029758
  H      -5.644437     -0.560273      4.317231
  H     -10.183836     -0.609757      4.871486
  H     -11.751256      0.133775      6.673505
  H     -10.852482      1.167958      8.755280
  H      -8.438999      1.466082      9.064976
  N      -2.671038      3.211258      4.287907
  H      -2.817444      4.221348      4.208149
  H      -3.591384      2.803882      4.015568
  H      -2.007789      2.910438      3.568738
93
Coordinates from ORCA-job orca E -6201.129568227620
  N      -2.670228      4.347201      7.045058
  Mo     -1.970890      2.582191      6.401789
  N      -2.265911      1.438092      7.966387
  C      -1.253433      1.437390      9.015594
  C      -0.628189      2.819374      9.064316
  N      -0.327461      3.256483      7.665608
  C      -0.334279      4.744400      7.537837
  C      -1.756340      5.287659      7.654488
  C       0.960518      2.675020      7.167902
  C       0.836578      2.416794      5.668156
  N      -0.430370      1.737132      5.458348
  H      -1.793657      6.277977      7.159683
  H      -2.022284      5.470689      8.718196
  H       0.079230      4.979382      6.546497
  H       0.333571      5.178674      8.300189
  H       1.691678      1.813406      5.319317
  H       0.882346      3.374175      5.114521
  H       1.109455      1.718498      7.685216
  H       1.793282      3.350127      7.423024
  H      -1.695732      1.207108     10.000192
  H      -0.487732      0.659013      8.816803
  H      -1.357310      3.528021      9.476315
  H       0.290035      2.857331      9.672482
  C      -4.075210      4.731130      7.094473
  C      -4.856991      3.829291      6.192072
  C      -6.009849      4.101148      5.562554
  C      -6.554411      3.249795      4.494021
  N      -5.670401      2.648469      3.685727
  C      -6.161633      1.977045      2.611942
  N      -7.422863      1.838191      2.260438
  C      -8.346732      2.397906      3.095215
  C      -9.724363      2.247812      2.803411
  C     -10.671086      2.789836      3.647446
  C     -10.283656      3.496649      4.811002
  C      -8.949116      3.667961      5.113677
  C      -7.956236      3.131647      4.260943
  C      -0.446475      0.509190      4.677311
  C      -1.581308     -0.348495      5.155783
  C      -2.647342     -0.822273      4.475051
  C      -3.047662     -0.547196      3.094629
  N      -2.675350      0.605333      2.520970
  C      -3.106436      0.839902      1.259702
  N      -3.867158      0.072758      0.503498
  C      -4.273750     -1.105614      1.062477
  C      -5.117432     -1.962061      0.314032
  C      -5.541041     -3.156972      0.853995
  C      -5.133340     -3.543824      2.152466
  C      -4.315135     -2.726800      2.904318
  C      -3.876751     -1.481395      2.385943
  C      -3.389051      0.519221      8.139996
  C      -4.540274      1.236469      8.783933
  C      -5.826941      1.324993      8.383741
  C      -6.461727      0.725388      7.205681
  N      -5.693787      0.291984      6.199677
  C      -6.307884     -0.252159      5.124010
  N      -7.600533     -0.421112      4.930880
  C      -8.417446      0.022353      5.931762
  C      -9.818053     -0.123738      5.778686
  C     -10.671413      0.306544      6.771144
  C     -10.159905      0.896094      7.950358
  C      -8.799616      1.052144      8.124853
  C      -7.893289      0.624889      7.121105
  H      -4.218988      5.788614      6.798001
  H      -4.447378      4.647443      8.140934
  H      -4.417403      2.827911      6.062961
  H      -6.536228      5.038872      5.765704
  H      -5.409954      1.532846      1.951685
  H     -10.000624      1.687679      1.909561
  H     -11.732137      2.667682      3.424389
  H     -11.048786      3.901812      5.474288
  H      -8.656155      4.196391      6.022036
  H       0.496516     -0.044698      4.862575
  H      -0.514984      0.696302      3.593404
  H      -1.484481     -0.654446      6.201347
  H      -3.301447     -1.506608      5.017627
  H      -2.819765      1.805937      0.833111
  H      -5.414021     -1.643262     -0.685717
  H      -6.194929     -3.814429      0.279168
  H      -5.469982     -4.498201      2.559337
  H      -4.003961     -3.042955      3.899829
  H      -3.074242     -0.318914      8.792578
  H      -3.687214      0.092063      7.175929
  H      -4.274889      1.771064      9.703285
  H      -6.489414      1.908747      9.023764
  H      -5.642468     -0.582069      4.320449
  H     -10.184447     -0.580908      4.859214
  H     -11.749995      0.193030      6.651080
  H     -10.847940      1.225872      8.730032
  H      -8.429716      1.496263      9.048365
  N      -2.733502      3.105765      4.302507
  H      -2.878266      4.115112      4.204478
  H      -3.659213      2.703072      4.038721
  H      -2.083616      2.783085      3.579706
93
Coordinates from ORCA-job orca E -6201.132518043720
  N      -2.668851      4.344920      7.023207
  Mo     -1.959007      2.573100      6.405955
  N      -2.256859      1.429606      7.968955
  C      -1.253648      1.436795      9.028030
  C      -0.633604      2.821596      9.080753
  N      -0.322475      3.257865      7.684039
  C      -0.335395      4.744821      7.548838
  C      -1.760508      5.282596      7.649856
  C       0.971252      2.680450      7.195757
  C       0.865582      2.428408      5.692101
  N      -0.402819      1.755626      5.462291
  H      -1.793319      6.276105      7.161679
  H      -2.040632      5.459017      8.710881
  H       0.086017      4.976619      6.559970
  H       0.323507      5.188318      8.313783
  H       1.721809      1.820734      5.353899
  H       0.925939      3.385921      5.140699
  H       1.116811      1.722158      7.710817
  H       1.800764      3.355059      7.462678
  H      -1.704845      1.205787     10.008355
  H      -0.483228      0.660816      8.840118
  H      -1.367581      3.529341      9.485772
  H       0.278160      2.861834      9.698539
  C      -4.074098      4.733537      7.075924
  C      -4.869852      3.831426      6.186644
  C      -6.022373      4.109927      5.558706
  C      -6.579369      3.248517      4.504919
  N      -5.707373      2.617928      3.706220
  C      -6.209843      1.944572      2.638840
  N      -7.473186      1.827578      2.284290
  C      -8.387958      2.410953      3.113175
  C      -9.767936      2.280239      2.825277
  C     -10.704147      2.844117      3.667594
  C     -10.303752      3.554856      4.824198
  C      -8.965760      3.709043      5.122456
  C      -7.982935      3.148843      4.272129
  C      -0.420123      0.540327      4.657657
  C      -1.551715     -0.326913      5.127087
  C      -2.618896     -0.802808      4.449185
  C      -3.031735     -0.536198      3.072299
  N      -2.677551      0.618011      2.492544
  C      -3.127775      0.849869      1.236826
  N      -3.886007      0.072779      0.488453
  C      -4.269794     -1.112092      1.050430
  C      -5.106824     -1.979313      0.307609
  C      -5.512591     -3.179228      0.851758
  C      -5.092019     -3.558300      2.148386
  C      -4.278314     -2.730521      2.894433
  C      -3.857189     -1.481216      2.371928
  C      -3.380665      0.508976      8.134083
  C      -4.531443      1.223902      8.781501
  C      -5.816302      1.315584      8.376088
  C      -6.449307      0.710501      7.200687
  N      -5.681801      0.256452      6.204236
  C      -6.296333     -0.298196      5.133180
  N      -7.589634     -0.458355      4.936577
  C      -8.407167      0.007985      5.926830
  C      -9.808388     -0.123052      5.767306
  C     -10.662356      0.333219      6.748335
  C     -10.150477      0.933428      7.921910
  C      -8.789086      1.075211      8.102144
  C      -7.882219      0.622402      7.110127
  H      -4.213623      5.790478      6.775742
  H      -4.439347      4.658740      8.125449
  H      -4.440043      2.827233      6.062389
  H      -6.534416      5.058086      5.748249
  H      -5.463117      1.479793      1.985897
  H     -10.055366      1.716957      1.936865
  H     -11.767675      2.736712      3.448494
  H     -11.061680      3.977422      5.485061
  H      -8.662021      4.241359      6.024724
  H       0.524098     -0.013049      4.836169
  H      -0.486794      0.742094      3.575855
  H      -1.449514     -0.645453      6.168707
  H      -3.267653     -1.488040      4.997457
  H      -2.861246      1.821420      0.809932
  H      -5.413883     -1.664672     -0.690306
  H      -6.161990     -3.845706      0.282260
  H      -5.414979     -4.515935      2.558824
  H      -3.958225     -3.045300      3.887522
  H      -3.064312     -0.336686      8.775609
  H      -3.682225      0.094369      7.165552
  H      -4.267822      1.757116      9.702089
  H      -6.479004      1.904561      9.010846
  H      -5.628631     -0.646426      4.338560
  H     -10.175480     -0.588754      4.852362
  H     -11.741675      0.232155      6.623527
  H     -10.839471      1.283247      8.692032
  H      -8.418476      1.528802      9.020712
  N      -2.786578      3.007076      4.321998
  H      -2.921769      4.016171      4.207720
  H      -3.718699      2.611324      4.070515
  H      -2.149563      2.661137      3.597439
93
Coordinates from ORCA-job orca E -6201.135330223340
  N      -2.670607      4.344610      7.009915
  Mo     -1.951929      2.568259      6.411171
  N      -2.247941      1.419580      7.966919
  C      -1.252652      1.430551      9.034319
  C      -0.637899      2.818491      9.095854
  N      -0.319593      3.259542      7.702720
  C      -0.338937      4.746439      7.566494
  C      -1.767320      5.277461      7.656191
  C       0.978809      2.688985      7.218893
  C       0.887302      2.449785      5.711319
  N      -0.382109      1.782959      5.459256
  H      -1.797499      6.275573      7.178096
  H      -2.060337      5.442677      8.715133
  H       0.088344      4.979976      6.580549
  H       0.311292      5.197007      8.334658
  H       1.744652      1.840403      5.379619
  H       0.959286      3.409763      5.166619
  H       1.123112      1.726655      7.726797
  H       1.805424      3.362243      7.497658
  H      -1.710426      1.194406     10.010169
  H      -0.477544      0.658651      8.851995
  H      -1.376501      3.522861      9.498568
  H       0.268272      2.858286      9.721738
  C      -4.077003      4.737305      7.070594
  C      -4.887507      3.837410      6.193080
  C      -6.038215      4.120866      5.564809
  C      -6.606638      3.254049      4.522293
  N      -5.747030      2.599437      3.732418
  C      -6.256315      1.928883      2.666415
  N      -7.520045      1.835687      2.304276
  C      -8.427488      2.438909      3.127503
  C      -9.808514      2.329646      2.837018
  C     -10.736935      2.910502      3.676134
  C     -10.328276      3.618785      4.831342
  C      -8.988557      3.753894      5.131592
  C      -8.011863      3.174345      4.284764
  C      -0.393512      0.583866      4.626966
  C      -1.512259     -0.304098      5.088244
  C      -2.577336     -0.792746      4.416089
  C      -3.009322     -0.541019      3.042697
  N      -2.677880      0.612182      2.449838
  C      -3.153196      0.835250      1.200962
  N      -3.912565      0.044204      0.467674
  C      -4.266911     -1.145197      1.039553
  C      -5.098419     -2.029081      0.310913
  C      -5.478369     -3.233097      0.865592
  C      -5.036037     -3.598523      2.158818
  C      -4.225975     -2.754446      2.891271
  C      -3.830334     -1.501775      2.357840
  C      -3.369622      0.493278      8.122453
  C      -4.521334      1.196967      8.780981
  C      -5.805172      1.290925      8.373704
  C      -6.439161      0.695183      7.195142
  N      -5.674422      0.235765      6.200193
  C      -6.291401     -0.310996      5.126052
  N      -7.586098     -0.457660      4.925166
  C      -8.401820      0.016205      5.913988
  C      -9.803638     -0.095226      5.748274
  C     -10.655640      0.371845      6.726356
  C     -10.140574      0.962882      7.903069
  C      -8.778289      1.086012      8.089010
  C      -7.873097      0.622601      7.100259
  H      -4.213686      5.794197      6.769515
  H      -4.433246      4.668616      8.123363
  H      -4.468758      2.830162      6.068947
  H      -6.539402      5.077315      5.741550
  H      -5.513621      1.445121      2.022630
  H     -10.103849      1.768237      1.949947
  H     -11.801695      2.818905      3.455419
  H     -11.081381      4.055218      5.488858
  H      -8.677698      4.285030      6.031962
  H       0.556460      0.036688      4.792433
  H      -0.462947      0.805124      3.549344
  H      -1.400700     -0.632956      6.126029
  H      -3.212507     -1.483968      4.973190
  H      -2.906001      1.809055      0.768612
  H      -5.422492     -1.723499     -0.684419
  H      -6.123757     -3.912721      0.307174
  H      -5.338676     -4.558970      2.578183
  H      -3.889374     -3.062732      3.880974
  H      -3.048545     -0.362223      8.747827
  H      -3.674647      0.095050      7.148082
  H      -4.259947      1.721878      9.706806
  H      -6.468056      1.875935      9.011803
  H      -5.624011     -0.664231      4.332593
  H     -10.173477     -0.553950      4.830792
  H     -11.735722      0.286461      6.596486
  H     -10.828155      1.321086      8.670659
  H      -8.405501      1.533858      9.009416
  N      -2.839404      2.923043      4.346504
  H      -2.960165      3.932527      4.221765
  H      -3.779765      2.534781      4.114245
  H      -2.216101      2.556493      3.618509
93
Coordinates from ORCA-job orca E -6201.137931201677
  N      -2.669295      4.340957      6.985810
  Mo     -1.942222      2.558061      6.413996
  N      -2.237715      1.411758      7.966971
  C      -1.252235      1.431124      9.043684
  C      -0.642955      2.821927      9.107724
  N      -0.317207      3.261152      7.717015
  C      -0.342124      4.746984      7.574482
  C      -1.773240      5.271647      7.648854
  C       0.985195      2.695120      7.240785
  C       0.907952      2.463991      5.730988
  N      -0.361277      1.802707      5.458368
  H      -1.801058      6.272126      7.176107
  H      -2.080760      5.429406      8.704579
  H       0.091624      4.978628      6.590961
  H       0.298604      5.206678      8.345183
  H       1.766087      1.851352      5.407507
  H       0.990775      3.425157      5.190678
  H       1.127536      1.730223      7.744451
  H       1.809272      3.367547      7.528841
  H      -1.717759      1.194870     10.015715
  H      -0.472372      0.662483      8.870265
  H      -1.387122      3.523937      9.504506
  H       0.257506      2.864546      9.741642
  C      -4.076634      4.738497      7.051300
  C      -4.902462      3.838123      6.189614
  C      -6.051366      4.124729      5.560499
  C      -6.633708      3.249473      4.533131
  N      -5.785066      2.566803      3.757679
  C      -6.298394      1.892071      2.696749
  N      -7.560818      1.819955      2.326704
  C      -8.461798      2.448476      3.138878
  C      -9.842870      2.359364      2.841698
  C     -10.765905      2.963595      3.669322
  C     -10.352125      3.677410      4.819206
  C      -9.012118      3.794466      5.124957
  C      -8.039871      3.189691      4.289915
  C      -0.367960      0.619475      4.602701
  C      -1.474438     -0.286308      5.059743
  C      -2.540367     -0.782934      4.394919
  C      -2.990624     -0.534726      3.026749
  N      -2.673568      0.620340      2.430113
  C      -3.171755      0.845191      1.190404
  N      -3.938473      0.051396      0.467718
  C      -4.272475     -1.143255      1.040649
  C      -5.105676     -2.032718      0.321004
  C      -5.467351     -3.241512      0.877044
  C      -5.004731     -3.606521      2.162962
  C      -4.192052     -2.757551      2.886804
  C      -3.813965     -1.500339      2.351429
  C      -3.355306      0.479426      8.117622
  C      -4.508626      1.171944      8.784884
  C      -5.792322      1.263587      8.377892
  C      -6.427392      0.671654      7.198441
  N      -5.663271      0.200435      6.208697
  C      -6.280713     -0.342114      5.133294
  N      -7.576086     -0.474076      4.926179
  C      -8.391315      0.012830      5.909555
  C      -9.793193     -0.079817      5.735431
  C     -10.644763      0.401134      6.706809
  C     -10.128955      0.987208      7.885519
  C      -8.766704      1.092506      8.079495
  C      -7.861435      0.615079      7.097493
  H      -4.209422      5.794079      6.744412
  H      -4.423928      4.680243      8.107479
  H      -4.494622      2.826986      6.071096
  H      -6.542035      5.089793      5.720776
  H      -5.559976      1.386847      2.064924
  H     -10.143070      1.793817      1.958911
  H     -11.830759      2.886673      3.443384
  H     -11.101661      4.133070      5.467709
  H      -8.696901      4.330820      6.020804
  H       0.586882      0.076317      4.752115
  H      -0.443368      0.860415      3.529779
  H      -1.351886     -0.623214      6.093844
  H      -3.163576     -1.480339      4.958041
  H      -2.938071      1.822289      0.759429
  H      -5.445683     -1.726925     -0.668903
  H      -6.113965     -3.925173      0.325032
  H      -5.293086     -4.570569      2.584092
  H      -3.839161     -3.067109      3.870242
  H      -3.029258     -0.382072      8.732138
  H      -3.661333      0.091905      7.139494
  H      -4.248836      1.693182      9.713117
  H      -6.455639      1.845710      9.018203
  H      -5.613751     -0.706443      4.344239
  H     -10.163561     -0.535218      4.816481
  H     -11.724995      0.330562      6.569805
  H     -10.816114      1.356449      8.648206
  H      -8.394295      1.537825      9.001228
  N      -2.878095      2.828403      4.368397
  H      -2.981704      3.837274      4.224185
  H      -3.827118      2.450898      4.156955
  H      -2.269971      2.435848      3.639262
93
Coordinates from ORCA-job orca E -6201.140354064314
  N      -2.668396      4.346807      6.979597
  Mo     -1.939328      2.560298      6.417660
  N      -2.230668      1.404527      7.960201
  C      -1.251369      1.424843      9.043612
  C      -0.644433      2.816410      9.116979
  N      -0.314280      3.264235      7.731146
  C      -0.343579      4.749959      7.594586
  C      -1.776299      5.268971      7.663077
  C       0.988579      2.704596      7.252341
  C       0.918836      2.492693      5.739593
  N      -0.351036      1.839531      5.446806
  H      -1.802838      6.275657      7.203739
  H      -2.094061      5.411082      8.717863
  H       0.093814      4.987236      6.614076
  H       0.290645      5.211862      8.369466
  H       1.775874      1.878586      5.415952
  H       1.010808      3.459047      5.210231
  H       1.129833      1.733444      7.744280
  H       1.812599      3.372883      7.550591
  H      -1.721682      1.182856     10.011878
  H      -0.468428      0.659126      8.871682
  H      -1.391457      3.514650      9.515250
  H       0.252306      2.855345      9.756679
  C      -4.075744      4.750535      7.058988
  C      -4.921123      3.856374      6.211206
  C      -6.068970      4.148344      5.582364
  C      -6.663459      3.266975      4.566860
  N      -5.824150      2.553251      3.810066
  C      -6.339092      1.873854      2.753357
  N      -7.598206      1.825649      2.370558
  C      -8.493701      2.483566      3.166467
  C      -9.873251      2.418134      2.855868
  C     -10.792690      3.049991      3.666292
  C     -10.376549      3.769943      4.811437
  C      -9.037672      3.865048      5.129010
  C      -8.068907      3.230911      4.312053
  C      -0.350058      0.674862      4.563364
  C      -1.432309     -0.262673      5.016459
  C      -2.494033     -0.782036      4.361220
  C      -2.969142     -0.548758      2.998463
  N      -2.678345      0.606311      2.388248
  C      -3.209335      0.822384      1.160747
  N      -3.984098      0.017125      0.460441
  C      -4.285202     -1.181428      1.043256
  C      -5.119933     -2.086048      0.344427
  C      -5.450347     -3.298796      0.910709
  C      -4.954624     -3.653109      2.186977
  C      -4.139760     -2.789615      2.890898
  C      -3.792141     -1.528678      2.343976
  C      -3.342229      0.463162      8.103752
  C      -4.498792      1.139037      8.781506
  C      -5.782480      1.224375      8.373337
  C      -6.414702      0.633837      7.191680
  N      -5.647621      0.143629      6.212956
  C      -6.261163     -0.397913      5.135774
  N      -7.556026     -0.511167      4.915506
  C      -8.374057     -0.004083      5.886323
  C      -9.774979     -0.073669      5.695288
  C     -10.630095      0.428085      6.652546
  C     -10.118745      1.011785      7.834358
  C      -8.757615      1.095203      8.044593
  C      -7.848163      0.596985      7.076801
  H      -4.204341      5.806726      6.752515
  H      -4.409620      4.697088      8.119606
  H      -4.528109      2.841349      6.089994
  H      -6.550374      5.120387      5.729406
  H      -5.604772      1.341345      2.138908
  H     -10.175685      1.847948      1.976855
  H     -11.856430      2.990844      3.429958
  H     -11.123482      4.248469      5.446317
  H      -8.720347      4.407048      6.020845
  H       0.615123      0.144273      4.688742
  H      -0.439391      0.939018      3.497168
  H      -1.292939     -0.605279      6.046684
  H      -3.095311     -1.491484      4.933160
  H      -2.995294      1.800543      0.722270
  H      -5.485864     -1.787891     -0.638558
  H      -6.097755     -3.993766      0.373946
  H      -5.218404     -4.620183      2.617150
  H      -3.760646     -3.091968      3.866689
  H      -3.008576     -0.405364      8.704383
  H      -3.649462      0.088679      7.121046
  H      -4.242821      1.656400      9.712891
  H      -6.448907      1.801925      9.014623
  H      -5.592068     -0.779958      4.357001
  H     -10.141658     -0.528033      4.774351
  H     -11.709497      0.375628      6.501753
  H     -10.808544      1.397432      8.586445
  H      -8.389916      1.540520      8.968251
  N      -2.925747      2.768650      4.396994
  H      -3.009051      3.778302      4.243604
  H      -3.884968      2.407220      4.210681
  H      -2.339472      2.355823      3.658096
93
Coordinates from ORCA-job orca E -6201.142696511025
  N      -2.673743      4.338851      6.957838
  Mo     -1.933677      2.549295      6.418002
  N      -2.218368      1.391438      7.955826
  C      -1.246953      1.421447      9.046785
  C      -0.649862      2.817643      9.121864
  N      -0.317503      3.267105      7.738205
  C      -0.355899      4.751798      7.599340
  C      -1.791758      5.260068      7.657784
  C       0.988570      2.715856      7.262088
  C       0.928598      2.515517      5.747925
  N      -0.338733      1.863796      5.438684
  H      -1.821167      6.270059      7.206246
  H      -2.121530      5.390403      8.710346
  H       0.084561      4.990748      6.620630
  H       0.270043      5.220793      8.376715
  H       1.786947      1.901263      5.428049
  H       1.025780      3.484778      5.224952
  H       1.131075      1.741169      7.746917
  H       1.809579      3.384301      7.568659
  H      -1.722325      1.177305     10.011861
  H      -0.457704      0.661213      8.880232
  H      -1.404002      3.510164      9.517019
  H       0.243283      2.862268      9.766276
  C      -4.081958      4.743873      7.045290
  C      -4.942988      3.850454      6.214363
  C      -6.090990      4.145774      5.587541
  C      -6.704360      3.260867      4.585586
  N      -5.880587      2.517311      3.840894
  C      -6.406615      1.841255      2.787355
  N      -7.664191      1.823688      2.397722
  C      -8.545852      2.511450      3.183706
  C      -9.924920      2.479914      2.863836
  C     -10.833269      3.142957      3.661529
  C     -10.405615      3.862799      4.802759
  C      -9.066740      3.925533      5.128238
  C      -8.109495      3.258068      4.324938
  C      -0.328215      0.714754      4.535447
  C      -1.382047     -0.252915      4.993049
  C      -2.441560     -0.791610      4.350315
  C      -2.942767     -0.555870      2.997134
  N      -2.679898      0.608934      2.391732
  C      -3.239178      0.828511      1.177448
  N      -4.015930      0.017599      0.485718
  C      -4.284119     -1.191901      1.061746
  C      -5.115598     -2.105920      0.370517
  C      -5.412135     -3.329812      0.930919
  C      -4.885492     -3.687709      2.193970
  C      -4.073409     -2.815841      2.890299
  C      -3.760030     -1.543457      2.348601
  C      -3.320266      0.437227      8.092706
  C      -4.480151      1.096003      8.781102
  C      -5.765327      1.178754      8.376543
  C      -6.400161      0.597408      7.191316
  N      -5.634830      0.091949      6.218321
  C      -6.250291     -0.438809      5.137834
  N      -7.545591     -0.526485      4.907095
  C      -8.360626     -0.001884      5.870592
  C      -9.761163     -0.040883      5.666252
  C     -10.614005      0.479749      6.614939
  C     -10.100854      1.051257      7.802315
  C      -8.740512      1.104923      8.025609
  C      -7.832592      0.587594      7.066081
  H      -4.209406      5.798978      6.734978
  H      -4.403583      4.697355      8.109972
  H      -4.560020      2.831931      6.098115
  H      -6.561568      5.125130      5.721897
  H      -5.684216      1.284185      2.181181
  H     -10.236023      1.910305      1.987394
  H     -11.896415      3.109558      3.417427
  H     -11.143466      4.367754      5.427819
  H      -8.740750      4.468310      6.016632
  H       0.647934      0.199293      4.636451
  H      -0.437030      0.995991      3.475734
  H      -1.219457     -0.598816      6.018931
  H      -3.018025     -1.518754      4.925358
  H      -3.047198      1.813370      0.743809
  H      -5.505845     -1.805480     -0.602465
  H      -6.056613     -4.031406      0.399120
  H      -5.122678     -4.663570      2.619804
  H      -3.668417     -3.118202      3.855735
  H      -2.977906     -0.436114      8.681538
  H      -3.625944      0.072244      7.105588
  H      -4.224930      1.608215      9.715556
  H      -6.431248      1.750686      9.023429
  H      -5.584387     -0.835432      4.363762
  H     -10.128526     -0.486650      4.741298
  H     -11.692747      0.451629      6.453043
  H     -10.788593      1.452152      8.548354
  H      -8.373074      1.542952      8.952916
  N      -2.960555      2.682435      4.420385
  H      -3.031251      3.689307      4.241468
  H      -3.929443      2.333048      4.263162
  H      -2.397906      2.244518      3.675200
93
Coordinates from ORCA-job orca E -6201.144990414065
  N      -2.682100      4.338285      6.951921
  Mo     -1.935275      2.547892      6.420346
  N      -2.206755      1.378361      7.948731
