95
Coordinates from ORCA-job orca E -6715.085779478916
  N      -2.853599      0.599259      4.417623
  Mo     -3.589255      2.317473      5.090092
  N      -4.815774      1.477966      6.300806
  C      -4.357548      0.710089      7.439431
  C      -2.878398      0.368032      7.261797
  N      -2.185254      1.504309      6.625727
  C      -0.986100      1.040609      5.922120
  C      -1.434493      0.378464      4.595274
  C      -1.820716      2.499199      7.647248
  C      -1.844642      3.860654      6.962791
  N      -3.059299      3.847717      6.197332
  H      -0.865692      0.819607      3.763343
  H      -1.198911     -0.692034      4.635702
  H      -0.352872      1.904566      5.712836
  H      -0.424781      0.336478      6.548327
  H      -1.838725      4.665709      7.704432
  H      -0.969417      3.998636      6.305250
  H      -2.598461      2.507024      8.414310
  H      -0.853644      2.262370      8.102893
  H      -4.940409     -0.219152      7.550680
  H      -4.506292      1.295668      8.357895
  H      -2.782329     -0.507877      6.620080
  H      -2.414612      0.137291      8.227854
  C       0.212268     -1.725572     -2.051587
  C      -1.278315     -1.547563     -2.032408
  O      -1.922732     -1.538527     -3.072422
  C      -1.958928     -1.378921     -0.730846
  C      -3.341865     -1.191328     -0.768948
  C      -4.113316     -1.024731      0.367722
  O      -5.441038     -0.855998      0.222665
  C      -3.483466     -1.015554      1.642938
  C      -4.277564     -0.799203      2.831570
  O      -5.528020     -0.755723      2.775827
  C      -3.644933     -0.600592      4.212451
  C      -2.094682     -1.223977      1.675699
  C      -1.334137     -1.403342      0.537507
  O       0.002041     -1.606567      0.641939
  C      -9.917098      9.280628      5.868468
  C      -9.777715      8.007886      5.082694
  O     -10.733428      7.613960      4.382575
  C      -8.542461      7.258980      5.158663
  C      -7.504823      7.595305      6.048785
  C      -6.345385      6.862832      6.144056
  O      -5.364578      7.207840      7.019453
  C      -6.162066      5.713927      5.330322
  C      -5.042294      4.828113      5.430859
  O      -4.986529      3.784690      4.721164
  C      -3.863572      5.026980      6.326526
  C      -7.187952      5.391417      4.423405
  C      -8.350620      6.123265      4.326128
  O      -9.283313      5.726886      3.438118
  C     -12.470124      5.902705      6.665711
  C     -11.166845      6.243748      7.349174
  O     -11.088932      7.276398      8.007875
  C     -10.007552      5.340248      7.254799
  C      -8.952083      5.634942      8.128123
  C      -7.789573      4.894379      8.191545
  O      -6.834854      5.278166      9.058633
  C      -7.634752      3.766118      7.342181
  C      -6.388459      3.023367      7.365165
  O      -5.470411      3.319506      8.147206
  C      -6.202689      1.833884      6.422215
  C      -8.692805      3.465425      6.475523
  C      -9.849478      4.221938      6.405412
  O     -10.753218      3.810693      5.480532
  H       0.696419     -0.876479     -1.575808
  H       0.546675     -1.815567     -3.082506
  H       0.487226     -2.617696     -1.494281
  H      -3.829743     -1.185711     -1.731885
  H      -5.825590     -0.830538      1.137576
  H      -4.508913     -0.573336      4.895042
  H      -3.060089     -1.505717      4.430810
  H      -1.599347     -1.263065      2.630644
  H       0.262273     -1.603297      1.574183
  H     -10.051838      9.027189      6.920891
  H      -9.044153      9.916798      5.757857
  H     -10.805637      9.808435      5.528940
  H      -7.635591      8.442161      6.704969
  H      -5.665549      7.946656      7.566669
  H      -3.322806      5.943559      6.033930
  H      -4.184783      5.162999      7.369922
  H      -7.076818      4.524300      3.791899
  H     -10.052408      6.343839      3.551477
  H     -12.405074      6.184590      5.612206
  H     -12.731290      4.852787      6.772460
  H     -13.253606      6.514074      7.111248
  H      -9.061431      6.483746      8.786086
  H      -6.087021      4.633618      8.950150
  H      -6.590427      2.100185      5.436113
  H      -6.811023      1.005188      6.823087
  H      -8.638168      2.621169      5.808610
  H     -11.409274      4.496105      5.306591
  N      -2.501952      3.231702      3.503001
  N      -1.862843      3.769080      2.570119
  H      -0.863333      3.542854      2.619898
95
Coordinates from ORCA-job orca E -6715.106218915086
  N      -2.830501      0.570384      4.460757
  Mo     -3.526047      2.311052      5.137535
  N      -4.775602      1.494842      6.369861
  C      -4.305331      0.728470      7.520305
  C      -2.833699      0.366809      7.332069
  N      -2.121759      1.493688      6.672222
  C      -0.930692      0.999591      5.946337
  C      -1.404461      0.329787      4.626460
  C      -1.731569      2.509290      7.680729
  C      -1.735524      3.859476      6.973236
  N      -2.961242      3.860544      6.211720
  H      -0.834766      0.756293      3.784641
  H      -1.187674     -0.747355      4.666569
  H      -0.285751      1.855943      5.722298
  H      -0.369435      0.293532      6.576907
  H      -1.708694      4.680022      7.703127
  H      -0.858250      3.968476      6.309514
  H      -2.504299      2.538048      8.457178
  H      -0.761714      2.260573      8.133165
  H      -4.894817     -0.197061      7.645242
  H      -4.441953      1.324123      8.436946
  H      -2.750952     -0.518283      6.695485
  H      -2.359429      0.138427      8.297384
  C       0.102441     -1.717977     -2.150657
  C      -1.379254     -1.461973     -2.064575
  O      -2.054976     -1.377286     -3.084473
  C      -2.039290     -1.303861     -0.729471
  C      -3.412465     -1.043053     -0.756319
  C      -4.176082     -0.874302      0.393787
  O      -5.491902     -0.632288      0.259003
  C      -3.540963     -0.941851      1.669121
  C      -4.322529     -0.724728      2.874014
  O      -5.566655     -0.613857      2.829007
  C      -3.672247     -0.600299      4.259869
  C      -2.161837     -1.222932      1.693753
  C      -1.409600     -1.404460      0.541985
  O      -0.078648     -1.682592      0.633165
  C      -9.905014      9.276163      5.850790
  C      -9.716531      8.022966      5.041437
  O     -10.652808      7.607684      4.323568
  C      -8.458965      7.288763      5.115132
  C      -7.426589      7.639617      6.007334
  C      -6.258778      6.906948      6.111433
  O      -5.289585      7.232903      7.012247
  C      -6.067402      5.756177      5.294341
  C      -4.948863      4.861992      5.418538
  O      -4.905379      3.789176      4.731407
  C      -3.762558      5.058845      6.310750
  C      -7.086416      5.421800      4.380987
  C      -8.261535      6.145979      4.284966
  O      -9.207766      5.718596      3.427461
  C     -12.586003      5.743437      6.555088
  C     -11.298984      6.152049      7.237754
  O     -11.248219      7.227900      7.833248
  C     -10.106768      5.263128      7.209551
  C      -9.071286      5.619552      8.086312
  C      -7.886980      4.907425      8.188093
  O      -6.935244      5.365200      9.026676
  C      -7.699414      3.743738      7.383516
  C      -6.424406      3.039578      7.432752
  O      -5.522741      3.385430      8.223344
  C      -6.180976      1.847060      6.495892
  C      -8.739637      3.380034      6.513210
  C      -9.913201      4.114498      6.397466
  O     -10.783938      3.670279      5.450366
  H       0.658010     -0.912564     -1.658188
  H       0.390104     -1.782338     -3.203668
  H       0.356420     -2.651480     -1.636860
  H      -3.902819     -0.978857     -1.725266
  H      -5.867480     -0.612868      1.185255
  H      -4.531242     -0.549483      4.947576
  H      -3.119863     -1.533825      4.464068
  H      -1.662720     -1.321371      2.654106
  H       0.181000     -1.725594      1.569518
  H     -10.048966      8.990304      6.904348
  H      -9.043910      9.946810      5.769496
  H     -10.808921      9.786506      5.507649
  H      -7.569420      8.489729      6.671675
  H      -5.599079      7.968839      7.568877
  H      -3.209122      5.964748      5.997181
  H      -4.081134      5.227902      7.351759
  H      -6.970607      4.540114      3.756646
  H     -10.002199      6.309440      3.581463
  H     -12.509459      5.959923      5.478683
  H     -12.830779      4.688096      6.720092
  H     -13.393652      6.367009      6.950171
  H      -9.207352      6.502518      8.706294
  H      -6.170792      4.727795      8.942888
  H      -6.579813      2.092981      5.505183
  H      -6.770120      1.002833      6.898144
  H      -8.648818      2.511967      5.865703
  H     -11.427653      4.362506      5.219986
  N      -2.415837      3.179175      3.557735
  N      -1.796558      3.688846      2.647721
  H      -0.778699      3.456520      2.691359
95
Coordinates from ORCA-job orca E -6715.114221606331
  N      -2.811152      0.511849      4.513338
  Mo     -3.482115      2.268572      5.198398
  N      -4.756639      1.474456      6.451461
  C      -4.270410      0.727342      7.620748
  C      -2.804974      0.349311      7.422257
  N      -2.077656      1.464700      6.733215
  C      -0.893746      0.945932      5.986404
  C      -1.381313      0.262213      4.675001
  C      -1.673144      2.510679      7.720376
  C      -1.668549      3.847678      6.988110
  N      -2.900445      3.851225      6.226827
  H      -0.810049      0.674186      3.825544
  H      -1.180114     -0.820124      4.715995
  H      -0.245377      1.799166      5.749804
  H      -0.328874      0.247104      6.625830
  H      -1.632142      4.683242      7.704598
  H      -0.788263      3.937323      6.323369
  H      -2.441889      2.551155      8.503514
  H      -0.701214      2.257831      8.172237
  H      -4.863202     -0.193655      7.770248
  H      -4.396931      1.343883      8.528058
  H      -2.727259     -0.546360      6.795576
  H      -2.316917      0.132621      8.385919
  C       0.004030     -1.641402     -2.199511
  C      -1.455249     -1.280484     -2.085967
  O      -2.127763     -1.081424     -3.093308
  C      -2.114672     -1.153721     -0.729348
  C      -3.464891     -0.793067     -0.740477
  C      -4.217251     -0.640478      0.427292
  O      -5.511664     -0.298942      0.320261
  C      -3.583551     -0.833755      1.692117
  C      -4.355502     -0.638412      2.912973
  O      -5.585250     -0.433952      2.873909
  C      -3.695346     -0.626658      4.303499
  C      -2.225791     -1.213564      1.700367
  C      -1.489508     -1.378438      0.530678
  O      -0.174950     -1.759657      0.576857
  C      -9.947953      9.202380      5.677677
  C      -9.728024      7.927718      4.912991
  O     -10.657003      7.453944      4.219062
  C      -8.448949      7.209901      5.006839
  C      -7.428413      7.604048      5.893446
  C      -6.250226      6.881246      6.029238
  O      -5.285858      7.232231      6.930028
  C      -6.044437      5.708187      5.241752
  C      -4.912252      4.829693      5.400773
  O      -4.865883      3.727156      4.742073
  C      -3.722789      5.048928      6.289470
  C      -7.053102      5.327878      4.332163
  C      -8.240744      6.040027      4.209949
  O      -9.176024      5.588288      3.356678
  C     -12.588326      5.729541      6.544140
  C     -11.310190      6.155983      7.232060
  O     -11.268366      7.236050      7.821039
  C     -10.099178      5.269136      7.221652
  C      -9.068116      5.642690      8.095412
  C      -7.881263      4.925560      8.205305
  O      -6.920893      5.388810      9.034151
  C      -7.702641      3.745219      7.416988
  C      -6.425386      3.037502      7.483895
  O      -5.523753      3.409994      8.269211
  C      -6.167762      1.833128      6.566491
  C      -8.738162      3.367097      6.542820
  C      -9.909843      4.110279      6.414597
  O     -10.789173      3.656904      5.473507
  H       0.627657     -0.913455     -1.656843
  H       0.280195     -1.659510     -3.260695
  H       0.194730     -2.625385     -1.742568
  H      -3.946680     -0.634427     -1.708236
  H      -5.870472     -0.300870      1.259787
  H      -4.547715     -0.563429      4.997627
  H      -3.173586     -1.586598      4.478815
  H      -1.731567     -1.410093      2.655421
  H       0.086499     -1.885464      1.507556
  H     -10.081603      8.947086      6.744772
  H      -9.101718      9.897936      5.575829
  H     -10.869186      9.677186      5.319662
  H      -7.584318      8.477571      6.533214
  H      -5.607475      7.979021      7.470646
  H      -3.174566      5.953992      5.956408
  H      -4.043326      5.246913      7.327052
  H      -6.920387      4.425909      3.732609
  H      -9.965879      6.210093      3.481611
  H     -12.507978      5.934859      5.459655
  H     -12.822673      4.666305      6.708791
  H     -13.409540      6.349170      6.925809
  H      -9.206785      6.538855      8.704078
  H      -6.170662      4.723938      8.962983
  H      -6.569868      2.056973      5.569133
  H      -6.751365      0.986047      6.975363
  H      -8.643102      2.487006      5.903259
  H     -11.425913      4.357892      5.235959
  N      -2.342223      3.081634      3.638345
  N      -1.743297      3.570170      2.744344
  H      -0.698388      3.373095      2.771193
95
Coordinates from ORCA-job orca E -6715.118350101705
  N      -2.820076      0.469828      4.547853
  Mo     -3.465201      2.241846      5.230422
  N      -4.756206      1.479657      6.503597
  C      -4.261808      0.753348      7.683046
  C      -2.804596      0.353628      7.475335
  N      -2.064471      1.448068      6.762182
  C      -0.894698      0.901410      6.007602
  C      -1.395274      0.204244      4.709859
  C      -1.643027      2.513204      7.724204
  C      -1.625994      3.836937      6.970069
  N      -2.858512      3.847461      6.211755
  H      -0.820402      0.594743      3.853099
  H      -1.213620     -0.881353      4.760095
  H      -0.240118      1.745488      5.758149
  H      -0.332683      0.209364      6.656225
  H      -1.576696      4.683538      7.672468
  H      -0.745529      3.905783      6.303606
  H      -2.406311      2.569117      8.511076
  H      -0.672514      2.253448      8.174729
  H      -4.861693     -0.158645      7.855911
  H      -4.374828      1.388936      8.578750
  H      -2.737026     -0.550151      6.859146
  H      -2.306650      0.146271      8.435700
  C      -0.050774     -1.569932     -2.179808
  C      -1.486295     -1.132120     -2.061750
  O      -2.136196     -0.844964     -3.060987
  C      -2.156381     -1.032690     -0.703280
  C      -3.482012     -0.597624     -0.709941
  C      -4.235462     -0.461276      0.460801
  O      -5.508677     -0.048204      0.365624
  C      -3.620691     -0.750704      1.716058
  C      -4.390859     -0.571274      2.941345
  O      -5.605229     -0.289158      2.908139
  C      -3.730032     -0.643406      4.329117
  C      -2.285889     -1.204548      1.717966
  C      -1.553830     -1.353405      0.545138
  O      -0.261599     -1.809849      0.567850
  C      -9.906599      9.168033      5.596078
  C      -9.673498      7.907351      4.817276
  O     -10.593831      7.436909      4.108509
  C      -8.391622      7.191171      4.912710
  C      -7.370643      7.604750      5.787666
  C      -6.193979      6.882376      5.935675
  O      -5.228849      7.239660      6.833394
  C      -5.993507      5.695392      5.168756
  C      -4.868709      4.815552      5.356824
  O      -4.839399      3.689370      4.731292
  C      -3.678741      5.047558      6.241729
  C      -7.001488      5.296269      4.266346
  C      -8.192135      6.004358      4.138021
  O      -9.143798      5.524394      3.321784
  C     -12.640164      5.633860      6.589612
  C     -11.352653      6.097549      7.230375
  O     -11.302290      7.203625      7.764540
  C     -10.129634      5.219992      7.235467
  C      -9.097575      5.632299      8.086622
  C      -7.900140      4.931856      8.201813
  O      -6.930883      5.434069      8.994794
  C      -7.720068      3.731361      7.444851
  C      -6.433443      3.039585      7.510499
  O      -5.530578      3.428732      8.287190
  C      -6.165710      1.832877      6.605627
  C      -8.758170      3.315823      6.591120
  C      -9.937406      4.044237      6.454036
  O     -10.814404      3.565227      5.522617
  H       0.608145     -0.910512     -1.594437
  H       0.234572     -1.550852     -3.237663
  H       0.080430     -2.582793     -1.769011
  H      -3.942254     -0.366872     -1.672408
  H      -5.868723     -0.073248      1.306462
  H      -4.575444     -0.573707      5.030920
  H      -3.229178     -1.617622      4.478403
  H      -1.810734     -1.474653      2.663941
  H      -0.014860     -2.001227      1.490773
  H     -10.052641      8.897157      6.656691
  H      -9.061549      9.866792      5.519646
  H     -10.823978      9.645585      5.234059
  H      -7.523255      8.490264      6.409771
  H      -5.551166      7.991331      7.364976
  H      -3.125543      5.942615      5.890650
  H      -3.999235      5.274705      7.273689
  H      -6.873068      4.379292      3.691727
  H      -9.941934      6.134847      3.475581
  H     -12.583086      5.783822      5.494886
  H     -12.864560      4.578633      6.805032
  H     -13.457927      6.267157      6.953895
  H      -9.240959      6.544827      8.667357
  H      -6.176734      4.768238      8.929576
  H      -6.568779      2.037852      5.605059
  H      -6.742506      0.982415      7.017740
  H      -8.654199      2.425095      5.970464
  H     -11.440374      4.263809      5.258474
  N      -2.301679      2.995917      3.680184
  N      -1.704186      3.470765      2.770263
  H      -0.648453      3.307433      2.778088
95
Coordinates from ORCA-job orca E -6715.120913091437
  N      -2.825398      0.430844      4.597895
  Mo     -3.443871      2.215393      5.282075
  N      -4.734962      1.484837      6.587395
  C      -4.218394      0.787433      7.773016
  C      -2.771618      0.366913      7.541497
  N      -2.029315      1.437789      6.794646
  C      -0.880846      0.864106      6.025781
  C      -1.405148      0.149503      4.750077
  C      -1.583086      2.522379      7.723800
  C      -1.567467      3.831796      6.946857
  N      -2.807658      3.844309      6.205309
  H      -0.833478      0.514556      3.879803
  H      -1.241507     -0.938364      4.814061
  H      -0.223757      1.698979      5.754592
  H      -0.313985      0.181357      6.679757
  H      -1.500477      4.688923      7.634777
  H      -0.694747      3.883751      6.268860
  H      -2.331734      2.593723      8.522821
  H      -0.608148      2.259961      8.162893
  H      -4.820694     -0.115880      7.980539
  H      -4.308104      1.444338      8.654971
  H      -2.721843     -0.545769      6.936975
  H      -2.253971      0.170086      8.493583
  C      -0.167611     -1.492327     -2.196254
  C      -1.570472     -0.974996     -2.035665
  O      -2.208096     -0.591126     -3.008656
  C      -2.231395     -0.908588     -0.666654
  C      -3.525420     -0.392331     -0.650602
  C      -4.270464     -0.271614      0.527710
  O      -5.515389      0.222311      0.457423
  C      -3.673678     -0.663517      1.763135
  C      -4.429472     -0.499007      2.999533
  O      -5.623643     -0.136853      2.991369
  C      -3.757420     -0.660299      4.372709
  C      -2.369492     -1.198207      1.742195
  C      -1.649892     -1.331552      0.561852
  O      -0.388452     -1.868289      0.556596
  C      -9.852762      9.141328      5.603743
  C      -9.639445      7.862168      4.852571
  O     -10.589071      7.355331      4.209450
  C      -8.348266      7.159480      4.913389
  C      -7.302971      7.601996      5.743259
  C      -6.125831      6.880630      5.882875
  O      -5.134780      7.261994      6.741650
  C      -5.951860      5.667823      5.150928
  C      -4.829344      4.789414      5.349766