  C      -1.239091      1.413590      9.043626
  C      -0.651250      2.813896      9.124416
  N      -0.321347      3.272709      7.743914
  C      -0.368690      4.756956      7.611087
  C      -1.806777      5.254676      7.668373
  C       0.985440      2.731606      7.261981
  C       0.928237      2.551089      5.745546
  N      -0.337516      1.901677      5.422393
  H      -1.840799      6.270410      7.230273
  H      -2.143169      5.368183      8.720801
  H       0.071639      5.002506      6.633995
  H       0.252420      5.228016      8.391250
  H       1.786939      1.939569      5.421406
  H       1.027819      3.526325      5.234075
  H       1.130772      1.751108      7.734298
  H       1.805119      3.398174      7.576890
  H      -1.715660      1.162863     10.006354
  H      -0.444440      0.659196      8.876524
  H      -1.410029      3.499505      9.522821
  H       0.240809      2.860442      9.770423
  C      -4.089780      4.744584      7.056016
  C      -4.969314      3.855821      6.242187
  C      -6.119220      4.156862      5.620681
  C      -6.749654      3.271237      4.629857
  N      -5.940996      2.492722      3.903494
  C      -6.477714      1.819113      2.853861
  N      -7.731193      1.836587      2.451353
  C      -8.598746      2.560539      3.220090
  C      -9.974531      2.569327      2.884041
  C     -10.870796      3.271202      3.662351
  C     -10.432938      3.991209      4.799630
  C      -9.096361      4.014670      5.140091
  C      -8.152033      3.307144      4.357068
  C      -0.317318      0.770227      4.496096
  C      -1.330485     -0.237814      4.959250
  C      -2.382716     -0.807761      4.331607
  C      -2.916623     -0.578484      2.990230
  N      -2.692847      0.594870      2.384984
  C      -3.289793      0.811255      1.188333
  N      -4.070134     -0.010551      0.514401
  C      -4.295050     -1.230193      1.087527
  C      -5.124497     -2.158557      0.412595
  C      -5.376690     -3.393064      0.971192
  C      -4.807387     -3.748240      2.216544
  C      -3.996966     -2.862596      2.896886
  C      -3.727661     -1.579647      2.355927
  C      -3.297050      0.409111      8.075951
  C      -4.462134      1.048724      8.772855
  C      -5.748017      1.125206      8.368258
  C      -6.378205      0.544626      7.180175
  N      -5.609183      0.007608      6.226260
  C      -6.218849     -0.524180      5.144074
  N      -7.511912     -0.583656      4.892181
  C      -8.329431     -0.024853      5.833328
  C      -9.726812     -0.029501      5.602627
  C     -10.583006      0.526763      6.527440
  C     -10.076872      1.099073      7.717733
  C      -8.720148      1.119282      7.966774
  C      -7.807963      0.566315      7.031156
  H      -4.217198      5.799882      6.746279
  H      -4.394695      4.700967      8.125822
  H      -4.598973      2.833221      6.125151
  H      -6.578299      5.142690      5.746412
  H      -5.768308      1.231324      2.261443
  H     -10.292997      1.999570      2.010318
  H     -11.931390      3.269229      3.405332
  H     -11.160763      4.528424      5.409374
  H      -8.763144      4.558538      6.025143
  H       0.673809      0.278927      4.565077
  H      -0.455566      1.069142      3.444957
  H      -1.138308     -0.584789      5.979772
  H      -2.924521     -1.557028      4.911535
  H      -3.127927      1.802022      0.755325
  H      -5.548336     -1.860446     -0.546998
  H      -6.019076     -4.105450      0.451300
  H      -5.010140     -4.732361      2.641113
  H      -3.557699     -3.159993      3.848763
  H      -2.944252     -0.468904      8.651651
  H      -3.600554      0.054561      7.083996
  H      -4.210460      1.558422      9.709626
  H      -6.416798      1.693412      9.015284
  H      -5.551204     -0.950073      4.387419
  H     -10.088018     -0.477204      4.676184
  H     -11.658737      0.526141      6.344532
  H     -10.767201      1.528114      8.445505
  H      -8.359632      1.560439      8.895303
  N      -3.006653      2.619578      4.449391
  H      -3.068177      3.623476      4.248586
  H      -3.984556      2.282553      4.325664
  H      -2.473898      2.161311      3.691386
93
Coordinates from ORCA-job orca E -6201.147343035601
  N      -2.693426      4.339236      6.952474
  Mo     -1.940095      2.549702      6.422639
  N      -2.194170      1.363784      7.939876
  C      -1.228697      1.403977      9.036986
  C      -0.652174      2.808999      9.124003
  N      -0.327750      3.280241      7.746501
  C      -0.384170      4.764226      7.623147
  C      -1.824072      5.250321      7.684050
  C       0.979115      2.750914      7.255061
  C       0.921128      2.593206      5.736420
  N      -0.342659      1.944490      5.402386
  H      -1.865081      6.272493      7.261715
  H      -2.163707      5.344687      8.737402
  H       0.054066      5.018268      6.647361
  H       0.234240      5.234730      8.405974
  H       1.780470      1.986964      5.404194
  H       1.020091      3.575574      5.238355
  H       1.128675      1.764024      7.712624
  H       1.797527      3.415497      7.578216
  H      -1.704375      1.144749      9.997911
  H      -0.427984      0.656727      8.867002
  H      -1.415420      3.486353      9.527899
  H       0.240331      2.858096      9.769454
  C      -4.099547      4.745114      7.076560
  C      -4.997686      3.861957      6.280213
  C      -6.151540      4.170751      5.668593
  C      -6.803776      3.286572      4.691424
  N      -6.016184      2.466614      3.985854
  C      -6.571291      1.794660      2.944877
  N      -7.820343      1.852533      2.531224
  C      -8.666407      2.621173      3.279402
  C     -10.037344      2.679020      2.928095
  C     -10.913439      3.429314      3.684632
  C     -10.458482      4.149649      4.814914
  C      -9.125378      4.125020      5.169736
  C      -8.202036      3.368809      4.408699
  C      -0.313065      0.830504      4.453758
  C      -1.274177     -0.223765      4.925776
  C      -2.316934     -0.830942      4.317455
  C      -2.893267     -0.607201      2.993471
  N      -2.723947      0.578674      2.394710
  C      -3.365426      0.789883      1.220416
  N      -4.143484     -0.047678      0.564241
  C      -4.311616     -1.280447      1.128820
  C      -5.134034     -2.227403      0.470854
  C      -5.327634     -3.475561      1.022552
  C      -4.705968     -3.826583      2.244061
  C      -3.901967     -2.922846      2.907518
  C      -3.691488     -1.626175      2.372668
  C      -3.270764      0.377062      8.052647
  C      -4.444431      0.996216      8.752718
  C      -5.730128      1.064358      8.344163
  C      -6.350810      0.476808      7.154517
  N      -5.576900     -0.108600      6.232467
  C      -6.176920     -0.650094      5.150686
  N      -7.464874     -0.674784      4.867788
  C      -8.285508     -0.064244      5.772330
  C      -9.676127     -0.026353      5.503651
  C     -10.535993      0.583930      6.389933
  C     -10.041206      1.167926      7.579586
  C      -8.691842      1.146787      7.865637
  C      -7.774964      0.539102      6.969129
  H      -4.228847      5.801116      6.769770
  H      -4.385833      4.701692      8.151755
  H      -4.640137      2.835226      6.160865
  H      -6.596339      5.163348      5.789778
  H      -5.881968      1.168902      2.367684
  H     -10.368316      2.108107      2.059768
  H     -11.970346      3.465930      3.415502
  H     -11.169822      4.726489      5.407656
  H      -8.780376      4.670554      6.049141
  H       0.694905      0.371070      4.485342
  H      -0.490359      1.144140      3.413236
  H      -1.043674     -0.570464      5.938541
  H      -2.812557     -1.608550      4.900873
  H      -3.245790      1.788802      0.791533
  H      -5.599277     -1.932879     -0.470498
  H      -5.964112     -4.202308      0.515417
  H      -4.863509     -4.821353      2.662889
  H      -3.421282     -3.212859      3.841547
  H      -2.907233     -0.504482      8.616109
  H      -3.568094      0.031694      7.055034
  H      -4.199299      1.506954      9.690657
  H      -6.403599      1.632953      8.985590
  H      -5.506785     -1.118843      4.422462
  H     -10.027762     -0.484712      4.578776
  H     -11.605658      0.617427      6.177211
  H     -10.734604      1.639912      8.277220
  H      -8.341370      1.600104      8.792094
  N      -3.053532      2.566638      4.477701
  H      -3.113953      3.565723      4.250790
  H      -4.038561      2.239329      4.391884
  H      -2.555245      2.091032      3.703439
93
Coordinates from ORCA-job orca E -6201.149720868662
  N      -2.706208      4.343553      6.960929
  Mo     -1.948365      2.555482      6.427230
  N      -2.181127      1.350562      7.933100
  C      -1.215547      1.395703      9.029991
  C      -0.650573      2.805191      9.121994
  N      -0.334816      3.290032      7.746483
  C      -0.399020      4.773975      7.634497
  C      -1.840022      5.249046      7.704069
  C       0.970916      2.772445      7.241793
  C       0.907394      2.638329      5.721311
  N      -0.355032      1.989506      5.380962
  H      -1.889415      6.277606      7.298314
  H      -2.178473      5.324226      8.759462
  H       0.034928      5.036806      6.659217
  H       0.219812      5.241795      8.418774
  H       1.766944      2.038885      5.377599
  H       1.003460      3.628038      5.237074
  H       1.125650      1.779262      7.683745
  H       1.788756      3.434808      7.571648
  H      -1.687762      1.127343      9.990210
  H      -0.408828      0.656119      8.855203
  H      -1.416920      3.474476      9.533182
  H       0.244238      2.857024      9.764251
  C      -4.109497      4.748158      7.108337
  C      -5.026710      3.870467      6.331113
  C      -6.186783      4.188483      5.734371
  C      -6.864495      3.306151      4.774813
  N      -6.103635      2.440716      4.091706
  C      -6.684249      1.768691      3.065058
  N      -7.928489      1.869530      2.642447
  C      -8.746027      2.688954      3.366700
  C     -10.110305      2.800060      3.002631
  C     -10.958424      3.603908      3.736543
  C     -10.480284      4.325154      4.856425
  C      -9.152141      4.248274      5.223452
  C      -8.257134      3.438610      4.484864
  C      -0.318337      0.891633      4.411678
  C      -1.220772     -0.209227      4.893617
  C      -2.252054     -0.856051      4.307094
  C      -2.877314     -0.639357      3.005207
  N      -2.772677      0.559051      2.417086
  C      -3.464890      0.762417      1.270373
  N      -4.238303     -0.093669      0.633844
  C      -4.340880     -1.339355      1.185993
  C      -5.154754     -2.306807      0.547424
  C      -5.281353     -3.568177      1.088938
  C      -4.599963     -3.912042      2.280497
  C      -3.803529     -2.988105      2.924483
  C      -3.660432     -1.678192      2.399296
  C      -3.243417      0.346074      8.027404
  C      -4.429617      0.946224      8.721378
  C      -5.712383      1.003570      8.299953
  C      -6.313709      0.397853      7.109689
  N      -5.532245     -0.252903      6.238104
  C      -6.115157     -0.816159      5.158708
  N      -7.392706     -0.803703      4.830465
  C      -8.218425     -0.124465      5.678518
  C      -9.595806     -0.039972      5.355022
  C     -10.460543      0.642191      6.182160
  C      -9.985089      1.252876      7.366327
  C      -8.649568      1.186779      7.705602
  C      -7.726997      0.505759      6.869733
  H      -4.242336      5.805062      6.805762
  H      -4.375331      4.703761      8.189097
  H      -4.682565      2.839667      6.208585
  H      -6.614190      5.188320      5.854102
  H      -6.021344      1.100267      2.504618
  H     -10.458654      2.226630      2.142800
  H     -12.010407      3.682632      3.457583
  H     -11.169173      4.945422      5.431509
  H      -8.791469      4.796455      6.094646
  H       0.705659      0.468697      4.403689
  H      -0.539973      1.215538      3.383358
  H      -0.947789     -0.553711      5.896657
  H      -2.694883     -1.662558      4.893189
  H      -3.397446      1.769922      0.849356
  H      -5.667360     -2.018144     -0.370807
  H      -5.910899     -4.311167      0.596982
  H      -4.706191     -4.917142      2.690633
  H      -3.276508     -3.268416      3.836343
  H      -2.870411     -0.537444      8.581202
  H      -3.530249      0.007175      7.023796
  H      -4.196484      1.463503      9.658780
  H      -6.394576      1.578677      8.925569
  H      -5.440573     -1.341366      4.475024
  H      -9.931682     -0.520351      4.435561
  H     -11.518873      0.713223      5.926726
  H     -10.682660      1.782400      8.016858
  H      -8.314686      1.664329      8.625493
  N      -3.104925      2.523128      4.508520
  H      -3.171271      3.515033      4.250361
  H      -4.095225      2.203953      4.466572
  H      -2.646824      2.030604      3.716533
93
Coordinates from ORCA-job orca E -6201.151439908895
  N      -2.712129      4.357881      6.970563
  Mo     -1.957462      2.567249      6.434579
  N      -2.171476      1.346522      7.932008
  C      -1.205584      1.395599      9.027723
  C      -0.646776      2.807371      9.121477
  N      -0.338504      3.301158      7.746258
  C      -0.403028      4.785315      7.642487
  C      -1.843367      5.256178      7.721242
  C       0.964210      2.787791      7.229599
  C       0.893358      2.673839      5.707535
  N      -0.370970      2.029534      5.363414
  H      -1.897198      6.289981      7.329685
  H      -2.178358      5.316938      8.778720
  H       0.027211      5.052592      6.666892
  H       0.219354      5.249068      8.426419
  H       1.750861      2.078092      5.352711
  H       0.989835      3.669217      5.235193
  H       1.119350      1.788967      7.658335
  H       1.784407      3.444723      7.564645
  H      -1.674967      1.121944      9.987984
  H      -0.395208      0.660723      8.850491
  H      -1.412854      3.473115      9.538600
  H       0.250890      2.859921      9.759750
  C      -4.111063      4.765215      7.140168
  C      -5.047974      3.892152      6.383844
  C      -6.213689      4.221900      5.803710
  C      -6.916233      3.336668      4.867744
  N      -6.182678      2.429615      4.206131
  C      -6.791114      1.748467      3.202464
  N      -8.034213      1.877629      2.780514
  C      -8.822718      2.743501      3.481513
  C     -10.182724      2.892098      3.116145
  C     -11.000709      3.744393      3.829427
  C     -10.495781      4.477266      4.929512
  C      -9.170536      4.363920      5.297791
  C      -8.304945      3.505535      4.579154
  C      -0.335397      0.944196      4.377303
  C      -1.184324     -0.194064      4.869894
  C      -2.206054     -0.874132      4.304897
  C      -2.879574     -0.665013      3.026610
  N      -2.833874      0.542068      2.450081
  C      -3.571527      0.738094      1.330423
  N      -4.340745     -0.133709      0.711457
  C      -4.385072     -1.388920      1.250261
  C      -5.192177     -2.372353      0.628640
  C      -5.259178     -3.644142      1.156963
  C      -4.522750     -3.981643      2.317176
  C      -3.731631     -3.041660      2.944187
  C      -3.649518     -1.720980      2.433172
  C      -3.221498      0.327205      8.004469
  C      -4.425178      0.910269      8.681622
  C      -5.701818      0.950405      8.237925
  C      -6.273103      0.314906      7.048987
  N      -5.482969     -0.410947      6.247081
  C      -6.041576     -1.009162      5.173376
  N      -7.303192     -0.967795      4.789542
  C      -8.135323     -0.210931      5.561911
  C      -9.491660     -0.085898      5.170066
  C     -10.359316      0.683308      5.913969
  C      -9.908753      1.342682      7.080921
  C      -8.594647      1.236363      7.487360
  C      -7.669072      0.466011      6.737576
  H      -4.245544      5.822687      6.839894
  H      -4.358118      4.722892      8.225811
  H      -4.719983      2.856963      6.262142
  H      -6.621745      5.229259      5.922655
  H      -6.154653      1.041078      2.659416
  H     -10.551994      2.308169      2.272346
  H     -12.049750      3.853175      3.549814
  H     -11.161352      5.136367      5.488489
  H      -8.791857      4.922761      6.154115
  H       0.700475      0.554978      4.329968
  H      -0.601521      1.273928      3.361783
  H      -0.872346     -0.536333      5.862436
  H      -2.599759     -1.703759      4.893390
  H      -3.550007      1.751595      0.918582
  H      -5.747708     -2.088848     -0.265748
  H      -5.883219     -4.400515      0.678845
  H      -4.583053     -4.995151      2.715611
  H      -3.162802     -3.316051      3.832478
  H      -2.842042     -0.556885      8.552315
  H      -3.492868     -0.008926      6.995247
  H      -4.211292      1.439804      9.616657
  H      -6.398798      1.533006      8.839187
  H      -5.360358     -1.596015      4.549404
  H      -9.807222     -0.603058      4.263621
  H     -11.400030      0.788390      5.604540
  H     -10.608640      1.942912      7.663810
  H      -8.278137      1.755392      8.390849
  N      -3.158080      2.486821      4.543987
  H      -3.229833      3.468169      4.247167
  H      -4.152454      2.179209      4.546229
  H      -2.740995      1.969460      3.741850
93
Coordinates from ORCA-job orca E -6201.153065418795
  N      -2.708320      4.373099      6.956140
  Mo     -1.959258      2.576176      6.429555
  N      -2.172813      1.345177      7.912735
  C      -1.215622      1.386078      9.016434
  C      -0.655978      2.798700      9.125112
  N      -0.341966      3.298717      7.756100
  C      -0.400332      4.783273      7.657001
  C      -1.840187      5.258706      7.726806
  C       0.959737      2.780493      7.242619
  C       0.897361      2.687904      5.718118
  N      -0.371326      2.060062      5.351714
  H      -1.886548      6.296658      7.346290
  H      -2.186573      5.308068      8.780857
  H       0.035422      5.053074      6.684617
  H       0.217525      5.244249      8.445907
  H       1.751579      2.087979      5.362555
  H       1.006196      3.688158      5.259871
  H       1.103210      1.774303      7.658257
  H       1.784549      3.424601      7.590566
  H      -1.693537      1.107662      9.970845
  H      -0.404973      0.651253      8.841601
  H      -1.423312      3.461856      9.544544
  H       0.237814      2.844154      9.769132
  C      -4.107140      4.792472      7.129540
  C      -5.057724      3.927751      6.380454
  C      -6.213765      4.267935      5.791732
  C      -6.917601      3.374795      4.863044
  N      -6.185765      2.447065      4.233169
  C      -6.779456      1.744487      3.235843
  N      -8.013963      1.872478      2.792102
  C      -8.805673      2.760033      3.463005
  C     -10.160427      2.904485      3.075285
  C     -10.986260      3.772029      3.758654
  C     -10.495687      4.526913      4.850954
  C      -9.176115      4.419610      5.239052
  C      -8.301485      3.544819      4.550146
  C      -0.337961      0.990450      4.348637
  C      -1.159648     -0.168120      4.842305
  C      -2.173549     -0.867246      4.285968
  C      -2.865008     -0.670518      3.013705
  N      -2.837003      0.536409      2.435453
  C      -3.580258      0.722976      1.317880
  N      -4.342711     -0.158612      0.703517
  C      -4.368003     -1.413326      1.244080
  C      -5.164425     -2.407505      0.625465
  C      -5.208344     -3.681600      1.149135
  C      -4.456812     -4.012850      2.301179
  C      -3.675518     -3.063288      2.926172
  C      -3.620135     -1.738303      2.421809
  C      -3.208955      0.310571      7.967037
  C      -4.416325      0.853921      8.672496
  C      -5.702002      0.880728      8.255089
  C      -6.296673      0.281125      7.059295
  N      -5.527094     -0.430559      6.226621
  C      -6.109916     -0.992770      5.146442
  N      -7.379827     -0.936622      4.790724
  C      -8.193029     -0.196538      5.600214
  C      -9.557472     -0.059654      5.244003
  C     -10.404562      0.696694      6.023598
  C      -9.923335      1.333648      7.190721
  C      -8.600907      1.213572      7.564099
  C      -7.696896      0.451880      6.779584
  H      -4.231358      5.850763      6.828590
  H      -4.350462      4.755155      8.215801
  H      -4.745977      2.887404      6.267284
  H      -6.615278      5.280175      5.895162
  H      -6.141448      1.015400      2.726488
  H     -10.520202      2.303400      2.239509
  H     -12.030898      3.876195      3.461273
  H     -11.167848      5.198658      5.386508
  H      -8.807769      4.994603      6.089404
  H       0.701937      0.616850      4.272127
  H      -0.627563      1.334161      3.344313
  H      -0.830609     -0.510895      5.829283
  H      -2.543593     -1.705958      4.877235
  H      -3.560113      1.733739      0.900389
  H      -5.729616     -2.129206     -0.264489
  H      -5.824003     -4.445396      0.671990
  H      -4.496048     -5.028972      2.695490
  H      -3.093979     -3.335895      3.806277
  H      -2.815054     -0.581781      8.491029
  H      -3.479123     -0.004932      6.951789
  H      -4.199004      1.362757      9.618047
  H      -6.396128      1.424291      8.895430
  H      -5.442853     -1.559891      4.488823
  H      -9.896102     -0.555826      4.334153
  H     -11.451422      0.811728      5.739934
  H     -10.605721      1.926928      7.800650
  H      -8.261089      1.714818      8.469279
  N      -3.185052      2.450970      4.567608
  H      -3.231107      3.428738      4.255059
  H      -4.185630      2.166859      4.578854
  H      -2.780504      1.903136      3.778318
93
Coordinates from ORCA-job orca E -6201.154493339839
  N      -2.695136      4.402203      6.949178
  Mo     -1.960674      2.597553      6.423536
  N      -2.184094      1.353629      7.895595
  C      -1.237399      1.383309      9.007037
  C      -0.668916      2.790584      9.123522
  N      -0.345601      3.296427      7.757968
  C      -0.386562      4.782195      7.669450
  C      -1.822602      5.269033      7.738176
  C       0.952937      2.767752      7.245775
  C       0.898370      2.694780      5.720449
  N      -0.374760      2.086002      5.337813
  H      -1.858723      6.313153      7.374064
  H      -2.173923      5.304985      8.790964
  H       0.055934      5.054307      6.700950
  H       0.232998      5.230553      8.464165
  H       1.748465      2.090164      5.363428
  H       1.021755      3.698749      5.274492
  H       1.080198      1.754699      7.649409
  H       1.783553      3.396316      7.607780
  H      -1.726019      1.106823      9.956828
  H      -0.430674      0.642826      8.838970
  H      -1.433156      3.457282      9.542824
  H       0.222688      2.827395      9.770935
  C      -4.089356      4.834471      7.123009
  C      -5.048952      3.978493      6.375834
  C      -6.197479      4.334802      5.782662
  C      -6.910889      3.430253      4.873553
  N      -6.190383      2.482726      4.259285
  C      -6.798278      1.756835      3.288564
  N      -8.037671      1.877145      2.855492
  C      -8.817453      2.785779      3.510365
  C     -10.176891      2.923106      3.137341
  C     -10.991447      3.808898      3.809801
  C     -10.485352      4.590754      4.875900
  C      -9.160882      4.492176      5.248148
  C      -8.296442      3.598072      4.569443
  C      -0.344390      1.021784      4.327401
  C      -1.126179     -0.159237      4.832972
  C      -2.133472     -0.878643      4.291016
  C      -2.850219     -0.684778      3.032338
  N      -2.842881      0.525857      2.463054
  C      -3.592714      0.712783      1.349865
  N      -4.353954     -0.171209      0.737753
  C      -4.366922     -1.428103      1.274494
  C      -5.165100     -2.422546      0.659692
  C      -5.192658     -3.701036      1.174069
  C      -4.420782     -4.035670      2.311420
  C      -3.637543     -3.085448      2.933350
  C      -3.601054     -1.755706      2.440926
  C      -3.216744      0.314629      7.921097
  C      -4.431579      0.836873      8.629805
  C      -5.719443      0.845482      8.219481
  C      -6.309488      0.239620      7.026738
  N      -5.543412     -0.502767      6.219231
  C      -6.127695     -1.084761      5.148729
  N      -7.398166     -1.033919      4.792671
  C      -8.208875     -0.265282      5.579309
  C      -9.574246     -0.138722      5.225555
  C     -10.415718      0.650074      5.979469
  C      -9.925937      1.334899      7.114503
  C      -8.602616      1.221825      7.487975
  C      -7.707000      0.421053      6.734118
  H      -4.204196      5.894298      6.823961
  H      -4.334276      4.798642      8.209003
  H      -4.757122      2.933263      6.273921
  H      -6.585289      5.352442      5.880105
  H      -6.172008      1.007708      2.796280
  H     -10.549566      2.300762      2.323156
  H     -12.040006      3.907434      3.524646
  H     -11.149580      5.276575      5.403307
  H      -8.782025      5.088117      6.079070
  H       0.701631      0.675698      4.217019
  H      -0.673086      1.364387      3.335322
  H      -0.772716     -0.497856      5.812906
  H      -2.475043     -1.729110      4.883070
  H      -3.575168      1.723991      0.932417
  H      -5.744385     -2.141951     -0.220283
  H      -5.809473     -4.465942      0.700401
  H      -4.445861     -5.055760      2.696481
  H      -3.040929     -3.363604      3.801576
  H      -2.821841     -0.585902      8.429909
  H      -3.477867      0.011434      6.899477
  H      -4.219014      1.341503      9.578592
  H      -6.419783      1.367201      8.871042
  H      -5.461305     -1.671488      4.507321
  H      -9.918390     -0.667079      4.336264
  H     -11.463289      0.758470      5.696368
  H     -10.602525      1.958289      7.700175
  H      -8.255056      1.759769      8.368643
  N      -3.200473      2.462301      4.567715
  H      -3.232075      3.430113      4.223751
  H      -4.207817      2.203305      4.602161
  H      -2.818259      1.889426      3.783681
93
Coordinates from ORCA-job orca E -6201.155760604865
  N      -2.679263      4.428976      6.943291
  Mo     -1.959882      2.618604      6.412589
  N      -2.198071      1.356321      7.867472
  C      -1.263375      1.366774      8.988619
  C      -0.683839      2.767102      9.123329
  N      -0.347407      3.287419      7.766309
  C      -0.372832      4.774637      7.695772
  C      -1.805357      5.272858      7.757549
  C       0.947928      2.750388      7.254476
  C       0.905393      2.706051      5.728200
  N      -0.372210      2.123336      5.320956
  H      -1.829402      6.323927      7.413022
  H      -2.167625      5.291514      8.806909
  H       0.080258      5.053987      6.734337
  H       0.243562      5.208609      8.500935
  H       1.750704      2.096973      5.367611
  H       1.046637      3.716467      5.302224
  H       1.057120      1.727842      7.639307
  H       1.784641      3.359472      7.635790
  H      -1.765480      1.088915      9.931261
  H      -0.462495      0.618649      8.825188
  H      -1.445872      3.434659      9.545419
  H       0.203390      2.789478      9.777582
  C      -4.070119      4.874983      7.115762
  C      -5.040899      4.029211      6.370413
  C      -6.183378      4.401402      5.773603
  C      -6.917178      3.482843      4.892964
  N      -6.216333      2.504811      4.304170
  C      -6.841343      1.751879      3.366572
  N      -8.084368      1.869740      2.943690
  C      -8.845590      2.810155      3.574621
  C     -10.208739      2.947465      3.214370
  C     -11.005503      3.865667      3.863814
  C     -10.477570      4.682772      4.892776
  C      -9.149206      4.585414      5.250484
  C      -8.302996      3.656206      4.595654
  C      -0.350260      1.073996      4.293166
  C      -1.089388     -0.132589      4.803841
  C      -2.090345     -0.874423      4.278409
  C      -2.840174     -0.692260      3.036422
  N      -2.877462      0.521179      2.474209
  C      -3.648970      0.694104      1.373601
  N      -4.403590     -0.204621      0.775175
  C      -4.379935     -1.461855      1.311254
  C      -5.174272     -2.470107      0.714294
  C      -5.163492     -3.750498      1.224818
  C      -4.355348     -4.072717      2.340348
  C      -3.576071     -3.108466      2.946026
  C      -3.579454     -1.777165      2.458008
  C      -3.231274      0.317660      7.868584
  C      -4.446338      0.812838      8.594544
  C      -5.736774      0.802788      8.196526
  C      -6.317848      0.197965      7.000764
  N      -5.546870     -0.565083      6.218270
  C      -6.123060     -1.157563      5.147570
  N      -7.389894     -1.107986      4.779911
  C      -8.205001     -0.318925      5.542882
  C      -9.567356     -0.198190      5.177933
  C     -10.410469      0.614958      5.904028
  C      -9.923905      1.334611      7.018614
  C      -8.603363      1.225494      7.404396
  C      -7.709048      0.393104      6.684313
  H      -4.173815      5.936739      6.819764
  H      -4.316601      4.839510      8.201444
  H      -4.767890      2.978664      6.280814
  H      -6.555290      5.425450      5.860609
  H      -6.228097      0.980018      2.893762
  H     -10.598737      2.299050      2.429023
  H     -12.057050      3.963948      3.589148
  H     -11.128368      5.394643      5.402365
  H      -8.753464      5.209527      6.052661
  H       0.698910      0.756087      4.140130
  H      -0.721670      1.424454      3.320138
  H      -0.706988     -0.471082      5.772926
  H      -2.394250     -1.739748      4.870348
  H      -3.658243      1.706356      0.957926
  H      -5.781263     -2.198481     -0.149867
  H      -5.777303     -4.526418      0.765043
  H      -4.349172     -5.094496      2.722077
  H      -2.952278     -3.379650      3.797519
  H      -2.835648     -0.595882      8.354198
  H      -3.491432      0.035593      6.840170
  H      -4.233061      1.308825      9.547898
  H      -6.443438      1.297880      8.862414
  H      -5.452583     -1.762049      4.526930
  H      -9.908470     -0.749432      4.301219
  H     -11.456350      0.718259      5.611927
  H     -10.600317      1.982058      7.578122
  H      -8.256355      1.793145      8.266740
  N      -3.212437      2.477223      4.569533
  H      -3.222161      3.437947      4.203957
  H      -4.226723      2.244234      4.609067
  H      -2.841191      1.883587      3.794237
93
Coordinates from ORCA-job orca E -6201.156902188102
  N      -2.656197      4.460782      6.934991
  Mo     -1.957025      2.643475      6.399549
  N      -2.219733      1.368209      7.840358
  C      -1.298543      1.357790      8.972045
  C      -0.701306      2.748909      9.122279
  N      -0.348087      3.278348      7.772580
  C      -0.352939      4.766864      7.716975
  C      -1.779668      5.282119      7.770049
  C       0.943478      2.727356      7.265761
  C       0.916209      2.704672      5.739522
  N      -0.365663      2.150011      5.308033
  H      -1.787743      6.338308      7.440771
  H      -2.152274      5.289869      8.815822
  H       0.112986      5.049446      6.762699
  H       0.260613      5.185560      8.532335
  H       1.756709      2.088833      5.379304
  H       1.077947      3.719173      5.330054
  H       1.030990      1.697454      7.636734
  H       1.786278      3.316225      7.665380
  H      -1.815949      1.083873      9.907799
  H      -0.507641      0.597213      8.816194
  H      -1.458468      3.421864      9.544616
  H       0.181101      2.755287      9.783499
  C      -4.042925      4.921561      7.097554
  C      -5.017902      4.082446      6.349306
  C      -6.150113      4.467957      5.739624
  C      -6.895953      3.534908      4.883505
  N      -6.204502      2.540109      4.311850
  C      -6.841716      1.760564      3.405768
  N      -8.092499      1.862303      3.001482
  C      -8.844101      2.821383      3.615268
  C     -10.214223      2.944070      3.276876
  C     -11.000744      3.881865      3.910800
  C     -10.455333      4.734608      4.901319
  C      -9.120205      4.651458      5.236765
  C      -8.284720      3.701060      4.597931
  C      -0.348505      1.107319      4.272007
  C      -1.055841     -0.115047      4.788665
  C      -2.055641     -0.867201      4.274923
  C      -2.825077     -0.687769      3.044390
  N      -2.877751      0.526096      2.484188
  C      -3.658199      0.694905      1.389516
  N      -4.417774     -0.206447      0.801515
  C      -4.386767     -1.461933      1.341610
  C      -5.191292     -2.470779      0.759640
  C      -5.171251     -3.751115      1.270658
  C      -4.342479     -4.071847      2.371258
  C      -3.553714     -3.106345      2.963347
  C      -3.567612     -1.775330      2.476063
  C      -3.256705      0.333529      7.817683
  C      -4.471769      0.805214      8.557871
  C      -5.766295      0.768975      8.175971
  C      -6.342035      0.155453      6.982546
  N      -5.566465     -0.617510      6.214415
  C      -6.140234     -1.225192      5.148732
  N      -7.407653     -1.191568      4.784634
  C      -8.227076     -0.394678      5.535510
  C      -9.592051     -0.294635      5.176180
  C     -10.436782      0.532000      5.885655
  C      -9.948128      1.289491      6.974274
  C      -8.624363      1.199076      7.355564
  C      -7.731508      0.347493      6.657316
  H      -4.134965      5.984125      6.800672
  H      -4.298110      4.888786      8.181304
  H      -4.763285      3.025777      6.277495
  H      -6.508200      5.497398      5.812478
  H      -6.234640      0.974886      2.947301
  H     -10.617748      2.269577      2.520877
  H     -12.057696      3.969183      3.653503
  H     -11.098490      5.461886      5.398789
  H      -8.710506      5.303584      6.009090
  H       0.701746      0.814214      4.084282
  H      -0.756691      1.458128      3.314871
  H      -0.655102     -0.452934      5.750577
  H      -2.339542     -1.739618      4.866609
  H      -3.669609      1.705901      0.970350
  H      -5.813183     -2.199724     -0.094128
  H      -5.792923     -4.527811      0.822835
  H      -4.327658     -5.093604      2.752974
  H      -2.915095     -3.379965      3.803026
  H      -2.863813     -0.593242      8.281501
  H      -3.516344      0.071239      6.784092
  H      -4.256712      1.297242      9.512948
  H      -6.478478      1.238931      8.854924
  H      -5.464159     -1.829820      4.534725
  H      -9.934939     -0.870647      4.316151
  H     -11.485804      0.617972      5.598622
  H     -10.624755      1.951742      7.516126
  H      -8.272502      1.798318      8.194903
  N      -3.206943      2.516160      4.551593
  H      -3.189146      3.469502      4.166949
  H      -4.228537      2.310518      4.592065
  H      -2.841745      1.901922      3.790158
93
Coordinates from ORCA-job orca E -6201.157968840865
  N      -2.639361      4.484341      6.931621
  Mo     -1.956947      2.664094      6.386704
  N      -2.237270      1.373449      7.808503
  C      -1.326894      1.342013      8.949045
  C      -0.713930      2.725333      9.118389
  N      -0.348776      3.267790      7.777228
  C      -0.339717      4.757004      7.739443
  C      -1.761854      5.284553      7.786585
  C       0.938629      2.709189      7.269467
  C       0.922229      2.714577      5.743276
  N      -0.363683      2.186891      5.288435
  H      -1.757503      6.345548      7.473250
  H      -2.144134      5.279792      8.828906
  H       0.136248      5.046132      6.792072
  H       0.270095      5.161899      8.564487
  H       1.757716      2.094680      5.378458
  H       1.100876      3.734533      5.354218
  H       1.009381      1.671443      7.622285
  H       1.786793      3.278858      7.685503
  H      -1.856018      1.067105      9.877945
  H      -0.545205      0.571705      8.794505
  H      -1.466323      3.400728      9.545558
  H       0.164882      2.714645      9.784282
  C      -4.022624      4.956904      7.090635
  C      -5.005988      4.122482      6.348413
  C      -6.129641      4.517172      5.728681
  C      -6.892308      3.577749      4.894837
  N      -6.214548      2.563789      4.341333
  C      -6.866804      1.765500      3.463058
  N      -8.122278      1.864515      3.072500
  C      -8.859244      2.847764      3.666301
  C     -10.232074      2.971888      3.339745
  C     -11.003586      3.936172      3.952499
  C     -10.439341      4.814757      4.909361
  C      -9.101325      4.729028      5.233095
  C      -8.281703      3.751036      4.615838
  C      -0.347291      1.156220      4.240101
  C      -1.008310     -0.088403      4.763639
  C      -2.003689     -0.858789      4.268883
  C      -2.804466     -0.688425      3.057622
  N      -2.887199      0.525239      2.499801
  C      -3.694504      0.683465      1.423556
  N      -4.456655     -0.227677      0.854142
  C      -4.396404     -1.482552      1.392773
  C      -5.203629     -2.501438      0.831967
  C      -5.152881     -3.782061      1.340060
  C      -4.289013     -4.093507      2.416008
  C      -3.497365     -3.118082      2.987946
  C      -3.543516     -1.786336      2.504605
  C      -3.275020      0.340337      7.761089
  C      -4.492007      0.786796      8.513148
  C      -5.789261      0.726121      8.141512
  C      -6.360663      0.107446      6.947250
  N      -5.586019     -0.679434      6.191251
  C      -6.159972     -1.295429      5.129637
  N      -7.426647     -1.264673      4.765230
  C      -8.244001     -0.455573      5.504589
  C      -9.609652     -0.360213      5.146348
  C     -10.450115      0.483680      5.840411
  C      -9.956512      1.265099      6.910378
  C      -8.632456      1.178043      7.291618
  C      -7.745718      0.305339      6.612334
  H      -4.105898      6.019204      6.790333
  H      -4.278973      4.928993      8.174226
  H      -4.769605      3.058870      6.293506
  H      -6.472708      5.552747      5.783191
  H      -6.270771      0.962597      3.019425
  H     -10.649691      2.278427      2.608986
  H     -12.062526      4.025013      3.704074
  H     -11.070373      5.563668      5.390023
  H      -8.676031      5.402147      5.978453
  H       0.703273      0.895832      4.012292
  H      -0.797186      1.507199      3.302270
  H      -0.578916     -0.422069      5.714814
  H      -2.255894     -1.739629      4.861802
  H      -3.724313      1.693398      1.002649
  H      -5.852166     -2.237101     -0.003962
  H      -5.776880     -4.566011      0.908401
  H      -4.248888     -5.115429      2.795452
  H      -2.831830     -3.385239      3.808451
  H      -2.883496     -0.600159      8.198867
  H      -3.533684      0.102509      6.721503
  H      -4.278176      1.276787      9.469491
  H      -6.507208      1.177137      8.827677
  H      -5.483401     -1.903538      4.520117
  H      -9.956578     -0.951854      4.298671
  H     -11.499828      0.565317      5.554525
  H     -10.628865      1.944012      7.436762
  H      -8.274267      1.797451      8.114007
  N      -3.216382      2.541415      4.544733
  H      -3.175293      3.489094      4.147941
  H      -4.242843      2.357133      4.594066
  H      -2.863806      1.909539      3.792081
93
Coordinates from ORCA-job orca E -6201.159040410893
  N      -2.617003      4.508160      6.928294
  Mo     -1.954135      2.685732      6.372877
  N      -2.258847      1.382705      7.776850
  C      -1.359427      1.328874      8.925822
  C      -0.727436      2.702370      9.114091
  N      -0.347561      3.255569      7.781771
  C      -0.322161      4.745021      7.760186
  C      -1.738435      5.288022      7.800389
  C       0.934875      2.685749      7.275540
  C       0.931642      2.716690      5.749763
  N      -0.358580      2.219016      5.271498
  H      -1.719274      6.352598      7.500069
  H      -2.130424      5.275205      8.839151
  H       0.165209      5.038673      6.819972
  H       0.284180      5.134938      8.594923
  H       1.760845      2.090576      5.381571
  H       1.129427      3.740454      5.380416
  H       0.985779      1.641323      7.611968
  H       1.788639      3.234803      7.707668
  H      -1.901298      1.055038      9.847709
  H      -0.589466      0.546824      8.772188
  H      -1.473067      3.382750      9.545387
  H       0.147230      2.672361      9.784592
  C      -3.997239      4.991239      7.079341
  C      -4.986383      4.157069      6.344204
  C      -6.100358      4.556896      5.711265
  C      -6.878352      3.612438      4.897867
  N      -6.212093      2.582673      4.360515
  C      -6.880626      1.765858      3.511285
  N      -8.141594      1.860527      3.137827
  C      -8.864941      2.865096      3.713093
  C     -10.240963      2.988645      3.401181
  C     -10.998389      3.975825      3.995399
  C     -10.415686      4.877933      4.918609
  C      -9.074153      4.791651      5.228266
  C      -8.269368      3.790497      4.629413
  C      -0.343915      1.197947      4.213512
  C      -0.966109     -0.063846      4.743494
  C      -1.961252     -0.845175      4.265114
  C      -2.787301     -0.679622      3.070249
  N      -2.891556      0.533107      2.513062
  C      -3.721063      0.682467      1.452538
  N      -4.487910     -0.235145      0.900074
  C      -4.407200     -1.488634      1.438645
  C      -5.219608     -2.514213      0.897406
  C      -5.147339     -3.793977      1.404668
  C      -4.255695     -4.098460      2.459785
  C      -3.459035     -3.116430      3.013165
  C      -3.527428     -1.784693      2.531355
  C      -3.302290      0.356931      7.707899
  C      -4.519164      0.788611      8.468735
  C      -5.817826      0.704977      8.105864
  C      -6.382578      0.072726      6.914032
  N      -5.603499     -0.722594      6.170737
  C      -6.174473     -1.355871      5.117376
  N      -7.442243     -1.340265      4.755808
  C      -8.262639     -0.523464      5.482290
  C      -9.630962     -0.444521      5.128064
  C     -10.472678      0.410037      5.807022
  C      -9.978815      1.220430      6.855723
  C      -8.653127      1.149023      7.233743
  C      -7.765917      0.262496      6.572727
  H      -4.073334      6.051852      6.771454
  H      -4.256149      4.971102      8.162492
  H      -4.766755      3.088308      6.310906
  H      -6.427659      5.598748      5.743673
  H      -6.295152      0.948279      3.079876
  H     -10.672261      2.277413      2.695865
  H     -12.059837      4.064734      3.758057
  H     -11.035347      5.645456      5.384524
  H      -8.633628      5.483819      5.946782
  H       0.705003      0.966966      3.950476
  H      -0.831106      1.546281      3.294051
  H      -0.511819     -0.394160      5.684303
  H      -2.190047     -1.732197      4.857741
  H      -3.766279      1.691300      1.029892
  H      -5.889307     -2.255019      0.076642
  H      -5.775695     -4.582556      0.988003
  H      -4.198004     -5.119727      2.838695
  H      -2.772620     -3.377915      3.818058
  H      -2.916233     -0.596866      8.121424
  H      -3.561474      0.141972      6.663231
  H      -4.305828      1.281633      9.423539
  H      -6.542138      1.142492      8.794023
  H      -5.494577     -1.967701      4.515343
  H      -9.979036     -1.056332      4.295383
  H     -11.524380      0.478225      5.524825
  H     -10.651978      1.909904      7.367220
  H      -8.292700      1.790447      8.038200
  N      -3.216668      2.576006      4.530782
  H      -3.150442      3.517557      4.123658
  H      -4.247051      2.411743      4.583213
  H      -2.874840      1.924306      3.790810
93
Coordinates from ORCA-job orca E -6201.160078448147
  N      -2.591371      4.534328      6.929204
  Mo     -1.951535      2.710688      6.359182
  N      -2.282658      1.394187      7.742729
  C      -1.393667      1.315956      8.898964
  C      -0.741361      2.678024      9.107602
  N      -0.345783      3.242827      7.785187
  C      -0.301616      4.731814      7.781401
  C      -1.710698      5.292570      7.817136
  C       0.930363      2.660817      7.278763
  C       0.939718      2.718926      5.753769
  N      -0.355420      2.254326      5.253216
  H      -1.675132      6.360403      7.530094
  H      -2.111328      5.272726      8.852526
  H       0.196820      5.030251      6.848587
  H       0.302646      5.104322      8.625563
  H       1.760814      2.085497      5.380577
  H       1.157710      3.745624      5.405035
  H       0.960303      1.610114      7.597481
  H       1.790350      3.187521      7.726196
  H      -1.947839      1.041902      9.813511
  H      -0.635981      0.522637      8.743472
  H      -1.478319      3.364183      9.544642
  H       0.129086      2.625542      9.781982
  C      -3.968016      5.027806      7.075029
  C      -4.964331      4.193190      6.350418
  C      -6.068842      4.596291      5.704374
  C      -6.862075      3.647442      4.912022
  N      -6.207353      2.602165      4.390982
  C      -6.892491      1.768195      3.571104
  N      -8.157827      1.860552      3.213966
  C      -8.867435      2.885523      3.770486
  C     -10.245775      3.010174      3.471485
  C     -10.989218      4.019024      4.047080
  C     -10.389047      4.941751      4.937756
  C      -9.044601      4.854043      5.234643
  C      -8.254303      3.831172      4.654307
  C      -0.343232      1.243942      4.184380
  C      -0.925286     -0.035805      4.719173
  C      -1.919561     -0.829322      4.258806
  C      -2.773674     -0.671999      3.082939
  N      -2.903955      0.538174      2.525612
  C      -3.759325      0.675491      1.484064
  N      -4.529457     -0.250987      0.951827
  C      -4.422909     -1.502393      1.490480
  C      -5.237476     -2.537719      0.971332
  C      -5.138396     -3.815602      1.478326
  C      -4.216830     -4.108864      2.510638
  C      -3.417899     -3.117199      3.042728
  C      -3.513444     -1.786535      2.561594
  C      -3.332326      0.377026      7.650642
  C      -4.550935      0.799166      8.414859
  C      -5.849509      0.692808      8.057553
  C      -6.406563      0.038505      6.873192
  N      -5.621122     -0.766337      6.146760
  C      -6.185859     -1.421530      5.104119
  N      -7.454114     -1.422094      4.741492
  C      -8.279948     -0.596014      5.449948
  C      -9.649492     -0.533042      5.094449
  C     -10.495048      0.332983      5.753010
  C     -10.005143      1.172846      6.780350
  C      -8.679628      1.117363      7.160202
  C      -7.788603      0.216641      6.522794
  H      -4.038206      6.085983      6.757803
  H      -4.226310      5.017250      8.158441
  H      -4.762409      3.120137      6.338744
  H      -6.379551      5.644064      5.712439
  H      -6.318427      0.935764      3.153051
  H     -10.689909      2.283172      2.790747
  H     -12.052617      4.109249      3.819615
  H     -10.997440      5.726900      5.388774
  H      -8.590140      5.562915      5.927625
  H       0.702499      1.042872      3.887612
  H      -0.866091      1.589231      3.284187
  H      -0.443587     -0.362533      5.647388
  H      -2.122323     -1.722555      4.851110
  H      -3.824227      1.682263      1.058724
  H      -5.930240     -2.287030      0.167343
  H      -5.768709     -4.611275      1.078593
  H      -4.137874     -5.128720      2.889328
  H      -2.708590     -3.368504      3.830688
  H      -2.952701     -0.588782      8.041125
  H      -3.589538      0.184294      6.600743
  H      -4.340608      1.300849      9.365607
  H      -6.580743      1.124041      8.741976
  H      -5.501414     -2.038799      4.513196
  H      -9.995210     -1.166312      4.277089
  H     -11.547337      0.388223      5.470275
  H     -10.681292      1.872959      7.273041
  H      -8.320863      1.780700      7.947239
  N      -3.218321      2.617304      4.517509
  H      -3.130716      3.553856      4.104353
  H      -4.251168      2.468477      4.574949
  H      -2.888395      1.949703      3.786137
93
Coordinates from ORCA-job orca E -6201.161054577449
  N      -2.568502      4.554301      6.930248
  Mo     -1.948153      2.731536      6.345776
  N      -2.304068      1.403980      7.711052
  C      -1.424736      1.304620      8.873742
  C      -0.755237      2.655629      9.099900
  N      -0.344652      3.230420      7.786657
  C      -0.283462      4.718609      7.798891
  C      -1.686559      5.294968      7.831141
  C       0.926207      2.637626      7.280688
  C       0.947924      2.719889      5.756963
  N      -0.351303      2.286589      5.236305
  H      -1.636681      6.365099      7.554866
  H      -2.094682      5.270119      8.863417
  H       0.224581      5.021657      6.872876
  H       0.319006      5.075242      8.651224
  H       1.761074      2.079162      5.379449
  H       1.184516      3.748286      5.426638
  H       0.937057      1.581921      7.583293
  H       1.791284      3.143899      7.741796
  H      -1.990506      1.030802      9.781297
  H      -0.677332      0.502132      8.716845
  H      -1.484357      3.346949      9.541910
  H       0.110932      2.582688      9.777812
  C      -3.943305      5.053936      7.071423
  C      -4.944760      4.213362      6.360458
  C      -6.040751      4.614935      5.699639
  C      -6.845233      3.662280      4.923409
  N      -6.200448      2.604480      4.416162
  C      -6.896907      1.760654      3.614685
  N      -8.162499      1.857333      3.261829
  C      -8.861024      2.898577      3.801856
  C     -10.238454      3.030648      3.503201
  C     -10.971178      4.056200      4.062852
  C     -10.360455      4.988671      4.935750
  C      -9.016158      4.894353      5.231518
  C      -8.236658      3.854235      4.667692
  C      -0.340794      1.285748      4.157694
  C      -0.887609     -0.010095      4.694011
  C      -1.882548     -0.811657      4.249336
  C      -2.761891     -0.658353      3.091822
  N      -2.912423      0.550286      2.536813
  C      -3.790057      0.680673      1.512686
  N      -4.564857     -0.251144      0.996880
  C      -4.438351     -1.501711      1.533685
  C      -5.256743     -2.542923      1.032690
  C      -5.137365     -3.819794      1.537717
  C      -4.191179     -4.106301      2.549538
  C      -3.388506     -3.108717      3.064258
  C      -3.504187     -1.778573      2.585218
  C      -3.360596      0.396143      7.601867
  C      -4.577048      0.814702      8.372282
  C      -5.875862      0.689522      8.024527
  C      -6.428937      0.014094      6.850872
  N      -5.637454     -0.795915      6.137264
  C      -6.196678     -1.471185      5.105586
  N      -7.466430     -1.488609      4.744310
  C      -8.298177     -0.658064      5.439847
  C      -9.669416     -0.611879      5.085982
  C     -10.520008      0.259778      5.729709
  C     -10.034559      1.123504      6.739329
  C      -8.708519      1.085081      7.117996
  C      -7.811935      0.177193      6.497489
  H      -4.011812      6.108340      6.741817
  H      -4.199342      5.055623      8.155326
  H      -4.756066      3.137366      6.373506
  H      -6.336396      5.667336      5.681780
  H      -6.331863      0.916399      3.208673
  H     -10.690392      2.296062      2.835945
  H     -12.034154      4.152247      3.835852
  H     -10.960270      5.787709      5.373678
  H      -8.553425      5.611903      5.909969
  H       0.701134      1.111890      3.832704
  H      -0.893374      1.628509      3.274988
  H      -0.380698     -0.335895      5.608907
  H      -2.063593     -1.710955      4.839344
  H      -3.870574      1.686351      1.087143
  H      -5.968630     -2.297380      0.244031
  H      -5.770862     -4.619796      1.151908
  H      -4.096601     -5.125437      2.926577
  H      -2.660525     -3.352788      3.837347
  H      -2.986556     -0.579658      7.971337
  H      -3.619046      0.223481      6.548267
  H      -4.365540      1.328602      9.316066
  H      -6.610584      1.119037      8.706215
  H      -5.508172     -2.091413      4.522705
  H     -10.012152     -1.263341      4.281705
  H     -11.573378      0.301607      5.448459
  H     -10.714785      1.829380      7.218065
  H      -8.352380      1.766125      7.890846
  N      -3.219958      2.649588      4.507509
  H      -3.114580      3.580698      4.087600
  H      -4.254586      2.512708      4.570386
  H      -2.901631      1.965817      3.785868
93
Coordinates from ORCA-job orca E -6201.161959449269
  N      -2.547572      4.576647      6.931726
  Mo     -1.945860      2.755442      6.330719
  N      -2.324312      1.411865      7.674008
  C      -1.456156      1.290831      8.842986
  C      -0.774179      2.632065      9.089779
  N      -0.348087      3.218731      7.787201
  C      -0.268599      4.705752      7.817911
  C      -1.665072      5.298302      7.846984
  C       0.917718      2.615073      7.282180
  C       0.954062      2.722398      5.760485
  N      -0.347956      2.322597      5.218535
  H      -1.600821      6.370775      7.583007
  H      -2.081099      5.266973      8.875753
  H       0.249832      5.014294      6.899669
  H       0.331801      5.044474      8.678998
  H       1.758990      2.073667      5.379373
  H       1.211253      3.751719      5.449369
  H       0.908481      1.554516      7.567359
  H       1.786977      3.099369      7.758928
  H      -2.033696      1.014166      9.742309
  H      -0.716353      0.481771      8.684302
  H      -1.497088      3.326546      9.536894
  H       0.087053      2.539541      9.771687
  C      -3.919772      5.083421      7.068900
  C      -4.926570      4.237981      6.370990
  C      -6.013674      4.640358      5.695485
  C      -6.829749      3.683071      4.937075
  N      -6.196538      2.611799      4.444169