  O      -4.820853      3.641927      4.757629
  C      -3.629151      5.041211      6.214350
  C      -6.981815      5.243793      4.285155
  C      -8.173742      5.951640      4.166346
  O      -9.146545      5.460678      3.384016
  C     -12.657317      5.514040      6.429988
  C     -11.385669      6.028465      7.059843
  O     -11.353736      7.161273      7.533807
  C     -10.149887      5.167114      7.128140
  C      -9.136163      5.638273      7.968282
  C      -7.930922      4.959748      8.132520
  O      -6.977007      5.512204      8.908285
  C      -7.729625      3.725876      7.438582
  C      -6.434582      3.055397      7.540862
  O      -5.536738      3.495534      8.295876
  C      -6.144193      1.825418      6.678253
  C      -8.751500      3.251830      6.596353
  C      -9.937310      3.956216      6.410545
  O     -10.802796      3.415666      5.501391
  H       0.536661     -0.913654     -1.581423
  H       0.107684     -1.428214     -3.254573
  H      -0.093870     -2.531858     -1.845429
  H      -3.966621     -0.083252     -1.599085
  H      -5.873532      0.176307      1.399608
  H      -4.587828     -0.594709      5.093431
  H      -3.270839     -1.645190      4.482465
  H      -1.912670     -1.545037      2.671435
  H      -0.159780     -2.127033      1.467825
  H      -9.943479      8.902913      6.677694
  H      -9.022587      9.847736      5.470648
  H     -10.791964      9.597187      5.272609
  H      -7.435728      8.506225      6.340672
  H      -5.442589      8.028627      7.259564
  H      -3.081298      5.930160      5.840398
  H      -3.938132      5.293137      7.244230
  H      -6.869801      4.310474      3.735887
  H      -9.924935      6.103957      3.520853
  H     -12.590025      5.605260      5.329837
  H     -12.866835      4.467228      6.691448
  H     -13.489148      6.152531      6.748681
  H      -9.299387      6.577143      8.498039
  H      -6.219367      4.844175      8.891768
  H      -6.549012      1.989232      5.671115
  H      -6.711767      0.977240      7.109075
  H      -8.625365      2.334667      6.021791
  H     -11.431083      4.091854      5.191977
  N      -2.278591      2.908856      3.729824
  N      -1.698808      3.369013      2.793924
  H      -0.639954      3.242301      2.782346
95
Coordinates from ORCA-job orca E -6715.123024310959
  N      -2.828926      0.387113      4.624379
  Mo     -3.450370      2.173318      5.307589
  N      -4.749348      1.459227      6.622053
  C      -4.223650      0.781207      7.811542
  C      -2.781675      0.351739      7.573950
  N      -2.037230      1.412688      6.816397
  C      -0.891180      0.829465      6.052491
  C      -1.413201      0.099625      4.787672
  C      -1.593010      2.511287      7.729596
  C      -1.584255      3.815025      6.942860
  N      -2.820371      3.820832      6.198120
  H      -0.833622      0.446939      3.914592
  H      -1.258207     -0.988690      4.865909
  H      -0.234513      1.662100      5.774091
  H      -0.323626      0.156303      6.715874
  H      -1.521005      4.675930      7.626605
  H      -0.709608      3.868557      6.267115
  H      -2.339977      2.584402      8.529835
  H      -0.617064      2.255537      8.170517
  H      -4.826633     -0.116842      8.040796
  H      -4.302294      1.451625      8.684350
  H      -2.737218     -0.563826      6.973528
  H      -2.258957      0.158887      8.524325
  C      -0.173982     -1.409893     -2.201504
  C      -1.546470     -0.825061     -2.020856
  O      -2.153059     -0.355448     -2.975538
  C      -2.217059     -0.794425     -0.654390
  C      -3.481030     -0.210296     -0.624354
  C      -4.231400     -0.110182      0.552200
  O      -5.447034      0.453940      0.498735
  C      -3.669684     -0.595476      1.769471
  C      -4.428076     -0.450905      3.005687
  O      -5.601308     -0.022727      3.008990
  C      -3.766137     -0.692362      4.370104
  C      -2.395211     -1.197049      1.735104
  C      -1.672291     -1.309610      0.555977
  O      -0.441282     -1.911754      0.535496
  C      -9.877710      9.074125      5.388190
  C      -9.647438      7.786173      4.658694
  O     -10.576778      7.282023      3.983965
  C      -8.363588      7.079748      4.767588
  C      -7.334785      7.544343      5.606073
  C      -6.160565      6.829264      5.785204
  O      -5.181453      7.243860      6.641811
  C      -5.972697      5.596843      5.089405
  C      -4.848618      4.728891      5.320269
  O      -4.835225      3.568823      4.750670
  C      -3.656627      5.005239      6.188936
  C      -6.988583      5.148120      4.218976
  C      -8.177903      5.851097      4.058650
  O      -9.136363      5.341360      3.270137
  C     -12.623991      5.574211      6.583578
  C     -11.341197      6.073503      7.200144
  O     -11.298622      7.193440      7.700333
  C     -10.108657      5.203682      7.232209
  C      -9.078176      5.653922      8.062676
  C      -7.877876      4.959756      8.198547
  O      -6.904559      5.484784      8.968969
  C      -7.704399      3.733515      7.488053
  C      -6.419922      3.043639      7.574006
  O      -5.511957      3.470372      8.323343
  C      -6.151149      1.809258      6.711707
  C      -8.741443      3.282896      6.652028
  C      -9.920062      4.003926      6.492620
  O     -10.811669      3.483994      5.597255
  H       0.555720     -0.907335     -1.551644
  H       0.113286     -1.304006     -3.253005
  H      -0.159850     -2.468376     -1.906334
  H      -3.892788      0.170837     -1.559272
  H      -5.814439      0.385832      1.435746
  H      -4.593165     -0.647630      5.097446
  H      -3.282937     -1.680837      4.441428
  H      -1.968038     -1.612425      2.649745
  H      -0.240648     -2.232153      1.433768
  H     -10.010286      8.849088      6.459683
  H      -9.037217      9.772141      5.282186
  H     -10.799433      9.534990      5.018423
  H      -7.474343      8.468089      6.169908
  H      -5.500567      8.023930      7.132104
  H      -3.118890      5.899126      5.812199
  H      -3.976178      5.264367      7.214226
  H      -6.865505      4.201864      3.695467
  H      -9.915919      5.991803      3.371076
  H     -12.577279      5.688468      5.484963
  H     -12.827164      4.521066      6.821060
  H     -13.449674      6.205648      6.929853
  H      -9.224786      6.585590      8.608921
  H      -6.157078      4.806177      8.931201
  H      -6.555884      1.974079      5.704552
  H      -6.729159      0.967026      7.142180
  H      -8.632878      2.371691      6.065617
  H     -11.435741      4.172941      5.307859
  N      -2.275375      2.828602      3.768572
  N      -1.711784      3.281828      2.818075
  H      -0.655659      3.193887      2.811811
95
Coordinates from ORCA-job orca E -6715.124886447859
  N      -2.828251      0.366863      4.660198
  Mo     -3.439291      2.158420      5.340488
  N      -4.730992      1.460638      6.671913
  C      -4.194037      0.806462      7.866814
  C      -2.758914      0.362533      7.616769
  N      -2.015221      1.407807      6.838266
  C      -0.880067      0.806443      6.074237
  C      -1.417222      0.060232      4.826184
  C      -1.557341      2.516277      7.732507
  C      -1.556291      3.812954      6.933519
  N      -2.797337      3.815822      6.197973
  H      -0.833144      0.380206      3.944896
  H      -1.278488     -1.028680      4.924501
  H      -0.219882      1.630378      5.778522
  H      -0.310797      0.139749      6.742816
  H      -1.485478      4.678253      7.611265
  H      -0.686702      3.862045      6.250494
  H      -2.294088      2.600419      8.541283
  H      -0.577004      2.264345      8.165883
  H      -4.797467     -0.083791      8.124818
  H      -4.256082      1.494083      8.728103
  H      -2.731728     -0.559211      7.024864
  H      -2.227045      0.173863      8.563128
  C      -0.244734     -1.399322     -2.202363
  C      -1.578176     -0.733701     -2.010263
  O      -2.146232     -0.191417     -2.950692
  C      -2.250209     -0.715715     -0.646974
  C      -3.478903     -0.060616     -0.590255
  C      -4.221866      0.033811      0.590918
  O      -5.403334      0.669484      0.564984
  C      -3.689646     -0.531303      1.785918
  C      -4.435981     -0.387570      3.028401
  O      -5.580501      0.113061      3.052544
  C      -3.777243     -0.696578      4.379348
  C      -2.450834     -1.202438      1.724468
  C      -1.736414     -1.309261      0.539445
  O      -0.542197     -1.978898      0.490245
  C      -9.833464      9.087461      5.378400
  C      -9.621995      7.783725      4.669745
  O     -10.561030      7.283670      4.004961
  C      -8.344522      7.069211      4.777884
  C      -7.294922      7.548462      5.583083
  C      -6.120939      6.832160      5.755298
  O      -5.115453      7.274380      6.566502
  C      -5.955283      5.577411      5.093839
  C      -4.833109      4.708456      5.327397
  O      -4.830305      3.538057      4.778318
  C      -3.634964      4.998322      6.183059
  C      -6.992312      5.113831      4.256384
  C      -8.178517      5.821146      4.098413
  O      -9.154489      5.298073      3.340470
  C     -12.652967      5.481033      6.519058
  C     -11.369434      6.016667      7.103824
  O     -11.333546      7.158312      7.553375
  C     -10.128959      5.160874      7.162315
  C      -9.101633      5.653623      7.973291
  C      -7.894320      4.978149      8.136389
  O      -6.931587      5.539060      8.894218
  C      -7.704764      3.730502      7.468536
  C      -6.413894      3.055600      7.576979
  O      -5.510074      3.508932      8.315274
  C      -6.134245      1.798798      6.750696
  C      -8.737769      3.238058      6.651013
  C      -9.927433      3.934938      6.470477
  O     -10.819073      3.362513      5.608185
  H       0.509037     -0.969100     -1.527885
  H       0.060185     -1.275059     -3.246611
  H      -0.303039     -2.466598     -1.945321
  H      -3.867977      0.381865     -1.507516
  H      -5.774650      0.585546      1.497775
  H      -4.597507     -0.671440      5.115778
  H      -3.300210     -1.689331      4.410313
  H      -2.047380     -1.675614      2.621459
  H      -0.360392     -2.352245      1.371493
  H      -9.962214      8.885526      6.454844
  H      -8.985540      9.773617      5.255865
  H     -10.751400      9.553325      5.005475
  H      -7.413868      8.491601      6.118763
  H      -5.417829      8.071860      7.039092
  H      -3.104631      5.892530      5.796840
  H      -3.949868      5.264403      7.208731
  H      -6.886625      4.152750      3.756150
  H      -9.928365      5.954495      3.438155
  H     -12.615395      5.548801      5.416052
  H     -12.845230      4.437249      6.802168
  H     -13.481175      6.120350      6.844125
  H      -9.259319      6.602353      8.486166
  H      -6.172644      4.873712      8.877332
  H      -6.535268      1.935900      5.737671
  H      -6.711647      0.964593      7.197613
  H      -8.618809      2.306318      6.099964
  H     -11.460322      4.025928      5.298189
  N      -2.276007      2.771143      3.788978
  N      -1.740381      3.210284      2.817747
  H      -0.687022      3.166479      2.819206
95
Coordinates from ORCA-job orca E -6715.126561625878
  N      -2.827596      0.346362      4.692282
  Mo     -3.439993      2.141512      5.362865
  N      -4.719665      1.452055      6.707763
  C      -4.174708      0.816586      7.906703
  C      -2.743970      0.365345      7.648293
  N      -2.004319      1.401971      6.855543
  C      -0.873947      0.788616      6.095518
  C      -1.421121      0.023119      4.862979
  C      -1.540531      2.519078      7.736696
  C      -1.550414      3.810596      6.927575
  N      -2.794846      3.806226      6.196216
  H      -0.831418      0.315297      3.974958
  H      -1.296202     -1.065186      4.984509
  H      -0.212976      1.605937      5.783330
  H      -0.302056      0.129581      6.769325
  H      -1.478141      4.679455      7.600866
  H      -0.684002      3.859351      6.240215
  H      -2.269901      2.611060      8.551425
  H      -0.555870      2.275614      8.164880
  H      -4.776069     -0.067850      8.188554
  H      -4.224994      1.517776      8.758609
  H      -2.731034     -0.560121      7.061480
  H      -2.206502      0.178291      8.591849
  C      -0.282125     -1.386383     -2.209364
  C      -1.581378     -0.658407     -2.003067
  O      -2.114828     -0.057647     -2.928989
  C      -2.254941     -0.652201     -0.644373
  C      -3.453108      0.057502     -0.565677
  C      -4.194257      0.146983      0.616056
  O      -5.345088      0.838516      0.607592
  C      -3.693631     -0.480061      1.794224
  C      -4.430843     -0.336282      3.042079
  O      -5.548545      0.221401      3.086025
  C      -3.781817     -0.704099      4.381153
  C      -2.485508     -1.203966      1.710612
  C      -1.773224     -1.306656      0.522918
  O      -0.612228     -2.029471      0.455953
  C      -9.822230      9.090332      5.333329
  C      -9.616832      7.772380      4.647125
  O     -10.565658      7.257292      4.008754
  C      -8.341180      7.058420      4.760089
  C      -7.278444      7.549036      5.542489
  C      -6.106366      6.830026      5.718174
  O      -5.087749      7.289539      6.503003
  C      -5.954356      5.557360      5.088076
  C      -4.835142      4.687174      5.328415
  O      -4.838093      3.508843      4.798241
  C      -3.633381      4.989386      6.175648
  C      -7.004709      5.082218      4.273864
  C      -8.185850      5.794544      4.108382
  O      -9.170227      5.262079      3.367319
  C     -12.655634      5.453559      6.500126
  C     -11.367015      5.997853      7.068174
  O     -11.327157      7.150302      7.490391
  C     -10.131145      5.140071      7.142507
  C      -9.100937      5.649699      7.941098
  C      -7.894708      4.978018      8.120069
  O      -6.934212      5.553983      8.869851
  C      -7.701651      3.718424      7.476320
  C      -6.408392      3.049890      7.594871
  O      -5.503187      3.518951      8.321050
  C      -6.125280      1.781105      6.786421
  C      -8.735802      3.208786      6.670833
  C      -9.928640      3.897592      6.479493
  O     -10.820391      3.301710      5.634135
  H       0.488059     -1.015707     -1.517848
  H       0.036950     -1.247554     -3.247529
  H      -0.399477     -2.456527     -1.985462
  H      -3.819584      0.548039     -1.467813
  H      -5.726255      0.742713      1.533964
  H      -4.599466     -0.704562      5.121300
  H      -3.305443     -1.697195      4.373525
  H      -2.104542     -1.720499      2.593521
  H      -0.452360     -2.444701      1.322299
  H      -9.936884      8.911451      6.415210
  H      -8.977307      9.775485      5.185463
  H     -10.745331      9.547424      4.962060
  H      -7.385968      8.505595      6.056650
  H      -5.378662      8.101471      6.957538
  H      -3.109122      5.883606      5.782259
  H      -3.947695      5.260349      7.200959
  H      -6.911258      4.108791      3.794894
  H      -9.933931      5.930557      3.441729
  H     -12.619721      5.494695      5.395474
  H     -12.852830      4.418441      6.811334
  H     -13.479484      6.105137      6.811890
  H      -9.257327      6.609893      8.432886
  H      -6.173031      4.893649      8.865257
  H      -6.527682      1.904588      5.771856
  H      -6.701057      0.952772      7.244972
  H      -8.615655      2.266428      6.137978
  H     -11.468283      3.952871      5.312778
  N      -2.297147      2.714397      3.789322
  N      -1.795762      3.140803      2.792810
  H      -0.743211      3.147433      2.796059
95
Coordinates from ORCA-job orca E -6715.128152213731
  N      -2.828733      0.318459      4.732476
  Mo     -3.442873      2.121017      5.387305
  N      -4.705045      1.440708      6.751559
  C      -4.149303      0.824587      7.954700
  C      -2.723922      0.365610      7.684696
  N      -1.990466      1.393191      6.874086
  C      -0.866513      0.766189      6.115260
  C      -1.427711     -0.023352      4.903712
  C      -1.518154      2.520657      7.739351
  C      -1.540678      3.805349      6.918146
  N      -2.791007      3.792686      6.194125
  H      -0.834657      0.235380      4.006628
  H      -1.319028     -1.110219      5.053118
  H      -0.207015      1.576241      5.781297
  H      -0.289217      0.117174      6.794037
  H      -1.465571      4.679126      7.585117
  H      -0.679256      3.851836      6.224236
  H      -2.237786      2.621207      8.561821
  H      -0.527797      2.286107      8.159216
  H      -4.747950     -0.052720      8.263099
  H      -4.185618      1.540660      8.795435
  H      -2.727362     -0.563775      7.103450
  H      -2.177577      0.180916      8.623628
  C      -0.329922     -1.354528     -2.234029
  C      -1.591673     -0.570582     -1.993158
  O      -2.096009      0.091226     -2.894199
  C      -2.260825     -0.582110     -0.634701
  C      -3.425129      0.180592     -0.527925
  C      -4.161746      0.264844      0.656127
  O      -5.277301      1.013083      0.671658
  C      -3.694286     -0.424697      1.813264
  C      -4.422941     -0.283321      3.066802
  O      -5.509259      0.332079      3.131302
  C      -3.790521     -0.715155      4.392717
  C      -2.520055     -1.199396      1.702722
  C      -1.811644     -1.297298      0.510919
  O      -0.686592     -2.072013      0.424055
  C      -9.805386      9.101691      5.284019
  C      -9.613722      7.765070      4.629111
  O     -10.566751      7.248232      3.999482
  C      -8.341808      7.045076      4.751065
  C      -7.265960      7.547002      5.508832
  C      -6.094732      6.825785      5.687455
  O      -5.062397      7.300814      6.444777
  C      -5.955681      5.536956      5.087899
  C      -4.837784      4.666275      5.332892
  O      -4.848547      3.479979      4.823330
  C      -3.629129      4.978996      6.168138
  C      -7.019941      5.048311      4.300120
  C      -8.198105      5.763872      4.129373
  O      -9.191924      5.216875      3.411586
  C     -12.647704      5.420344      6.446403
  C     -11.360720      5.978300      7.007305
  O     -11.321173      7.142832      7.396577
  C     -10.129489      5.119903      7.110404
  C      -9.097570      5.650626      7.894519
  C      -7.894026      4.982044      8.096780
  O      -6.936626      5.576162      8.837382
  C      -7.698343      3.706046      7.486212
  C      -6.402163      3.045439      7.619305
  O      -5.496199      3.537422      8.328784
  C      -6.114434      1.760923      6.835214
  C      -8.733071      3.174522      6.695831
  C      -9.928055      3.855859      6.487538
  O     -10.822852      3.230633      5.667230
  H       0.460305     -1.048019     -1.533510
  H      -0.007209     -1.193610     -3.268239
  H      -0.501554     -2.425241     -2.050180
  H      -3.768009      0.720049     -1.411807
  H      -5.662164      0.909683      1.594845
  H      -4.607634     -0.740134      5.133507
  H      -3.317116     -1.708408      4.347451
  H      -2.160944     -1.758465      2.569387
  H      -0.551102     -2.527353      1.274554
  H      -9.918139      8.951316      6.370434
  H      -8.954517      9.775622      5.115727
  H     -10.725245      9.557961      4.903077
  H      -7.362146      8.517425      5.999890
  H      -5.341205      8.127274      6.880554
  H      -3.109890      5.870870      5.764357
  H      -3.939868      5.257234      7.193159
  H      -6.938627      4.062075      3.844785
  H      -9.951356      5.890063      3.473820
  H     -12.602464      5.430102      5.341051
  H     -12.850174      4.395265      6.788149
  H     -13.471933      6.082640      6.734389
  H      -9.251941      6.625935      8.357031
  H      -6.175522      4.917538      8.853195
  H      -6.523209      1.865118      5.820729
  H      -6.684160      0.939528      7.312281
  H      -8.612926      2.217347      6.188904
  H     -11.480617      3.866536      5.334778
  N      -2.332909      2.642221      3.781001
  N      -1.880211      3.050022      2.752202
  H      -0.827712      3.111971      2.736021
95
Coordinates from ORCA-job orca E -6715.129720378508
  N      -2.835820      0.284543      4.767174
  Mo     -3.457304      2.098112      5.396876
  N      -4.699970      1.425879      6.781608
  C      -4.134930      0.826828      7.989132
  C      -2.713657      0.363146      7.709907
  N      -1.988055      1.383544      6.882866
  C      -0.868350      0.745615      6.126770
  C      -1.440771     -0.072076      4.939849
  C      -1.510387      2.521634      7.732408
  C      -1.543739      3.798187      6.898551
  N      -2.798705      3.775573      6.180148
  H      -0.845437      0.152036      4.034196
  H      -1.346141     -1.155860      5.120430
  H      -0.214354      1.549899      5.768995
  H      -0.283653      0.110182      6.811767
  H      -1.468318      4.677877      7.557785
  H      -0.686332      3.841300      6.199689
  H      -2.222209      2.629175      8.560662
  H      -0.515002      2.296132      8.145016
  H      -4.731209     -0.043310      8.320804
  H      -4.159698      1.557108      8.818182
  H      -2.729428     -0.569458      7.133994
  H      -2.158345      0.182592      8.644239
  C      -0.339178     -1.325801     -2.239966
  C      -1.563115     -0.489905     -1.974153
  O      -2.029262      0.228337     -2.852711
  C      -2.239624     -0.518513     -0.621123
  C      -3.369627      0.292209     -0.492143
  C      -4.108361      0.370848      0.690230
  O      -5.187298      1.171041      0.725975
  C      -3.681499     -0.378132      1.826505
  C      -4.409318     -0.240517      3.081257
  O      -5.460994      0.431994      3.160512
  C      -3.803555     -0.731679      4.397260
  C      -2.542006     -1.199202      1.694203
  C      -1.830587     -1.290524      0.502872
  O      -0.740253     -2.110819      0.398507
  C      -9.799952      9.106513      5.229088
  C      -9.617352      7.758788      4.594447
  O     -10.575855      7.232139      3.983585
  C      -8.346963      7.034654      4.723043
  C      -7.262524      7.545171      5.461740
  C      -6.092879      6.821268      5.645515
  O      -5.051659      7.304873      6.384559
  C      -5.964959      5.520249      5.071425
  C      -4.848906      4.647890      5.322510
  O      -4.869009      3.455110      4.833658
  C      -3.633420      4.966705      6.146637
  C      -7.038834      5.020589      4.304050
  C      -8.213769      5.740056      4.126154
  O      -9.213708      5.183236      3.423923
  C     -12.639262      5.410501      6.446179
  C     -11.349955      5.972984      6.998919
  O     -11.305711      7.144598      7.366086
  C     -10.124253      5.110867      7.118360
  C      -9.087216      5.651321      7.889674
  C      -7.886034      4.982360      8.101477
  O      -6.926078      5.588059      8.830279
  C      -7.693901      3.695817      7.510512
  C      -6.396245      3.037276      7.646535
  O      -5.489572      3.535939      8.349752
  C      -6.111699      1.743019      6.876373
  C      -8.732814      3.154326      6.733075
  C      -9.928279      3.834252      6.518701
  O     -10.826160      3.195941      5.712547
  H       0.461783     -1.082839     -1.526797
  H      -0.003914     -1.144049     -3.266860
  H      -0.564874     -2.392845     -2.096311
  H      -3.682482      0.877403     -1.358129
  H      -5.578855      1.059076      1.645178
  H      -4.626068     -0.777371      5.131358
  H      -3.334326     -1.724886      4.322144
  H      -2.209882     -1.798830      2.544813
  H      -0.633085     -2.602713      1.232789
  H      -9.901754      8.974504      6.319001
  H      -8.949252      9.775526      5.039636
  H     -10.722409      9.557953      4.848373
  H      -7.351025      8.525610      5.934706
  H      -5.320279      8.143471      6.803529
  H      -3.114882      5.852797      5.730987
  H      -3.940383      5.254882      7.170103
  H      -6.966874      4.024365      3.869133
  H      -9.966799      5.864226      3.468024
  H     -12.589170      5.396680      5.341123
  H     -12.850046      4.395202      6.812306
  H     -13.460295      6.083564      6.718200
  H      -9.235585      6.636491      8.333141
  H      -6.162930      4.931996      8.850118
  H      -6.530520      1.836371      5.864903
  H      -6.674646      0.926923      7.369573
  H      -8.616856      2.188900      6.240407
  H     -11.489770      3.824750      5.377387
  N      -2.389789      2.563233      3.751406
  N      -1.993133      2.945154      2.688389
  H      -0.944075      3.060275      2.635453
95
Coordinates from ORCA-job orca E -6715.131293838487
  N      -2.833323      0.253759      4.805113
  Mo     -3.472163      2.079290      5.407098
  N      -4.692641      1.406347      6.811785
  C      -4.115509      0.823193      8.022688
  C      -2.695646      0.362023      7.733939
  N      -1.982719      1.380714      6.893351
  C      -0.864263      0.740941      6.137051
  C      -1.442870     -0.107712      4.977244
  C      -1.505413      2.528648      7.729835
  C      -1.551534      3.797726      6.886974
  N      -2.810003      3.762043      6.173561
  H      -0.848327      0.085413      4.063249
  H      -1.355252     -1.186860      5.189099
  H      -0.224013      1.544879      5.754915
  H      -0.266167      0.123826      6.827029
  H      -1.480537      4.682575      7.539717
  H      -0.697473      3.841409      6.184516
  H      -2.211080      2.636351      8.563080
  H      -0.504797      2.312930      8.134933
  H      -4.707128     -0.042519      8.372863
  H      -4.132999      1.565840      8.840585
  H      -2.716124     -0.572204      7.161168
  H      -2.129105      0.187780      8.662546
  C      -0.365222     -1.309723     -2.253565
  C      -1.546228     -0.423132     -1.958350
  O      -1.973574      0.347901     -2.811457
  C      -2.227448     -0.463563     -0.607436
  C      -3.318718      0.394289     -0.453465
  C      -4.055081      0.471509      0.730298
  O      -5.092462      1.323199      0.790194
  C      -3.666523     -0.333411      1.843260
  C      -4.385954     -0.198147      3.103571
  O      -5.402756      0.525659      3.205584
  C      -3.803026     -0.747792      4.405172
  C      -2.566465     -1.201106      1.685094
  C      -1.857283     -1.288312      0.492279
  O      -0.804531     -2.153130      0.363140
  C      -9.789448      9.121369      5.175299
  C      -9.615603      7.766051      4.556263
  O     -10.571352      7.238282      3.944763
  C      -8.349024      7.032650      4.698199
  C      -7.261714      7.547375      5.427082
  C      -6.095663      6.818717      5.619304
  O      -5.048911      7.304134      6.348410
  C      -5.978714      5.509611      5.063732
  C      -4.864276      4.634486      5.321424
  O      -4.893501      3.437882      4.849479
  C      -3.642692      4.955465      6.135130
  C      -7.057245      5.002630      4.308377
  C      -8.227953      5.728038      4.121328
  O      -9.234007      5.165842      3.431895
  C     -12.623717      5.399805      6.425121
  C     -11.333947      5.963052      6.976320
  O     -11.284539      7.139421      7.325966
  C     -10.113886      5.095625      7.116646
  C      -9.075429      5.642715      7.880894
  C      -7.878859      4.970063      8.106704
  O      -6.919208      5.579906      8.833086
  C      -7.691310      3.674805      7.533546
  C      -6.392364      3.018519      7.675619
  O      -5.482497      3.536182      8.359916
  C      -6.106781      1.716873      6.919252
  C      -8.731604      3.125602      6.764489
  C      -9.924639      3.807552      6.539302
  O     -10.823564      3.159405      5.742679
  H       0.446613     -1.130823     -1.533974
  H      -0.021291     -1.109920     -3.274246
  H      -0.643992     -2.368487     -2.146497
  H      -3.601449      1.021167     -1.300421
  H      -5.485203      1.205823      1.709529
  H      -4.630752     -0.815245      5.131879
  H      -3.336040     -1.739192      4.301449
  H      -2.261141     -1.840409      2.516974
  H      -0.723898     -2.677129      1.180893
  H      -9.892747      9.000768      6.266310
  H      -8.933565      9.781700      4.978713
  H     -10.708048      9.574601      4.787487
  H      -7.343906      8.535498      5.885031
  H      -5.308019      8.153165      6.752447
  H      -3.123677      5.835688      5.708607
  H      -3.945197      5.252788      7.157149
  H      -6.992708      3.998833      3.890465
  H      -9.982009      5.853137      3.467200
  H     -12.565674      5.365292      5.321176
  H     -12.845511      4.394207      6.811169
  H     -13.441846      6.083175      6.679623
  H      -9.218928      6.636005      8.307539
  H      -6.161381      4.917129      8.867156
  H      -6.538625      1.795910      5.912145
  H      -6.656256      0.902848      7.430684
  H      -8.619725      2.152825      6.285572
  H     -11.490513      3.783414      5.404738
  N      -2.461917      2.494904      3.719387
  N      -2.129811      2.843384      2.622059
  H      -1.091612      3.014567      2.514034
95
Coordinates from ORCA-job orca E -6715.132805034284
  N      -2.797666      0.248382      4.847489
  Mo     -3.468523      2.082330      5.425471
  N      -4.682543      1.390234      6.829004
  C      -4.103685      0.813886      8.044055
  C      -2.677845      0.366871      7.759472
  N      -1.973086      1.395691      6.923983
  C      -0.844067      0.771036      6.171755
  C      -1.409764     -0.103712      5.028258
  C      -1.512207      2.546809      7.763597
  C      -1.563404      3.814470      6.922552
  N      -2.815632      3.766914      6.199062
  H      -0.810451      0.070636      4.113043
  H      -1.320183     -1.178005      5.265072
  H      -0.223052      1.583989      5.777650
  H      -0.232554      0.173589      6.867298
  H      -1.508683      4.699731      7.576126
  H      -0.703925      3.867397      6.227754
  H      -2.223075      2.643186      8.593536
  H      -0.511109      2.338896      8.171983
  H      -4.691152     -0.054511      8.393787
  H      -4.129247      1.560634      8.857603
  H      -2.686561     -0.564072      7.181824
  H      -2.109488      0.196047      8.687488
  C      -0.453726     -1.341800     -2.315297
  C      -1.591794     -0.414851     -1.981605
  O      -2.002047      0.389258     -2.811662
  C      -2.253518     -0.452115     -0.618580
  C      -3.308363      0.443069     -0.434095
  C      -4.020809      0.530127      0.763796
  O      -5.022309      1.420061      0.856477
  C      -3.643054     -0.307399      1.856561
  C      -4.334716     -0.162447      3.130504
  O      -5.318839      0.604497      3.259247
  C      -3.758908     -0.749091      4.417663
  C      -2.580805     -1.213854      1.666831
  C      -1.895958     -1.307853      0.461380
  O      -0.877569     -2.208073      0.298374
  C      -9.774730      9.139236      5.156150
  C      -9.603344      7.786206      4.535004
  O     -10.553789      7.262476      3.914153
  C      -8.338369      7.045013      4.687329
  C      -7.256676      7.561349      5.420358
  C      -6.093029      6.830783      5.622432
  O      -5.048185      7.314791      6.354067
  C      -5.979671      5.520165      5.072296
  C      -4.866135      4.642196      5.338642
  O      -4.899270      3.446752      4.872469
  C      -3.647480      4.959107      6.155121
  C      -7.053275      5.009569      4.313993
  C      -8.221261      5.738248      4.115642
  O      -9.224175      5.176490      3.421915
  C     -12.609518      5.374407      6.362280
  C     -11.329092      5.934863      6.936080
  O     -11.281567      7.111085      7.284691
  C     -10.110977      5.065631      7.096281
  C      -9.081774      5.613534      7.870545
  C      -7.886730      4.941109      8.107801
  O      -6.932647      5.553886      8.838358
  C      -7.694606      3.645844      7.536504
  C      -6.394577      2.991407      7.688384
  O      -5.497492      3.505974      8.391119
  C      -6.098661      1.692545      6.934388
  C      -8.727031      3.095133      6.758887
  C      -9.918092      3.777203      6.522314
  O     -10.809320      3.127602      5.718339
  H       0.378738     -1.208292     -1.610030
  H      -0.123334     -1.136224     -3.339209
  H      -0.770874     -2.390600     -2.221205
  H      -3.580513      1.093444     -1.266403
  H      -5.395620      1.305959      1.785842
  H      -4.590126     -0.838902      5.138232
  H      -3.286651     -1.735229      4.294285
  H      -2.284751     -1.877759      2.482418
  H      -0.804101     -2.748081      1.106418
  H      -9.882789      9.012654      6.245827
  H      -8.915217      9.796104      4.965830
  H     -10.689736      9.597074      4.765653
  H      -7.339553      8.551535      5.872927
  H      -5.304074      8.169214      6.748793
  H      -3.123950      5.836458      5.727784
  H      -3.954458      5.260295      7.174433
  H      -6.987627      4.003646      3.902349
  H      -9.967441      5.870971      3.445946
  H     -12.531155      5.334834      5.260120
  H     -12.842719      4.371996      6.749228
  H     -13.430390      6.060860      6.598527
  H      -9.228870      6.608096      8.292439
  H      -6.170069      4.894006      8.867334
  H      -6.530270      1.767419      5.927029
  H      -6.640213      0.873534      7.447178
  H      -8.611406      2.122031      6.282294
  H     -11.480053      3.749070      5.383425
  N      -2.509873      2.477751      3.710071
  N      -2.227709      2.791598      2.587952
  H      -1.209040      3.022289      2.432676
95
Coordinates from ORCA-job orca E -6715.134251074493
  N      -2.726778      0.286069      4.884328
  Mo     -3.442800      2.115914      5.460378
  N      -4.663862      1.374699      6.835820
  C      -4.089766      0.789959      8.050027
  C      -2.651084      0.373634      7.778859
  N      -1.953637      1.430949      6.973866
  C      -0.802780      0.846511      6.224544
  C      -1.336983     -0.040266      5.078148
  C      -1.526308      2.572671      7.840710
  C      -1.581114      3.851473      7.021187
  N      -2.818070      3.796230      6.274000
  H      -0.729033      0.137719      4.169128
  H      -1.232750     -1.111740      5.323671
  H      -0.207674      1.681677      5.837201
  H      -0.175917      0.265539      6.920692
  H      -1.554704      4.727063      7.689246
  H      -0.709253      3.930198      6.344433
  H      -2.251610      2.640535      8.660889
  H      -0.528498      2.370643      8.260656
  H      -4.668930     -0.092892      8.376444
  H      -4.139225      1.525598      8.872115
  H      -2.631476     -0.545167      7.183311
  H      -2.090518      0.197364      8.710584
  C      -0.614266     -1.439176     -2.415124
  C      -1.730388     -0.497234     -2.056492
  O      -2.166055      0.295217     -2.884176
  C      -2.340578     -0.503730     -0.666763
  C      -3.382795      0.399576     -0.460007
  C      -4.045439      0.514033      0.764524
  O      -5.041775      1.405757      0.879669
  C      -3.623943     -0.303962      1.856382
  C      -4.262060     -0.132962      3.152896
  O      -5.228276      0.654698      3.311375
  C      -3.664462     -0.723030      4.426543
  C      -2.576278     -1.222034      1.642337
  C      -1.942403     -1.340834      0.412819
  O      -0.933825     -2.247195      0.221293
  C      -9.751427      9.181807      5.164813
  C      -9.569791      7.838876      4.527449
  O     -10.503349      7.328491      3.872134
  C      -8.311596      7.087216      4.704015
  C      -7.246998      7.595031      5.465393
  C      -6.089405      6.859495      5.683990
  O      -5.057175      7.333962      6.438313
  C      -5.971831      5.554920      5.122420
  C      -4.859912      4.672724      5.397333
  O      -4.887395      3.484892      4.919092
  C      -3.654457      4.981092      6.230988
  C      -7.029556      5.051689      4.339346
  C      -8.191322      5.786469      4.122842
  O      -9.182640      5.237065      3.403617
  C     -12.586128      5.332429      6.232368
  C     -11.322036      5.885719      6.845626
  O     -11.282383      7.058021      7.206567
  C     -10.107104      5.014135      7.033576
  C      -9.100763      5.557691      7.838452
  C      -7.910184      4.884945      8.100333
  O      -6.979334      5.489266      8.865581
  C      -7.701362      3.597294      7.519193
  C      -6.401477      2.945602      7.690434
  O      -5.518701      3.462022      8.409685
  C      -6.082332      1.660291      6.926735
  C      -8.712925      3.050208      6.712539
  C      -9.899679      3.731325      6.454136
  O     -10.769919      3.086444      5.623940
  H       0.246771     -1.298214     -1.746870
  H      -0.324799     -1.256068     -3.455313
  H      -0.932386     -2.483633     -2.286250
  H      -3.685662      1.033410     -1.293957
  H      -5.373806      1.311890      1.828063
  H      -4.492229     -0.843601      5.147538
  H      -3.171192     -1.696279      4.289319
  H      -2.249703     -1.871880      2.456961
  H      -0.828233     -2.771575      1.035892
  H      -9.884759      9.035685      6.248993
  H      -8.885764      9.838099      5.006397
  H     -10.655690      9.649303      4.761668
  H      -7.335769      8.581523      5.923496
  H      -5.316036      8.188245      6.831150
  H      -3.127733      5.864307      5.818413
  H      -3.976048      5.273952      7.248458
  H      -6.956401      4.049717      3.920354
  H      -9.921348      5.937859      3.418550
  H     -12.477007      5.294736      5.132932
  H     -12.834655      4.330274      6.609339
  H     -13.411443      6.020837      6.445592
  H      -9.261810      6.547312      8.265980
  H      -6.218303      4.826256      8.909943
  H      -6.503312      1.739037      5.915312
  H      -6.618141      0.827879      7.424998
  H      -8.583353      2.081966      6.230716
  H     -11.440872      3.707015      5.288648
  N      -2.521315      2.540711      3.740599
  N      -2.265388      2.834655      2.606769
  H      -1.272753      3.132271      2.431047
95
Coordinates from ORCA-job orca E -6715.135586132606
  N      -2.663986      0.309375      4.927614
  Mo     -3.417166      2.131586      5.507204
  N      -4.647557      1.350606      6.857043
  C      -4.075005      0.762869      8.068878
  C      -2.626893      0.373084      7.810096
  N      -1.934977      1.452562      7.030486
  C      -0.766137      0.903388      6.284365
  C      -1.271759      0.005432      5.135354
  C      -1.536977      2.587027      7.919612
  C      -1.598202      3.874801      7.116528
  N      -2.821106      3.813215      6.347734
  H      -0.653891      0.186637      4.233389
  H      -1.154187     -1.063512      5.387969
  H      -0.196274      1.758114      5.901367
  H      -0.122477      0.340897      6.980923
  H      -1.595838      4.741929      7.796404
  H      -0.715661      3.976911      6.456154
  H      -2.273036      2.633924      8.732088
  H      -0.542293      2.391453      8.350769
  H      -4.642967     -0.133565      8.378479
  H      -4.145103      1.488393      8.898679
  H      -2.583481     -0.536642      7.202549
  H      -2.075524      0.192938      8.746816
  C      -0.791698     -1.496230     -2.510688
  C      -1.873458     -0.529634     -2.117557
  O      -2.326210      0.265190     -2.933777
  C      -2.428372     -0.514807     -0.704142
  C      -3.446614      0.407035     -0.464853
  C      -4.056294      0.542646      0.785329
  O      -5.030404      1.452754      0.934512
  C      -3.604411     -0.275425      1.865167
  C      -4.190666     -0.093777      3.181842
  O      -5.127783      0.722209      3.381621
  C      -3.575751     -0.705219      4.433393
  C      -2.578971     -1.212313      1.618181
  C      -1.997626     -1.348749      0.365298
  O      -1.009770     -2.270048      0.139256
  C      -9.726823      9.208073      5.134924
  C      -9.541613      7.861910      4.504971
  O     -10.465545      7.359591      3.830009
  C      -8.291712      7.102221      4.706082
  C      -7.235262      7.610213      5.479122
  C      -6.083341      6.870742      5.715245
  O      -5.056942      7.348466      6.475025