  C      -6.904667      1.758805      3.662465
  N      -8.170950      1.860114      3.314579
  C      -8.857541      2.917047      3.838814
  C     -10.235204      3.055618      3.544227
  C     -10.956360      4.096603      4.090030
  C     -10.333628      5.038469      4.944044
  C      -8.988788      4.938237      5.235174
  C      -8.220693      3.882176      4.685363
  C      -0.339883      1.332062      4.129591
  C      -0.848657      0.020445      4.666480
  C      -1.841503     -0.793436      4.240500
  C      -2.749175     -0.649674      3.103805
  N      -2.925593      0.556173      2.551209
  C      -3.826415      0.676086      1.545895
  N      -4.603599     -0.264029      1.049446
  C      -4.452747     -1.512330      1.586117
  C      -5.273105     -2.561907      1.106814
  C      -5.128949     -3.836791      1.610612
  C      -4.155336     -4.112502      2.599134
  C      -3.350690     -3.106214      3.093216
  C      -3.491259     -1.778054      2.615586
  C      -3.384354      0.410382      7.543092
  C      -4.599899      0.819082      8.320437
  C      -5.899362      0.674618      7.984306
  C      -6.450149     -0.017224      6.820647
  N      -5.655156     -0.832722      6.117502
  C      -6.211023     -1.521997      5.093654
  N      -7.481123     -1.548493      4.731835
  C      -8.316322     -0.712990      5.417112
  C      -9.687382     -0.674551      5.061580
  C     -10.540767      0.203393      5.692778
  C     -10.058484      1.081222      6.691612
  C      -8.732957      1.050552      7.072367
  C      -7.833687      0.136569      6.464889
  H      -3.985720      6.134223      6.727692
  H      -4.174044      5.097557      8.153014
  H      -4.751388      3.159196      6.409516
  H      -6.293151      5.696489      5.653714
  H      -6.349551      0.901606      3.270643
  H     -10.696400      2.313427      2.891985
  H     -12.019610      4.197713      3.866614
  H     -10.924373      5.849940      5.371237
  H      -8.517410      5.663626      5.899181
  H       0.697259      1.185728      3.777694
  H      -0.920795      1.672221      3.264809
  H      -0.314781     -0.302871      5.566762
  H      -1.995394     -1.698634      4.829179
  H      -3.925991      1.679884      1.119836
  H      -6.006279     -2.324683      0.335390
  H      -5.763869     -4.643481      1.241547
  H      -4.041718     -5.130231      2.974653
  H      -2.601706     -3.340691      3.848956
  H      -3.013467     -0.574830      7.889483
  H      -3.641653      0.259765      6.485530
  H      -4.387488      1.343592      9.258020
  H      -6.635310      1.101149      8.666738
  H      -5.520968     -2.147581      4.518769
  H     -10.027452     -1.337534      4.265581
  H     -11.594006      0.239190      5.410208
  H     -10.740828      1.792417      7.159277
  H      -8.378428      1.742867      7.835955
  N      -3.222171      2.683976      4.496814
  H      -3.105786      3.609549      4.068250
  H      -4.258029      2.556501      4.567901
  H      -2.915496      1.988741      3.780548
93
Coordinates from ORCA-job orca E -6201.162827224945
  N      -2.532652      4.593249      6.933925
  Mo     -1.944596      2.775449      6.316050
  N      -2.340851      1.416293      7.639011
  C      -1.483368      1.278341      8.814126
  C      -0.793374      2.611549      9.078660
  N      -0.353782      3.208575      7.785444
  C      -0.258419      4.694156      7.833389
  C      -1.649694      5.299855      7.860731
  C       0.908237      2.596288      7.281269
  C       0.958345      2.726373      5.762245
  N      -0.345250      2.357738      5.201031
  H      -1.574103      6.373934      7.606692
  H      -2.071911      5.262907      8.886542
  H       0.268497      5.008345      6.922039
  H       0.340224      5.016862      8.701823
  H       1.755634      2.070225      5.377914
  H       1.234428      3.755841      5.468678
  H       0.881641      1.531800      7.550350
  H       1.780347      3.060705      7.772469
  H      -2.071549      0.998620      9.705621
  H      -0.748171      0.465315      8.655272
  H      -1.512355      3.307683      9.529400
  H       0.063145      2.503538      9.764426
  C      -3.903356      5.103630      7.069148
  C      -4.913753      4.249200      6.386802
  C      -5.992264      4.649490      5.695409
  C      -6.817820      3.690009      4.949999
  N      -6.196382      2.607402      4.468573
  C      -6.912041      1.753713      3.694373
  N      -8.175154      1.867641      3.339152
  C      -8.850930      2.937312      3.851044
  C     -10.225711      3.090093      3.548922
  C     -10.936738      4.143021      4.084468
  C     -10.306796      5.083610      4.934719
  C      -8.964482      4.970175      5.232256
  C      -8.206207      3.901086      4.693312
  C      -0.336827      1.378827      4.100782
  C      -0.807955      0.051440      4.633088
  C      -1.797840     -0.774647      4.225027
  C      -2.734153     -0.639483      3.110423
  N      -2.932856      0.563854      2.560679
  C      -3.857354      0.676326      1.576031
  N      -4.640557     -0.269566      1.100485
  C      -4.469070     -1.515677      1.636943
  C      -5.296235     -2.570280      1.181723
  C      -5.132074     -3.843388      1.684231
  C      -4.131186     -4.111803      2.647121
  C      -3.319704     -3.100071      3.118417
  C      -3.480104     -1.773687      2.642240
  C      -3.403175      0.419187      7.493103
  C      -4.614773      0.817353      8.281775
  C      -5.915344      0.654756      7.960940
  C      -6.465802     -0.047818      6.805640
  N      -5.666581     -0.861628      6.105586
  C      -6.219450     -1.559006      5.085730
  N      -7.489450     -1.591017      4.722378
  C      -8.328726     -0.756530      5.404475
  C      -9.698598     -0.721721      5.045308
  C     -10.556182      0.155195      5.672427
  C     -10.078882      1.034655      6.672064
  C      -8.754179      1.008011      7.056043
  C      -7.850837      0.096574      6.451567
  H      -3.970611      6.149730      6.714285
  H      -4.153798      5.132151      8.153677
  H      -4.748837      3.169395      6.453302
  H      -6.255949      5.708444      5.629400
  H      -6.365865      0.885714      3.314616
  H     -10.692841      2.348463      2.900307
  H     -11.997850      4.254794      3.855870
  H     -10.889623      5.904933      5.353907
  H      -8.488234      5.695132      5.893339
  H       0.695866      1.260143      3.726157
  H      -0.941423      1.718583      3.252748
  H      -0.247954     -0.271038      5.517818
  H      -1.924539     -1.685488      4.811564
  H      -3.971890      1.678268      1.149428
  H      -6.050742     -2.338802      0.429417
  H      -5.772181     -4.654262      1.333808
  H      -4.002716     -5.128337      3.021121
  H      -2.550375     -3.328338      3.855300
  H      -3.032758     -0.573391      7.817654
  H      -3.663138      0.289121      6.433407
  H      -4.398466      1.351690      9.212815
  H      -6.649471      1.077340      8.648005
  H      -5.528248     -2.187225      4.515205
  H     -10.034163     -1.387600      4.249672
  H     -11.608734      0.188259      5.386931
  H     -10.764494      1.744533      7.136944
  H      -8.403461      1.702427      7.819513
  N      -3.228975      2.705713      4.492101
  H      -3.109309      3.625326      4.052064
  H      -4.264907      2.582157      4.576511
  H      -2.933604      1.999996      3.780793
93
Coordinates from ORCA-job orca E -6201.163625268190
  N      -2.513303      4.616264      6.933508
  Mo     -1.942347      2.799645      6.299534
  N      -2.360131      1.423452      7.601191
  C      -1.516677      1.268924      8.784131
  C      -0.818182      2.593478      9.067423
  N      -0.361044      3.198933      7.784039
  C      -0.245169      4.682309      7.849240
  C      -1.628873      5.305285      7.872319
  C       0.896198      2.573998      7.282812
  C       0.963683      2.725233      5.766822
  N      -0.340378      2.391770      5.185334
  H      -1.538964      6.380420      7.627747
  H      -2.058625      5.264221      8.894706
  H       0.293206      4.999443      6.945654
  H       0.351084      4.987028      8.725783
  H       1.752182      2.059223      5.381135
  H       1.263271      3.753156      5.490940
  H       0.848995      1.506324      7.536374
  H       1.770722      3.015957      7.790363
  H      -2.117466      0.987340      9.666728
  H      -0.786622      0.450680      8.628090
  H      -1.533921      3.292545      9.518657
  H       0.031652      2.470647      9.759270
  C      -3.880211      5.135230      7.064499
  C      -4.895380      4.274460      6.396406
  C      -5.964587      4.675980      5.690385
  C      -6.803031      3.711869      4.966153
  N      -6.194593      2.615156      4.500803
  C      -6.922025      1.754669      3.746049
  N      -8.185888      1.875008      3.394131
  C      -8.849242      2.959133      3.891492
  C     -10.224783      3.119492      3.595292
  C     -10.923079      4.186823      4.118849
  C     -10.279739      5.134937      4.950838
  C      -8.936657      5.014041      5.241938
  C      -8.191148      3.930218      4.714420
  C      -0.335692      1.425555      4.072992
  C      -0.769872      0.084215      4.599204
  C      -1.755691     -0.755936      4.210746
  C      -2.723118     -0.631827      3.121377
  N      -2.949688      0.568488      2.575945
  C      -3.898217      0.669275      1.613005
  N      -4.683217     -0.285582      1.159136
  C      -4.486072     -1.528437      1.694750
  C      -5.316228     -2.591074      1.264962
  C      -5.127228     -3.861587      1.765813
  C      -4.097737     -4.118523      2.701231
  C      -3.282967     -3.098246      3.148230
  C      -3.468403     -1.774672      2.674097
  C      -3.424449      0.431020      7.436022
  C      -4.636160      0.816043      8.230617
  C      -5.937211      0.633648      7.921874
  C      -6.483326     -0.083154      6.774180
  N      -5.678620     -0.900555      6.084565
  C      -6.227042     -1.610895      5.070182
  N      -7.494515     -1.646656      4.700011
  C      -8.338706     -0.807539      5.370976
  C      -9.705500     -0.775206      5.002036
  C     -10.568026      0.105436      5.617730
  C     -10.098120      0.989745      6.616512
  C      -8.775709      0.965605      7.009728
  C      -7.868119      0.052633      6.415445
  H      -3.944891      6.176678      6.695698
  H      -4.128842      5.179449      8.148822
  H      -4.743581      3.194281      6.492686
  H      -6.210047      5.737424      5.601211
  H      -6.385958      0.874484      3.379962
  H     -10.702624      2.371763      2.961595
  H     -11.984694      4.304525      3.895428
  H     -10.852763      5.967461      5.361377
  H      -8.450854      5.744711      5.889730
  H       0.691022      1.333030      3.675153
  H      -0.963956      1.766137      3.243194
  H      -0.183240     -0.237848      5.466941
  H      -1.850379     -1.672888      4.793796
  H      -4.033049      1.668958      1.187103
  H      -6.093361     -2.368424      0.533310
  H      -5.769544     -4.679164      1.435600
  H      -3.950662     -5.133174      3.073552
  H      -2.492747     -3.318468      3.865186
  H      -3.056110     -0.568421      7.741506
  H      -3.682221      0.320359      6.373660
  H      -4.419822      1.360127      9.156021
  H      -6.670624      1.052607      8.612065
  H      -5.533189     -2.246003      4.510927
  H     -10.034629     -1.446372      4.208094
  H     -11.618542      0.136812      5.324668
  H     -10.787654      1.701091      7.073315
  H      -8.430832      1.664178      7.772236
  N      -3.232582      2.732835      4.484163
  H      -3.113411      3.644321      4.026961
  H      -4.268355      2.615154      4.581303
  H      -2.949553      2.017021      3.777508
93
Coordinates from ORCA-job orca E -6201.164332540820
  N      -2.503331      4.630556      6.938898
  Mo     -1.945501      2.818069      6.284171
  N      -2.376668      1.424088      7.564326
  C      -1.543738      1.255567      8.753124
  C      -0.839223      2.573292      9.054452
  N      -0.369932      3.188068      7.780109
  C      -0.238437      4.669071      7.862862
  C      -1.616332      5.304769      7.886406
  C       0.883166      2.554858      7.278325
  C       0.963090      2.726873      5.765532
  N      -0.341639      2.424617      5.167648
  H      -1.516400      6.380824      7.650227
  H      -2.050210      5.258747      8.906717
  H       0.307319      4.991147      6.965411
  H       0.356599      4.957909      8.745561
  H       1.743810      2.053780      5.376190
  H       1.281974      3.753531      5.506596
  H       0.820838      1.484382      7.516739
  H       1.759649      2.977822      7.798667
  H      -2.153590      0.970541      9.628379
  H      -0.817555      0.433775      8.597620
  H      -1.553555      3.272638      9.507506
  H       0.005260      2.438445      9.750690
  C      -3.867592      5.154174      7.069814
  C      -4.885930      4.284919      6.416856
  C      -5.946462      4.685256      5.696708
  C      -6.796535      3.722838      4.984547
  N      -6.201433      2.614369      4.530612
  C      -6.936739      1.758471      3.778197
  N      -8.196276      1.895525      3.416287
  C      -8.847527      2.991453      3.904044
  C     -10.218956      3.170049      3.598421
  C     -10.905215      4.249785      4.112495
  C     -10.253514      5.192989      4.943918
  C      -8.914032      5.054068      5.243747
  C      -8.181076      3.957057      4.725967
  C      -0.337518      1.475393      4.039972
  C      -0.729181      0.118279      4.556235
  C      -1.707984     -0.738799      4.187303
  C      -2.706893     -0.627538      3.125280
  N      -2.961669      0.569315      2.584251
  C      -3.933842      0.656763      1.643817
  N      -4.717606     -0.308443      1.210044
  C      -4.492822     -1.547713      1.742820
  C      -5.320267     -2.620931      1.334462
  C      -5.104451     -3.888345      1.832548
  C      -4.050225     -4.131277      2.743879
  C      -3.237204     -3.100435      3.169876
  C      -3.449025     -1.780172      2.697990
  C      -3.444225      0.436417      7.389992
  C      -4.650853      0.811684      8.197215
  C      -5.953436      0.612954      7.905093
  C      -6.500658     -0.114018      6.764557
  N      -5.692068     -0.929202      6.076942
  C      -6.238699     -1.645359      5.065117
  N      -7.504568     -1.682129      4.690958
  C      -8.351982     -0.843546      5.359093
  C      -9.716413     -0.809842      4.982567
  C     -10.582231      0.069288      5.596205
  C     -10.117640      0.949113      6.601469
  C      -8.796975      0.924038      7.001197
  C      -7.886099      0.014769      6.407071
  H      -3.933858      6.190560      6.687313
  H      -4.111462      5.212957      8.154366
  H      -4.743569      3.205917      6.540755
  H      -6.175482      5.748569      5.586485
  H      -6.411219      0.868060      3.421364
  H     -10.703707      2.425931      2.965617
  H     -11.963741      4.381447      3.882064
  H     -10.817141      6.035512      5.347093
  H      -8.421515      5.780808      5.891085
  H       0.682193      1.413371      3.618386
  H      -0.990578      1.816650      3.230256
  H      -0.113821     -0.202952      5.404475
  H      -1.767262     -1.661628      4.765610
  H      -4.088520      1.653716      1.218071
  H      -6.117657     -2.408796      0.621659
  H      -5.745061     -4.714032      1.519528
  H      -3.882813     -5.143430      3.114525
  H      -2.428766     -3.310750      3.869196
  H      -3.077620     -0.568744      7.678268
  H      -3.707115      0.342803      6.327160
  H      -4.429435      1.363832      9.116699
  H      -6.682728      1.028516      8.601687
  H      -5.543499     -2.283661      4.511370
  H     -10.041007     -1.479148      4.185101
  H     -11.631125      0.101862      5.297277
  H     -10.809867      1.657834      7.058420
  H      -8.457192      1.619641      7.768755
  N      -3.244369      2.753023      4.480262
  H      -3.131904      3.659385      4.011382
  H      -4.278619      2.633920      4.594144
  H      -2.969714      2.031952      3.775092
93
Coordinates from ORCA-job orca E -6201.164958362958
  N      -2.490396      4.646813      6.940113
  Mo     -1.948638      2.835858      6.269268
  N      -2.394924      1.427933      7.530704
  C      -1.573577      1.247922      8.726096
  C      -0.860971      2.557986      9.041968
  N      -0.377685      3.177587      7.775317
  C      -0.228455      4.655782      7.871247
  C      -1.599207      5.306472      7.894035
  C       0.869643      2.532969      7.273793
  C       0.962374      2.722007      5.763931
  N      -0.342960      2.452411      5.151553
  H      -1.487461      6.382581      7.663701
  H      -2.036873      5.259075      8.912616
  H       0.325277      4.978774      6.978985
  H       0.365790      4.930196      8.759058
  H       1.733727      2.039584      5.371937
  H       1.302631      3.745389      5.519473
  H       0.791139      1.460799      7.499599
  H       1.748440      2.937078      7.805144
  H      -2.193088      0.962948      9.594625
  H      -0.853084      0.420649      8.573589
  H      -1.573719      3.259787      9.493748
  H      -0.022885      2.412540      9.743757
  C      -3.850653      5.178764      7.068398
  C      -4.874318      4.302008      6.433015
  C      -5.925935      4.702010      5.699519
  C      -6.790544      3.741049      5.004121
  N      -6.209558      2.620069      4.562598
  C      -6.957277      1.764902      3.821361
  N      -8.215688      1.913560      3.460286
  C      -8.852858      3.022520      3.937426
  C     -10.222361      3.215239      3.632223
  C     -10.893264      4.310749      4.133455
  C     -10.227652      5.255818      4.951727
  C      -8.889681      5.102290      5.251509
  C      -8.172744      3.989381      4.746014
  C      -0.341576      1.519014      4.010117
  C      -0.688122      0.147512      4.517861
  C      -1.660728     -0.725302      4.169674
  C      -2.690618     -0.623775      3.137099
  N      -2.972603      0.570939      2.603959
  C      -3.967086      0.647116      1.686203
  N      -4.748212     -0.326952      1.268405
  C      -4.497596     -1.563678      1.794821
  C      -5.321309     -2.646076      1.403197
  C      -5.081461     -3.911037      1.896285
  C      -4.007007     -4.141932      2.786846
  C      -3.196527     -3.102147      3.195972
  C      -3.431121     -1.784485      2.727685
  C      -3.464887      0.445116      7.345379
  C      -4.670422      0.810532      8.159552
  C      -5.972870      0.594350      7.878859
  C      -6.516077     -0.146415      6.744650
  N      -5.701441     -0.963581      6.066829
  C      -6.242603     -1.690383      5.058968
  N      -7.505357     -1.729773      4.676404
  C      -8.358143     -0.887902      5.333749
  C      -9.719556     -0.856003      4.946260
  C     -10.590237      0.024805      5.550688
  C     -10.133974      0.906910      6.557738
  C      -8.816331      0.883802      6.967680
  C      -7.900425     -0.025585      6.381730
  H      -3.915579      6.209020      6.669468
  H      -4.090180      5.255376      8.152649
  H      -4.743846      3.224633      6.587889
  H      -6.136615      5.766680      5.566969
  H      -6.443091      0.865209      3.471310
  H     -10.718155      2.469873      3.009488
  H     -11.950291      4.453783      3.903040
  H     -10.779559      6.110655      5.344989
  H      -8.385757      5.829890      5.889056
  H       0.668448      1.489601      3.562358
  H      -1.022894      1.856222      3.222921
  H      -0.042506     -0.172042      5.344032
  H      -1.684433     -1.653734      4.741270
  H      -4.143912      1.642724      1.265992
  H      -6.136088     -2.442648      0.707748
  H      -5.719475     -4.743676      1.596719
  H      -3.821414     -5.151894      3.154753
  H      -2.372724     -3.304886      3.879380
  H      -3.100902     -0.564870      7.619502
  H      -3.729298      0.366120      6.281650
  H      -4.448754      1.371810      9.073428
  H      -6.701807      1.006581      8.577698
  H      -5.543211     -2.333989      4.516791
  H     -10.038056     -1.528067      4.148711
  H     -11.636740      0.056103      5.243330
  H     -10.830160      1.615810      7.008352
  H      -8.483484      1.581235      7.736607
  N      -3.260235      2.768913      4.477903
  H      -3.154930      3.667818      3.993201
  H      -4.292739      2.650982      4.608781
  H      -2.996290      2.037909      3.778686
93
Coordinates from ORCA-job orca E -6201.165524960699
  N      -2.484430      4.657413      6.948928
  Mo     -1.957075      2.850946      6.255066
  N      -2.412743      1.424984      7.493447
  C      -1.600169      1.231097      8.693017
  C      -0.881921      2.534104      9.027054
  N      -0.387950      3.163468      7.770056
  C      -0.224543      4.638539      7.882805
  C      -1.589090      5.301313      7.909476
  C       0.853858      2.511408      7.264895
  C       0.956414      2.719964      5.758294
  N      -0.349843      2.481341      5.134462
  H      -1.467815      6.378193      7.687710
  H      -2.028728      5.249259      8.926942
  H       0.334656      4.966002      6.995594
  H       0.369680      4.897622      8.775255
  H       1.718732      2.030548      5.360558
  H       1.314950      3.740655      5.529038
  H       0.762594      1.437201      7.475879
  H       1.735039      2.898054      7.805326
  H      -2.226919      0.942336      9.555122
  H      -0.884443      0.400004      8.538885
  H      -1.594335      3.234939      9.480975
  H      -0.049432      2.377304      9.733016
  C      -3.841041      5.196357      7.076984
  C      -4.869173      4.314867      6.454812
  C      -5.912049      4.716203      5.709478
  C      -6.790261      3.761405      5.023263
  N      -6.224181      2.628168      4.593388
  C      -6.982755      1.778209      3.856390
  N      -8.237732      1.942500      3.490968
  C      -8.860287      3.064218      3.958214
  C     -10.225983      3.274475      3.648437
  C     -10.881111      4.385546      4.136810
  C     -10.203002      5.328581      4.947119
  C      -8.868488      5.156733      5.252670
  C      -8.168120      4.027922      4.760059
  C      -0.350351      1.569837      3.975097
  C      -0.642218      0.181607      4.469949
  C      -1.605171     -0.710926      4.144074
  C      -2.668812     -0.624548      3.145337
  N      -2.984489      0.565472      2.619517
  C      -4.000578      0.623629      1.724426
  N      -4.771450     -0.364252      1.320941
  C      -4.488550     -1.596039      1.841695
  C      -5.299634     -2.693290      1.464763
  C      -5.029434     -3.953411      1.954241
  C      -3.937270     -4.164179      2.828083
  C      -3.137547     -3.110025      3.221669
  C      -3.401000     -1.797433      2.754652
  C      -3.486137      0.447927      7.299664
  C      -4.686509      0.804898      8.126291
  C      -5.989683      0.575561      7.860364
  C      -6.534562     -0.174563      6.732379
  N      -5.718227     -0.993417      6.058892
  C      -6.258833     -1.726585      5.054931
  N      -7.520312     -1.765441      4.669140
  C      -8.374302     -0.920919      5.321635
  C      -9.734276     -0.886955      4.928621
  C     -10.605411     -0.004108      5.529481
  C     -10.151813      0.876731      6.538870
  C      -8.835870      0.851712      6.953997
  C      -7.918872     -0.058049      6.369941
  H      -3.905153      6.221750      6.665644
  H      -4.075977      5.286305      8.161056
  H      -4.749481      3.239691      6.633811
  H      -6.105585      5.782016      5.559520
  H      -6.480822      0.868464      3.514088
  H     -10.731800      2.530954      3.031512
  H     -11.935134      4.542764      3.901945
  H     -10.742869      6.195807      5.329811
  H      -8.353791      5.881925      5.884402
  H       0.646540      1.580703      3.497763
  H      -1.064940      1.899899      3.215703
  H       0.038835     -0.134109      5.268753
  H      -1.585842     -1.645381      4.705728
  H      -4.204351      1.616182      1.308999
  H      -6.130339     -2.504426      0.784181
  H      -5.658132     -4.797191      1.666311
  H      -3.728425     -5.169792      3.195454
  H      -2.300020     -3.298718      3.892207
  H      -3.125041     -0.567160      7.557868
  H      -3.757005      0.384686      6.236293
  H      -4.460530      1.371762      9.035671
  H      -6.715803      0.984061      8.564326
  H      -5.558202     -2.374076      4.519066
  H     -10.051661     -1.558854      4.130527
  H     -11.650606      0.028816      5.217720
  H     -10.848545      1.586351      6.987579
  H      -8.505186      1.548569      7.724388
  N      -3.279020      2.790310      4.472930
  H      -3.181818      3.686419      3.981751
  H      -4.309399      2.669191      4.617451
  H      -3.019293      2.055679      3.775695
93
Coordinates from ORCA-job orca E -6201.166014222241
  N      -2.477861      4.668774      6.955162
  Mo     -1.966039      2.863871      6.245778
  N      -2.430524      1.426920      7.468102
  C      -1.625604      1.223967      8.671589
  C      -0.901108      2.520371      9.015869
  N      -0.396848      3.152805      7.764899
  C      -0.218300      4.624936      7.887168
  C      -1.576496      5.300796      7.917627
  C       0.838019      2.489905      7.257741
  C       0.948926      2.709942      5.753632
  N      -0.358922      2.501062      5.122075
  H      -1.445108      6.377224      7.699463
  H      -2.016032      5.249342      8.935101
  H       0.344894      4.952246      7.002502
  H       0.377777      4.872169      8.781758
  H       1.700111      2.010137      5.352399
  H       1.326665      3.725556      5.533292
  H       0.733432      1.415138      7.458978
  H       1.722345      2.861381      7.803616
  H      -2.258711      0.935559      9.529165
  H      -0.915114      0.388412      8.518157
  H      -1.612625      3.222871      9.468691
  H      -0.073868      2.355441      9.726094
  C      -3.830365      5.216975      7.079793
  C      -4.864105      4.329097      6.475075
  C      -5.898207      4.728840      5.716662
  C      -6.789201      3.778966      5.040960
  N      -6.237234      2.634211      4.623291
  C      -7.006827      1.787783      3.892646
  N      -8.259212      1.964874      3.525412
  C      -8.867450      3.099517      3.980816
  C     -10.229664      3.325093      3.667847
  C     -10.868549      4.452574      4.140365
  C     -10.177290      5.396701      4.937860
  C      -8.845999      5.208860      5.248106
  C      -8.162473      4.062915      4.771949
  C      -0.359176      1.609175      3.947068
  C      -0.598443      0.204965      4.424647
  C      -1.554598     -0.702232      4.117643
  C      -2.648963     -0.623305      3.152641
  N      -2.990786      0.564984      2.638526