  C      -5.966035      5.562916      5.161463
  C      -4.855753      4.678648      5.448378
  O      -4.878922      3.492501      4.969852
  C      -3.661766      4.990645      6.292264
  C      -7.015960      5.059641      4.369773
  C      -8.171570      5.798380      4.133840
  O      -9.156093      5.252351      3.403467
  C     -12.558873      5.300453      6.117703
  C     -11.303686      5.848650      6.752429
  O     -11.263978      7.022569      7.108236
  C     -10.095582      4.971656      6.966886
  C      -9.103579      5.517483      7.787648
  C      -7.918058      4.844265      8.072747
  O      -6.999745      5.447763      8.852501
  C      -7.700469      3.556718      7.497387
  C      -6.404033      2.904618      7.691739
  O      -5.537353      3.418086      8.432726
  C      -6.066402      1.623178      6.930614
  C      -8.698267      3.006890      6.675142
  C      -9.881003      3.686253      6.396518
  O     -10.739936      3.037231      5.558058
  H       0.098627     -1.365253     -1.879637
  H      -0.542074     -1.329558     -3.563862
  H      -1.122063     -2.533309     -2.355722
  H      -3.771539      1.039435     -1.291480
  H      -5.315281      1.382706      1.900255
  H      -4.399111     -0.866033      5.153545
  H      -3.059263     -1.661193      4.268687
  H      -2.229097     -1.859224      2.424992
  H      -0.876096     -2.787951      0.953761
  H      -9.875455      9.066310      6.217523
  H      -8.856428      9.860606      4.988433
  H     -10.623343      9.678960      4.718853
  H      -7.323420      8.600524      5.928536
  H      -5.314949      8.208706      6.854941
  H      -3.136703      5.878128      5.884951
  H      -3.997481      5.287071      7.305203
  H      -6.940315      4.055465      3.956267
  H      -9.887854      5.960991      3.399210
  H     -12.428461      5.248377      5.020746
  H     -12.824491      4.304239      6.499124
  H     -13.382409      5.998563      6.304487
  H      -9.271439      6.508555      8.208883
  H      -6.237759      4.786642      8.905513
  H      -6.474299      1.698516      5.913429
  H      -6.604011      0.785082      7.418220
  H      -8.560514      2.036221      6.200678
  H     -11.414267      3.652915      5.221186
  N      -2.528613      2.581901      3.794515
  N      -2.307337      2.858652      2.648007
  H      -1.343356      3.215106      2.453087
95
Coordinates from ORCA-job orca E -6715.136917159033
  N      -2.581061      0.354244      4.971014
  Mo     -3.376421      2.158766      5.561832
  N      -4.622599      1.326814      6.870688
  C      -4.057699      0.728139      8.078856
  C      -2.597401      0.372681      7.841528
  N      -1.910498      1.481151      7.098864
  C      -0.718010      0.975926      6.360455
  C      -1.185671      0.075620      5.197702
  C      -1.550654      2.602248      8.021049
  C      -1.619666      3.905106      7.243423
  N      -2.823914      3.838133      6.445865
  H      -0.554619      0.271249      4.307959
  H      -1.050724     -0.991981      5.449031
  H      -0.173174      1.852787      5.990681
  H      -0.060353      0.428839      7.056558
  H      -1.647847      4.757881      7.941171
  H      -0.724350      4.038895      6.605530
  H      -2.301770      2.622570      8.821179
  H      -0.561769      2.414167      8.468856
  H      -4.610005     -0.187304      8.361708
  H      -4.157211      1.434512      8.922594
  H      -2.523360     -0.524981      7.219444
  H      -2.064027      0.184690      8.787301
  C      -1.025527     -1.575591     -2.626926
  C      -2.075039     -0.590876     -2.193352
  O      -2.565952      0.193233     -2.998306
  C      -2.549647     -0.546102     -0.752313
  C      -3.548676      0.386756     -0.475072
  C      -4.086558      0.550016      0.804415
  O      -5.047037      1.467378      0.991183
  C      -3.581820     -0.250936      1.873352
  C      -4.099642     -0.048150      3.212251
  O      -5.006409      0.793541      3.451896
  C      -3.460511     -0.670061      4.443863
  C      -2.575385     -1.200221      1.588234
  C      -2.063491     -1.361848      0.308079
  O      -1.092131     -2.291104      0.047448
  C      -9.707638      9.231202      5.098512
  C      -9.506728      7.887582      4.465652
  O     -10.412759      7.396184      3.758841
  C      -8.267317      7.122180      4.700172
  C      -7.230207      7.624024      5.504076
  C      -6.085354      6.881298      5.766081
  O      -5.078733      7.357185      6.552835
  C      -5.954975      5.575832      5.209615
  C      -4.846885      4.690824      5.511458
  O      -4.857012      3.508564      5.026287
  C      -3.671016      5.007384      6.375658
  C      -6.985812      5.078604      4.390847
  C      -8.133138      5.820378      4.126222
  O      -9.096340      5.280805      3.363696
  C     -12.514272      5.267851      5.973599
  C     -11.277350      5.806551      6.650998
  O     -11.245297      6.978239      7.016257
  C     -10.078659      4.924589      6.892338
  C      -9.110895      5.462111      7.747668
  C      -7.933772      4.786352      8.060455
  O      -7.041726      5.379394      8.877366
  C      -7.696972      3.506835      7.474928
  C      -6.405167      2.853678      7.693892
  O      -5.557467      3.357347      8.463534
  C      -6.043386      1.583573      6.923614
  C      -8.671349      2.964653      6.619356
  C      -9.847886      3.644168      6.316931
  O     -10.684711      3.002194      5.451584
  H      -0.099325     -1.438570     -2.050823
  H      -0.835155     -1.434923     -3.696245
  H      -1.353542     -2.606220     -2.428645
  H      -3.915480      1.005353     -1.294732
  H      -5.274442      1.423423      1.972337
  H      -4.276780     -0.873369      5.163188
  H      -2.916418     -1.605419      4.253955
  H      -2.185214     -1.831956      2.388034
  H      -0.911594     -2.790660      0.864322
  H      -9.881287      9.085928      6.176989
  H      -8.834192      9.885318      4.977320
  H     -10.593942      9.705029      4.664198
  H      -7.327051      8.613145      5.954725
  H      -5.344239      8.218196      6.925682
  H      -3.149327      5.902785      5.980110
  H      -4.029208      5.303830      7.381868
  H      -6.899264      4.076741      3.973170
  H      -9.822606      5.993814      3.331827
  H     -12.349893      5.216436      4.880743
  H     -12.798289      4.271737      6.343146
  H     -13.339243      5.970779      6.134416
  H      -9.292081      6.448024      8.175432
  H      -6.281981      4.718401      8.949511
  H      -6.434063      1.665872      5.900056
  H      -6.585225      0.736089      7.390191
  H      -8.518059      1.998523      6.139833
  H     -11.359887      3.616406      5.113492
  N      -2.511442      2.657693      3.868467
  N      -2.326642      2.932144      2.712406
  H      -1.386310      3.337999      2.505673
95
Coordinates from ORCA-job orca E -6715.138306679252
  N      -2.481383      0.402670      5.030727
  Mo     -3.316864      2.184485      5.632215
  N      -4.580106      1.303448      6.897010
  C      -4.026221      0.697560      8.104969
  C      -2.554597      0.374814      7.893470
  N      -1.871957      1.509047      7.185461
  C      -0.656005      1.043145      6.459608
  C      -1.084799      0.144118      5.280601
  C      -1.552469      2.617521      8.138572
  C      -1.629866      3.934884      7.385816
  N      -2.813935      3.861758      6.558459
  H      -0.438444      0.356143      4.405966
  H      -0.935999     -0.922806      5.527878
  H      -0.131460      1.938478      6.104316
  H       0.010266      0.508790      7.157457
  H      -1.689695      4.772378      8.100442
  H      -0.722629      4.100136      6.772193
  H      -2.320408      2.611373      8.922929
  H      -0.571061      2.438253      8.605864
  H      -4.561014     -0.235763      8.364243
  H      -4.156445      1.385762      8.959989
  H      -2.450167     -0.512479      7.261026
  H      -2.042182      0.180718      8.849649
  C      -1.362561     -1.633936     -2.746824
  C      -2.341653     -0.606011     -2.251104
  O      -2.854185      0.193642     -3.027376
  C      -2.716406     -0.537464     -0.783254
  C      -3.661510      0.432614     -0.447216
  C      -4.107141      0.621939      0.863245
  O      -5.017266      1.576816      1.106016
  C      -3.565723     -0.192500      1.904578
  C      -3.996587      0.026422      3.269061
  O      -4.854858      0.903864      3.562031
  C      -3.333417     -0.624889      4.471162
  C      -2.612677     -1.178820      1.560171
  C      -2.189971     -1.363629      0.250397
  O      -1.269171     -2.326506     -0.063066
  C      -9.688595      9.231579      5.036282
  C      -9.460800      7.889432      4.407115
  O     -10.340426      7.398812      3.667171
  C      -8.230581      7.126536      4.682588
  C      -7.217033      7.627328      5.517415
  C      -6.078502      6.885500      5.810964
  O      -5.096001      7.364975      6.625779
  C      -5.928509      5.580701      5.257275
  C      -4.822967      4.698353      5.579789
  O      -4.815645      3.518836      5.090229
  C      -3.668160      5.023109      6.468288
  C      -6.936650      5.084506      4.410436
  C      -8.076371      5.825100      4.113096
  O      -9.015884      5.285869      3.321061
  C     -12.459395      5.201542      5.780428
  C     -11.245298      5.740193      6.498690
  O     -11.227226      6.911944      6.866203
  C     -10.057175      4.858112      6.778995
  C      -9.118699      5.394796      7.668197
  C      -7.951497      4.720608      8.017721
  O      -7.088297      5.311601      8.866958
  C      -7.690513      3.444909      7.434491
  C      -6.403371      2.797723      7.691244
  O      -5.584012      3.302084      8.490584
  C      -6.004914      1.536756      6.921322
  C      -8.635463      2.902526      6.546169
  C      -9.804928      3.578417      6.209648
  O     -10.613242      2.936123      5.318413
  H      -0.394507     -1.528156     -2.236218
  H      -1.239768     -1.509459     -3.828083
  H      -1.715229     -2.649659     -2.515351
  H      -4.058369      1.060586     -1.245690
  H      -5.175746      1.555071      2.100144
  H      -4.141306     -0.869848      5.188625
  H      -2.769332     -1.540648      4.248089
  H      -2.194629     -1.819119      2.338732
  H      -1.048249     -2.823871      0.745200
  H      -9.890290      9.087251      6.110147
  H      -8.816378      9.892415      4.940310
  H     -10.565195      9.700397      4.577382
  H      -7.327128      8.616570      5.965535
  H      -5.372640      8.226888      6.988594
  H      -3.150719      5.926455      6.084386
  H      -4.052304      5.320438      7.465272
  H      -6.836269      4.083563      3.992866
  H      -9.738981      5.998941      3.261081
  H     -12.257346      5.143565      4.694031
  H     -12.759501      4.207530      6.144511
  H     -13.287487      5.907659      5.908315
  H      -9.315519      6.379282      8.092633
  H      -6.329899      4.653712      8.963187
  H      -6.373099      1.619362      5.889308
  H      -6.548497      0.679879      7.368282
  H      -8.462585      1.937866      6.069668
  H     -11.287700      3.545482      4.969525
  N      -2.463981      2.728582      3.962715
  N      -2.324067      3.004041      2.797640
  H      -1.408197      3.459596      2.577088
95
Coordinates from ORCA-job orca E -6715.139889971881
  N      -2.356706      0.457360      5.104263
  Mo     -3.233737      2.208018      5.711644
  N      -4.520179      1.277361      6.921961
  C      -3.985909      0.665127      8.134168
  C      -2.502259      0.376687      7.959530
  N      -1.822667      1.536930      7.290059
  C      -0.578526      1.110190      6.587020
  C      -0.960714      0.217527      5.385882
  C      -1.554679      2.631721      8.276031
  C      -1.638820      3.964403      7.549734
  N      -2.795453      3.883104      6.684276
  H      -0.296307      0.452519      4.531750
  H      -0.798279     -0.849219      5.624611
  H      -0.069695      2.022366      6.251395
  H       0.088847      0.585480      7.290814
  H      -1.737906      4.784040      8.281059
  H      -0.717191      4.163952      6.968497
  H      -2.346741      2.595403      9.034882
  H      -0.585696      2.463272      8.771794
  H      -4.500930     -0.286519      8.368417
  H      -4.152887      1.333787      8.998735
  H      -2.362108     -0.500586      7.320017
  H      -2.018648      0.177607      8.929531
  C      -1.813210     -1.643851     -2.856165
  C      -2.697795     -0.571061     -2.280501
  O      -3.235743      0.253645     -3.012788
  C      -2.944344     -0.489317     -0.788707
  C      -3.816139      0.520755     -0.376630
  C      -4.144969      0.727038      0.964186
  O      -4.989955      1.721416      1.275706
  C      -3.559671     -0.112170      1.963806
  C      -3.879668      0.113677      3.354927
  O      -4.674831      1.028071      3.714538
  C      -3.183774     -0.572904      4.518486
  C      -2.680180     -1.137870      1.542174
  C      -2.371592     -1.337897      0.202446
  O      -1.520540     -2.338315     -0.178383
  C      -9.665578      9.201027      4.934395
  C      -9.399750      7.864034      4.307024
  O     -10.242069      7.373365      3.524764
  C      -8.178504      7.110035      4.630299
  C      -7.201145      7.610219      5.508139
  C      -6.069408      6.874667      5.843074
  O      -5.124868      7.358704      6.699794
  C      -5.884758      5.573824      5.290199
  C      -4.783080      4.698858      5.642732
  O      -4.747593      3.522771      5.147286
  C      -3.659378      5.034780      6.567993
  C      -6.856968      5.077608      4.401704
  C      -7.988415      5.811867      4.062132
  O      -8.888744      5.269346      3.227470
  C     -12.384402      5.114981      5.553864
  C     -11.203000      5.654960      6.325202
  O     -11.207389      6.825123      6.699848
  C     -10.025264      4.777640      6.645290
  C      -9.124909      5.309771      7.577401
  C      -7.969143      4.638827      7.965769
  O      -7.143229      5.226395      8.854677
  C      -7.674745      3.371056      7.379719
  C      -6.393041      2.733039      7.679395
  O      -5.611676      3.234884      8.517121
  C      -5.949523      1.484638      6.909211
  C      -8.581214      2.832185      6.449960
  C      -9.741996      3.503681      6.075341
  O     -10.510575      2.865540      5.147349
  H      -0.800980     -1.582207     -2.430533
  H      -1.776778     -1.526528     -3.944652
  H      -2.192440     -2.641797     -2.590536
  H      -4.249252      1.166824     -1.141433
  H      -5.068874      1.710791      2.277814
  H      -3.981194     -0.856247      5.235368
  H      -2.606116     -1.470413      4.258910
  H      -2.230389     -1.797046      2.286989
  H      -1.250893     -2.841162      0.611550
  H      -9.904337      9.054203      6.000489
  H      -8.797068      9.872093      4.872970
  H     -10.528667      9.662758      4.443471
  H      -7.335873      8.596635      5.957032
  H      -5.421969      8.217546      7.054219
  H      -3.146700      5.948225      6.201090
  H      -4.078866      5.329586      7.551542
  H      -6.732695      4.080314      3.981149
  H      -9.611033      5.977629      3.131881
  H     -12.135487      5.060193      4.477160
  H     -12.697974      4.118976      5.902514
  H     -13.219015      5.818834      5.648177
  H      -9.343129      6.289400      8.003215
  H      -6.384959      4.574134      8.975013
  H      -6.288082      1.571180      5.867303
  H      -6.495396      0.616845      7.331205
  H      -8.382207      1.873238      5.971266
  H     -11.180828      3.470993      4.782791
  N      -2.367515      2.804382      4.076420
  N      -2.270829      3.085696      2.904907
  H      -1.376123      3.587667      2.677552
95
Coordinates from ORCA-job orca E -6715.141539101848
  N      -2.226654      0.508038      5.183554
  Mo     -3.146621      2.223706      5.786171
  N      -4.451802      1.249217      6.945360
  C      -3.940984      0.635456      8.166710
  C      -2.446448      0.378443      8.031513
  N      -1.772132      1.561220      7.395627
  C      -0.499983      1.168576      6.721987
  C      -0.835007      0.281342      5.501678
  C      -1.558337      2.643730      8.408974
  C      -1.648375      3.988520      7.705688
  N      -2.774684      3.895846      6.801388
  H      -0.152237      0.537062      4.669452
  H      -0.663242     -0.784945      5.734004
  H      -0.003319      2.093976      6.404377
  H       0.162732      0.652092      7.435614
  H      -1.789803      4.790714      8.449579
  H      -0.712994      4.220837      7.159771
  H      -2.376179      2.576912      9.137076
  H      -0.603936      2.487090      8.935174
  H      -4.437017     -0.331451      8.380571
  H      -4.144360      1.288531      9.035635
  H      -2.271234     -0.490580      7.389458
  H      -1.991229      0.178424      9.014722
  C      -2.314880     -1.604435     -2.924504
  C      -3.084102     -0.488167     -2.268048
  O      -3.635050      0.372595     -2.947767
  C      -3.195959     -0.406037     -0.762522
  C      -3.972294      0.647352     -0.272192
  C      -4.174821      0.861508      1.090386
  O      -4.934093      1.901058      1.470675
  C      -3.556149     -0.016322      2.039321
  C      -3.754312      0.208898      3.449675
  O      -4.468654      1.165339      3.876052
  C      -3.033754     -0.520586      4.572605
  C      -2.773719     -1.084385      1.538125
  C      -2.589246     -1.290953      0.176429
  O      -1.828850     -2.332683     -0.274459
  C      -9.638196      9.154277      4.819368
  C      -9.331773      7.823788      4.196252
  O     -10.134209      7.326390      3.377606
  C      -8.118053      7.082475      4.566912
  C      -7.178377      7.585069      5.483259
  C      -6.053286      6.858832      5.859165
  O      -5.147614      7.348946      6.754388
  C      -5.832449      5.561962      5.310492
  C      -4.736024      4.695884      5.694874
  O      -4.671127      3.523805      5.195022
  C      -3.645563      5.040129      6.658942
  C      -6.767265      5.061911      4.383493
  C      -7.891205      5.787150      4.003873
  O      -8.752789      5.236654      3.133317
  C     -12.298635      5.008394      5.309426
  C     -11.153675      5.554230      6.131544
  O     -11.184146      6.723296      6.509777
  C      -9.987205      4.685209      6.496279
  C      -9.126044      5.217676      7.465875
  C      -7.981993      4.553223      7.894207
  O      -7.193942      5.143777      8.816253
  C      -7.652926      3.290325      7.313530
  C      -6.375665      2.666084      7.657665
  O      -5.633507      3.172918      8.526587
  C      -5.885386      1.428616      6.894573
  C      -8.520202      2.749726      6.348688
  C      -9.671853      3.414382      5.933529
  O     -10.397941      2.773717      4.974050
  H      -1.267081     -1.600726     -2.590065
  H      -2.367215     -1.482074     -4.011819
  H      -2.726195     -2.581174     -2.628871
  H      -4.432233      1.322582     -0.995302
  H      -4.931403      1.893136      2.474013
  H      -3.826517     -0.836049      5.283332
  H      -2.451409     -1.404251      4.278173
  H      -2.299947     -1.772710      2.241448
  H      -1.515856     -2.851402      0.488942
  H      -9.911515      9.004063      5.876707
  H      -8.776332      9.837013      4.788962
  H     -10.488311      9.605661      4.296906
  H      -7.339729      8.568824      5.930355
  H      -5.465749      8.204453      7.099035
  H      -3.134088      5.961169      6.309125
  H      -4.099772      5.331002      7.627617
  H      -6.618902      4.067582      3.963489
  H      -9.476480      5.936893      3.007238
  H     -12.001949      4.957305      4.245114
  H     -12.622835      4.010637      5.644142
  H     -13.140417      5.707526      5.369564
  H      -9.365717      6.194560      7.886989
  H      -6.435276      4.497682      8.960538
  H      -6.194405      1.515213      5.843606
  H      -6.429079      0.551030      7.298180
  H      -8.295588      1.794668      5.873037
  H     -11.063204      3.371936      4.588232