  C      -4.025198      0.613773      1.764379
  N      -4.788382     -0.382146      1.367164
  C      -4.482626     -1.611901      1.879060
  C      -5.286521     -2.717068      1.509890
  C      -4.998550     -3.974709      1.994994
  C      -3.896160     -4.174626      2.858226
  C      -3.101269     -3.113250      3.242205
  C      -3.380204     -1.802806      2.776789
  C      -3.505867      0.454129      7.267879
  C      -4.703293      0.803897      8.103288
  C      -6.005570      0.558798      7.849416
  C      -6.547053     -0.205118      6.728682
  N      -5.724883     -1.025136      6.064211
  C      -6.259039     -1.767522      5.063369
  N      -7.517794     -1.809331      4.669525
  C      -8.377233     -0.962749      5.312173
  C      -9.734365     -0.930399      4.908789
  C     -10.610003     -0.046308      5.501182
  C     -10.164904      0.836447      6.512566
  C      -8.852362      0.813187      6.937808
  C      -7.930154     -0.096266      6.360957
  H      -3.892229      6.235223      6.650864
  H      -4.060675      5.325961      8.162897
  H      -4.756786      3.257907      6.683200
  H      -6.073527      5.794696      5.544937
  H      -6.515545      0.869743      3.556769
  H     -10.746015      2.581286      3.060070
  H     -11.919815      4.622267      3.902082
  H     -10.704892      6.277116      5.307191
  H      -8.320177      5.933855      5.870757
  H       0.623935      1.661346      3.444327
  H      -1.104870      1.928402      3.214448
  H       0.116704     -0.109382      5.193587
  H      -1.496061     -1.644002      4.663824
  H      -4.251797      1.605945      1.360092
  H      -6.127785     -2.535416      0.840486
  H      -5.622297     -4.824266      1.713474
  H      -3.674332     -5.177590      3.225124
  H      -2.255866     -3.295811      3.904485
  H      -3.146374     -0.564283      7.513895
  H      -3.781859      0.403155      6.205073
  H      -4.476296      1.379605      9.006736
  H      -6.732341      0.964342      8.554356
  H      -5.554071     -2.419188      4.538368
  H     -10.046615     -1.604410      4.110524
  H     -11.652743     -0.014704      5.181240
  H     -10.865446      1.546133      6.955137
  H      -8.527721      1.511546      7.709295
  N      -3.301784      2.803629      4.472931
  H      -3.212519      3.694151      3.970797
  H      -4.329712      2.681481      4.633235
  H      -3.047926      2.059262      3.784268
93
Coordinates from ORCA-job orca E -6201.166376090431
  N      -2.470158      4.679132      6.961129
  Mo     -1.974524      2.875593      6.236438
  N      -2.448411      1.427542      7.441290
  C      -1.651216      1.212757      8.648287
  C      -0.921095      2.502310      9.005377
  N      -0.405648      3.139628      7.761971
  C      -0.212557      4.608658      7.895338
  C      -1.564357      5.298019      7.927779
  C       0.822601      2.466367      7.253295
  C       0.942838      2.697413      5.751723
  N      -0.366576      2.517709      5.113090
  H      -1.421857      6.374043      7.714456
  H      -2.005787      5.246586      8.944360
  H       0.355698      4.936585      7.014184
  H       0.383992      4.843549      8.792991
  H       1.682727      1.987325      5.347394
  H       1.339373      3.707677      5.539852
  H       0.704325      1.391149      7.443745
  H       1.709767      2.822495      7.804830
  H      -2.290907      0.922882      9.500487
  H      -0.945518      0.373407      8.493300
  H      -1.631543      3.205762      9.458476
  H      -0.099774      2.327279      9.720194
  C      -3.818185      5.239783      7.080376
  C      -4.859307      4.349606      6.490135
  C      -5.885452      4.748751      5.720349
  C      -6.789310      3.803356      5.055659
  N      -6.252848      2.645818      4.653064
  C      -7.033199      1.801644      3.930608
  N      -8.282848      1.991140      3.561154
  C      -8.876019      3.139590      4.002348
  C     -10.235403      3.378736      3.687708
  C     -10.858512      4.521553      4.144603
  C     -10.153819      5.467834      4.927323
  C      -8.825199      5.266095      5.240320
  C      -8.157932      4.103850      4.780897
  C      -0.367849      1.649051      3.920725
  C      -0.556008      0.229759      4.377248
  C      -1.503466     -0.692033      4.086243
  C      -2.628838     -0.622571      3.157595
  N      -3.003460      0.562879      2.659605
  C      -4.057952      0.599120      1.809323
  N      -4.808742     -0.407964      1.416982
  C      -4.472738     -1.634936      1.916616
  C      -5.263715     -2.751560      1.554143
  C      -4.950611     -4.005799      2.032333
  C      -3.835562     -4.190101      2.882514
  C      -3.050834     -3.117865      3.257122
  C      -3.353200     -1.811021      2.796044
  C      -3.527073      0.460400      7.232471
  C      -4.720964      0.804283      8.076509
  C      -6.022474      0.545013      7.834809
  C      -6.562590     -0.230976      6.721722
  N      -5.737471     -1.055073      6.066003
  C      -6.268396     -1.808047      5.071339
  N      -7.525825     -1.853320      4.673650
  C      -8.388307     -1.003419      5.307751
  C      -9.743840     -0.973900      4.898802
  C     -10.622438     -0.087862      5.483887
  C     -10.182760      0.798760      6.494181
  C      -8.871947      0.778825      6.924609
  C      -7.945928     -0.130327      6.353080
  H      -3.873692      6.251445      6.635342
  H      -4.045380      5.367100      8.161977
  H      -4.765723      3.282017      6.724058
  H      -6.043594      5.814026      5.528551
  H      -6.552969      0.874002      3.604805
  H     -10.762477      2.633641      3.090769
  H     -11.907620      4.701899      3.904605
  H     -10.669195      6.360944      5.283220
  H      -8.288462      5.992028      5.852530
  H       0.600256      1.742107      3.395266
  H      -1.142178      1.958216      3.214306
  H       0.191921     -0.083362      5.114917
  H      -1.403563     -1.642133      4.611539
  H      -4.312989      1.590302      1.419591
  H      -6.117065     -2.580577      0.897363
  H      -5.564898     -4.864071      1.756463
  H      -3.594920     -5.189573      3.247125
  H      -2.195629     -3.289764      3.909616
  H      -3.170241     -0.562007      7.464549
  H      -3.807797      0.424075      6.170091
  H      -4.492197      1.387001      8.974970
  H      -6.749252      0.946790      8.541998
  H      -5.561745     -2.465123      4.555472
  H     -10.053345     -1.652016      4.102939
  H     -11.663895     -0.058787      5.159496
  H     -10.886176      1.508547      6.932039
  H      -8.550762      1.479938      7.695007
  N      -3.319284      2.820717      4.469859
  H      -3.235205      3.709508      3.964297
  H      -4.345285      2.695440      4.638776
  H      -3.065409      2.072444      3.785815
93
Coordinates from ORCA-job orca E -6201.166596065804
  N      -2.461013      4.692330      6.963599
  Mo     -1.981376      2.884110      6.241047
  N      -2.467457      1.439405      7.444326
  C      -1.677470      1.222766      8.655601
  C      -0.940312      2.507771      9.009874
  N      -0.414360      3.135324      7.765891
  C      -0.204727      4.602296      7.895739
  C      -1.549361      5.307448      7.926312
  C       0.806607      2.445696      7.262807
  C       0.935023      2.671848      5.762069
  N      -0.375635      2.513988      5.119906
  H      -1.394274      6.380364      7.706367
  H      -1.990249      5.267326      8.943486
  H       0.367301      4.921614      7.013932
  H       0.394470      4.831679      8.792977
  H       1.663386      1.947906      5.361523
  H       1.349502      3.674255      5.547683
  H       0.673705      1.372431      7.453995
  H       1.696303      2.792205      7.816163
  H      -2.323323      0.940784      9.505679
  H      -0.977355      0.377973      8.506231
  H      -1.647994      3.218439      9.455956
  H      -0.123618      2.330334      9.729395
  C      -3.802880      5.269580      7.066259
  C      -4.850109      4.371926      6.497554
  C      -5.865460      4.761616      5.708887
  C      -6.779106      3.815094      5.060241
  N      -6.256006      2.644553      4.679076
  C      -7.046062      1.796975      3.970597
  N      -8.293972      1.993654      3.599326
  C      -8.873822      3.157088      4.019094
  C     -10.230997      3.405252      3.702066
  C     -10.839652      4.564688      4.135902
  C     -10.122555      5.518920      4.897011
  C      -8.796292      5.307746      5.213447
  C      -8.143519      4.128037      4.777962
  C      -0.370695      1.665968      3.912233
  C      -0.532588      0.232925      4.337896
  C      -1.476002     -0.693124      4.044841
  C      -2.620316     -0.620519      3.139795
  N      -3.014352      0.567813      2.664470
  C      -4.079469      0.605326      1.827940
  N      -4.819410     -0.404200      1.422118
  C      -4.467258     -1.634378      1.902465
  C      -5.249475     -2.752871      1.527581
  C      -4.927728     -4.009508      1.992980
  C      -3.813119     -4.193719      2.843351
  C      -3.034282     -3.120500      3.226913
  C      -3.342808     -1.810660      2.775965
  C      -3.549927      0.477399      7.234398
  C      -4.742400      0.824860      8.079967
  C      -6.042082      0.548960      7.849529
  C      -6.576186     -0.250105      6.750320
  N      -5.741998     -1.074583      6.106955
  C      -6.263186     -1.845257      5.121062
  N      -7.517759     -1.901100      4.715220
  C      -8.389136     -1.050196      5.335644
  C      -9.741376     -1.029906      4.915825
  C     -10.629450     -0.145572      5.489082
  C     -10.203291      0.747715      6.499114
  C      -8.895794      0.737962      6.939346
  C      -7.959418     -0.166474      6.377462
  H      -3.848970      6.268805      6.593189
  H      -4.030127      5.428077      8.143414
  H      -4.772446      3.312082      6.770417
  H      -6.005016      5.823412      5.485096
  H      -6.574282      0.860292      3.658088
  H     -10.767955      2.654199      3.121647
  H     -11.887080      4.751916      3.894050
  H     -10.626741      6.425430      5.234449
  H      -8.250271      6.039119      5.810714
  H       0.592691      1.787316      3.383536
  H      -1.155752      1.974796      3.217972
  H       0.232569     -0.088905      5.053638
  H      -1.351248     -1.653505      4.545203
  H      -4.355518      1.600173      1.463050
  H      -6.105092     -2.580751      0.874178
  H      -5.535908     -4.869187      1.708317
  H      -3.567552     -5.194392      3.201232
  H      -2.179983     -3.294317      3.879905
  H      -3.196448     -0.546417      7.463468
  H      -3.831969      0.446000      6.172481
  H      -4.514192      1.424982      8.966931
  H      -6.771037      0.954835      8.552085
  H      -5.551276     -2.507026      4.618682
  H     -10.041568     -1.714990      4.122367
  H     -11.668396     -0.124126      5.156323
  H     -10.914915      1.453855      6.929382
  H      -8.584547      1.443568      7.709584
  N      -3.329856      2.826531      4.473427
  H      -3.252189      3.708931      3.956680
  H      -4.353482      2.700069      4.655642
  H      -3.077676      2.067263      3.801592
93
Coordinates from ORCA-job orca E -6201.166740375516
  N      -2.451330      4.700273      6.958640
  Mo     -1.987781      2.892167      6.225176
  N      -2.481987      1.438796      7.415076
  C      -1.698659      1.211255      8.629826
  C      -0.955363      2.489164      8.996494
  N      -0.418121      3.122232      7.760191
  C      -0.198575      4.586562      7.901132
  C      -1.538299      5.302306      7.929214
  C       0.798077      2.426521      7.255240
  C       0.933972      2.661087      5.756270
  N      -0.378229      2.525472      5.109655
  H      -1.373159      6.375064      7.715808
  H      -1.984778      5.260440      8.943737
  H       0.379454      4.907473      7.023820
  H       0.398127      4.806787      8.802365
  H       1.651975      1.928344      5.353342
  H       1.363457      3.658547      5.547841
  H       0.655038      1.352791      7.436076
  H       1.689623      2.760755      7.813177
  H      -2.350849      0.926973      9.474268
  H      -1.002243      0.363689      8.478555
  H      -1.660535      3.201130      9.444601
  H      -0.145037      2.299835      9.720544
  C      -3.789022      5.291708      7.058028
  C      -4.849466      4.398031      6.503788
  C      -5.859676      4.790428      5.709285
  C      -6.784627      3.847414      5.070238
  N      -6.275814      2.669641      4.692060
  C      -7.075583      1.828463      3.986792
  N      -8.322060      2.036764      3.617759
  C      -8.888448      3.207544      4.035292
  C     -10.244165      3.467932      3.721329
  C     -10.839713      4.635360      4.151790
  C     -10.110130      5.586343      4.904950
  C      -8.785052      5.363263      5.218027
  C      -8.145737      4.174376      4.787281
  C      -0.374086      1.697639      3.888065
  C      -0.484664      0.255826      4.297814
  C      -1.418372     -0.683021      4.020761
  C      -2.593375     -0.618044      3.156291
  N      -3.016035      0.567462      2.699694
  C      -4.111956      0.598085      1.903648
  N      -4.853657     -0.418304      1.517917
  C      -4.471855     -1.646535      1.981944
  C      -5.254104     -2.772034      1.628826
  C      -4.907253     -4.026031      2.083940
  C      -3.766484     -4.199412      2.901351
  C      -2.985642     -3.119193      3.260405
  C      -3.318158     -1.813261      2.817970
  C      -3.563043      0.475578      7.193995
  C      -4.756657      0.807425      8.044606
  C      -6.053316      0.511997      7.820876
  C      -6.583341     -0.291755      6.723188
  N      -5.745781     -1.113813      6.080870
  C      -6.262517     -1.883709      5.091954
  N      -7.515280     -1.938920      4.680106
  C      -8.390267     -1.091587      5.300228
  C      -9.740230     -1.070466      4.873878
  C     -10.633105     -0.191978      5.448778
  C     -10.214056      0.694248      6.467939
  C      -8.908289      0.684654      6.913382
  C      -7.966782     -0.212483      6.348623
  H      -3.825233      6.284849      6.571510
  H      -4.010592      5.466948      8.133572
  H      -4.786378      3.342293      6.794891
  H      -5.984743      5.851012      5.471620
  H      -6.612676      0.887729      3.674617
  H     -10.790604      2.719703      3.146122
  H     -11.886190      4.831569      3.912880
  H     -10.603509      6.500148      5.238705
  H      -8.229543      6.092497      5.809293
  H       0.573267      1.857392      3.340975
  H      -1.183063      1.991111      3.214369
  H       0.309515     -0.060550      4.983752
  H      -1.261267     -1.647427      4.504187
  H      -4.412642      1.592022      1.555840
  H      -6.130458     -2.606888      1.001598
  H      -5.515116     -4.891421      1.816369
  H      -3.501642     -5.197371      3.253135
  H      -2.110614     -3.285405      3.887328
  H      -3.205380     -0.550250      7.406270
  H      -3.846376      0.459798      6.131447
  H      -4.533068      1.410878      8.930515
  H      -6.784623      0.906670      8.527444
  H      -5.550061     -2.547629      4.593094
  H     -10.035545     -1.751350      4.074924
  H     -11.670412     -0.170238      5.110915
  H     -10.929970      1.394456      6.900780
  H      -8.601816      1.384753      7.690531
  N      -3.349349      2.834314      4.472469
  H      -3.270530      3.718960      3.959786
  H      -4.372019      2.705962      4.653903
  H      -3.094740      2.075878      3.799637
93
Coordinates from ORCA-job orca E -6201.166868581993
  N      -2.439799      4.711967      6.955834
  Mo     -1.991619      2.895711      6.234926
  N      -2.498477      1.452025      7.430481
  C      -1.720536      1.222998      8.648101
  C      -0.966757      2.496755      9.008206
  N      -0.423626      3.118296      7.768492
  C      -0.190662      4.581470      7.903495
  C      -1.523669      5.310717      7.925289
  C       0.786910      2.409167      7.268444
  C       0.926967      2.636229      5.769101
  N      -0.386614      2.511887      5.122505
  H      -1.347090      6.380341      7.705704
  H      -1.972430      5.279029      8.939053
  H       0.391602      4.893182      7.025649
  H       0.406512      4.799700      8.804821
  H       1.637547      1.893997      5.370652
  H       1.367116      3.628177      5.556028
  H       0.632387      1.337617      7.453061
  H       1.680593      2.736991      7.826599
  H      -2.377233      0.949498      9.492516
  H      -1.031282      0.368692      8.502625
  H      -1.665936      3.217346      9.451943
  H      -0.158203      2.304959      9.733511
  C      -3.769778      5.322435      7.039555
  C      -4.839112      4.429127      6.502552
  C      -5.840312      4.815098      5.693995
  C      -6.776187      3.869122      5.076101
  N      -6.279751      2.679121      4.722250
  C      -7.088820      1.829551      4.038483
  N      -8.335380      2.040362      3.670817
  C      -8.889388      3.225840      4.063521
  C     -10.244688      3.490166      3.750007
  C     -10.828946      4.671459      4.156939
  C     -10.088055      5.632869      4.885640
  C      -8.763424      5.405789      5.197620
  C      -8.135458      4.202505      4.790670
  C      -0.385218      1.707998      3.885273
  C      -0.480073      0.257310      4.266595
  C      -1.405701     -0.687251      3.980992
  C      -2.594926     -0.624036      3.134914
  N      -3.038268      0.562200      2.700141
  C      -4.146297      0.589998      1.920937
  N      -4.880209     -0.430288      1.530512
  C      -4.475799     -1.659821      1.970967
  C      -5.247623     -2.790218      1.610544
  C      -4.878283     -4.046197      2.041410
  C      -3.724315     -4.216822      2.840526
  C      -2.952823     -3.132059      3.205600
  C      -3.308738     -1.823710      2.788706
  C      -3.584207      0.494099      7.208543
  C      -4.780886      0.830582      8.052241
  C      -6.074645      0.523015      7.829279
  C      -6.594148     -0.297434      6.739226
  N      -5.747199     -1.123082      6.113687
  C      -6.253182     -1.911563      5.134269
  N      -7.502659     -1.979181      4.713984
  C      -8.387010     -1.129189      5.317334
  C      -9.733893     -1.121318      4.881294
  C     -10.637032     -0.243280      5.440699
  C     -10.231278      0.655739      6.454124
  C      -8.928364      0.660288      6.907852
  C      -7.976345     -0.234482      6.357779
  H      -3.792851      6.304817      6.531051
  H      -3.991619      5.523546      8.110312
  H      -4.792966      3.379607      6.822628
  H      -5.950554      5.870840      5.428649
  H      -6.634817      0.878565      3.744837
  H     -10.799706      2.733523      3.194345
  H     -11.875057      4.870395      3.918584
  H     -10.572058      6.557999      5.201525
  H      -8.199907      6.143680      5.770362
  H       0.556605      1.884062      3.333354
  H      -1.201196      2.009576      3.223991
  H       0.324770     -0.065695      4.936717
  H      -1.229832     -1.658738      4.443174
  H      -4.465452      1.584930      1.593193
  H      -6.134179     -2.627107      0.997285
  H      -5.477994     -4.915491      1.768153
  H      -3.441676     -5.216508      3.173070
  H      -2.066700     -3.296258      3.817111
  H      -3.232574     -0.533435      7.422454
  H      -3.862218      0.478731      6.144815
  H      -4.562764      1.448791      8.929297
  H      -6.810709      0.921141      8.529090
  H      -5.535340     -2.580908      4.650111
  H     -10.018629     -1.813293      4.087963
  H     -11.672095     -0.232405      5.095508
  H     -10.955398      1.354227      6.875984
  H      -8.632521      1.369666      7.680759
  N      -3.351552      2.836692      4.478916
  H      -3.279451      3.721575      3.965806
  H      -4.372203      2.703661      4.670939
  H      -3.095033      2.080031      3.804594
93
Coordinates from ORCA-job orca E -6201.166964867116
  N      -2.436648      4.716684      6.948256
  Mo     -1.996184      2.892551      6.244128
  N      -2.512463      1.460674      7.452700
  C      -1.736051      1.237916      8.672021
  C      -0.976476      2.510805      9.021705
  N      -0.429456      3.119866      7.777193
  C      -0.191303      4.583121      7.901139
  C      -1.520310      5.319018      7.914472
  C       0.779887      2.403882      7.285130
  C       0.922140      2.616514      5.784206
  N      -0.391302      2.488604      5.140617
  H      -1.337171      6.385716      7.686015
  H      -1.971175      5.298444      8.927609
  H       0.394021      4.885333      7.021903
  H       0.405442      4.805092      8.801842
  H       1.630422      1.867682      5.393587
  H       1.365831      3.604779      5.561071
  H       0.622342      1.334534      7.479978
  H       1.673102      2.734823      7.842054
  H      -2.395028      0.974464      9.517929
  H      -1.050413      0.379270      8.534480
  H      -1.671689      3.238998      9.459274
  H      -0.168564      2.321681      9.748449
  C      -3.760496      5.340796      7.013977
  C      -4.835221      4.446462      6.490026
  C      -5.827455      4.825774      5.667076
  C      -6.767884      3.876162      5.060508
  N      -6.277335      2.680729      4.716352
  C      -7.092796      1.828878      4.042517
  N      -8.340860      2.040599      3.679865
  C      -8.888833      3.231285      4.065132
  C     -10.244472      3.498595      3.755057
  C     -10.820862      4.687679      4.150601
  C     -10.071664      5.653597      4.865003
  C      -8.746963      5.422893      5.174209
  C      -8.126988      4.212209      4.777842
  C      -0.383932      1.701116      3.892632
  C      -0.470595      0.244706      4.250248
  C      -1.391412     -0.700071      3.950392
  C      -2.588184     -0.628876      3.114698
  N      -3.042698      0.561868      2.704733
  C      -4.161735      0.596520      1.941378
  N      -4.894715     -0.421074      1.542692
  C      -4.476382     -1.655893      1.954422
  C      -5.245764     -2.784235      1.582332
  C      -4.863471     -4.045558      1.985332
  C      -3.698945     -4.223297      2.767554
  C      -2.929785     -3.140640      3.143597
  C      -3.298474     -1.827005      2.755121
  C      -3.598532      0.502043      7.235286
  C      -4.796324      0.843265      8.074748
  C      -6.088786      0.527180      7.855071
  C      -6.603853     -0.304464      6.770998
  N      -5.750898     -1.123316      6.144881
  C      -6.251511     -1.915854      5.165858
  N      -7.498439     -1.985439      4.738477
  C      -8.388477     -1.140979      5.341286
  C      -9.733534     -1.136116      4.899339
  C     -10.644162     -0.268461      5.463024
  C     -10.248007      0.622168      6.487668
  C      -8.946716      0.630291      6.946098
  C      -7.986750     -0.252018      6.390107
  H      -3.772991      6.312586      6.485145
  H      -3.984535      5.565364      8.079448
  H      -4.801789      3.405521      6.832996
  H      -5.925364      5.877344      5.381128
  H      -6.642886      0.874634      3.752569
  H     -10.805278      2.738521      3.209923
  H     -11.866964      4.889411      3.914506
  H     -10.549269      6.584682      5.172997
  H      -8.177836      6.164649      5.736407
  H       0.559484      1.889784      3.346795
  H      -1.198570      2.007606      3.232311
  H       0.340053     -0.087446      4.908536
  H      -1.207801     -1.679183      4.393134
  H      -4.493832      1.595223      1.638877
  H      -6.140732     -2.615516      0.982993
  H      -5.460946     -4.913683      1.703565
  H      -3.406445     -5.227398      3.077560
  H      -2.034923     -3.311067      3.740720
  H      -3.247127     -0.524240      7.454890
  H      -3.874504      0.481352      6.171140
  H      -4.580927      1.473523      8.943952
  H      -6.826099      0.931012      8.550163
  H      -5.530147     -2.582069      4.682977
  H     -10.010750     -1.823353      4.099233
  H     -11.677814     -0.259891      5.113553
  H     -10.978539      1.310994      6.914367
  H      -8.658663      1.333023      7.727869
  N      -3.348952      2.823908      4.483593
  H      -3.275179      3.704159      3.962771
  H      -4.370436      2.696233      4.673982
  H      -3.093678      2.060055      3.817195
93
Coordinates from ORCA-job orca E -6201.167047804372
  N      -2.431138      4.722317      6.944034
  Mo     -1.997950      2.892593      6.251711
  N      -2.521170      1.470161      7.469937
  C      -1.744374      1.247539      8.688573
  C      -0.976496      2.517583      9.031244
  N      -0.429978      3.119043      7.782346
  C      -0.187284      4.582436      7.900776
  C      -1.513265      5.323706      7.909766
  C       0.777813      2.398860      7.292702
  C       0.918504      2.604234      5.790503
  N      -0.395856      2.473152      5.150414
  H      -1.324987      6.388748      7.678051
  H      -1.965526      5.308267      8.922321
  H       0.399798      4.878975      7.020763
  H       0.409494      4.805628      8.801096
  H       1.625574      1.852150      5.403600
  H       1.363247      3.590601      5.561201
  H       0.618601      1.330789      7.493582
  H       1.671636      2.730892      7.847732
  H      -2.403536      0.991429      9.536616
  H      -1.063635      0.384566      8.553947
  H      -1.665811      3.251759      9.468215
  H      -0.166831      2.327376      9.755508
  C      -3.749214      5.359914      6.997825
  C      -4.831749      4.469403      6.482790
  C      -5.817005      4.845974      5.650479
  C      -6.765111      3.894780      5.057878
  N      -6.282547      2.693731      4.722461
  C      -7.105637      1.840721      4.059297
  N      -8.354077      2.055824      3.700433
  C      -8.894212      3.252654      4.077789
  C     -10.250208      3.523754      3.772942
  C     -10.818988      4.718469      4.162246
  C     -10.061497      5.686069      4.865514
  C      -8.736219      5.451421      5.169369
  C      -8.124169      4.234786      4.779337
  C      -0.382521      1.700605      3.892875
  C      -0.463220      0.240106      4.233236
  C      -1.381529     -0.705469      3.927965
  C      -2.586207     -0.631200      3.103610
  N      -3.041533      0.560870      2.698513
  C      -4.172351      0.599496      1.953139
  N      -4.917797     -0.414824      1.570490
  C      -4.496811     -1.651294      1.973947
  C      -5.278025     -2.776165      1.616582
  C      -4.891386     -4.039460      2.008694
  C      -3.710168     -4.222884      2.763891
  C      -2.930027     -3.143679      3.126669
  C      -3.303800     -1.827541      2.751083
  C      -3.603229      0.508650      7.248547
  C      -4.808957      0.847873      8.076302
  C      -6.097466      0.521566      7.847853
  C      -6.598674     -0.317717      6.763075
  N      -5.733663     -1.125894      6.139586