  N      -2.255483      2.871533      4.180473
  N      -2.202534      3.152135      3.002906
  H      -1.329637      3.695311      2.762289
95
Coordinates from ORCA-job orca E -6715.143452980707
  N      -2.097599      0.584760      5.232191
  Mo     -3.069779      2.254048      5.839757
  N      -4.388821      1.223018      6.936601
  C      -3.904387      0.597754      8.163421
  C      -2.399411      0.377540      8.070680
  N      -1.735459      1.589500      7.480330
  C      -0.433849      1.241922      6.838820
  C      -0.713170      0.373675      5.591673
  C      -1.579853      2.649817      8.526844
  C      -1.677136      4.009943      7.856849
  N      -2.769530      3.911474      6.912706
  H      -0.011870      0.661159      4.786843
  H      -0.528965     -0.693336      5.808233
  H       0.047958      2.184747      6.551108
  H       0.221116      0.727877      7.560766
  H      -1.864751      4.787669      8.616303
  H      -0.729452      4.279961      7.351090
  H      -2.422149      2.544725      9.221187
  H      -0.640954      2.500464      9.081605
  H      -4.380103     -0.386095      8.344471
  H      -4.149803      1.225933      9.039731
  H      -2.183224     -0.475437      7.419895
  H      -1.972450      0.170158      9.064703
  C      -2.766516     -1.632121     -2.939623
  C      -3.446250     -0.484646     -2.238443
  O      -4.025781      0.383701     -2.883835
  C      -3.432218     -0.379373     -0.731466
  C      -4.133176      0.704483     -0.194927
  C      -4.216660      0.945231      1.174114
  O      -4.907138      2.019085      1.591012
  C      -3.550482      0.059060      2.087255
  C      -3.630296      0.296940      3.502151
  O      -4.293801      1.274199      3.976401
  C      -2.874615     -0.448951      4.591900
  C      -2.845560     -1.038679      1.538580
  C      -2.777071     -1.268584      0.170738
  O      -2.084923     -2.336749     -0.323045
  C      -9.615095      9.130175      4.764007
  C      -9.270483      7.815530      4.128705
  O     -10.031119      7.324355      3.267887
  C      -8.063719      7.081645      4.534393
  C      -7.164757      7.576246      5.493957
  C      -6.047301      6.856028      5.900987
  O      -5.182124      7.339980      6.839110
  C      -5.790017      5.571135      5.341218
  C      -4.699062      4.711213      5.749309
  O      -4.603394      3.548914      5.233673
  C      -3.644063      5.050804      6.754989
  C      -6.683921      5.077467      4.369918
  C      -7.799893      5.797861      3.959774
  O      -8.620958      5.251437      3.047493
  C     -12.214866      4.920895      5.089901
  C     -11.106651      5.461654      5.964758
  O     -11.161921      6.624401      6.359535
  C      -9.949087      4.597519      6.358833
  C      -9.128336      5.117287      7.369779
  C      -7.995420      4.454488      7.826489
  O      -7.245236      5.035907      8.786078
  C      -7.632166      3.205156      7.234973
  C      -6.360445      2.589689      7.614755
  O      -5.660772      3.087457      8.522240
  C      -5.824195      1.373490      6.847072
  C      -8.458881      2.676583      6.229741
  C      -9.601056      3.339630      5.785211
  O     -10.283060      2.709859      4.787023
  H      -1.694599     -1.652662     -2.694867
  H      -2.906690     -1.523660     -4.020478
  H      -3.179484     -2.591680     -2.594888
  H      -4.628953      1.384720     -0.888909
  H      -4.820147      2.036985      2.588580
  H      -3.659818     -0.808562      5.292492
  H      -2.274806     -1.310023      4.266776
  H      -2.336796     -1.732045      2.212741
  H      -1.718680     -2.850080      0.420148
  H      -9.921511      8.960089      5.808956
  H      -8.760480      9.822779      4.772746
  H     -10.451305      9.579706      4.218044
  H      -7.354215      8.550596      5.950769
  H      -5.522058      8.187210      7.183271
  H      -3.128811      5.979604      6.431374
  H      -4.130918      5.328284      7.710775
  H      -6.509695      4.092476      3.938712
  H      -9.345192      5.946842      2.903328
  H     -11.874313      4.887513      4.038722
  H     -12.547467      3.917605      5.398268
  H     -13.062603      5.614277      5.127055
  H      -9.390558      6.084566      7.799423
  H      -6.484335      4.394241      8.940909
  H      -6.103365      1.471659      5.789035
  H      -6.361594      0.480470      7.224380
  H      -8.208996      1.733129      5.744046
  H     -10.942329      3.306255      4.388346
  N      -2.137452      2.980516      4.275984
  N      -2.104538      3.268839      3.098220
  H      -1.257798      3.856986      2.858780
95
Coordinates from ORCA-job orca E -6715.146056822639
  N      -2.018036      0.642930      5.251459
  Mo     -3.041328      2.266066      5.854961
  N      -4.355315      1.198467      6.925433
  C      -3.886780      0.569468      8.158934
  C      -2.375250      0.376027      8.089260
  N      -1.728001      1.607543      7.523460
  C      -0.407023      1.290920      6.908628
  C      -0.645610      0.435694      5.648275
  C      -1.611084      2.655315      8.585079
  C      -1.717514      4.020708      7.934543
  N      -2.787620      3.911169      6.967914
  H       0.070227      0.743564      4.864572
  H      -0.459082     -0.632372      5.854428
  H       0.063643      2.244794      6.640777
  H       0.238258      0.778460      7.639931
  H      -1.939342      4.782206      8.700654
  H      -0.764631      4.317151      7.454240
  H      -2.466550      2.520730      9.257567
  H      -0.679540      2.513343      9.153714
  H      -4.350149     -0.423222      8.319535
  H      -4.159414      1.183297      9.036630
  H      -2.130139     -0.464551      7.432850
  H      -1.957142      0.169933      9.086966
  C      -3.026873     -1.694947     -2.925122
  C      -3.625788     -0.507621     -2.218186
  O      -4.194061      0.373677     -2.854708
  C      -3.546086     -0.374240     -0.713996
  C      -4.175828      0.748620     -0.170824
  C      -4.193638      1.018905      1.193964
  O      -4.821836      2.131358      1.611188
  C      -3.528219      0.116292      2.095737
  C      -3.531135      0.371455      3.501862
  O      -4.129784      1.393818      3.987929
  C      -2.770079     -0.389126      4.576701
  C      -2.896826     -1.019378      1.540266
  C      -2.893399     -1.275437      0.178019
  O      -2.268583     -2.378358     -0.328186
  C      -9.602850      9.127968      4.749428
  C      -9.242742      7.829142      4.096048
  O      -9.976419      7.350306      3.206172
  C      -8.040709      7.090605      4.519858
  C      -7.168732      7.575499      5.506579
  C      -6.058798      6.856186      5.929835
  O      -5.216796      7.327160      6.895429
  C      -5.782986      5.581657      5.357933
  C      -4.696268      4.725492      5.779852
  O      -4.582868      3.570646      5.252438
  C      -3.659724      5.051940      6.808665
  C      -6.650414      5.093906      4.357796
  C      -7.760231      5.815761      3.932633
  O      -8.559485      5.276392      2.995834
  C     -12.162628      4.874942      4.981430
  C     -11.074853      5.407117      5.886341
  O     -11.141806      6.563713      6.295161
  C      -9.921164      4.543869      6.294949
  C      -9.123449      5.051151      7.328503
  C      -7.998107      4.385691      7.798867
  O      -7.271075      4.958021      8.781639
  C      -7.618366      3.144771      7.197308
  C      -6.349008      2.530258      7.593002
  O      -5.669984      3.021433      8.518207
  C      -5.791738      1.328669      6.820737
  C      -8.422330      2.629281      6.169126
  C      -9.557243      3.296185      5.710451
  O     -10.211223      2.676164      4.687026
  H      -1.947155     -1.756061     -2.728586
  H      -3.211518     -1.597282     -3.999995
  H      -3.464732     -2.629404     -2.546044
  H      -4.669826      1.437241     -0.857203
  H      -4.703386      2.165848      2.603322
  H      -3.562456     -0.786419      5.251756
  H      -2.157080     -1.233527      4.232874
  H      -2.389832     -1.722907      2.206064
  H      -1.888315     -2.892792      0.407411
  H      -9.927578      8.933820      5.783827
  H      -8.749023      9.819484      4.785137
  H     -10.428661      9.585386      4.194479
  H      -7.374350      8.542174      5.971628
  H      -5.568129      8.168732      7.241174
  H      -3.131054      5.979221      6.501891
  H      -4.158520      5.318664      7.759875
  H      -6.462551      4.116585      3.917229
  H      -9.283337      5.974245      2.851790
  H     -11.796913      4.855943      3.939249
  H     -12.501660      3.869477      5.271935
  H     -13.012257      5.566120      5.009291
  H      -9.397431      6.011458      7.765606
  H      -6.510907      4.311354      8.939037
  H      -6.062019      1.433553      5.761584
  H      -6.314625      0.424452      7.192473
  H      -8.161597      1.695280      5.672517
  H     -10.863509      3.274087      4.280308
  N      -2.057410      3.067885      4.316620
  N      -2.033520      3.352249      3.140112
  H      -1.214726      3.966868      2.880098
95
Coordinates from ORCA-job orca E -6715.148318291768
  N      -1.919640      0.733477      5.242358
  Mo     -3.014069      2.309803      5.852767
  N      -4.325450      1.184113      6.868900
  C      -3.872607      0.530623      8.096185
  C      -2.355749      0.372475      8.056771
  N      -1.725433      1.634886      7.545746
  C      -0.381450      1.371998      6.960206
  C      -0.559391      0.546696      5.676472
  C      -1.655151      2.652605      8.636386
  C      -1.771421      4.028417      8.020328
  N      -2.814397      3.922985      7.027582
  H       0.172238      0.888393      4.920304
  H      -0.358012     -0.522655      5.862840
  H       0.066611      2.346987      6.733995
  H       0.254543      0.857882      7.699326
  H      -2.029894      4.764763      8.799086
  H      -0.813243      4.357324      7.571596
  H      -2.521881      2.478629      9.285985
  H      -0.731829      2.509311      9.219121
  H      -4.325730     -0.472644      8.209002
  H      -4.181741      1.113814      8.981642
  H      -2.070368     -0.438053      7.379410
  H      -1.947784      0.149870      9.055395
  C      -3.252529     -1.833222     -2.872462
  C      -3.854388     -0.648174     -2.171619
  O      -4.495174      0.188576     -2.797161
  C      -3.690483     -0.458501     -0.674593
  C      -4.333589      0.653262     -0.130531
  C      -4.281456      0.963924      1.226644
  O      -4.928486      2.059933      1.656029
  C      -3.525062      0.112008      2.101033
  C      -3.453064      0.398856      3.492239
  O      -4.089432      1.397626      3.991558
  C      -2.616814     -0.316710      4.531881
  C      -2.876832     -1.013533      1.544800
  C      -2.945503     -1.307271      0.195211
  O      -2.309589     -2.395904     -0.331871
  C      -9.589860      9.172762      4.837469
  C      -9.213740      7.902790      4.142438
  O      -9.923945      7.457522      3.216428
  C      -8.018663      7.146149      4.569903
  C      -7.174773      7.606992      5.591171
  C      -6.073655      6.878404      6.015628
  O      -5.251793      7.319588      7.011729
  C      -5.786332      5.623743      5.407307
  C      -4.700522      4.764492      5.831164
  O      -4.566210      3.626273      5.271542
  C      -3.686594      5.061423      6.884352
  C      -6.626899      5.159717      4.373673
  C      -7.729870      5.892801      3.946635
  O      -8.512914      5.386322      2.977759
  C     -12.095420      4.861890      4.820170
  C     -11.037835      5.367088      5.772156
  O     -11.119770      6.507619      6.218499
  C      -9.885571      4.495498      6.190059
  C      -9.124434      4.978813      7.258398
  C      -8.006688      4.307007      7.742889
  O      -7.313808      4.853227      8.762362
  C      -7.604538      3.088343      7.113996
  C      -6.341355      2.466835      7.523752
  O      -5.692559      2.930265      8.484488
  C      -5.757143      1.295169      6.733624
  C      -8.374435      2.597553      6.049065
  C      -9.500192      3.270219      5.578669
  O     -10.120411      2.673923      4.519389
  H      -2.161486     -1.846908     -2.743671
  H      -3.509693     -1.776045     -3.934928
  H      -3.624354     -2.771651     -2.438704
  H      -4.896612      1.298704     -0.804812
  H      -4.754217      2.125014      2.637459
  H      -3.370165     -0.798343      5.199924
  H      -1.951043     -1.103120      4.153298
  H      -2.301428     -1.675179      2.195788
  H      -1.858644     -2.873920      0.388122
  H      -9.932873      8.929637      5.854564
  H      -8.738937      9.861573      4.917396
  H     -10.407059      9.651100      4.288097
  H      -7.392538      8.558053      6.079543
  H      -5.612994      8.150158      7.372099
  H      -3.143528      5.992428      6.614014
  H      -4.199120      5.299956      7.836045
  H      -6.425647      4.197496      3.908591
  H      -9.232388      6.097461      2.850357
  H     -11.700381      4.876225      3.788519
  H     -12.437806      3.847306      5.067796
  H     -12.947780      5.549371      4.844052
  H      -9.419326      5.923708      7.713482
  H      -6.552333      4.201542      8.917529
  H      -6.008699      1.422463      5.672625
  H      -6.266838      0.370468      7.074380
  H      -8.095389      1.681124      5.532060
  H     -10.766227      3.278688      4.114715
  N      -1.969633      3.217983      4.377231
  N      -1.887861      3.511153      3.211683
  H      -1.096461      4.146876      2.966631
95
Coordinates from ORCA-job orca E -6715.150813554704
  N      -1.818068      0.797959      5.261938
  Mo     -2.964175      2.337753      5.884627
  N      -4.278468      1.166116      6.849923
  C      -3.835285      0.502352      8.071823
  C      -2.318513      0.371667      8.059927
  N      -1.697945      1.655028      7.590117
  C      -0.335869      1.428619      7.030884
  C      -0.465498      0.622512      5.729163
  C      -1.668623      2.651054      8.703516
  C      -1.798536      4.035364      8.108479
  N      -2.820533      3.932334      7.093902
  H       0.283624      0.985184      4.999326
  H      -0.252997     -0.447470      5.903099
  H       0.096330      2.417449      6.834313
  H       0.293956      0.915855      7.777024
  H      -2.085116      4.752968      8.895694
  H      -0.837528      4.390791      7.684807
  H      -2.544082      2.451695      9.334340
  H      -0.754928      2.510611      9.302507
  H      -4.272505     -0.511309      8.156468
  H      -4.172334      1.063439      8.961974
  H      -2.005360     -0.419469      7.371734
  H      -1.926658      0.134409      9.062131
  C      -3.613577     -1.867699     -2.805772
  C      -4.123359     -0.645675     -2.096963
  O      -4.765811      0.206560     -2.700080
  C      -3.861276     -0.436966     -0.615188
  C      -4.425330      0.710104     -0.058382
  C      -4.278559      1.041351      1.288719
  O      -4.853206      2.167927      1.736990
  C      -3.506132      0.175931      2.131921
  C      -3.337475      0.484734      3.511367
  O      -3.899024      1.516565      4.031612
  C      -2.478069     -0.245053      4.513268
  C      -2.936695     -0.989184      1.562165
  C      -3.099514     -1.302364      0.224194
  O      -2.540833     -2.424881     -0.319300
  C      -9.592496      9.153721      4.829918
  C      -9.182818      7.899545      4.120921
  O      -9.864054      7.473157      3.163265
  C      -7.995927      7.143721      4.565548
  C      -7.183245      7.591046      5.620279
  C      -6.087283      6.861217      6.057928
  O      -5.295032      7.291864      7.082550
  C      -5.774143      5.620228      5.432291
  C      -4.687897      4.764483      5.866985
  O      -4.524891      3.636526      5.291152
  C      -3.703659      5.060004      6.945235
  C      -6.583789      5.172530      4.368826
  C      -7.680113      5.906137      3.925699
  O      -8.431965      5.418165      2.923280
  C     -12.018036      4.802636      4.639352
  C     -10.998098      5.297737      5.635969
  O     -11.107637      6.427148      6.105279
  C      -9.847165      4.428498      6.068664
  C      -9.126293      4.899855      7.170551
  C      -8.015406      4.231190      7.677601
  O      -7.362552      4.759793      8.731443
  C      -7.579876      3.032138      7.036001
  C      -6.325455      2.412855      7.472356
  O      -5.712283      2.859541      8.465333
  C      -5.705730      1.259508      6.680083
  C      -8.309557      2.553684      5.936137
  C      -9.428423      3.221331      5.444295
  O     -10.011126      2.640255      4.355300
  H      -2.517670     -1.924937     -2.742168
  H      -3.932738     -1.820649     -3.852083
  H      -3.993513     -2.782449     -2.329230
  H      -5.001751      1.365997     -0.711435
  H      -4.619781      2.242596      2.704747
  H      -3.212377     -0.772509      5.170161
  H      -1.790147     -0.995539      4.104391
  H      -2.350593     -1.660884      2.191535
  H      -2.063987     -2.908344      0.379931
  H      -9.959921      8.888515      5.833305
  H      -8.752422      9.850912      4.947936
  H     -10.400676      9.635658      4.270217
  H      -7.419859      8.530904      6.121901
  H      -5.672122      8.113413      7.447582
  H      -3.167306      6.002189      6.700164
  H      -4.240871      5.282232      7.888978
  H      -6.360913      4.221573      3.889075
  H      -9.148109      6.131472      2.783234
  H     -11.591735      4.841799      3.619856
  H     -12.354888      3.777642      4.852613
  H     -12.878316      5.480768      4.648991
  H      -9.448396      5.831246      7.635313
  H      -6.599255      4.114842      8.898676
  H      -5.932411      1.397589      5.614436
  H      -6.213573      0.323196      6.990947
  H      -8.001963      1.650266      5.411344
  H     -10.654324      3.245073      3.946007
  N      -1.898730      3.299919      4.471572
  N      -1.794139      3.590227      3.306998
  H      -1.020223      4.250828      3.081660
95
Coordinates from ORCA-job orca E -6715.152709733660
  N      -1.776908      0.866812      5.232767
  Mo     -2.950541      2.379466      5.884610
  N      -4.264016      1.189174      6.822692
  C      -3.831525      0.506400      8.034305
  C      -2.319953      0.375102      8.030974
  N      -1.695606      1.666861      7.592811
  C      -0.324660      1.446684      7.054716
  C      -0.433815      0.669173      5.731268
  C      -1.681376      2.639766      8.727775
  C      -1.812130      4.033611      8.149623
  N      -2.829055      3.944581      7.126738
  H       0.335684      1.041649      5.027337
  H      -0.229192     -0.406023      5.884223
  H       0.117588      2.437409      6.891427
  H       0.287883      0.912723      7.800925
  H      -2.106433      4.739425      8.945402
  H      -0.849292      4.398623      7.736868
  H      -2.562328      2.430457      9.347120
  H      -0.774218      2.490961      9.334478
  H      -4.272716     -0.507757      8.096436
  H      -4.174893      1.054431      8.930932
  H      -2.004919     -0.403335      7.328634
  H      -1.935538      0.116169      9.030965
  C      -3.720985     -2.070714     -2.773777
  C      -4.169386     -0.795983     -2.118382
  O      -4.781488      0.055995     -2.752920
  C      -3.879821     -0.534020     -0.649777
  C      -4.387111      0.660621     -0.143637
  C      -4.212757      1.045106      1.188529
  O      -4.737597      2.211055      1.590150
  C      -3.469032      0.190743      2.062752
  C      -3.259739      0.566252      3.428230
  O      -3.777446      1.636196      3.896857
  C      -2.411407     -0.156813      4.440505
  C      -2.953572     -1.026228      1.543807
  C      -3.147572     -1.394813      0.221332
  O      -2.645455     -2.565720     -0.270439
  C      -9.636210      9.160636      4.946680
  C      -9.199182      7.930043      4.205424
  O      -9.873630      7.527008      3.230828
  C      -8.007503      7.181130      4.633361
  C      -7.206992      7.605352      5.711054
  C      -6.104845      6.873559      6.133541