  C      -6.221074     -1.923154      5.157881
  N      -7.465071     -2.006417      4.724801
  C      -8.367782     -1.173882      5.325683
  C      -9.710630     -1.183111      4.877132
  C     -10.634131     -0.328149      5.439181
  C     -10.253090      0.564113      6.467997
  C      -8.953856      0.586985      6.931489
  C      -7.980878     -0.282098      6.377566
  H      -3.751320      6.324659      6.456157
  H      -3.973877      5.600312      8.059576
  H      -4.811699      3.434263      6.841087
  H      -5.903887      5.893640      5.347098
  H      -6.662330      0.882077      3.774276
  H     -10.817108      2.761937      3.236707
  H     -11.865209      4.923514      3.929913
  H     -10.532847      6.621662      5.169241
  H      -8.161305      6.194937      5.723197
  H       0.561954      1.898100      3.351575
  H      -1.195774      2.011863      3.233537
  H       0.351561     -0.097122      4.883634
  H      -1.193596     -1.687841      4.361419
  H      -4.502192      1.599239      1.651188
  H      -6.184682     -2.603309      1.036427
  H      -5.497558     -4.905100      1.738326
  H      -3.413489     -5.229060      3.062825
  H      -2.021876     -3.319309      3.701755
  H      -3.251403     -0.516481      7.472863
  H      -3.870631      0.484016      6.182456
  H      -4.604457      1.485426      8.942721
  H      -6.841879      0.924042      8.535865
  H      -5.490877     -2.583266      4.679194
  H      -9.975495     -1.871483      4.073864
  H     -11.666190     -0.330782      5.085177
  H     -10.993738      1.242621      6.893599
  H      -8.677758      1.291571      7.715714
  N      -3.349382      2.819819      4.490317
  H      -3.277262      3.700384      3.969903
  H      -4.370829      2.693783      4.683781
  H      -3.095585      2.055973      3.823018
93
Coordinates from ORCA-job orca E -6201.167097403805
  N      -2.427796      4.723057      6.934819
  Mo     -1.997937      2.887705      6.256639
  N      -2.527450      1.475064      7.484876
  C      -1.750358      1.253479      8.703029
  C      -0.975548      2.520567      9.039633
  N      -0.429512      3.115699      7.787081
  C      -0.185595      4.579716      7.900374
  C      -1.510973      5.322551      7.903956
  C       0.777412      2.392637      7.299242
  C       0.917165      2.593431      5.796169
  N      -0.397552      2.458692      5.158147
  H      -1.320394      6.387291      7.672657
  H      -1.967090      5.307929      8.914870
  H       0.403556      4.872258      7.020343
  H       0.409625      4.805880      8.801038
  H       1.624316      1.839696      5.412119
  H       1.362196      3.578892      5.563066
  H       0.617591      1.325279      7.503972
  H       1.671890      2.725251      7.852943
  H      -2.409461      1.003899      9.553286
  H      -1.073921      0.386599      8.571063
  H      -1.660314      3.259424      9.476107
  H      -0.164560      2.329302      9.762043
  C      -3.741710      5.371722      6.978885
  C      -4.831702      4.487043      6.468376
  C      -5.810427      4.864027      5.629143
  C      -6.765085      3.911431      5.047964
  N      -6.286832      2.706443      4.721394
  C      -7.116127      1.848489      4.071737
  N      -8.366993      2.062130      3.720324
  C      -8.902091      3.263880      4.089301
  C     -10.259050      3.535811      3.789372
  C     -10.821600      4.737185      4.167326
  C     -10.056565      5.711011      4.853947
  C      -8.730079      5.475755      5.152429
  C      -8.124568      4.252371      4.773467
  C      -0.384421      1.698471      3.893660
  C      -0.456907      0.235823      4.225186
  C      -1.373201     -0.711174      3.918538
  C      -2.585270     -0.632915      3.105217
  N      -3.048724      0.561378      2.715967
  C      -4.188578      0.602481      1.983923
  N      -4.937618     -0.410738      1.605055
  C      -4.505926     -1.649520      1.989294
  C      -5.287135     -2.774525      1.631839
  C      -4.886931     -4.040181      2.002286
  C      -3.691828     -4.226104      2.735125
  C      -2.912483     -3.146673      3.099127
  C      -3.300666     -1.828508      2.746687
  C      -3.605753      0.510701      7.260028
  C      -4.816261      0.847105      8.081615
  C      -6.103145      0.518055      7.846927
  C      -6.598384     -0.321958      6.759944
  N      -5.728476     -1.124417      6.136056
  C      -6.210753     -1.921718      5.151708
  N      -7.454041     -2.011235      4.717711
  C      -8.362093     -1.185372      5.319948
  C      -9.705736     -1.204906      4.873610
  C     -10.635060     -0.358624      5.439022
  C     -10.259160      0.535782      6.468070
  C      -8.959350      0.568487      6.929299
  C      -7.980636     -0.293306      6.373564
  H      -3.733846      6.332521      6.430226
  H      -3.967715      5.621751      8.038115
  H      -4.823115      3.454523      6.836259
  H      -5.888553      5.908738      5.313238
  H      -6.676793      0.886569      3.791590
  H     -10.831390      2.769449      3.265343
  H     -11.868526      4.943037      3.938613
  H     -10.523064      6.651819      5.149178
  H      -8.149298      6.224283      5.693419
  H       0.557212      1.903795      3.350511
  H      -1.200918      2.011188      3.238864
  H       0.363575     -0.102640      4.868120
  H      -1.178383     -1.697302      4.340399
  H      -4.523815      1.603719      1.692845
  H      -6.204226     -2.599922      1.068749
  H      -5.493026     -4.906056      1.732173
  H      -3.383639     -5.234385      3.014959
  H      -1.993024     -3.323427      3.655737
  H      -3.253291     -0.513813      7.487351
  H      -3.868004      0.482330      6.192249
  H      -4.617315      1.484150      8.949750
  H      -6.850632      0.918539      8.532727
  H      -5.475590     -2.575129      4.671436
  H      -9.966318     -1.894286      4.069719
  H     -11.667894     -0.369426      5.087177
  H     -11.004318      1.208123      6.895774
  H      -8.687270      1.275593      7.712640
  N      -3.351486      2.807289      4.499132
  H      -3.276113      3.687632      3.978401
  H      -4.374160      2.688213      4.690939
  H      -3.101385      2.042833      3.831017
93
Coordinates from ORCA-job orca E -6201.167122337230
  N      -2.430318      4.723688      6.938297
  Mo     -2.001807      2.887660      6.260515
  N      -2.528275      1.473165      7.488513
  C      -1.747174      1.249531      8.703426
  C      -0.972732      2.517643      9.042278
  N      -0.430777      3.114954      7.789655
  C      -0.187693      4.579267      7.902453
  C      -1.512794      5.321653      7.907828
  C       0.775218      2.391372      7.299840
  C       0.912487      2.591249      5.796373
  N      -0.403221      2.455754      5.159947
  H      -1.322566      6.386829      7.678154
  H      -1.968543      5.305510      8.918903
  H       0.400405      4.871947      7.021794
  H       0.408337      4.805736      8.802543
  H       1.619591      1.837664      5.411703
  H       1.357412      3.576597      5.562340
  H       0.616022      1.324102      7.505339
  H       1.670876      2.724011      7.851708
  H      -2.403374      0.997638      9.555401
  H      -1.070931      0.382942      8.567646
  H      -1.656564      3.255002      9.482681
  H      -0.159591      2.324919      9.761856
  C      -3.742353      5.376383      6.980504
  C      -4.834945      4.494824      6.469655
  C      -5.809220      4.873325      5.625941
  C      -6.766134      3.921713      5.045921
  N      -6.290365      2.713876      4.725047
  C      -7.121891      1.855449      4.078266
  N      -8.371921      2.070903      3.725398
  C      -8.904024      3.275989      4.087977
  C     -10.259850      3.550597      3.786222
  C     -10.818384      4.756275      4.156974
  C     -10.050464      5.731546      4.838017
  C      -8.725009      5.493472      5.139084
  C      -8.123766      4.265806      4.767549
  C      -0.388448      1.704005      3.890147
  C      -0.454697      0.239146      4.214944
  C      -1.370447     -0.709533      3.910792
  C      -2.585855     -0.632966      3.102868
  N      -3.052556      0.560499      2.715010
  C      -4.194153      0.599724      1.985495
  N      -4.943146     -0.414272      1.609408
  C      -4.509254     -1.652420      1.993128
  C      -5.290128     -2.778432      1.638298
  C      -4.887629     -4.043433      2.008600
  C      -3.690733     -4.227493      2.738915
  C      -2.911715     -3.146887      3.100337
  C      -3.301776     -1.829436      2.747539
  C      -3.603728      0.506781      7.261551
  C      -4.814967      0.839735      8.083940
  C      -6.101707      0.510561      7.847731
  C      -6.595319     -0.328336      6.759286
  N      -5.723605     -1.126680      6.132467
  C      -6.204034     -1.922618      5.146087
  N      -7.447542     -2.015973      4.714051
  C      -8.358022     -1.195539      5.319981
  C      -9.702343     -1.219835      4.875764
  C     -10.633881     -0.378069      5.444268
  C     -10.259785      0.516282      6.473944
  C      -8.959414      0.553375      6.933248
  C      -7.978233     -0.303855      6.374494
  H      -3.731366      6.336501      6.430705
  H      -3.968207      5.628407      8.039314
  H      -4.831547      3.463520      6.840005
  H      -5.881671      5.917021      5.305473
  H      -6.684918      0.891325      3.801605
  H     -10.834575      2.783254      3.266256
  H     -11.864423      4.964578      3.926541
  H     -10.514141      6.675633      5.127098
  H      -8.141668      6.242677      5.676317
  H       0.551135      1.917203      3.346853
  H      -1.208214      2.016343      3.238958
  H       0.369448     -0.098841      4.853572
  H      -1.170703     -1.696004      4.329405
  H      -4.530291      1.600341      1.693114
  H      -6.209064     -2.605105      1.077884
  H      -5.493550     -4.910129      1.740775
  H      -3.380664     -5.235203      3.018682
  H      -1.991304     -3.322321      3.655438
  H      -3.249222     -0.517354      7.487843
  H      -3.866911      0.478296      6.194041
  H      -4.616785      1.473523      8.954595
  H      -6.849869      0.909277      8.533744
  H      -5.465926     -2.570539      4.663127
  H      -9.961797     -1.908799      4.071205
  H     -11.667373     -0.392750      5.094514
  H     -11.006829      1.184962      6.904052
  H      -8.688533      1.261020      7.716463
  N      -3.353905      2.807041      4.502940
  H      -3.278076      3.688185      3.983446
  H      -4.376963      2.688616      4.691594
  H      -3.103034      2.043719      3.833586
93
Coordinates from ORCA-job orca E -6201.167145186846
  N      -2.434345      4.720731      6.943535
  Mo     -2.005355      2.885516      6.263884
  N      -2.530155      1.471493      7.493667
  C      -1.745895      1.246761      8.706216
  C      -0.969340      2.512889      9.043329
  N      -0.430580      3.111460      7.789380
  C      -0.188246      4.575863      7.902926
  C      -1.514679      5.316322      7.913305
  C       0.773919      2.388741      7.294336
  C       0.907119      2.590462      5.790815
  N      -0.410195      2.455496      5.157583
  H      -1.326609      6.382598      7.687091
  H      -1.968518      5.295824      8.925122
  H       0.397171      4.869973      7.021010
  H       0.409773      4.802452      8.801685
  H       1.613454      1.837499      5.403486
  H       1.351668      3.575949      5.556539
  H       0.616270      1.321167      7.498902
  H       1.671586      2.720945      7.843214
  H      -2.399352      0.994558      9.560326
  H      -1.070828      0.379731      8.567788
  H      -1.651894      3.249796      9.486354
  H      -0.154328      2.318609      9.760350
  C      -3.745310      5.375871      6.986907
  C      -4.840048      4.496945      6.475198
  C      -5.808838      4.877081      5.626027
  C      -6.769351      3.929285      5.045133
  N      -6.299044      2.717291      4.731739
  C      -7.133769      1.860197      4.086836
  N      -8.382038      2.080190      3.731118
  C      -8.908186      3.290571      4.084793
  C     -10.261602      3.571239      3.778608
  C     -10.813025      4.783445      4.138828
  C     -10.040563      5.759151      4.813666
  C      -8.717532      5.514881      5.120337
  C      -8.123468      4.280478      4.759546
  C      -0.394442      1.714005      3.881725
  C      -0.449757      0.246457      4.198926
  C      -1.363975     -0.705962      3.900899
  C      -2.585043     -0.633743      3.101758
  N      -3.060522      0.558354      2.720309
  C      -4.204126      0.593651      1.993699
  N      -4.947499     -0.423113      1.614402
  C      -4.506652     -1.660060      1.994123
  C      -5.281826     -2.789193      1.637107
  C      -4.873147     -4.052904      2.005056
  C      -3.675863     -4.232432      2.735675
  C      -2.901869     -3.148638      3.098438
  C      -3.297529     -1.832557      2.746926
  C      -3.603565      0.503078      7.267782
  C      -4.815624      0.833826      8.090721
  C      -6.102480      0.506003      7.853031
  C      -6.595143     -0.331164      6.763220
  N      -5.721907     -1.126105      6.133999
  C      -6.200504     -1.920697      5.145696
  N      -7.444290     -2.017950      4.715785
  C      -8.356899     -1.202236      5.324883
  C      -9.701795     -1.231196      4.882804
  C     -10.635182     -0.392987      5.453548
  C     -10.262586      0.501961      6.483130
  C      -8.961751      0.543271      6.940641
  C      -7.978468     -0.310207      6.379612
  H      -3.732862      6.336437      6.437991
  H      -3.970001      5.627465      8.046036
  H      -4.841222      3.466446      6.848237
  H      -5.874283      5.919824      5.301016
  H      -6.701038      0.892857      3.815009
  H     -10.840332      2.803845      3.263208
  H     -11.857193      4.996661      3.904541
  H     -10.499183      6.708408      5.093676
  H      -8.130109      6.263659      5.653596
  H       0.541024      1.938433      3.336337
  H      -1.220098      2.024455      3.237162
  H       0.381684     -0.089041      4.829384
  H      -1.154221     -1.692306      4.314723
  H      -4.546660      1.593411      1.705945
  H      -6.202027     -2.619226      1.077814
  H      -5.474894     -4.921946      1.735520
  H      -3.361234     -5.238867      3.014817
  H      -1.981819     -3.320196      3.654971
  H      -3.247037     -0.520036      7.495797
  H      -3.868182      0.471667      6.200907
  H      -4.617636      1.464307      8.963750
  H      -6.851213      0.903670      8.539043
  H      -5.459424     -2.563299      4.660357
  H      -9.960535     -1.920336      4.078230
  H     -11.669281     -0.411574      5.105828
  H     -11.011180      1.167559      6.915258
  H      -8.691953      1.251671      7.723549
  N      -3.363250      2.803109      4.512813
  H      -3.286939      3.683066      3.991227
  H      -4.386232      2.688291      4.703820
  H      -3.116491      2.038370      3.843159
93
Coordinates from ORCA-job orca E -6201.167159879336
  N      -2.440414      4.717433      6.948608
  Mo     -2.009036      2.882818      6.268184
  N      -2.527984      1.467151      7.498326
  C      -1.739806      1.243854      8.708636
  C      -0.965709      2.512375      9.044391
  N      -0.431224      3.112698      7.789633
  C      -0.191846      4.577584      7.901636
  C      -1.519658      5.314688      7.916141
  C       0.772897      2.391816      7.291164
  C       0.902237      2.592734      5.787456
  N      -0.416283      2.455635      5.156909
  H      -1.335000      6.381650      7.690329
  H      -1.970774      5.292211      8.929128
  H       0.390106      4.872512      7.017710
  H       0.408324      4.806270      8.798453
  H       1.608899      1.840826      5.398774
  H       1.344800      3.578827      5.551624
  H       0.617635      1.324074      7.496631
  H       1.671796      2.725747      7.837032
  H      -2.390063      0.989587      9.564574
  H      -1.063091      0.378437      8.567823
  H      -1.649115      3.247318      9.489253
  H      -0.148729      2.319501      9.759571
  C      -3.751204      5.371959      6.994694
  C      -4.845591      4.494786      6.480176
  C      -5.810773      4.876057      5.627416
  C      -6.772589      3.930731      5.044730
  N      -6.306084      2.715606      4.737376
  C      -7.142645      1.859590      4.093459
  N      -8.389358      2.082966      3.734350
  C      -8.911027      3.297501      4.080005
  C     -10.262021      3.583071      3.767799
  C     -10.808514      4.800067      4.119356
  C     -10.033638      5.775688      4.791368
  C      -8.712974      5.526633      5.104245
  C      -8.123753      4.287288      4.752336
  C      -0.400296      1.717017      3.879118
  C      -0.449076      0.248196      4.192441
  C      -1.362420     -0.705992      3.897654
  C      -2.585951     -0.635253      3.102614
  N      -3.067312      0.556802      2.728241
  C      -4.211105      0.591153      2.001914
  N      -4.948601     -0.426999      1.614914
  C      -4.503214     -1.664029      1.989674
  C      -5.273419     -2.794574      1.626713
  C      -4.861329     -4.058200      1.991404
  C      -3.665570     -4.236178      2.724801
  C      -2.895825     -3.151003      3.092459
  C      -3.294661     -1.835053      2.743631
  C      -3.599673      0.496503      7.273801
  C      -4.811309      0.825329      8.098216
  C      -6.098856      0.500539      7.859901
  C      -6.593206     -0.333244      6.768457
  N      -5.721624     -1.128271      6.136796
  C      -6.202113     -1.921213      5.148039
  N      -7.446812     -2.018022      4.720720
  C      -8.357823     -1.202316      5.332091
  C      -9.703702     -1.231053      4.893032
  C     -10.635588     -0.392326      5.465645
  C     -10.260394      0.502850      6.494037
  C      -8.958515      0.543781      6.948794
  C      -7.976915     -0.310543      6.386180
  H      -3.739157      6.334236      6.448717
  H      -3.975350      5.620259      8.054708
  H      -4.848895      3.463770      6.852126
  H      -5.872808      5.918795      5.301815
  H      -6.712919      0.889692      3.826242
  H     -10.843002      2.815877      3.254660
  H     -11.850856      5.017096      3.880416
  H     -10.488650      6.728839      5.063989
  H      -8.123441      6.275213      5.635381
  H       0.532548      1.947811      3.332105
  H      -1.229810      2.025088      3.238480
  H       0.387169     -0.085879      4.817151
  H      -1.146925     -1.692441      4.308309
  H      -4.559146      1.591029      1.721105
  H      -6.192974     -2.625874      1.065940
  H      -5.459315     -4.928303      1.716928
  H      -3.348818     -5.242317      3.002609
  H      -1.977227     -3.320889      3.652174
  H      -3.240575     -0.525647      7.502255
  H      -3.866302      0.463682      6.207600
  H      -4.612102      1.452360      8.973505
  H      -6.847034      0.897601      8.546914
  H      -5.461678     -2.562968      4.660738
  H      -9.964654     -1.920194      4.089187
  H     -11.670467     -0.410715      5.120222
  H     -11.007738      1.168925      6.927637
  H      -8.686625      1.252074      7.731128
  N      -3.368203      2.796655      4.519257
  H      -3.292201      3.675223      3.995054
  H      -4.391139      2.681959      4.710707
  H      -3.122585      2.031168      3.849552
93
Coordinates from ORCA-job orca E -6201.167169281011
  N      -2.444556      4.714697      6.953875
  Mo     -2.012379      2.880913      6.271653
  N      -2.527037      1.464019      7.501956
  C      -1.736321      1.242239      8.711074
  C      -0.963269      2.511870      9.044756
  N      -0.431253      3.112687      7.789279
  C      -0.193258      4.577669      7.900458
  C      -1.521931      5.313104      7.918802
  C       0.771969      2.392930      7.287382
  C       0.897824      2.594406      5.783486
  N      -0.422076      2.457142      5.155661
  H      -1.339426      6.380386      7.692732
  H      -1.970092      5.289808      8.933103
  H       0.385633      4.873073      7.014662
  H       0.409342      4.807478      8.795382
  H       1.603905      1.843024      5.392853
  H       1.339207      3.580891      5.546890
  H       0.617772      1.325016      7.492972
  H       1.672127      2.727318      7.830919
  H      -2.384704      0.987248      9.568150
  H      -1.058517      0.377846      8.569220
  H      -1.646764      3.246279      9.490316
  H      -0.145199      2.319923      9.758981
  C      -3.755314      5.368750      7.003355
  C      -4.849586      4.493257      6.486537
  C      -5.811629      4.875337      5.630537
  C      -6.774162      3.932088      5.046175
  N      -6.311411      2.714490      4.743072
  C      -7.149152      1.860142      4.098847
  N      -8.394176      2.087087      3.735914
  C      -8.911939      3.304790      4.076002
  C     -10.260525      3.595104      3.757436
  C     -10.803061      4.815629      4.102572
  C     -10.026584      5.790184      4.774316
  C      -8.708268      5.536539      5.093154
  C      -8.122861      4.293435      4.747887
  C      -0.408459      1.722887      3.875213
  C      -0.449678      0.253069      4.184070
  C      -1.361112     -0.703473      3.891639
  C      -2.588287     -0.635883      3.101879
  N      -3.075667      0.554915      2.731444
  C      -4.220683      0.586286      2.006956
  N      -4.952988     -0.434324      1.616372
  C      -4.501893     -1.670247      1.988352
  C      -5.267345     -2.803279      1.623264
  C      -4.850547     -4.065833      1.986572
  C      -3.654541     -4.240114      2.720426
  C      -2.888914     -3.152457      3.089250
  C      -3.292558     -1.837719      2.741715
  C      -3.597512      0.491228      7.279449
  C      -4.808938      0.818637      8.104259
  C      -6.096576      0.494814      7.865233
  C      -6.591596     -0.336185      6.771983
  N      -5.720734     -1.130224      6.138010
  C      -6.202171     -1.921553      5.148389
  N      -7.447208     -2.017332      4.721717
  C      -8.357336     -1.201930      5.334834
  C      -9.703569     -1.229509      4.896945
  C     -10.634865     -0.391315      5.471464
  C     -10.258553      0.502154      6.500912
  C      -8.956227      0.541822      6.954690
  C      -7.975463     -0.312046      6.390222
  H      -3.743547      6.332911      6.460569
  H      -3.978814      5.613451      8.064334
  H      -4.855015      3.461664      6.857598
  H      -5.871085      5.918258      5.305085
  H      -6.721861      0.888282      3.835036
  H     -10.842886      2.828870      3.244443
  H     -11.843545      5.036259      3.858825
  H     -10.478508      6.746278      5.041747
  H      -8.117640      6.284568      5.623814
  H       0.521190      1.960038      3.325460
  H      -1.242149      2.029423      3.239363
  H       0.391923     -0.079978      4.802029
  H      -1.139247     -1.689973      4.298899
  H      -4.574708      1.585450      1.731193
  H      -6.187242     -2.637462      1.062154
  H      -5.444912     -4.937856      1.710306
  H      -3.334459     -5.245285      2.997939
  H      -1.969996     -3.319161      3.649528
  H      -3.235826     -0.529822      7.508751
  H      -3.865036      0.457089      6.213514
  H      -4.609457      1.443866      8.980834
  H      -6.844704      0.890186      8.553286
  H      -5.462485     -2.562997      4.659440
  H      -9.965431     -1.917350      4.092267
  H     -11.669948     -0.408623      5.126611
  H     -11.005315      1.167952      6.935969
  H      -8.683387      1.248454      7.738224
  N      -3.375221      2.791927      4.526794
  H      -3.299102      3.669219      4.000445
  H      -4.397972      2.677584      4.719647
  H      -3.130920      2.025302      3.857463
93
Coordinates from ORCA-job orca E -6201.167130877203
  N      -2.448559      4.711173      6.964315
  Mo     -2.015336      2.880227      6.276026
  N      -2.521610      1.458867      7.504530
  C      -1.726731      1.237981      8.711272
  C      -0.955218      2.508596      9.043355
  N      -0.427845      3.111594      7.787182
  C      -0.191994      4.576698      7.899527
  C      -1.522166      5.309947      7.925460
  C       0.773709      2.394340      7.278195
  C       0.893104      2.599858      5.774260
  N      -0.429341      2.463396      5.151608
  H      -1.342884      6.377917      7.700014
  H      -1.965073      5.284521      8.942076
  H       0.381740      4.874366      7.011104
  H       0.414895      4.806599      8.791562
  H       1.598034      1.849937      5.378746
  H       1.332503      3.587384      5.538154
  H       0.621304      1.325775      7.481917
  H       1.676059      2.728278      7.818391
  H      -2.371999      0.980644      9.569940
  H      -1.047104      0.375498      8.566537
  H      -1.638599      3.241624      9.491327
  H      -0.135060      2.317248      9.755434
  C      -3.759435      5.364431      7.019200
  C      -4.852875      4.491917      6.496087
  C      -5.809023      4.875061      5.633828
  C      -6.771436      3.934313      5.046013
  N      -6.314212      2.712237      4.752865
  C      -7.152324      1.859372      4.107634
  N      -8.393572      2.091521      3.734877
  C      -8.905915      3.314682      4.063348
  C     -10.250002      3.611696      3.731677
  C     -10.787213      4.838055      4.063956
  C     -10.009752      5.811881      4.735736
  C      -8.695906      5.551584      5.067213
  C      -8.115655      4.302406      4.735108
  C      -0.420379      1.737801      3.866194
  C      -0.450551      0.266359      4.166810
  C      -1.364091     -0.690945      3.884169
  C      -2.605529     -0.621884      3.117058
  N      -3.101380      0.569907      2.761681
  C      -4.258111      0.603374      2.056284
  N      -4.993666     -0.416611      1.669966
  C      -4.534818     -1.653584      2.028960
  C      -5.304254     -2.785914      1.670175
  C      -4.881395     -4.049491      2.023011
  C      -3.674969     -4.225404      2.739204
  C      -2.904766     -3.138480      3.100498
  C      -3.314128     -1.822939      2.763350
  C      -3.586723      0.479796      7.282083
  C      -4.801123      0.801814      8.103871
  C      -6.087011      0.474388      7.860332
  C      -6.576864     -0.355668      6.763904
  N      -5.702669     -1.146891      6.130961
  C      -6.179867     -1.938367      5.139371
  N      -7.423585     -2.036562      4.709356
  C      -8.336957     -1.223547      5.320945
  C      -9.681959     -1.253281      4.879652
  C     -10.616664     -0.417673      5.452552
  C     -10.244868      0.475529      6.483872
  C      -8.943721      0.517221      6.941042
  C      -7.959796     -0.333964      6.378356
  H      -3.747703      6.332561      6.483357
  H      -3.983190      5.601277      8.081955
  H      -4.861609      3.459139      6.864696
  H      -5.864660      5.918303      5.308780
  H      -6.728501      0.883827      3.851909