  O      -5.326453      7.285550      7.177043
  C      -5.771205      5.653816      5.473834
  C      -4.682131      4.796096      5.897302
  O      -4.498313      3.682312      5.296679
  C      -3.714966      5.074600      6.994587
  C      -6.566121      5.235678      4.389804
  C      -7.666261      5.969750      3.958601
  O      -8.399366      5.508410      2.930004
  C     -12.017242      4.791501      4.580820
  C     -11.023959      5.277493      5.608592
  O     -11.164355      6.390508      6.110212
  C      -9.862708      4.415718      6.028976
  C      -9.165531      4.870679      7.154958
  C      -8.049615      4.208704      7.661762
  O      -7.422137      4.716504      8.740540
  C      -7.584572      3.035398      6.996351
  C      -6.333713      2.418109      7.440560
  O      -5.743926      2.844404      8.458003
  C      -5.691493      1.280906      6.635478
  C      -8.290201      2.573340      5.871750
  C      -9.412682      3.233402      5.379178
  O      -9.973364      2.672663      4.267872
  H      -2.627244     -2.172935     -2.718009
  H      -4.049974     -2.059324     -3.818500
  H      -4.133895     -2.945651     -2.250322
  H      -4.943347      1.310204     -0.820981
  H      -4.510221      2.317846      2.555621
  H      -3.145802     -0.714622      5.074480
  H      -1.704937     -0.885792      4.022872
  H      -2.389875     -1.690933      2.199276
  H      -2.181436     -3.037710      0.444811
  H     -10.006167      8.862789      5.940973
  H      -8.809826      9.870618      5.089913
  H     -10.450444      9.645180      4.397754
  H      -7.459184      8.525657      6.241589
  H      -5.716770      8.091163      7.563803
  H      -3.177180      6.022448      6.777294
  H      -4.262762      5.273612      7.938558
  H      -6.326661      4.302692      3.881067
  H      -9.119486      6.217794      2.794524
  H     -11.577188      4.869909      3.568677
  H     -12.332736      3.751814      4.757915
  H     -12.892237      5.450894      4.596979
  H      -9.511977      5.783313      7.639918
  H      -6.649884      4.087066      8.904742
  H      -5.906203      1.436431      5.569501
  H      -6.201517      0.338318      6.921226
  H      -7.959701      1.686919      5.330596
  H     -10.619914      3.278893      3.864723
  N      -1.830379      3.393592      4.540081
  N      -1.638548      3.704557      3.390465
  H      -0.860138      4.386264      3.241562
95
Coordinates from ORCA-job orca E -6715.155643173473
  N      -1.679980      0.915799      5.254042
  Mo     -2.889576      2.395157      5.900908
  N      -4.205916      1.184563      6.806084
  C      -3.794740      0.492914      8.019897
  C      -2.284057      0.369973      8.040634
  N      -1.662030      1.671777      7.630013
  C      -0.275942      1.465158      7.124525
  C      -0.350405      0.705438      5.786912
  C      -1.681286      2.629411      8.778822
  C      -1.818540      4.028804      8.213212
  N      -2.816474      3.938309      7.170630
  H       0.437435      1.087542      5.109304
  H      -0.149774     -0.371949      5.928405
  H       0.167321      2.459339      6.986964
  H       0.319417      0.921989      7.877730
  H      -2.137384      4.721916      9.010871
  H      -0.853111      4.410778      7.822537
  H      -2.571818      2.403992      9.377815
  H      -0.785008      2.483099      9.401226
  H      -4.232092     -0.523972      8.064021
  H      -4.158080      1.030999      8.915035
  H      -1.953991     -0.398183      7.333191
  H      -1.914740      0.099900      9.043282
  C      -4.050419     -2.005630     -2.689716
  C      -4.471020     -0.739225     -1.999641
  O      -5.135840      0.106518     -2.587002
  C      -4.087153     -0.478069     -0.551995
  C      -4.576088      0.708237     -0.011491
  C      -4.322222      1.092660      1.308898
  O      -4.844518      2.247823      1.744668
  C      -3.510724      0.249561      2.130000
  C      -3.204081      0.632800      3.478350
  O      -3.710182      1.689862      3.977022
  C      -2.291453     -0.092036      4.428743
  C      -3.011826     -0.959146      1.576375
  C      -3.288031     -1.330704      0.267884
  O      -2.803034     -2.493920     -0.255002
  C      -9.638890      9.109157      4.905767
  C      -9.159188      7.898718      4.154533
  O      -9.802206      7.504493      3.154352
  C      -7.970956      7.161525      4.601028
  C      -7.202962      7.575469      5.707683
  C      -6.101074      6.850528      6.143738
  O      -5.354187      7.255988      7.213297
  C      -5.731969      5.646494      5.472130
  C      -4.644603      4.796482      5.909564
  O      -4.426775      3.694717      5.295970
  C      -3.709049      5.066477      7.037710
  C      -6.493719      5.240621      4.360234
  C      -7.592515      5.967494      3.914817
  O      -8.292351      5.515394      2.859226
  C     -11.945401      4.706597      4.397939
  C     -10.992678      5.196687      5.462244
  O     -11.171757      6.298193      5.977294
  C      -9.828954      4.349781      5.902080
  C      -9.171579      4.801047      7.054255
  C      -8.059631      4.151848      7.585325
  O      -7.475808      4.654757      8.690575
  C      -7.554210      2.994729      6.919332
  C      -6.309649      2.387060      7.392491
  O      -5.750708      2.808087      8.429637
  C      -5.633541      1.263888      6.591159
  C      -8.219607      2.536774      5.768080
  C      -9.338383      3.183917      5.250593
  O      -9.857424      2.629141      4.116304
  H      -2.953857     -2.091633     -2.709298
  H      -4.449892     -1.996725     -3.709809
  H      -4.414494     -2.887875     -2.142304
  H      -5.186176      1.350391     -0.648782
  H      -4.579141      2.356706      2.698274
  H      -2.987879     -0.713064      5.049767
  H      -1.569310     -0.771835      3.955499
  H      -2.395491     -1.614652      2.193371
  H      -2.284373     -2.960373      0.425689
  H     -10.029811      8.788829      5.885428
  H      -8.829648      9.832168      5.082156
  H     -10.447305      9.588564      4.343778
  H      -7.481517      8.482417      6.248674
  H      -5.765397      8.049451      7.603808
  H      -3.170326      6.019523      6.848445
  H      -4.278333      5.245614      7.972227
  H      -6.228601      4.320664      3.839706
  H      -9.019217      6.215598      2.717176
  H     -11.476634      4.809191      3.400988
  H     -12.244239      3.657879      4.551414
  H     -12.833999      5.348004      4.397849
  H      -9.548657      5.700490      7.541555
  H      -6.700095      4.037323      8.874318
  H      -5.830449      1.426727      5.523024
  H      -6.140060      0.314985      6.860801
  H      -7.858876      1.662690      5.225787
  H     -10.501126      3.230840      3.701232
  N      -1.700691      3.470691      4.635404
  N      -1.434243      3.792128      3.502049
  H      -0.658658      4.496043      3.412421
95
Coordinates from ORCA-job orca E -6715.157887478485
  N      -1.584723      1.017709      5.244559
  Mo     -2.837894      2.449916      5.908844
  N      -4.151282      1.181011      6.738742
  C      -3.761607      0.457420      7.942853
  C      -2.247204      0.360763      7.996666
  N      -1.639869      1.687406      7.644636
  C      -0.239520      1.523996      7.165461
  C      -0.271014      0.805529      5.807227
  C      -1.702321      2.605104      8.823665
  C      -1.853537      4.020090      8.306875
  N      -2.826574      3.945620      7.241181
  H       0.528401      1.213030      5.160146
  H      -0.063762     -0.273012      5.924871
  H       0.187007      2.529810      7.066454
  H       0.350049      0.970415      7.915028
  H      -2.203222      4.678703      9.119858
  H      -0.888331      4.433866      7.951319
  H      -2.600773      2.342034      9.394850
  H      -0.816948      2.453281      9.459726
  H      -4.181039     -0.567335      7.944891
  H      -4.158112      0.960603      8.843807
  H      -1.885590     -0.376232      7.271903
  H      -1.896047      0.061865      8.997522
  C      -4.350822     -2.110098     -2.551279
  C      -4.765498     -0.843732     -1.857626
  O      -5.506808     -0.039205     -2.409164
  C      -4.280582     -0.530983     -0.450271
  C      -4.772709      0.648729      0.101930
  C      -4.433028      1.075487      1.388400
  O      -4.966996      2.225052      1.832552
  C      -3.528904      0.280833      2.161432
  C      -3.135702      0.698149      3.473199
  O      -3.641161      1.746897      3.995488
  C      -2.148499      0.016332      4.373619
  C      -3.026181     -0.917597      1.595541
  C      -3.386871     -1.330678      0.322220
  O      -2.898947     -2.486658     -0.212930
  C      -9.642248      9.116040      4.971303
  C      -9.123777      7.946496      4.186427
  O      -9.724363      7.587634      3.148194
  C      -7.944071      7.202155      4.644416
  C      -7.214944      7.583693      5.786063
  C      -6.119274      6.856083      6.229758
  O      -5.407754      7.231625      7.333577
  C      -5.717024      5.680547      5.528874
  C      -4.631287      4.829740      5.966817
  O      -4.381085      3.756490      5.320133
  C      -3.728365      5.066534      7.127551
  C      -6.441163      5.303994      4.381190
  C      -7.534231      6.035530      3.928728
  O      -8.200208      5.612082      2.840792
  C     -11.842560      4.676604      4.180045
  C     -10.934180      5.139799      5.294113
  O     -11.141335      6.222337      5.835764
  C      -9.779130      4.290308      5.750410
  C      -9.168360      4.710108      6.938211
  C      -8.068733      4.055691      7.486355
  O      -7.528686      4.530256      8.625923
  C      -7.525938      2.926790      6.801649
  C      -6.289773      2.320762      7.297994
  O      -5.770969      2.716629      8.363975
  C      -5.571959      1.235917      6.485065
  C      -8.145183      2.499151      5.614808
  C      -9.253043      3.150685      5.080215
  O      -9.723683      2.628320      3.910917
  H      -3.257388     -2.153387     -2.657506
  H      -4.830159     -2.143270     -3.535450
  H      -4.632949     -2.990825     -1.956749
  H      -5.454392      1.251574     -0.499035
  H      -4.629281      2.379266      2.753842
  H      -2.796604     -0.676831      4.971003
  H      -1.395610     -0.598069      3.859565
  H      -2.338929     -1.535042      2.176992
  H      -2.307844     -2.914241      0.433331
  H     -10.059334      8.749743      5.922926
  H      -8.849022      9.840185      5.204042
  H     -10.437983      9.607811      4.402669
  H      -7.518891      8.468749      6.348139
  H      -5.838132      8.007839      7.737179
  H      -3.195046      6.030924      6.985518
  H      -4.320905      5.207014      8.052195
  H      -6.151521      4.405773      3.838109
  H      -8.931203      6.310412      2.708288
  H     -11.336401      4.809883      3.206008
  H     -12.141435      3.623555      4.292088
  H     -12.734290      5.312905      4.163654
  H      -9.572195      5.589278      7.440031
  H      -6.753170      3.913293      8.818046
  H      -5.741800      1.425330      5.417317
  H      -6.066750      0.269929      6.715075
  H      -7.755579      1.648352      5.057552
  H     -10.360948      3.236024      3.495748
  N      -1.616445      3.616556      4.733206
  N      -1.310484      3.957021      3.617355
  H      -0.550994      4.682448      3.566556
95
Coordinates from ORCA-job orca E -6715.159419806037
  N      -1.515372      1.091903      5.229787
  Mo     -2.801077      2.483553      5.916249
  N      -4.114766      1.181779      6.696837
  C      -3.739590      0.440564      7.894475
  C      -2.225456      0.354327      7.968332
  N      -1.623521      1.692692      7.653910
  C      -0.214507      1.549439      7.194970
  C      -0.217056      0.863748      5.821143
  C      -1.710686      2.585323      8.850561
  C      -1.871462      4.009236      8.362047
  N      -2.833122      3.946235      7.285575
  H       0.597478      1.284097      5.201523
  H      -0.013568     -0.217944      5.917037
  H       0.206556      2.560305      7.127493
  H       0.365656      0.982533      7.942054
  H      -2.236784      4.646992      9.184670
  H      -0.907219      4.441013      8.025247
  H      -2.612652      2.300780      9.406108
  H      -0.831258      2.429216      9.494089
  H      -4.151614     -0.586708      7.871983
  H      -4.153529      0.925385      8.797715
  H      -1.848117     -0.362939      7.231892
  H      -1.884988      0.034418      8.966566
  C      -4.589093     -2.190470     -2.420649
  C      -4.984159     -0.913918     -1.734284
  O      -5.771625     -0.135864     -2.259814
  C      -4.420532     -0.558322     -0.367138
  C      -4.898257      0.627245      0.186556
  C      -4.488014      1.090468      1.438848
  O      -5.015551      2.242680      1.889103
  C      -3.527248      0.329106      2.173214
  C      -3.064113      0.784122      3.449569
  O      -3.553903      1.841167      3.975226
  C      -2.042141      0.113177      4.314289
  C      -3.038653     -0.874490      1.606791
  C      -3.468914     -1.324471      0.367914
  O      -2.995819     -2.486336     -0.168719
  C      -9.655559      9.100013      5.015335
  C      -9.099927      7.967610      4.202740
  O      -9.668184      7.638375      3.136932
  C      -7.922786      7.221394      4.664785
  C      -7.226230      7.574191      5.835221
  C      -6.134501      6.843825      6.283144
  O      -5.452866      7.191213      7.414662
  C      -5.703994      5.694385      5.557152
  C      -4.619198      4.843793      5.997353
  O      -4.340584      3.792036      5.328166
  C      -3.745148      5.058738      7.183371
  C      -6.394854      5.346406      4.380353
  C      -7.483464      6.081796      3.922681
  O      -8.117533      5.687046      2.805570
  C     -11.776556      4.649633      4.028969
  C     -10.908019      5.092416      5.182575
  O     -11.149122      6.153310      5.751884
  C      -9.751342      4.247675      5.645759
  C      -9.180870      4.640403      6.862285
  C      -8.085257      3.987004      7.420192
  O      -7.582276      4.436603      8.586526
  C      -7.507121      2.886782      6.718143
  C      -6.278033      2.280669      7.232210
  O      -5.791846      2.653600      8.321561
  C      -5.529038      1.222402      6.413048
  C      -8.086131      2.486428      5.501874
  C      -9.188085      3.138120      4.955904
  O      -9.617356      2.646916      3.757839
  H      -3.503442     -2.217699     -2.592627
  H      -5.126687     -2.257418     -3.372394
  H      -4.817123     -3.060461     -1.788255
  H      -5.625360      1.204685     -0.385371
  H      -4.622530      2.427455      2.780918
  H      -2.653955     -0.637377      4.880807
  H      -1.269288     -0.445468      3.766717
  H      -2.308279     -1.467700      2.160468
  H      -2.358009     -2.887483      0.449297
  H     -10.089219      8.693847      5.943028
  H      -8.880680      9.827789      5.293739
  H     -10.445337      9.599342      4.444906
  H      -7.552932      8.438283      6.416715
  H      -5.900048      7.950666      7.831728
  H      -3.219152      6.031706      7.076490
  H      -4.357817      5.169670      8.098981
  H      -6.082424      4.468645      3.817030
  H      -8.849833      6.385428      2.674755
  H     -11.244976      4.818783      3.073992
  H     -12.061708      3.589368      4.101038
  H     -12.677305      5.272798      4.004718
  H      -9.612791      5.497472      7.378805
  H      -6.801737      3.826812      8.781364
  H      -5.677896      1.430421      5.345589
  H      -6.016283      0.245628      6.612835
  H      -7.668059      1.658795      4.930575
  H     -10.250468      3.260150      3.344466
  N      -1.541169      3.712219      4.828424
  N      -1.183411      4.069765      3.735373
  H      -0.437165      4.809366      3.729643
95
Coordinates from ORCA-job orca E -6715.160695265185
  N      -1.481238      1.138244      5.212682
  Mo     -2.784202      2.510663      5.924975
  N      -4.097118      1.191671      6.676303
  C      -3.730974      0.438063      7.870866
  C      -2.214591      0.350613      7.950513
  N      -1.611328      1.692859      7.655007
  C      -0.200580      1.557143      7.198276
  C      -0.195256      0.891652      5.817594
  C      -1.701023      2.573847      8.860073
  C      -1.868098      4.003031      8.390079
  N      -2.836336      3.948607      7.318751
  H       0.631303      1.307781      5.210922
  H      -0.005387     -0.193980      5.903149
  H       0.220370      2.569211      7.147143
  H       0.377250      0.979194      7.938422
  H      -2.229343      4.631246      9.221233
  H      -0.907079      4.439539      8.051314
  H      -2.599327      2.279749      9.417418
  H      -0.818786      2.416356      9.499899
  H      -4.144135     -0.587584      7.838728
  H      -4.148565      0.917494      8.775317
  H      -1.837263     -0.354713      7.202696
  H      -1.876597      0.011783      8.943380
  C      -4.704962     -2.243068     -2.341220
  C      -5.149395     -0.999448     -1.622714
  O      -6.024539     -0.282551     -2.096093
  C      -4.529573     -0.605164     -0.293793
  C      -5.055686      0.543099      0.299311
  C      -4.599377      1.034367      1.521941
  O      -5.184227      2.145789      2.014574
  C      -3.542950      0.344648      2.191421
  C      -3.042044      0.827935      3.445895
  O      -3.550046      1.866373      4.000036
  C      -1.970749      0.178661      4.261070
  C      -3.008385     -0.817877      1.588974
  C      -3.481911     -1.297872      0.377013
  O      -2.959608     -2.424271     -0.191908
  C      -9.657619      9.105114      5.060185
  C      -9.079696      8.001844      4.227796
  O      -9.620608      7.695998      3.143172
  C      -7.903904      7.248450      4.692363
  C      -7.229548      7.578839      5.879005
  C      -6.142150      6.843977      6.330775
  O      -5.478292      7.168315      7.478567
  C      -5.696987      5.712884      5.588254
  C      -4.612259      4.858972      6.027111
  O      -4.317673      3.826602      5.342067
  C      -3.756547      5.053271      7.229524
  C      -6.365286      5.384103      4.393463
  C      -7.448811      6.126065      3.931513
  O      -8.059959      5.751728      2.796116
  C     -11.721402      4.646461      3.898307
  C     -10.885294      5.071107      5.083010
  O     -11.148779      6.117599      5.667989
  C      -9.732517      4.227509      5.558483
  C      -9.193413      4.600889      6.794602
  C      -8.104207      3.946004      7.362411
  O      -7.628309      4.380963      8.546083
  C      -7.501339      2.863169      6.653903
  C      -6.279186      2.257763      7.187626
  O      -5.819525      2.619702      8.291410
  C      -5.506683      1.217501      6.371311
  C      -8.048099      2.482030      5.417572
  C      -9.143013      3.136257      4.859804
  O      -9.539917      2.665684      3.643562
  H      -3.633481     -2.188356     -2.581779
  H      -5.294935     -2.349656     -3.257524
  H      -4.826493     -3.128267     -1.700797
  H      -5.857961      1.067274     -0.220865
  H      -4.734482      2.360730      2.872548
  H      -2.519536     -0.639050      4.794410
  H      -1.178113     -0.304731      3.669293
  H      -2.205302     -1.361390      2.092121
  H      -2.257170     -2.774413      0.385610
  H     -10.104141      8.668808      5.967678
  H      -8.895279      9.831546      5.374033
  H     -10.440938      9.612359      4.487723
  H      -7.569886      8.429627      6.472129
  H      -5.932675      7.917382      7.906706
  H      -3.240204      6.033506      7.146955
  H      -4.384421      5.141152      8.136858
  H      -6.040109      4.519195      3.818454
  H      -8.790980      6.452151      2.665539
  H     -11.167099      4.837368      2.960400
  H     -12.002943      3.583942      3.943026
  H     -12.625594      5.264003      3.862886
  H      -9.643672      5.444429      7.317892
  H      -6.845653      3.774839      8.746116
  H      -5.639058      1.433760      5.303305
  H      -5.986823      0.233333      6.553297
  H      -7.609734      1.670076      4.839142
  H     -10.169369      3.282568      3.230285
  N      -1.503568      3.771796      4.883912
  N      -1.093905      4.130628      3.812389
  H      -0.349331      4.871812      3.844185
95
Coordinates from ORCA-job orca E -6715.161692728778
  N      -1.433840      1.199714      5.197795
  Mo     -2.766650      2.538985      5.929408
  N      -4.066365      1.186995      6.640553
  C      -3.704357      0.419322      7.825662
  C      -2.189836      0.343681      7.917009
  N      -1.598207      1.696426      7.654438
  C      -0.181942      1.586076      7.211003
  C      -0.155722      0.942786      5.820907
  C      -1.704614      2.549716      8.877482
  C      -1.886738      3.985642      8.433659
  N      -2.853283      3.940015      7.359667
  H       0.683268      1.365513      5.235175
  H       0.031978     -0.144804      5.894532
  H       0.226496      2.604244      7.180349
  H       0.397248      1.003005      7.946290
  H      -2.255889      4.594088      9.276471
  H      -0.929981      4.438597      8.103374
  H      -2.601326      2.235922      9.426327
  H      -0.823304      2.390888      9.518273
  H      -4.107886     -0.609728      7.774302
  H      -4.132733      0.881163      8.734728
  H      -1.802770     -0.343824      7.157059
  H      -1.857801     -0.013467      8.905321
  C      -4.873520     -2.333523     -2.220255
  C      -5.315237     -1.091934     -1.495413
  O      -6.241517     -0.412568     -1.926280
  C      -4.631675     -0.655694     -0.214856
  C      -5.160666      0.485384      0.390924
  C      -4.648528      1.014614      1.574457
  O      -5.241731      2.114198      2.084234
  C      -3.533331      0.372631      2.195559
  C      -2.987496      0.887206      3.418889
  O      -3.488132      1.930782      3.968951
  C      -1.884879      0.260765      4.209670
  C      -2.995546     -0.782694      1.580035
  C      -3.521841     -1.299458      0.404047
  O      -2.990600     -2.416236     -0.175142
  C      -9.674169      9.120545      5.118954
  C      -9.074677      8.038143      4.272406
  O      -9.592516      7.756244      3.170503
  C      -7.904512      7.278103      4.742981
  C      -7.250296      7.583722      5.948109
  C      -6.165974      6.842387      6.400698
  O      -5.522188      7.145673      7.565319
  C      -5.704613      5.730201      5.638928
  C      -4.618964      4.869347      6.069774
  O      -4.308981      3.856792      5.364432
  C      -3.778758      5.040898      7.286196
  C      -6.353779      5.427121      4.428000
  C      -7.432530      6.175601      3.965377
  O      -8.022384      5.826168      2.810446
  C     -11.639342      4.661163      3.747125
  C     -10.836563      5.059259      4.963797
  O     -11.120366      6.091096      5.566818
  C      -9.695026      4.207600      5.449418
  C      -9.188144      4.556887      6.706996
  C      -8.111850      3.893623      7.289300
  O      -7.669342      4.305092      8.494333
  C      -7.486300      2.827676      6.574841
  C      -6.275221      2.217054      7.128866
  O      -5.848299      2.559505      8.252368
  C      -5.473056      1.196301      6.313517
  C      -8.000021      2.470715      5.316707
  C      -9.083791      3.131899      4.744245
  O      -9.448997      2.682204      3.510022
  H      -3.821224     -2.247026     -2.528524
  H      -5.514942     -2.476226     -3.096427
  H      -4.925468     -3.210895     -1.559332
  H      -6.010279      0.973328     -0.088807
  H      -4.744011      2.364206      2.906503
  H      -2.376111     -0.615425      4.706030
  H      -1.071284     -0.147816      3.588703
  H      -2.146575     -1.290849      2.042307
  H      -2.240900     -2.727635      0.364111
  H     -10.131683      8.661889      6.010228
  H      -8.921775      9.845695      5.459808
  H     -10.452113      9.635024      4.545253
  H      -7.603311      8.420158      6.554814
  H      -5.985541      7.884182      8.002256
  H      -3.269596      6.027009      7.230528
  H      -4.419683      5.105986      8.187333
  H      -6.015709      4.576885      3.837918
  H      -8.750741      6.527382      2.678793
  H     -11.059745      4.873058      2.829033
  H     -11.922473      3.597546      3.761463
  H     -12.542816      5.279435      3.701349
  H      -9.653917      5.388551      7.236065
  H      -6.889584      3.699485      8.702349
  H      -5.590743      1.423909      5.245992
  H      -5.943734      0.204379      6.475007
  H      -7.543923      1.672234      4.732378
  H     -10.076492      3.299550      3.093826
  N      -1.493772      3.839796      4.923794
  N      -1.063876      4.201333      3.857870
  H      -0.334000      4.957717      3.905456
95
Coordinates from ORCA-job orca E -6715.162497141689
  N      -1.410425      1.202226      5.202358
  Mo     -2.745335      2.537637      5.940858
  N      -4.054843      1.198142      6.654327
  C      -3.702518      0.442214      7.848796
  C      -2.189807      0.349424      7.939085
  N      -1.585033      1.693431      7.668685
  C      -0.169220      1.566033      7.228872
  C      -0.145524      0.917749      5.843610
  C      -1.681221      2.557357      8.885211
  C      -1.860283      3.990413      8.430670
  N      -2.839731      3.938800      7.369621
  H       0.711187      1.315771      5.265928
  H       0.013634     -0.174311      5.922750
  H       0.251067      2.579234      7.196962
  H       0.400981      0.977914      7.967103
  H      -2.214696      4.608808      9.272549
  H      -0.905248      4.433173      8.082171
  H      -2.574923      2.251088      9.442526
  H      -0.796297      2.401347      9.521515
  H      -4.118486     -0.582448      7.809839
  H      -4.124720      0.919868      8.752692
  H      -1.813351     -0.345426      7.179607
  H      -1.859118     -0.007197      8.927827
  C      -5.001767     -2.291871     -2.159919
  C      -5.439873     -1.064946     -1.408543
  O      -6.398074     -0.403857     -1.796391
  C      -4.712516     -0.620382     -0.158102
  C      -5.236452      0.508825      0.474562
  C      -4.682239      1.045953      1.634440
  O      -5.270354      2.137658      2.168983
  C      -3.532417      0.419900      2.210380
  C      -2.958442      0.925997      3.423409
  O      -3.446045      1.966422      3.989239
  C      -1.843203      0.286388      4.185677
  C      -2.999617     -0.721747      1.566715
  C      -3.564484     -1.243025      0.410665
  O      -3.034771     -2.346494     -0.195182
  C      -9.680793      9.077730      5.105995
  C      -9.057615      8.016542      4.249211
  O      -9.556101      7.746935      3.135585
  C      -7.882524      7.263679      4.724949
  C      -7.250367      7.559545      5.944272
  C      -6.164384      6.824342      6.403468
  O      -5.543684      7.116249      7.583145
  C      -5.680488      5.728170      5.632906
  C      -4.595966      4.868147      6.069708
  O      -4.274231      3.861082      5.359986
  C      -3.770574      5.034356      7.297703
  C      -6.306069      5.436215      4.406908
  C      -7.385244      6.179977      3.937696
  O      -7.951675      5.841191      2.767531
  C     -11.626030      4.607028      3.672295
  C     -10.848123      5.009751      4.902943
  O     -11.158550      6.032024      5.509221
  C      -9.697839      4.176000      5.397653
  C      -9.213672      4.524285      6.664363
  C      -8.135713      3.873054      7.257138
  O      -7.720378      4.281449      8.472831
  C      -7.484951      2.820025      6.544440
  C      -6.276054      2.217461      7.113830
  O      -5.867316      2.559908      8.244355
  C      -5.458618      1.198196      6.312154
  C      -7.975055      2.466180      5.275895
  C      -9.059649      3.116660      4.692476
  O      -9.399821      2.672046      3.448808
  H      -3.965912     -2.179854     -2.512217
  H      -5.676845     -2.442912     -3.008870
  H      -5.006671     -3.174271     -1.503900
  H      -6.113898      0.982700      0.032234
  H      -4.729845      2.406013      2.958753
  H      -2.291438     -0.633406      4.639653
  H      -1.021459     -0.060629      3.535720
  H      -2.123107     -1.217899      1.988551
  H      -2.256932     -2.642997      0.311755
  H     -10.141855      8.600087      5.985342
  H      -8.941224      9.806405      5.466022
  H     -10.458675      9.591650      4.531767
  H      -7.622913      8.382269      6.557856
  H      -6.023911      7.840724      8.024831
  H      -3.267258      6.024219      7.254689
  H      -4.422186      5.088202      8.191998
  H      -5.949843      4.598458      3.809834
  H      -8.685820      6.534716      2.634399
  H     -11.036987      4.835897      2.764728
  H     -11.890288      3.538574      3.674817
  H     -12.539679      5.209445      3.618704
  H      -9.700343      5.343661      7.193472
  H      -6.938137      3.681228      8.690640
  H      -5.566941      1.417317      5.241984
  H      -5.923569      0.204300      6.475924
  H      -7.499766      1.679616      4.690876
  H     -10.028141      3.284442      3.026547
  N      -1.439975      3.837765      4.962399
  N      -0.963837      4.191090      3.914177
  H      -0.242524      4.953208      3.981516
95
Coordinates from ORCA-job orca E -6715.163040667107
  N      -1.403201      1.223586      5.188929
  Mo     -2.745379      2.550101      5.943954
  N      -4.054231      1.204040      6.645907
  C      -3.702229      0.447696      7.839478
  C      -2.189915      0.349537      7.925725
  N      -1.582726      1.694198      7.663684
  C      -0.167916      1.570415      7.219448
  C      -0.146651      0.921379      5.836906
  C      -1.674694      2.551985      8.885483
  C      -1.860928      3.986403      8.438613
  N      -2.849977      3.937022      7.386878
  H       0.720656      1.301791      5.263291
  H      -0.006973     -0.173537      5.918854
  H       0.248741      2.585066      7.186297
  H       0.406740      0.984862      7.956353
  H      -2.206949      4.601585      9.286125
  H      -0.909891      4.430927      8.081446
  H      -2.563315      2.239828      9.447771
  H      -0.785257      2.395519      9.515434
  H      -4.122917     -0.575069      7.801513
  H      -4.120514      0.927044      8.744341
  H      -1.817503     -0.339984      7.159531
  H      -1.857169     -0.015166      8.910952
  C      -5.016300     -2.354822     -2.115578
  C      -5.499092     -1.158760     -1.343006
  O      -6.509074     -0.555679     -1.691913
  C      -4.753842     -0.675243     -0.117481
  C      -5.319475      0.418974      0.540143
  C      -4.753799      0.985158      1.680739
  O      -5.385726      2.037435      2.243994
  C      -3.550946      0.422156      2.212065
  C      -2.966060      0.944381      3.412015
  O      -3.470443      1.972521      3.984489
  C      -1.810316      0.334011      4.138753
  C      -2.976295     -0.683640      1.542810
  C      -3.550671     -1.230820      0.404125
  O      -2.977918     -2.296113     -0.230455
  C      -9.673200      9.099679      5.148654
  C      -9.042786      8.055008      4.277096
  O      -9.527632      7.811200      3.151992
  C      -7.874345      7.290139      4.751749
  C      -7.255639      7.565191      5.982658
  C      -6.174224      6.822410      6.440193
  O      -5.564813      7.094398      7.630157
  C      -5.683850      5.739682      5.655891
  C      -4.601570      4.874447      6.089037
  O      -4.276652      3.875078      5.369781
  C      -3.783332      5.029116      7.322402
  C      -6.296968      5.467379      4.419276
  C      -7.370375      6.220168      3.950850
  O      -7.923930      5.902522      2.768543
  C     -11.592686      4.625962      3.610404
  C     -10.831283      5.014324      4.855374
  O     -11.155161      6.024799      5.473794
  C      -9.684049      4.177566      5.353586
  C      -9.217723      4.511033      6.630584
  C      -8.145069      3.855445      7.228468
  O      -7.743839      4.250582      8.452917
  C      -7.483909      2.813006      6.510668
  C      -6.284846      2.202474      7.091022
  O      -5.893519      2.532738      8.231360
  C      -5.453915      1.193521      6.292214
  C      -7.955301      2.474908      5.230885
  C      -9.033937      3.130217      4.642323
  O      -9.356624      2.701948      3.388368
  H      -4.003307     -2.179499     -2.505828
  H      -5.712786     -2.544037     -2.939156
  H      -4.942230     -3.237533     -1.464394
  H      -6.239391      0.840676      0.133355
  H      -4.832278      2.336509      3.013151
  H      -2.187900     -0.633323      4.552569
  H      -0.980314      0.070511      3.458208
  H      -2.055605     -1.127826      1.927067
  H      -2.164862     -2.546415      0.245039
  H     -10.139384      8.606257      6.016269
  H      -8.936630      9.821794      5.527211
  H     -10.447701      9.623706      4.579293
  H      -7.633707      8.377529      6.606134
  H      -6.050165      7.810629      8.079400
  H      -3.284796      6.022055      7.294471
  H      -4.441528      5.071042      8.212591
  H      -5.934378      4.640029      3.811961
  H      -8.654565      6.600026      2.638053
  H     -10.993145      4.866689      2.712917
  H     -11.854224      3.557093      3.595726
  H     -12.506716      5.227239      3.552895
  H      -9.713463      5.322123      7.163741
  H      -6.958735      3.652829      8.669328
  H      -5.556462      1.411663      5.221279
  H      -5.910791      0.194968      6.451103
  H      -7.470628      1.697458      4.641681
  H      -9.984489      3.315971      2.968258
  N      -1.439503      3.858789      4.982886
  N      -0.943417      4.206158      3.943379
  H      -0.239202      4.981479      4.014703
95
Coordinates from ORCA-job orca E -6715.163543884719
  N      -1.405472      1.213370      5.195644
  Mo     -2.743424      2.546880      5.953480
  N      -4.050703      1.214728      6.677228
  C      -3.697573      0.477341      7.882446
  C      -2.185549      0.362457      7.954677
  N      -1.569048      1.699069      7.671626
  C      -0.159032      1.558841      7.216113
  C      -0.156987      0.887829      5.846029
  C      -1.639804      2.570600      8.885872
  C      -1.831044      3.999620      8.423908
  N      -2.841907      3.936627      7.393836
  H       0.720249      1.232712      5.265110
  H      -0.048995     -0.209709      5.946077
  H       0.264395      2.569869      7.163320
  H       0.419007      0.979696      7.955395
  H      -2.156622      4.627721      9.269859
  H      -0.886371      4.434655      8.039186
  H      -2.519871      2.266026      9.465342
  H      -0.740438      2.420298      9.502906
  H      -4.132519     -0.540003      7.868750
  H      -4.100737      0.979623      8.781766
  H      -1.830517     -0.338203      7.190574
  H      -1.845203      0.004992      8.939983
  C      -5.072788     -2.326518     -2.100931
  C      -5.553700     -1.139096     -1.313833
  O      -6.575300     -0.544141     -1.642005
  C      -4.793497     -0.655514     -0.097005
  C      -5.356472      0.431774      0.573960
  C      -4.777546      0.997853      1.708177
  O      -5.405069      2.046657      2.281609
  C      -3.566239      0.437326      2.222196
  C      -2.969591      0.950985      3.420703
  O      -3.471537      1.970580      4.006602
  C      -1.797730      0.345183      4.122145
  C      -2.993359     -0.660315      1.538289
  C      -3.578232     -1.204685      0.403667
  O      -3.004486     -2.259203     -0.247163
  C      -9.677613      9.090866      5.167397
  C      -9.042045      8.051675      4.292757
  O      -9.522296      7.811136      3.165472
  C      -7.875359      7.285958      4.770000
  C      -7.260686      7.557807      6.003809
  C      -6.178375      6.816035      6.461281
  O      -5.571267      7.087106      7.652710
  C      -5.683784      5.736842      5.674440
  C      -4.600747      4.872382      6.105733
  O      -4.274123      3.875631      5.382934
  C      -3.781235      5.024810      7.338558
  C      -6.294071      5.467393      4.435484
  C      -7.367426      6.220082      3.967307
  O      -7.916191      5.906711      2.781075
  C     -11.557552      4.590311      3.526116
  C     -10.816375      4.985477      4.781256
  O     -11.154415      5.996219      5.391884
  C      -9.671526      4.156687      5.297637
  C      -9.221964      4.500145      6.577989
  C      -8.155587      3.851935      7.194399
  O      -7.771339      4.256016      8.421254
  C      -7.482262      2.806802      6.492153
  C      -6.290733      2.203878      7.094011
  O      -5.915092      2.546584      8.236039
  C      -5.449599      1.186325      6.318364
  C      -7.936146      2.458325      5.209017
  C      -9.009395      3.106117      4.602156
  O      -9.314203      2.666055      3.347786
  H      -4.068312     -2.139485     -2.507182
  H      -5.781433     -2.517225     -2.913841
  H      -4.980340     -3.212209     -1.456141
  H      -6.284872      0.849091      0.182191
  H      -4.841489      2.349187      3.040500
  H      -2.124057     -0.652902      4.498371
  H      -0.966634      0.146836      3.417887
  H      -2.062632     -1.098413      1.905324
  H      -2.182358     -2.505657      0.214730
  H     -10.140399      8.593003      6.034148
  H      -8.943043      9.815352      5.545935
  H     -10.454985      9.612885      4.600174
  H      -7.642114      8.367104      6.629144
  H      -6.061520      7.799077      8.103579
  H      -3.287690      6.020056      7.317421
  H      -4.439216      5.055996      8.229100
  H      -5.928124      4.643475      3.825490
  H      -8.647286      6.602902      2.650339
  H     -10.945790      4.832175      2.637277
  H     -11.813994      3.520171      3.510526
  H     -12.473707      5.186804      3.454626
  H      -9.727222      5.312914      7.099652
  H      -6.985564      3.663134      8.649812
  H      -5.551871      1.380307      5.243454
  H      -5.897694      0.187468      6.498907
  H      -7.441979      1.679009      4.630115
  H      -9.941806      3.271192      2.915029
  N      -1.430586      3.846284      4.981888
  N      -0.912583      4.180241      3.949154
  H      -0.221214      4.968306      4.018996
95
Coordinates from ORCA-job orca E -6715.163893978975
  N      -1.412071      1.193633      5.204809
  Mo     -2.748798      2.539284      5.954215
  N      -4.056737      1.219449      6.696749
  C      -3.701522      0.499987      7.912201
  C      -2.190795      0.372874      7.976845
  N      -1.567294      1.703496      7.676600
  C      -0.160583      1.552000      7.214302
  C      -0.172213      0.852571      5.861080
  C      -1.624471      2.587694      8.883256
  C      -1.821861      4.011139      8.406713
  N      -2.845957      3.935176      7.390539
  H       0.714034      1.161930      5.273577
  H      -0.091202     -0.245590      5.986149
  H       0.261962      2.561787      7.135722
  H       0.423942      0.988737      7.960755
  H      -2.134834      4.650539      9.248866
  H      -0.881796      4.439561      8.003436
  H      -2.498056      2.288867      9.475375
  H      -0.718036      2.443726      9.491175
  H      -4.148075     -0.512261      7.921512
  H      -4.092156      1.023791      8.804661
  H      -1.846854     -0.337695      7.217504
  H      -1.847282      0.023937      8.964087
  C      -5.072249     -2.320660     -2.114164
  C      -5.548909     -1.131782     -1.326875
  O      -6.566995     -0.531517     -1.655308
  C      -4.785662     -0.649689     -0.109335
  C      -5.343980      0.440463      0.559640
  C      -4.764289      1.004063      1.695334
  O      -5.382358      2.060468      2.263066
  C      -3.559554      0.434930      2.212628
  C      -2.963459      0.942109      3.414380
  O      -3.474720      1.948942      4.012746
  C      -1.778408      0.349809      4.102387
  C      -2.989328     -0.664751      1.528976
  C      -3.572921     -1.204944      0.391961
  O      -3.002792     -2.260067     -0.260251
  C      -9.672534      9.099015      5.164030
  C      -9.037105      8.059890      4.287995
  O      -9.509858      7.829262      3.155676
  C      -7.873977      7.290519      4.765936