  H     -10.833186      2.846152      3.218588
  H     -11.824116      5.063921      3.809932
  H     -10.457410      6.772728      4.993135
  H      -8.105063      6.299560      5.597695
  H       0.503688      1.984824      3.311262
  H      -1.260924      2.042929      3.238840
  H       0.402240     -0.067773      4.768652
  H      -1.132402     -1.678897      4.282391
  H      -4.618727      1.603477      1.792809
  H      -6.232220     -2.618863      1.122864
  H      -5.479003     -4.920945      1.751951
  H      -3.350523     -5.231265      3.009086
  H      -1.977690     -3.306260      3.646686
  H      -3.219024     -0.538621      7.513636
  H      -3.852125      0.442938      6.215700
  H      -4.605912      1.425557      8.982513
  H      -6.838388      0.865144      8.547467
  H      -5.438016     -2.578341      4.651625
  H      -9.940304     -1.940767      4.073504
  H     -11.650736     -0.436572      5.104796
  H     -10.994141      1.139472      6.917457
  H      -8.674153      1.223523      7.726027
  N      -3.383839      2.785245      4.537761
  H      -3.307942      3.660531      4.008060
  H      -4.406360      2.671602      4.732229
  H      -3.141127      2.016703      3.869696
93
Coordinates from ORCA-job orca E -6201.167185914484
  N      -2.453781      4.713028      6.975616
  Mo     -2.024241      2.884144      6.280895
  N      -2.524408      1.458959      7.507057
  C      -1.726079      1.237002      8.711506
  C      -0.954091      2.507656      9.042512
  N      -0.430385      3.111777      7.785842
  C      -0.193351      4.576542      7.899961
  C      -1.522825      5.311490      7.932086
  C       0.769006      2.395633      7.271258
  C       0.882535      2.605781      5.767642
  N      -0.442085      2.469717      5.150060
  H      -1.343511      6.379132      7.705047
  H      -1.960613      5.287372      8.951020
  H       0.376632      4.875398      7.009471
  H       0.417890      4.804381      8.789554
  H       1.586302      1.857189      5.367482
  H       1.319833      3.594441      5.532453
  H       0.616746      1.326542      7.472601
  H       1.673202      2.728015      7.809309
  H      -2.369258      0.978793      9.571381
  H      -1.046270      0.375075      8.564108
  H      -1.636129      3.240591      9.492730
  H      -0.132151      2.316094      9.752583
  C      -3.764439      5.365720      7.036762
  C      -4.857077      4.496414      6.507419
  C      -5.812055      4.881606      5.644516
  C      -6.774326      3.942900      5.054340
  N      -6.321384      2.718288      4.765668
  C      -7.159433      1.867677      4.118063
  N      -8.397730      2.104421      3.737806
  C      -8.906414      3.330373      4.061558
  C     -10.247449      3.632342      3.721220
  C     -10.782164      4.860874      4.049132
  C     -10.004873      5.832064      4.725327
  C      -8.694002      5.566883      5.064541
  C      -8.116098      4.315451      4.736785
  C      -0.437061      1.740625      3.866357
  C      -0.457699      0.269459      4.167043
  C      -1.361611     -0.694576      3.876759
  C      -2.598644     -0.634569      3.101356
  N      -3.100417      0.553757      2.743092
  C      -4.253056      0.579505      2.030909
  N      -4.978152     -0.445777      1.638403
  C      -4.512221     -1.679579      1.999088
  C      -5.270907     -2.817166      1.633739
  C      -4.841412     -4.077989      1.988410
  C      -3.638375     -4.245880      2.712331
  C      -2.878422     -3.153867      3.079880
  C      -3.295302     -1.840854      2.741722
  C      -3.590542      0.479684      7.287685
  C      -4.802716      0.804950      8.110494
  C      -6.089226      0.476987      7.871051
  C      -6.583243     -0.357681      6.779625
  N      -5.713899     -1.158803      6.152646
  C      -6.196676     -1.956130      5.168456
  N      -7.441197     -2.050301      4.739472
  C      -8.349270     -1.226493      5.344566
  C      -9.694544     -1.250813      4.903839
  C     -10.624136     -0.405400      5.470682
  C     -10.246471      0.493219      6.495266
  C      -8.944797      0.530200      6.951523
  C      -7.966344     -0.331050      6.394967
  H      -3.752743      6.338155      6.508683
  H      -3.988309      5.593755      8.101526
  H      -4.866318      3.461394      6.870252
  H      -5.868103      5.926330      5.324356
  H      -6.738215      0.889884      3.866530
  H     -10.830225      2.868590      3.204972
  H     -11.816580      5.090510      3.788337
  H     -10.450088      6.794777      4.980071
  H      -8.104325      6.313803      5.597886
  H       0.484154      1.990749      3.307585
  H      -1.280423      2.041415      3.240877
  H       0.395700     -0.060017      4.770575
  H      -1.124683     -1.681568      4.274300
  H      -4.619239      1.577177      1.765812
  H      -6.196239     -2.656386      1.080095
  H      -5.431054     -4.953478      1.712832
  H      -3.308506     -5.249801      2.982998
  H      -1.952865     -3.315767      3.630500
  H      -3.222585     -0.538377      7.520294
  H      -3.856461      0.442249      6.221391
  H      -4.605238      1.431988      8.986336
  H      -6.838561      0.870515      8.558845
  H      -5.460504     -2.606630      4.685997
  H      -9.957088     -1.942722      4.102766
  H     -11.658334     -0.420161      5.123077
  H     -10.991571      1.165149      6.923756
  H      -8.670506      1.240618      7.731174
  N      -3.395860      2.786044      4.545807
  H      -3.320880      3.660139      4.014062
  H      -4.418084      2.671787      4.741943
  H      -3.153850      2.016365      3.878884
93
Coordinates from ORCA-job orca E -6201.167054955571
  N      -2.462039      4.707750      6.976440
  Mo     -2.027280      2.882404      6.275899
  N      -2.522818      1.451522      7.497442
  C      -1.721571      1.224074      8.698553
  C      -0.952167      2.495044      9.035699
  N      -0.433442      3.108486      7.781033
  C      -0.202137      4.573959      7.902676
  C      -1.534030      5.304063      7.937218
  C       0.769191      2.400256      7.262632
  C       0.879909      2.616067      5.759671
  N      -0.444600      2.473631      5.143211
  H      -1.357818      6.373366      7.715767
  H      -1.973136      5.273278      8.955326
  H       0.367753      4.879663      7.014539
  H       0.407178      4.799267      8.794173
  H       1.587702      1.872823      5.356702
  H       1.311712      3.607701      5.527159
  H       0.622991      1.329667      7.459862
  H       1.672181      2.735112      7.801194
  H      -2.362270      0.959831      9.558623
  H      -1.040714      0.364063      8.544880
  H      -1.635723      3.222748      9.492054
  H      -0.127758      2.302139      9.742436
  C      -3.774907      5.356143      7.038501
  C      -4.865569      4.483318      6.509938
  C      -5.826319      4.867068      5.652848
  C      -6.788888      3.925754      5.066297
  N      -6.332396      2.703109      4.774381
  C      -7.171176      1.848910      4.131799
  N      -8.412924      2.080333      3.760121
  C      -8.924817      3.304071      4.087666
  C     -10.269630      3.600085      3.757998
  C     -10.807364      4.826201      4.090488
  C     -10.029424      5.800745      4.760779
  C      -8.714787      5.541451      5.090098
  C      -8.133994      4.292763      4.757407
  C      -0.434823      1.738714      3.862730
  C      -0.446273      0.268139      4.170048
  C      -1.341612     -0.705158      3.882512
  C      -2.576658     -0.660081      3.103223
  N      -3.088083      0.521689      2.736518
  C      -4.239637      0.532623      2.022039
  N      -4.957280     -0.501025      1.638316
  C      -4.481440     -1.728518      2.007063
  C      -5.230242     -2.874937      1.648966
  C      -4.788880     -4.129786      2.009845
  C      -3.583833     -4.282844      2.733691
  C      -2.833767     -3.181969      3.095179
  C      -3.262838     -1.874530      2.750185
  C      -3.591626      0.476307      7.275855
  C      -4.798553      0.797294      8.109203
  C      -6.088560      0.485267      7.867822
  C      -6.592045     -0.318276      6.757875
  N      -5.728672     -1.104708      6.104690
  C      -6.217977     -1.867387      5.096614
  N      -7.463796     -1.940193      4.667410
  C      -8.365922     -1.130563      5.299848
  C      -9.711979     -1.132627      4.860537
  C     -10.634877     -0.299034      5.454991
  C     -10.249892      0.564863      6.506360
  C      -8.947486      0.579470      6.961470
  C      -7.975501     -0.270786      6.376853
  H      -3.767370      6.328849      6.511089
  H      -3.998398      5.582765      8.103635
  H      -4.868723      3.448028      6.870793
  H      -5.888271      5.912063      5.334785
  H      -6.748078      0.872660      3.877600
  H     -10.852916      2.833586      3.246433
  H     -11.844778      5.051265      3.837859
  H     -10.477150      6.761324      5.019076
  H      -8.124308      6.290419      5.619602
  H       0.484725      1.991381      3.302584
  H      -1.279940      2.031333      3.235816
  H       0.406939     -0.051167      4.779241
  H      -1.097430     -1.688267      4.285215
  H      -4.613625      1.525302      1.749088
  H      -6.157614     -2.725501      1.095630
  H      -5.370791     -5.012105      1.739754
  H      -3.244361     -5.282241      3.009092
  H      -1.906955     -3.332658      3.646953
  H      -3.225959     -0.545029      7.497137
  H      -3.864155      0.448629      6.210993
  H      -4.593008      1.407362      8.995010
  H      -6.832651      0.872079      8.565126
  H      -5.485549     -2.504845      4.591749
  H      -9.980342     -1.797615      4.038909
  H     -11.669795     -0.296747      5.109225
  H     -10.989941      1.227764      6.957038
  H      -8.667496      1.264103      7.761867
  N      -3.397481      2.785829      4.539039
  H      -3.328163      3.663212      4.011794
  H      -4.419208      2.666298      4.735417
  H      -3.152276      2.020830      3.868293
93
Coordinates from ORCA-job orca E -6201.167067937871
  N      -2.457902      4.707190      6.966141
  Mo     -2.018927      2.880897      6.270611
  N      -2.524115      1.452899      7.491965
  C      -1.730164      1.224411      8.697457
  C      -0.962655      2.494893      9.039512
  N      -0.436429      3.108018      7.787473
  C      -0.205838      4.573661      7.911040
  C      -1.537888      5.303533      7.934570
  C       0.771005      2.399843      7.279732
  C       0.892755      2.613374      5.777450
  N      -0.427138      2.469214      5.151523
  H      -1.359511      6.372644      7.714079
  H      -1.985576      5.273070      8.948853
  H       0.371668      4.879774      7.028051
  H       0.395698      4.798349      8.807876
  H       1.604152      1.870321      5.380720
  H       1.325741      3.604894      5.547153
  H       0.624203      1.329428      7.477058
  H       1.669306      2.736017      7.825248
  H      -2.376213      0.960736      9.553788
  H      -1.049325      0.363730      8.547850
  H      -1.649356      3.222328      9.491606
  H      -0.142235      2.302634      9.750923
  C      -3.772085      5.353800      7.019033
  C      -4.858772      4.478910      6.485461
  C      -5.818924      4.865014      5.628789
  C      -6.774669      3.924161      5.029918
  N      -6.306615      2.710992      4.717626
  C      -7.135565      1.861647      4.055725
  N      -8.377345      2.089648      3.682543
  C      -8.901362      3.302233      4.031710
  C     -10.247513      3.592652      3.703129
  C     -10.797305      4.807419      4.057054
  C     -10.030192      5.776119      4.747811
  C      -8.714201      5.522457      5.076333
  C      -8.121627      4.285228      4.722591
  C      -0.408491      1.726973      3.875629
  C      -0.442354      0.257722      4.188631
  C      -1.345329     -0.705560      3.891076
  C      -2.570240     -0.645367      3.096881
  N      -3.063604      0.542700      2.725117
  C      -4.207556      0.566969      1.998734
  N      -4.935636     -0.457851      1.611106
  C      -4.477633     -1.691012      1.983050
  C      -5.236529     -2.828602      1.617940
  C      -4.810901     -4.088790      1.978716
  C      -3.612231     -4.256387      2.709945
  C      -2.853202     -3.164413      3.079598
  C      -3.266405     -1.851610      2.735197
  C      -3.598280      0.483814      7.270314
  C      -4.797843      0.803632      8.115881
  C      -6.089472      0.487155      7.890155
  C      -6.602684     -0.317977      6.786136
  N      -5.740782     -1.090303      6.114639
  C      -6.237494     -1.852237      5.109703
  N      -7.489303     -1.937002      4.700497
  C      -8.390729     -1.142778      5.353101
  C      -9.743999     -1.159391      4.936603
  C     -10.666868     -0.341632      5.552473
  C     -10.275041      0.519960      6.603225
  C      -8.965454      0.548604      7.036152
  C      -7.992755     -0.285112      6.428922
  H      -3.762943      6.325393      6.489837
  H      -4.002124      5.582216      8.082346
  H      -4.859911      3.443353      6.844852
  H      -5.883343      5.911550      5.316395
  H      -6.703954      0.893449      3.786063
  H     -10.822197      2.830517      3.175572
  H     -11.835904      5.027972      3.805411
  H     -10.487203      6.727704      5.022551
  H      -8.131966      6.266416      5.621747
  H       0.520777      1.965147      3.325314
  H      -1.241759      2.026286      3.236231
  H       0.397072     -0.069219      4.812670
  H      -1.119199     -1.691325      4.297886
  H      -4.566494      1.563897      1.721079
  H      -6.158432     -2.667980      1.058667
  H      -5.400266     -4.964318      1.702828
  H      -3.284843     -5.260030      2.984451
  H      -1.931885     -3.326471      3.637562
  H      -3.235976     -0.540289      7.483661
  H      -3.877752      0.462655      6.207101
  H      -4.583838      1.412559      9.000374
  H      -6.826178      0.869546      8.597731
  H      -5.505378     -2.476346      4.588041
  H     -10.017878     -1.822466      4.115292
  H     -11.707579     -0.350611      5.224662
  H     -11.015718      1.169869      7.071417
  H      -8.680945      1.231291      7.836603
  N      -3.376149      2.782865      4.521549
  H      -3.304713      3.659847      3.993896
  H      -4.399066      2.663866      4.713208
  H      -3.126918      2.016726      3.854367
93
Coordinates from ORCA-job orca E -6201.167034483149
  N      -2.442157      4.720371      6.961530
  Mo     -2.017959      2.883430      6.286110
  N      -2.523174      1.471020      7.525661
  C      -1.728110      1.257943      8.733543
  C      -0.952421      2.529126      9.055148
  N      -0.425750      3.118873      7.793065
  C      -0.184449      4.584281      7.894487
  C      -1.511673      5.324098      7.915553
  C       0.772673      2.392775      7.289150
  C       0.889839      2.588307      5.783292
  N      -0.434322      2.451618      5.163612
  H      -1.327537      6.388855      7.678927
  H      -1.952927      5.311325      8.933203
  H       0.389689      4.873490      7.003532
  H       0.424426      4.817631      8.784247
  H       1.592516      1.834470      5.391077
  H       1.331072      3.573416      5.541127
  H       0.616150      1.326212      7.500360
  H       1.676466      2.726838      7.826878
  H      -2.373876      1.010077      9.594623
  H      -1.051175      0.392134      8.595902
  H      -1.632290      3.268626      9.497963
  H      -0.131546      2.341726      9.767463
  C      -3.751603      5.377585      7.011257
  C      -4.846080      4.503820      6.491577
  C      -5.802442      4.881120      5.626825
  C      -6.764048      3.934097      5.048261
  N      -6.305117      2.711109      4.761693
  C      -7.142387      1.852085      4.123832
  N      -8.384823      2.078900      3.751792
  C      -8.900263      3.301698      4.076978
  C     -10.246610      3.592227      3.748698
  C     -10.787563      4.817952      4.077377
  C     -10.011099      5.797639      4.741969
  C      -8.694902      5.543720      5.069332
  C      -8.111008      4.295526      4.740587
  C      -0.430247      1.720530      3.881235
  C      -0.476344      0.250242      4.183801
  C      -1.391902     -0.700303      3.884329
  C      -2.623094     -0.620602      3.100974
  N      -3.107663      0.575466      2.744885
  C      -4.254711      0.618347      2.024413
  N      -4.990999     -0.395599      1.624204
  C      -4.541166     -1.636755      1.978695
  C      -5.309942     -2.763345      1.600337
  C      -4.894415     -4.031399      1.945504
  C      -3.695682     -4.217575      2.672196
  C      -2.927167     -3.136442      3.053822
  C      -3.330263     -1.816515      2.727141
  C      -3.591077      0.492880      7.312669
  C      -4.809027      0.834460      8.120751
  C      -6.093557      0.502729      7.875489
  C      -6.575107     -0.357049      6.798060
  N      -5.699185     -1.176739      6.205322
  C      -6.169361     -1.996939      5.234193
  N      -7.407370     -2.098295      4.788893
  C      -8.322348     -1.257759      5.359751
  C      -9.660853     -1.290318      4.899292
  C     -10.596097     -0.428059      5.429864
  C     -10.231320      0.496044      6.436290
  C      -8.936898      0.541255      6.911857
  C      -7.952566     -0.336908      6.392801
  H      -3.736610      6.342984      6.470563
  H      -3.977023      5.620066      8.072534
  H      -4.856472      3.473726      6.866471
  H      -5.859991      5.922387      5.295918
  H      -6.716581      0.876287      3.871871
  H     -10.828245      2.821884      3.241028
  H     -11.826083      5.038929      3.825814
  H     -10.461097      6.757807      4.997707
  H      -8.105941      6.297050      5.594363
  H       0.498270      1.955330      3.328086
  H      -1.264225      2.032577      3.248187
  H       0.365726     -0.092257      4.796278
  H      -1.172948     -1.692058      4.280217
  H      -4.604571      1.621509      1.758169
  H      -6.231207     -2.588244      1.044343
  H      -5.491396     -4.898657      1.659975
  H      -3.375582     -5.227270      2.932797
  H      -2.004868     -3.313154      3.604629
  H      -3.229382     -0.523545      7.562080
  H      -3.849349      0.440850      6.245164
  H      -4.618768      1.478714      8.985487
  H      -6.849569      0.912872      8.545817
  H      -5.426816     -2.658980      4.778007
  H      -9.913003     -2.001565      4.112037
  H     -11.624959     -0.449167      5.067148
  H     -10.980900      1.180606      6.835876
  H      -8.672569      1.271586      7.676279
  N      -3.384756      2.767512      4.547395
  H      -3.303481      3.634104      4.004582
  H      -4.408295      2.663966      4.741176
  H      -3.144868      1.986391      3.893795
93
Coordinates from ORCA-job orca E -6201.167148387972
  N      -2.456302      4.714156      6.984415
  Mo     -2.027235      2.891835      6.273401
  N      -2.524376      1.456502      7.488756
  C      -1.724146      1.224702      8.690128
  C      -0.951484      2.492025      9.029298
  N      -0.430511      3.107572      7.776261
  C      -0.194539      4.571491      7.904136
  C      -1.524830      5.304521      7.945297
  C       0.769190      2.399037      7.252310
  C       0.877967      2.621794      5.750189
  N      -0.447882      2.485357      5.135204
  H      -1.346857      6.374364      7.727861
  H      -1.961357      5.270259      8.964412
  H       0.373979      4.879837      7.015982
  H       0.417482      4.791232      8.795184
  H       1.583168      1.878839      5.342425
  H       1.311229      3.613693      5.521349
  H       0.620368      1.327875      7.444833
  H       1.673951      2.729221      7.790715
  H      -2.365492      0.959062      9.549083
  H      -1.044431      0.364310      8.534136
  H      -1.633453      3.220574      9.486680
  H      -0.127929      2.295392      9.736050
  C      -3.767414      5.364903      7.053178
  C      -4.859289      4.500727      6.514094
  C      -5.815289      4.894875      5.656400
  C      -6.782369      3.965004      5.060342
  N      -6.336545      2.739610      4.764832
  C      -7.179808      1.896861      4.113955
  N      -8.417611      2.141698      3.737427
  C      -8.919494      3.368297      4.068809
  C     -10.259872      3.678444      3.733468
  C     -10.788048      4.907622      4.069309
  C     -10.004622      5.871466      4.748739
  C      -8.694186      5.598365      5.083353
  C      -8.122883      4.346021      4.747485
  C      -0.443515      1.747088      3.856842
  C      -0.452326      0.277446      4.167271
  C      -1.349834     -0.695677      3.887829
  C      -2.591619     -0.649714      3.119366
  N      -3.106346      0.533100      2.761261
  C      -4.264829      0.546712      2.058350
  N      -4.984785     -0.486129      1.676080
  C      -4.506519     -1.714609      2.038962
  C      -5.260240     -2.859766      1.687269
  C      -4.817915     -4.115437      2.044446
  C      -3.606569     -4.270701      2.757211
  C      -2.851490     -3.171175      3.111930
  C      -3.281624     -1.863008      2.771066
  C      -3.590640      0.478529      7.262723
  C      -4.804396      0.797472      8.086191
  C      -6.090485      0.469833      7.843652
  C      -6.582619     -0.361031      6.748402
  N      -5.712167     -1.160120      6.120123
  C      -6.193654     -1.956153      5.134250
  N      -7.438524     -2.053522      4.707037
  C      -8.348075     -1.233198      5.314497
  C      -9.694189     -1.262420      4.876710
  C     -10.625375     -0.420290      5.445693
  C     -10.248579      0.479579      6.469522
  C      -8.946107      0.521158      6.923118
  C      -7.965958     -0.336941      6.364575
  H      -3.756583      6.343524      6.536730
  H      -3.991377      5.580041      8.120597
  H      -4.867476      3.461748      6.866234
  H      -5.871451      5.943019      5.347706
  H      -6.764657      0.917869      3.857727
  H     -10.847555      2.920058      3.214896
  H     -11.822097      5.143340      3.812484
  H     -10.444597      6.834985      5.009504
  H      -8.099778      6.339658      5.619239
  H       0.473429      1.998968      3.291966
  H      -1.291655      2.037761      3.233211
  H       0.405921     -0.041230      4.769570
  H      -1.103089     -1.678209      4.290481
  H      -4.641530      1.540261      1.792566
  H      -6.191896     -2.708771      1.141456
  H      -5.403220     -4.996792      1.778447
  H      -3.266590     -5.270675      3.029945
  H      -1.919833     -3.323224      3.655424
  H      -3.222691     -0.540766      7.489814
  H      -3.855583      0.446929      6.196254
  H      -4.608359      1.419354      8.966008
  H      -6.841055      0.859520      8.532373
  H      -5.456144     -2.603746      4.649883
  H      -9.956010     -1.954903      4.075937
  H     -11.660276     -0.438618      5.100325
  H     -10.995136      1.148606      6.900046
  H      -8.673011      1.231636      7.703204
  N      -3.399598      2.800642      4.538505
  H      -3.327572      3.677726      4.011200
  H      -4.421693      2.684266      4.736054
  H      -3.157940      2.036166      3.865528
93
Coordinates from ORCA-job orca E -6201.167160287103
  N      -2.461803      4.706435      6.976422
  Mo     -2.025635      2.880616      6.279354
  N      -2.521990      1.450606      7.502068
  C      -1.722881      1.224265      8.704627
  C      -0.955152      2.495927      9.042652
  N      -0.434864      3.108347      7.788279
  C      -0.204834      4.574270      7.910297
  C      -1.537158      5.304141      7.939622
  C       0.769887      2.400462      7.274362
  C       0.883730      2.615639      5.771459
  N      -0.439218      2.470746      5.151640
  H      -1.360163      6.373059      7.716937
  H      -1.979741      5.274983      8.956255
  H       0.368122      4.880282      7.024279
  H       0.401178      4.799770      8.803958
  H       1.594183      1.874036      5.370229
  H       1.314059      3.608110      5.540240
  H       0.624075      1.329852      7.471859
  H       1.670879      2.736433      7.815562
  H      -2.365395      0.960646      9.563587
  H      -1.041523      0.364244      8.553094
  H      -1.640072      3.223658      9.496968
  H      -0.131698      2.304770      9.750902
  C      -3.775170      5.354558      7.031860
  C      -4.862658      4.481292      6.497387
  C      -5.819041      4.864936      5.635453
  C      -6.777293      3.922688      5.043512
  N      -6.318288      2.700123      4.755088
  C      -7.151559      1.845598      4.105748
  N      -8.389888      2.077222      3.722861
  C      -8.904781      3.300860      4.046645
  C     -10.246898      3.596582      3.706034
  C     -10.787989      4.822263      4.034747
  C     -10.015890      5.796721      4.711834
  C      -8.703845      5.537721      5.051767
  C      -8.119959      4.289377      4.723553
  C      -0.425283      1.737071      3.870704
  C      -0.448169      0.266183      4.174836
  C      -1.347139     -0.700217      3.875945
  C      -2.576849     -0.642630      3.088819
  N      -3.077503      0.544411      2.724261
  C      -4.225401      0.566523      2.004150
  N      -4.950126     -0.460139      1.615057
  C      -4.484473     -1.692555      1.979773
  C      -5.239831     -2.832146      1.613496
  C      -4.807492     -4.091707      1.968646
  C      -3.605164     -4.256496      2.694552
  C      -2.849267     -3.162496      3.064576
  C      -3.269285     -1.850553      2.726114
  C      -3.593675      0.477713      7.284027
  C      -4.796307      0.802236      8.122594
  C      -6.087282      0.485894      7.892252
  C      -6.597290     -0.325437      6.790938
  N      -5.735804     -1.108679      6.131683
  C      -6.230944     -1.877604      5.131279
  N      -7.480561     -1.959198      4.715018
  C      -8.381228     -1.153337      5.354304
  C      -9.731816     -1.165179      4.929062
  C     -10.653756     -0.336265      5.531413
  C     -10.263526      0.532234      6.577070
  C      -8.956508      0.556768      7.018107
  C      -7.984986     -0.287987      6.424653
  H      -3.765029      6.327476      6.504946
  H      -4.004690      5.580485      8.095902
  H      -4.867449      3.446583      6.859058
  H      -5.879824      5.909899      5.317104
  H      -6.726616      0.868993      3.855625
  H     -10.825368      2.829981      3.189169
  H     -11.823311      5.047115      3.773586
  H     -10.465898      6.757016      4.967137
  H      -8.118453      6.286944      5.586512
  H       0.499242      1.984396      3.316293
  H      -1.264117      2.035407      3.238017
  H       0.397447     -0.060727      4.790649
  H      -1.113555     -1.686957      4.276100
  H      -4.589820      1.562953      1.731911
  H      -6.164731     -2.673590      1.058616
  H      -5.394447     -4.968823      1.692625
  H      -3.272448     -5.259668      2.964389
  H      -1.924624     -3.322443      3.617229
  H      -3.229636     -0.544051      7.505644
  H      -3.869517      0.448967      6.219936
  H      -4.585838      1.416292      9.004442
  H      -6.826779      0.873622      8.593930
  H      -5.500146     -2.512635      4.621107
  H     -10.004386     -1.834056      4.111992
  H     -11.692312     -0.341696      5.196799
  H     -11.003242      1.191007      7.034259
  H      -8.672714      1.245205      7.813844
  N      -3.389304      2.771376      4.537353
  H      -3.312924      3.642399      4.000576
  H      -4.412596      2.661667      4.730794
  H      -3.146378      1.996931      3.877183
93
Coordinates from ORCA-job orca E -6201.167207240737
  N      -2.456706      4.712207      6.976259
  Mo     -2.025996      2.884961      6.279310
  N      -2.522615      1.457074      7.504421
  C      -1.722443      1.231788      8.706576
  C      -0.950980      2.501946      9.040689
  N      -0.431322      3.110942      7.784182
  C      -0.197351      4.576290      7.903815
  C      -1.528171      5.308535      7.936643
  C       0.770201      2.399303      7.267695
  C       0.881031      2.612384      5.764149
  N      -0.443799      2.470616      5.147433
  H      -1.349964      6.377107      7.713256
  H      -1.967997      5.280272      8.954494
  H       0.373700      4.880080      7.015803
  H       0.411626      4.801504      8.795543
  H       1.588457      1.868427      5.361974
  H       1.313605      3.603405      5.530742
  H       0.622127      1.329313      7.466840
  H       1.673568      2.733526      7.806007
  H      -2.364026      0.970816      9.567003
  H      -1.042940      0.370246      8.555564
  H      -1.633357      3.232135      9.494871
  H      -0.126747      2.309864      9.747791
  C      -3.768290      5.363574      7.035168
  C      -4.859326      4.493591      6.502761
  C      -5.815505      4.880767      5.642161
  C      -6.777618      3.942403      5.050520
  N      -6.320717      2.721289      4.752971
  C      -7.158191      1.870746      4.103921
  N      -8.398981      2.104442      3.730535
  C      -8.911349      3.326586      4.063401
  C     -10.255204      3.624742      3.732010
  C     -10.793215      4.849568      4.068811
  C     -10.016308      5.820727      4.745041
  C      -8.702512      5.559335      5.076201
  C      -8.121601      4.311827      4.739453
  C      -0.435459      1.735108      3.867518
  C      -0.458438      0.264686      4.174769
  C      -1.360550     -0.701423      3.884266
  C      -2.595302     -0.644620      3.105026
  N      -3.099310      0.542188      2.744408
  C      -4.250426      0.563885      2.029412
  N      -4.974715     -0.463199      1.640737
  C      -4.506239     -1.695478      2.002445
  C      -5.261673     -2.835495      1.637796
  C      -4.826933     -4.094935      1.990580
  C      -3.622047     -4.259123      2.712310
  C      -2.865912     -3.164654      3.080436
  C      -3.288335     -1.852855      2.744458
  C      -3.591648      0.481330      7.286092
  C      -4.801751      0.809525      8.112268
  C      -6.089649      0.486913      7.873412
  C      -6.585376     -0.343141      6.779620
  N      -5.716041     -1.141273      6.148959
  C      -6.198031     -1.930548      5.158081
  N      -7.441863     -2.019854      4.726485
  C      -8.350207     -1.199627      5.335963
  C      -9.694622     -1.219199      4.892055
  C     -10.623524     -0.375617      5.462453
  C     -10.246524      0.515816      6.493527
  C      -8.945983      0.547929      6.952975
  C      -7.967748     -0.311726      6.392891
  H      -3.756845      6.336629      6.508504
  H      -3.994600      5.589849      8.099805
  H      -4.866902      3.458690      6.864590
  H      -5.873602      5.926221      5.325015
  H      -6.734624      0.896046      3.844661
  H     -10.837463      2.860785      3.215501
  H     -11.829921      5.076266      3.814828
  H     -10.464050      6.780394      5.006613
  H      -8.113172      6.305798      5.610431
  H       0.486835      1.981050      3.308926
  H      -1.277086      2.032930      3.238217
  H       0.391020     -0.061764      4.785517
  H      -1.124424     -1.687504      4.284495
  H      -4.617296      1.560210      1.760185
  H      -6.188537     -2.677399      1.086039
  H      -5.413742     -4.972415      1.715393
  H      -3.287468     -5.262123      2.980448
  H      -1.939315     -3.324023      3.629930
  H      -3.227461     -0.538290      7.517528
  H      -3.860103      0.444342      6.220517
  H      -4.600919      1.434244      8.988868
  H      -6.837461      0.882811      8.561508
  H      -5.460491     -2.575932      4.671076
  H      -9.956705     -1.905382      4.086014
  H     -11.657161     -0.386834      5.113079
  H     -10.991411      1.185931      6.925126
  H      -8.672331      1.253592      7.737104
  N      -3.394814      2.777083      4.541630
  H      -3.323845      3.650731      4.008386
  H      -4.416928      2.661666      4.737841
  H      -3.150349      2.007157      3.876462
93
Coordinates from ORCA-job orca E -6201.167208858437
  N      -2.457674      4.711113      6.979392
  Mo     -2.025761      2.886373      6.277111
  N      -2.521686      1.454492      7.497547
  C      -1.722240      1.226955      8.699947
  C      -0.951953      2.496739      9.037088
  N      -0.431535      3.109207      7.782562
  C      -0.198348      4.574253      7.906549
  C      -1.529619      5.305983      7.940967
  C       0.770552      2.400285      7.264126
  C       0.881493      2.618257      5.761342
  N      -0.443061      2.477088      5.144115
  H      -1.351922      6.375098      7.719757
  H      -1.969338      5.275414      8.958816
  H       0.372675      4.880832      7.019444
  H       0.410479      4.797264      8.798943
  H       1.589527      1.876122      5.356947
  H       1.312887      3.610510      5.530909
  H       0.623039      1.329554      7.459955
  H       1.673509      2.733589      7.803663
  H      -2.364426      0.963447      9.559057
  H      -1.041724      0.366511      8.547409
  H      -1.635218      3.225571      9.492127
  H      -0.128262      2.303743      9.744609
  C      -3.769923      5.360910      7.040247
  C      -4.859805      4.491947      6.503998
  C      -5.816091      4.880664      5.644123
  C      -6.780445      3.944865      5.052232
  N      -6.330273      2.719765      4.761396
  C      -7.170407      1.871697      4.112904
  N      -8.408508      2.111230      3.734165
  C      -8.914903      3.337274      4.061343
  C     -10.256059      3.641722      3.724337
  C     -10.788645      4.870301      4.055708
  C     -10.008748      5.839164      4.731960
  C      -8.697478      5.571668      5.068097
  C      -8.121985      4.320102      4.736970
  C      -0.434970      1.740442      3.864967
  C      -0.454001      0.270383      4.172936
  C      -1.354297     -0.697476      3.883604
  C      -2.590719     -0.642768      3.106782
  N      -3.097045      0.543390      2.747574
  C      -4.250728      0.563910      2.036836
  N      -4.974684     -0.464240      1.649975
  C      -4.503754     -1.695909      2.010863
  C      -5.259768     -2.836744      1.649986
  C      -4.823199     -4.095579      2.002775
  C      -3.615690     -4.258356      2.720456
  C      -2.858909     -3.163108      3.084798
  C      -3.283316     -1.851906      2.748933
  C      -3.590789      0.478846      7.277240
  C      -4.800471      0.804410      8.104566
  C      -6.088301      0.480390      7.867029
  C      -6.585598     -0.348631      6.772910
  N      -5.717711     -1.146869      6.140325
  C      -6.202428     -1.937853      5.152061
  N      -7.447770     -2.029094      4.725010
  C      -8.354720     -1.209052      5.336857
  C      -9.701004     -1.231374      4.898924
  C     -10.629177     -0.389282      5.472753
  C     -10.249415      0.503453      6.501692
  C      -8.946902      0.538208      6.955439
  C      -7.969460     -0.319665      6.391523
  H      -3.758922      6.336221      6.517676
  H      -3.997128      5.582499      8.105695
  H      -4.866932      3.455608      6.862286
  H      -5.874131      5.927017      5.329865
  H      -6.751892      0.893214      3.859839
  H     -10.840665      2.879400      3.208053
  H     -11.823278      5.101757      3.797504
  H     -10.452027      6.802052      4.989330
  H      -8.106036      6.316920      5.601750
  H       0.486317      1.987810      3.305183
  H      -1.277713      2.036236      3.236267
  H       0.397291     -0.054326      4.782004
  H      -1.116128     -1.682890      4.284329
  H      -4.619799      1.559813      1.769144
  H      -6.188375     -2.679805      1.100781
  H      -5.410323     -4.973694      1.730232
  H      -3.279804     -5.260909      2.988699
  H      -1.930127     -3.321303      3.631104
  H      -3.225684     -0.541001      7.506110
  H      -3.859182      0.444710      6.211573
  H      -4.599228      1.427620      8.982199
  H      -6.835299      0.873141      8.557845
  H      -5.466788     -2.584813      4.664064
  H      -9.965186     -1.918691      4.094506
  H     -11.664205     -0.402371      5.127571
  H     -10.993739      1.172462      6.936020
  H      -8.671333      1.244185      7.738655
  N      -3.393853      2.780611      4.538827
  H      -3.317179      3.651919      4.002675
  H      -4.416967      2.671927      4.734610
  H      -3.153378      2.007157      3.876118
93
Coordinates from ORCA-job orca E -6201.167212687767
  N      -2.459953      4.709819      6.982065
  Mo     -2.027752      2.885769      6.278306
  N      -2.521224      1.452646      7.498349
  C      -1.719909      1.224329      8.699286
  C      -0.949982      2.494398      9.036865
  N      -0.431934      3.108596      7.782238
  C      -0.199850      4.573779      7.907299
  C      -1.531617      5.304354      7.943610
  C       0.770132      2.401003      7.261807
  C       0.879000      2.620036      5.759010
  N      -0.446147      2.477649      5.143219
  H      -1.354961      6.373852      7.723427
  H      -1.970578      5.272314      8.961735
  H       0.370158      4.881663      7.020008
  H       0.409537      4.796449      8.799395
  H       1.587498      1.879058      5.353285
  H       1.309014      3.612924      5.528757
  H       0.623888      1.330008      7.457067
  H       1.673496      2.734712      7.800428
  H      -2.360699      0.959653      9.559111
  H      -1.039246      0.364302      8.544934
  H      -1.633080      3.222215      9.493765
  H      -0.125063      2.301210      9.742891
  C      -3.772317      5.359128      7.043749
  C      -4.861802      4.490087      6.506853
  C      -5.817589      4.878956      5.646583
  C      -6.779546      3.942162      5.052466
  N      -6.325538      2.719048      4.758993
  C      -7.163189      1.869877      4.108626
  N      -8.401984      2.106579      3.730359
  C      -8.911878      3.330699      4.059520
  C     -10.253772      3.632076      3.722824
  C     -10.789678      4.858761      4.055997
  C     -10.012521      5.828644      4.733865
  C      -8.700637      5.564096      5.070000
  C      -8.121783      4.314591      4.737009
  C      -0.438371      1.742061      3.863406
  C      -0.454255      0.271611      4.170330
  C      -1.352968     -0.698076      3.881803
  C      -2.590486     -0.645934      3.106595
  N      -3.100951      0.539137      2.749606
  C      -4.255361      0.557033      2.039924
  N      -4.976625     -0.472737      1.652514
  C      -4.501567     -1.703459      2.011143
  C      -5.254232     -2.846135      1.649107
  C      -4.813328     -4.104111      1.999542
  C      -3.604772     -4.264134      2.716072
  C      -2.851191     -3.167029      3.081502
  C      -3.279960     -1.856665      2.747892
  C      -3.591010      0.477686      7.278989
  C      -4.799447      0.804044      8.108002
  C      -6.088144      0.483408      7.870588
  C      -6.587661     -0.341987      6.774808
  N      -5.721683     -1.140632      6.140136
  C      -6.208130     -1.927350      5.149336
  N      -7.453506     -2.013858      4.721499
  C      -8.358488     -1.193138      5.335344
  C      -9.704538     -1.210150      4.896396
  C     -10.630499     -0.366862      5.472043
  C     -10.248736      0.521801      6.503750
  C      -8.946438      0.551385      6.958449
  C      -7.971225     -0.307916      6.392763
  H      -3.761826      6.334801      6.521870
  H      -3.999443      5.579805      8.109408
  H      -4.868787      3.453696      6.864733
  H      -5.875942      5.925349      5.332565
  H      -6.741732      0.893235      3.853247
  H     -10.836229      2.869017      3.205203
  H     -11.824853      5.087902      3.797930
  H     -10.458463      6.789933      4.992596
  H      -8.111326      6.309951      5.605138
  H       0.481622      1.991639      3.302539
  H      -1.282630      2.036666      3.236150
  H       0.398575     -0.051727      4.777997
  H      -1.111755     -1.683246      4.281274
  H      -4.627632      1.552160      1.773737
  H      -6.183869     -2.691287      1.101073
  H      -5.397915     -4.983669      1.726211
  H      -3.265440     -5.266014      2.982469
  H      -1.921557     -3.323113      3.626902
  H      -3.226472     -0.542539      7.507103
  H      -3.860930      0.443962      6.213711
  H      -4.596324      1.425421      8.986488
  H      -6.833984      0.876941      8.562203
  H      -5.473842     -2.574610      4.659806
  H      -9.970314     -1.894374      4.089876
  H     -11.665365     -0.375956      5.126250
  H     -10.991315      1.191802      6.939523
  H      -8.669192      1.254549      7.743592
  N      -3.397364      2.778733      4.541270
  H      -3.323519      3.651053      4.006278
  H      -4.419875      2.667318      4.737760
  H      -3.155626      2.006878      3.877051
93
Coordinates from ORCA-job orca E -6201.167214055633
  N      -2.459910      4.709913      6.980200
  Mo     -2.027507      2.885244      6.278165
  N      -2.520783      1.453089      7.499551
  C      -1.719576      1.225714      8.700669
  C      -0.949851      2.496061      9.037484
  N      -0.432017      3.109482      7.782295
  C      -0.200170      4.574824      7.906590
  C      -1.532089      5.305062      7.941939
  C       0.770376      2.401698      7.262702
  C       0.879377      2.619570      5.759744
  N      -0.445597      2.476046      5.143735
  H      -1.355535      6.374473      7.721291
  H      -1.971595      5.273406      8.959826
  H       0.370253      4.882392      7.019480
  H       0.408668      4.797994      8.798919
  H       1.588437      1.878794      5.354660
  H       1.308943      3.612501      5.528961
  H       0.624453      1.330822      7.458727
  H       1.673538      2.736053      7.801264
  H      -2.360396      0.961573      9.560672
  H      -1.038873      0.365612      8.546982
  H      -1.633129      3.224001      9.493917
  H      -0.124777      2.303589      9.743496
  C      -3.772297      5.359460      7.040670
  C      -4.862129      4.490203      6.504664
  C      -5.818246      4.879581      5.644949
  C      -6.781587      3.943664      5.051507
  N      -6.328201      2.720931      4.755474
  C      -7.167017      1.872944      4.104888
  N      -8.406220      2.110553      3.728649
  C      -8.915356      3.334335      4.060329
  C     -10.257625      3.636588      3.726108
  C     -10.792654      4.862993      4.061798
  C     -10.014190      5.831728      4.739734
  C      -8.701879      5.566326      5.073579
  C      -8.123998      4.317058      4.738084
  C      -0.437198      1.738940      3.864825
  C      -0.456073      0.268779      4.173435
  C      -1.355801     -0.699908      3.884466
  C      -2.591555     -0.646908      3.106476
  N      -3.099316      0.538351      2.746119
  C      -4.251775      0.556684      2.033227
  N      -4.974089     -0.472561      1.646503
  C      -4.501734     -1.703399      2.008149
  C      -5.255027     -2.845602      1.645917
  C      -4.816305     -4.103670      1.998687
  C      -3.609409     -4.264290      2.717885
  C      -2.855339     -3.167644      3.083694
  C      -3.281904     -1.857165      2.747730
  C      -3.590552      0.478056      7.281126
  C      -4.799167      0.805152      8.109860
  C      -6.087591      0.483677      7.872448
  C      -6.585488     -0.343053      6.777055
  N      -5.717497     -1.139747      6.142754
  C      -6.201552     -1.926411      5.150775
  N      -7.446185     -2.014046      4.721081
  C      -8.353135     -1.195046      5.334322
  C      -9.698428     -1.213075      4.893043
  C     -10.626120     -0.371120      5.467820
  C     -10.246988      0.517101      6.500874
  C      -8.945514      0.547700      6.957782
  C      -7.968507     -0.310270      6.393063
  H      -3.761554      6.334448      6.517574
  H      -3.999554      5.581589      8.105993
  H      -4.869371      3.454228      6.863581
  H      -5.876142      5.925960      5.330850
  H      -6.746271      0.896583      3.847349
  H     -10.841079      2.874368      3.208377
  H     -11.828143      5.092814      3.805634
  H     -10.459462      6.792796      5.000404
  H      -8.111519      6.311166      5.608951
  H       0.483781      1.986311      3.304635
  H      -1.280277      2.034038      3.236236
  H       0.394864     -0.055041      4.783497
  H      -1.116974     -1.684999      4.285580
  H      -4.621849      1.551914      1.764356
  H      -6.183364     -2.690260      1.095842
  H      -5.401364     -4.982864      1.725218
  H      -3.271714     -5.266260      2.985991
  H      -1.927070     -3.324210      3.631268
  H      -3.226256     -0.541974      7.510403
  H      -3.860470      0.442957      6.215886
  H      -4.596373      1.427462      8.987741
  H      -6.834026      0.877490      8.563269
  H      -5.465383     -2.571535      4.661292
  H      -9.962192     -1.896901      4.085538
  H     -11.660417     -0.381052      5.120357
  H     -10.990959      1.185974      6.935988
  H      -8.670304      1.250697      7.743790
  N      -3.396645      2.774974      4.540790
  H      -3.323884      3.646941      4.005002
  H      -4.419061      2.662653      4.737433
  H      -3.153955      2.002635      3.877542
93
Coordinates from ORCA-job orca E -6201.167215565733
  N      -2.460727      4.709371      6.982426
  Mo     -2.028233      2.885713      6.278070
  N      -2.520355      1.451800      7.497805
  C      -1.718575      1.223324      8.698371
  C      -0.949168      2.493558      9.036299
  N      -0.432068      3.108696      7.781667
  C      -0.200668      4.573952      7.907821
  C      -1.532822      5.303757      7.944522
  C       0.770331      2.402112      7.260518
  C       0.878409      2.622032      5.757780
  N      -0.446785      2.478356      5.142262
  H      -1.356718      6.373480      7.725016
  H      -1.971954      5.270794      8.962535
  H       0.369350      4.882874      7.020917
  H       0.408420      4.796147      8.800226
  H       1.587774      1.882303      5.351332
  H       1.307083      3.615601      5.528069
  H       0.624933      1.330914      7.455236
  H       1.673633      2.736167      7.799029
  H      -2.359002      0.957974      9.558275
  H      -1.037596      0.363666      8.543427
  H      -1.632501      3.220768      9.493809
  H      -0.123733      2.300591      9.741762
  C      -3.773243      5.358485      7.043749
  C      -4.862697      4.489632      6.506363
  C      -5.818557      4.879606      5.646654
  C      -6.781549      3.943999      5.052268
  N      -6.328613      2.720809      4.757474
  C      -7.167182      1.872984      4.106436
  N      -8.405820      2.111134      3.728625
  C      -8.914632      3.335338      4.059199
  C     -10.256368      3.638163      3.723270
  C     -10.791153      4.864966      4.057841
  C     -10.012959      5.833546      4.736333
  C      -8.701170      5.567590      5.071773
  C      -8.123511      4.317908      4.737418
  C      -0.438911      1.741324      3.863333
  C      -0.455338      0.271134      4.171793
  C      -1.354013     -0.698747      3.883717
  C      -2.590988     -0.647237      3.107568
  N      -3.101400      0.537497      2.749348
  C      -4.255125      0.554644      2.038498
  N      -4.976093     -0.475482      1.651558
  C      -4.500990     -1.705882      2.011149
  C      -5.252957     -2.848995      1.649034
  C      -4.811621     -4.106661      2.000008
  C      -3.603318     -4.265948      2.717144
  C      -2.850488     -3.168395      3.082766
  C      -3.279772     -1.858322      2.748703
  C      -3.590548      0.477185      7.279242
  C      -4.798788      0.804433      8.108365
  C      -6.087483      0.483689      7.871270
  C      -6.586435     -0.342648      6.775981
  N      -5.719678     -1.141027      6.142091
  C      -6.205097     -1.928120      5.151102
  N      -7.450045     -2.014849      4.722130
  C      -8.355783     -1.194293      5.335090
  C      -9.701389     -1.211478      4.894766
  C     -10.627964     -0.368219      5.469447
  C     -10.247339      0.520534      6.501491
  C      -8.945517      0.550329      6.957493
  C      -7.969653     -0.308922      6.392795
  H      -3.762659      6.334252      6.522079
  H      -4.000729      5.578960      8.109375
  H      -4.869992      3.453246      6.864142
  H      -5.876393      5.926228      5.333347
  H      -6.746710      0.896211      3.849972
  H     -10.839606      2.876048      3.205140
  H     -11.826227      5.095217      3.800374
  H     -10.458003      6.794960      4.996126
  H      -8.111083      6.312415      5.607477
  H       0.481137      1.989953      3.302151
  H      -1.283057      2.035372      3.235663
  H       0.396961     -0.051691      4.780485
  H      -1.113233     -1.683606      4.284234
  H      -4.627318      1.549524      1.771274
  H      -6.182379     -2.694686      1.100496
  H      -5.395630     -4.986576      1.726597
  H      -3.263565     -5.267609      2.983810
  H      -1.921033     -3.323908      3.628627
  H      -3.226450     -0.543022      7.508048
  H      -3.860696      0.442651      6.214058
  H      -4.595397      1.426342      8.986403
  H      -6.833422      0.877675      8.562527
  H      -5.470016     -2.574842      4.662069
  H      -9.966304     -1.895770      4.088030
  H     -11.662485     -0.377457      5.122633
  H     -10.990423      1.190456      6.936515
  H      -8.669157      1.253641      7.742818
  N      -3.398049      2.775596      4.541197
  H      -3.324513      3.647179      4.004919
  H      -4.420534      2.664531      4.738026
  H      -3.156278      2.002768      3.878121
93
Coordinates from ORCA-job orca E -6201.167216592344
  N      -2.462181      4.708483      6.985372
  Mo     -2.029377      2.886261      6.277898
  N      -2.519276      1.449766      7.495453
  C      -1.716438      1.219867      8.695069
  C      -0.947777      2.490112      9.034549
  N      -0.432173      3.107918      7.780595
  C      -0.201750      4.573113      7.909574
  C      -1.534423      5.301893      7.948187
  C       0.770407      2.403382      7.257088
  C       0.876851      2.626232      5.754653
  N      -0.448642      2.481578      5.139933
  H      -1.359245      6.372131      7.730467
  H      -1.973161      5.266780      8.966299
  H       0.367728      4.884260      7.023107
  H       0.407508      4.793906      8.802208
  H       1.587085      1.888492      5.346144
  H       1.303645      3.620962      5.526499
  H       0.626161      1.331687      7.449952
  H       1.673874      2.737311      7.795404
  H      -2.356088      0.952573      9.554934
  H      -1.034888      0.361019      8.538171
  H      -1.631335      3.216036      9.493758
  H      -0.121584      2.296686      9.738998
  C      -3.774921      5.356961      7.047510
  C      -4.863894      4.488612      6.508346
  C      -5.819543      4.879780      5.648953
  C      -6.782514      3.945011      5.053316
  N      -6.330325      2.721433      4.759023
  C      -7.168924      1.874329      4.107134
  N      -8.406960      2.113532      3.727970
  C      -8.915102      3.338133      4.058089
  C     -10.256238      3.642065      3.720714
  C     -10.790422      4.869246      4.054832
  C     -10.012188      5.837116      4.734293
  C      -8.700967      5.570085      5.071106
  C      -8.123909      4.319995      4.737230
  C      -0.441364      1.743614      3.861578
  C      -0.455299      0.273576      4.170926
  C      -1.352689     -0.697847      3.884169
  C      -2.590460     -0.648637      3.109117
  N      -3.103695      0.535189      2.752021
  C      -4.258269      0.550343      2.042504
  N      -4.977480     -0.481101      1.655788
  C      -4.499479     -1.710692      2.014352
  C      -5.249587     -2.855177      1.652717
  C      -4.805335     -4.112077      2.002792
  C      -3.595842     -4.269209      2.718407
  C      -2.844796     -3.170284      3.083536
  C      -3.277137     -1.860963      2.750479
  C      -3.590123      0.475773      7.277090
  C      -4.797800      0.803400      8.106857
  C      -6.086837      0.483681      7.870150
  C      -6.586830     -0.341934      6.774726
  N      -5.721100     -1.141393      6.140792
  C      -6.207598     -1.928161      5.150061
  N      -7.452754     -2.013732      4.721479
  C      -8.357474     -1.192140      5.334569
  C      -9.703258     -1.208110      4.894765
  C     -10.628837     -0.363914      5.469687
  C     -10.247002      0.524604      6.501482
  C      -8.944972      0.553242      6.956987
  C      -7.970129     -0.306957      6.391996
  H      -3.764528      6.333635      6.527527
  H      -4.002826      5.575484      8.113457
  H      -4.871381      3.451752      6.864768
  H      -5.877127      5.926782      5.336895
  H      -6.749057      0.897132      3.851275
  H     -10.839499      2.880459      3.201859
  H     -11.825038      5.100334      3.796271
  H     -10.456725      6.798867      4.993715
  H      -8.110925      6.314448      5.607499
  H       0.477634      1.993095      3.299041
  H      -1.286697      2.036053      3.234743
  H       0.398160     -0.047672      4.778831
  H      -1.110043     -1.682127      4.284989
  H      -4.632691      1.544591      1.776050
  H      -6.179926     -2.702524      1.105263
  H      -5.387872     -4.993073      1.729703
  H      -3.253767     -5.270291      2.984286
  H      -1.914303     -3.324096      3.628121
  H      -3.226397     -0.544649      7.505498
  H      -3.860746      0.441632      6.212043
  H      -4.593531      1.424728      8.985115
  H      -6.832218      0.877845      8.561906
  H      -5.473383     -2.575976      4.661154
  H      -9.969116     -1.892256      4.088212
  H     -11.663479     -0.372177      5.123211
  H     -10.989305      1.195267      6.936702
  H      -8.667684      1.256294      7.742223
  N      -3.400289      2.774739      4.541871
  H      -3.326319      3.645623      4.004505
  H      -4.422778      2.664909      4.739203
  H      -3.159410      2.001046      3.879396