  C      -7.265670      7.553327      6.004881
  C      -6.186074      6.807801      6.462184
  O      -5.585994      7.069240      7.659503
  C      -5.687311      5.733775      5.670995
  C      -4.606710      4.867870      6.103556
  O      -4.282482      3.868638      5.382777
  C      -3.788224      5.020627      7.336228
  C      -6.291133      5.473623      4.426651
  C      -7.361332      6.230667      3.958506
  O      -7.903677      5.926876      2.766562
  C     -11.558500      4.580821      3.528351
  C     -10.824664      4.976606      4.787928
  O     -11.169935      5.984772      5.398373
  C      -9.678687      4.151677      5.307729
  C      -9.238138      4.491718      6.592045
  C      -8.172189      3.846391      7.212559
  O      -7.799480      4.246505      8.443822
  C      -7.489321      2.807024      6.509367
  C      -6.300426      2.203077      7.115424
  O      -5.928272      2.544347      8.259403
  C      -5.457703      1.182401      6.345385
  C      -7.934721      2.462190      5.222119
  C      -9.007718      3.107372      4.612052
  O      -9.302015      2.672486      3.353486
  H      -4.067118     -2.137042     -2.520434
  H      -5.781743     -2.508642     -2.927010
  H      -4.982798     -3.206744     -1.469521
  H      -6.269254      0.862633      0.165520
  H      -4.819912      2.361910      3.022023
  H      -2.054455     -0.674967      4.440621
  H      -0.942158      0.216970      3.386476
  H      -2.060805     -1.105533      1.898430
  H      -2.182037     -2.511525      0.201538
  H     -10.131020      8.603388      6.034233
  H      -8.936903      9.825145      5.537768
  H     -10.452458      9.619533      4.598962
  H      -7.650563      8.357493      6.634691
  H      -6.080768      7.776197      8.113525
  H      -3.297706      6.017016      7.320701
  H      -4.449065      5.046510      8.225127
  H      -5.921894      4.654275      3.812535
  H      -8.631879      6.625516      2.635976
  H     -10.941565      4.822616      2.643044
  H     -11.814721      3.510550      3.511344
  H     -12.474589      5.176783      3.451889
  H      -9.751327      5.299050      7.114488
  H      -7.011908      3.656186      8.675438
  H      -5.568311      1.360687      5.269207
  H      -5.898595      0.183664      6.544096
  H      -7.433779      1.688372      4.641729
  H      -9.935325      3.272721      2.922103
  N      -1.442144      3.822841      4.961644
  N      -0.917377      4.138954      3.925914
  H      -0.243328      4.943228      3.980265
95
Coordinates from ORCA-job orca E -6715.164172998982
  N      -1.432421      1.153294      5.225440
  Mo     -2.753054      2.517683      5.971164
  N      -4.064343      1.226782      6.755730
  C      -3.703454      0.544803      7.990842
  C      -2.194345      0.393940      8.037500
  N      -1.555001      1.708234      7.694601
  C      -0.156999      1.526708      7.214118
  C      -0.198484      0.793840      5.881653
  C      -1.580911      2.622128      8.881210
  C      -1.782468      4.034958      8.374479
  N      -2.830998      3.938422      7.385888
  H       0.691234      1.061622      5.278898
  H      -0.146909     -0.303348      6.034892
  H       0.273540      2.529803      7.100117
  H       0.433992      0.978571      7.966644
  H      -2.069939      4.698245      9.207152
  H      -0.849761      4.445996      7.937265
  H      -2.443282      2.341266      9.497749
  H      -0.662177      2.486425      9.471968
  H      -4.168072     -0.457762      8.043626
  H      -4.070565      1.107700      8.869370
  H      -1.873201     -0.340249      7.291179
  H      -1.842069      0.065243      9.028504
  C      -5.075353     -2.225864     -2.169874
  C      -5.548642     -1.047990     -1.364515
  O      -6.560715     -0.435197     -1.686993
  C      -4.789471     -0.592397     -0.132058
  C      -5.345718      0.489013      0.551150
  C      -4.774297      1.024840      1.704852
  O      -5.393658      2.070371      2.290243
  C      -3.578497      0.437731      2.220110
  C      -2.983316      0.924578      3.431392
  O      -3.495140      1.921016      4.046909
  C      -1.785303      0.335608      4.098766
  C      -3.010401     -0.654737      1.522812
  C      -3.586666     -1.168670      0.370391
  O      -3.021633     -2.217567     -0.295374
  C      -9.663370      9.085486      5.134552
  C      -9.034323      8.033897      4.268775
  O      -9.512232      7.791426      3.140659
  C      -7.874133      7.265893      4.751897
  C      -7.259590      7.541189      5.985084
  C      -6.180555      6.798089      6.446153
  O      -5.575217      7.072788      7.638414
  C      -5.686028      5.713244      5.665949
  C      -4.605282      4.852211      6.103905
  O      -4.285852      3.843400      5.392259
  C      -3.779731      5.018115      7.330339
  C      -6.296761      5.440436      4.427009
  C      -7.367770      6.194096      3.955880
  O      -7.919462      5.876130      2.772038
  C     -11.556115      4.533424      3.508464
  C     -10.824023      4.952175      4.761894
  O     -11.172456      5.969002      5.355430
  C      -9.678590      4.136581      5.297761
  C      -9.239105      4.499426      6.576078
  C      -8.174176      3.864745      7.209242
  O      -7.799964      4.286806      8.432528
  C      -7.492125      2.811612      6.526285
  C      -6.308313      2.215947      7.149041
  O      -5.943451      2.577005      8.289542
  C      -5.465174      1.174234      6.407760
  C      -7.935850      2.444367      5.244567
  C      -9.007254      3.079772      4.621619
  O      -9.300156      2.622773      3.370567
  H      -4.066008     -2.042538     -2.565798
  H      -5.780562     -2.394300     -2.990638
  H      -4.996460     -3.123766     -1.540484
  H      -6.265258      0.924111      0.157434
  H      -4.850560      2.341029      3.073792
  H      -2.023672     -0.707283      4.405674
  H      -0.952247      0.252395      3.369902
  H      -2.089715     -1.109284      1.895482
  H      -2.208631     -2.487414      0.169750
  H     -10.111061      8.606014      6.019125
  H      -8.924493      9.819266      5.486766
  H     -10.450024      9.595112      4.568957
  H      -7.639281      8.353868      6.607160
  H      -6.070352      7.782844      8.087322
  H      -3.294709      6.016518      7.309417
  H      -4.436559      5.043293      8.222477
  H      -5.933054      4.612619      3.821010
  H      -8.649290      6.573620      2.640014
  H     -10.937932      4.759575      2.619960
  H     -11.811264      3.462744      3.509434
  H     -12.472423      5.127357      3.420180
  H      -9.752242      5.316703      7.083026
  H      -7.011853      3.700765      8.673852
  H      -5.578020      1.316114      5.326449
  H      -5.901516      0.180947      6.641551
  H      -7.435237      1.659971      4.678692
  H      -9.935918      3.213314      2.929371
  N      -1.440793      3.773377      4.956246
  N      -0.900699      4.072985      3.923411
  H      -0.240240      4.889046      3.970134
95
Coordinates from ORCA-job orca E -6715.164324150702
  N      -1.435053      1.152501      5.229166
  Mo     -2.761343      2.514815      5.975761
  N      -4.061347      1.216244      6.768693
  C      -3.691396      0.547136      8.008416
  C      -2.181384      0.399734      8.048160
  N      -1.547299      1.714805      7.696639
  C      -0.152392      1.538299      7.205494
  C      -0.203135      0.789344      5.884131
  C      -1.568268      2.630836      8.881706
  C      -1.785860      4.040709      8.374837
  N      -2.842656      3.934129      7.396324
  H       0.687082      1.040018      5.274488
  H      -0.160494     -0.306713      6.052319
  H       0.265024      2.544399      7.070378
  H       0.452852      1.007981      7.959184
  H      -2.069319      4.704539      9.208429
  H      -0.860021      4.456752      7.927826
  H      -2.422253      2.343928      9.506925
  H      -0.642221      2.502539      9.462383
  H      -4.153914     -0.455261      8.075471
  H      -4.053625      1.119467      8.882921
  H      -1.861808     -0.336054      7.303022
  H      -1.824192      0.076126      9.038923
  C      -5.103002     -2.230164     -2.150948
  C      -5.584754     -1.063342     -1.334823
  O      -6.613825     -0.469394     -1.637424
  C      -4.814389     -0.598702     -0.111893
  C      -5.380812      0.467933      0.585693
  C      -4.802670      1.007613      1.734198
  O      -5.432827      2.038104      2.334729
  C      -3.587093      0.441820      2.225431
  C      -2.981455      0.934743      3.427754
  O      -3.516217      1.906066      4.068679
  C      -1.759901      0.369877      4.071487
  C      -3.009366     -0.636321      1.514304
  C      -3.593329     -1.154931      0.368351
  O      -3.021142     -2.190528     -0.311714
  C      -9.644300      9.119680      5.140978
  C      -9.020620      8.066610      4.274353
  O      -9.492056      7.836273      3.141028
  C      -7.872794      7.282978      4.762260
  C      -7.265179      7.546228      6.000907
  C      -6.195827      6.792016      6.465847
  O      -5.596718      7.055871      7.663822
  C      -5.703823      5.707353      5.684118
  C      -4.625263      4.842908      6.121642
  O      -4.310299      3.833331      5.411299
  C      -3.796591      5.008371      7.345299
  C      -6.308605      5.444535      4.440146
  C      -7.369426      6.209941      3.964515
  O      -7.912175      5.904370      2.773735
  C     -11.506427      4.537082      3.452693
  C     -10.790324      4.945537      4.719017
  O     -11.137154      5.965005      5.308750
  C      -9.657013      4.121829      5.267510
  C      -9.232806      4.478213      6.552562
  C      -8.178038      3.837946      7.196717
  O      -7.819909      4.253516      8.426867
  C      -7.489111      2.786057      6.518172
  C      -6.313685      2.186319      7.153228
  O      -5.961827      2.544197      8.298780
  C      -5.461138      1.146047      6.420471
  C      -7.918728      2.424165      5.230323
  C      -8.981259      3.064062      4.596658
  O      -9.260408      2.610534      3.341439
  H      -4.104188     -2.026347     -2.563114
  H      -5.818253     -2.410957     -2.960168
  H      -4.995783     -3.127356     -1.524847
  H      -6.314227      0.887644      0.208559
  H      -4.886028      2.312043      3.115078
  H      -1.953464     -0.692986      4.340007
  H      -0.927654      0.346846      3.336920
  H      -2.076115     -1.075639      1.873875
  H      -2.195693     -2.447790      0.138154
  H     -10.090497      8.644291      6.028233
  H      -8.901512      9.851447      5.489403
  H     -10.430082      9.631298      4.576076
  H      -7.641996      8.359634      6.623790
  H      -6.089527      7.767251      8.113026
  H      -3.317320      6.009360      7.328951
  H      -4.454062      5.027112      8.237626
  H      -5.945443      4.618486      3.831768
  H      -8.630335      6.614271      2.636974
  H     -10.871467      4.757147      2.574661
  H     -11.774492      3.469627      3.448000
  H     -12.414322      5.141427      3.350074
  H      -9.749733      5.295249      7.055882
  H      -7.038153      3.662546      8.677741
  H      -5.573423      1.275712      5.337061
  H      -5.887985      0.151278      6.665201
  H      -7.413951      1.639504      4.668743
  H      -9.898492      3.197150      2.898566
  N      -1.477099      3.771724      4.941405
  N      -0.947266      4.061277      3.899118
  H      -0.311766      4.897047      3.925839
95
Coordinates from ORCA-job orca E -6715.164406040852
  N      -1.475964      1.107360      5.240774
  Mo     -2.781913      2.493708      5.984287
  N      -4.082429      1.228444      6.827482
  C      -3.698918      0.593110      8.080671
  C      -2.190548      0.423667      8.097939
  N      -1.543740      1.719896      7.702364
  C      -0.160376      1.510883      7.190910
  C      -0.245480      0.731112      5.890842
  C      -1.529546      2.666315      8.863849
  C      -1.749841      4.064721      8.326212
  N      -2.832857      3.940292      7.379807
  H       0.642238      0.944473      5.263258
  H      -0.225284     -0.361668      6.085751
  H       0.265747      2.507906      7.019798
  H       0.451965      0.993068      7.947223
  H      -2.004383      4.753621      9.148694
  H      -0.832844      4.459417      7.842877
  H      -2.369788      2.401218      9.516429
  H      -0.589958      2.545905      9.423912
  H      -4.175273     -0.398896      8.188628
  H      -4.036042      1.199507      8.942420
  H      -1.895622     -0.333639      7.363884
  H      -1.820768      0.117697      9.089580
  C      -5.018721     -2.187161     -2.237864
  C      -5.524592     -1.038675     -1.410278
  O      -6.548508     -0.442282     -1.725423
  C      -4.781237     -0.592379     -0.164508
  C      -5.364688      0.462269      0.537511
  C      -4.810940      0.986349      1.705104
  O      -5.454207      2.009844      2.304280
  C      -3.602598      0.418116      2.211281
  C      -3.017527      0.899926      3.429404
  O      -3.562415      1.863689      4.074202
  C      -1.780699      0.355663      4.058467
  C      -3.007850     -0.647675      1.495847
  C      -3.568663     -1.152381      0.332074
  O      -2.981255     -2.178558     -0.349525
  C      -9.629703      9.133855      5.123444
  C      -9.018354      8.066150      4.266215
  O      -9.492913      7.830331      3.135096
  C      -7.874617      7.278666      4.756837
  C      -7.263047      7.544478      5.992865
  C      -6.196779      6.786817      6.459119
  O      -5.594817      7.051903      7.655555
  C      -5.711189      5.696345      5.681188
  C      -4.633799      4.831140      6.119967
  O      -4.328688      3.811317      5.419665
  C      -3.793989      5.007894      7.334470
  C      -6.319406      5.431335      4.439487
  C      -7.377555      6.199717      3.962579
  O      -7.922985      5.893662      2.773370
  C     -11.516649      4.525156      3.478020
  C     -10.802075      4.945542      4.741373
  O     -11.148506      5.971313      5.320274
  C      -9.672303      4.125020      5.301244
  C      -9.249850      4.493907      6.583438
  C      -8.196690      3.859268      7.235765
  O      -7.842061      4.287452      8.462509
  C      -7.507413      2.799028      6.569633
  C      -6.334795      2.201728      7.212729
  O      -5.978961      2.573306      8.352873
  C      -5.486005      1.148486      6.493494
  C      -7.936411      2.424303      5.285176
  C      -8.996851      3.058969      4.642791
  O      -9.274861      2.592219      3.392151
  H      -4.011062     -1.971391     -2.621587
  H      -5.713319     -2.355064     -3.067601
  H      -4.922704     -3.095945     -1.626791
  H      -6.290486      0.886737      0.147188
  H      -4.922930      2.273040      3.100144
  H      -1.941086     -0.719319      4.296793
  H      -0.950153      0.376428      3.321153
  H      -2.082728     -1.091458      1.870249
  H      -2.165247     -2.440967      0.114286
  H     -10.065623      8.677187      6.025438
  H      -8.880518      9.869870      5.449092
  H     -10.420524      9.637894      4.558718
  H      -7.634367      8.363083      6.612411
  H      -6.085095      7.764886      8.104810
  H      -3.321200      6.011462      7.310871
  H      -4.445061      5.025215      8.232003
  H      -5.960057      4.602431      3.832734
  H      -8.637595      6.607516      2.634973
  H     -10.879677      4.734874      2.598937
  H     -11.786915      3.458195      3.484345
  H     -12.423394      5.129832      3.367222
  H      -9.766673      5.316628      7.077494
  H      -7.064659      3.695691      8.724326
  H      -5.606538      1.253073      5.407973
  H      -5.908794      0.159536      6.765732
  H      -7.432321      1.632195      4.733270
  H      -9.915466      3.172210      2.944116
  N      -1.498551      3.720056      4.918043
  N      -0.956371      3.993767      3.877582
  H      -0.329724      4.836484      3.897742
95
Coordinates from ORCA-job orca E -6715.164506673632
  N      -1.477454      1.086145      5.256917
  Mo     -2.781465      2.481554      5.987637
  N      -4.083013      1.223888      6.842649
  C      -3.697473      0.595540      8.098547
  C      -2.189112      0.427409      8.116386
  N      -1.541910      1.720126      7.711886
  C      -0.158917      1.506824      7.201704
  C      -0.243889      0.718041      5.906343
  C      -1.527185      2.675534      8.865850
  C      -1.744918      4.070055      8.317683
  N      -2.827091      3.940737      7.371151
  H       0.641802      0.931136      5.275911
  H      -0.219641     -0.373356      6.107559
  H       0.266949      2.502572      7.022673
  H       0.453150      0.994316      7.961852
  H      -1.999324      4.765105      9.135105
  H      -0.826736      4.459760      7.832415
  H      -2.367844      2.416314      9.520355
  H      -0.587542      2.558562      9.426794
  H      -4.171797     -0.397043      8.211410
  H      -4.035800      1.205052      8.957648
  H      -1.893702     -0.334644      7.387277
  H      -1.819146      0.128091      9.110018
  C      -5.021004     -2.121762     -2.260997
  C      -5.524082     -0.982813     -1.418667
  O      -6.543326     -0.376105     -1.729673
  C      -4.783069     -0.557572     -0.164653
  C      -5.363547      0.490999      0.549152
  C      -4.809478      0.998810      1.723871
  O      -5.450181      2.016400      2.335239
  C      -3.603333      0.420077      2.225238
  C      -3.015473      0.890041      3.445846
  O      -3.556233      1.851059      4.098276
  C      -1.784149      0.333998      4.075576
  C      -3.012632     -0.640624      1.498618
  C      -3.574160     -1.129156      0.328215
  O      -2.989640     -2.150199     -0.363986
  C      -9.620710      9.126402      5.085555
  C      -9.013514      8.048873      4.237333
  O      -9.488295      7.805074      3.108008
  C      -7.869716      7.263623      4.732658
  C      -7.256703      7.537515      5.966253
  C      -6.190381      6.781965      6.436334
  O      -5.587738      7.052537      7.631027
  C      -5.706850      5.686787      5.664077
  C      -4.630434      4.822213      6.108055
  O      -4.329642      3.795006      5.416869
  C      -3.788970      5.007355      7.320150
  C      -6.316362      5.413837      4.424998
  C      -7.375221      6.179403      3.944561
  O      -7.924282      5.865301      2.758981
  C     -11.526708      4.506644      3.495951
  C     -10.804830      4.937245      4.751355
  O     -11.150407      5.965654      5.326182
  C      -9.674990      4.118441      5.313696
  C      -9.248871      4.493176      6.593185
  C      -8.193681      3.861158      7.245151
  O      -7.832843      4.297095      8.467589
  C      -7.507741      2.796954      6.582387
  C      -6.335841      2.199585      7.227026
  O      -5.982651      2.570815      8.368038
  C      -5.487318      1.144157      6.510098
  C      -7.940106      2.416960      5.300586
  C      -9.001912      3.049295      4.658059
  O      -9.283348      2.577685      3.409823
  H      -4.010390     -1.906215     -2.637130
  H      -5.712929     -2.273262     -3.096209
  H      -4.932999     -3.040141     -1.663073
  H      -6.286578      0.924489      0.162112
  H      -4.918169      2.266141      3.135608
  H      -1.959760     -0.738883      4.315583
  H      -0.950917      0.343101      3.341796
  H      -2.090244     -1.093199      1.869019
  H      -2.175971     -2.421437      0.099067
  H     -10.051441      8.681281      5.995826
  H      -8.869499      9.866176      5.398066
  H     -10.414311      9.624051      4.518935
  H      -7.626839      8.360620      6.580642
  H      -6.076324      7.768958      8.076723
  H      -3.316970      6.011214      7.289568
  H      -4.439987      5.030299      8.217815
  H      -5.958374      4.580421      3.823321
  H      -8.640127      6.577563      2.618228
  H     -10.893785      4.707222      2.611821
  H     -11.798953      3.440186      3.513793
  H     -12.433187      5.111675      3.384179
  H      -9.763045      5.319207      7.084499
  H      -7.051808      3.709681      8.727331
  H      -5.607494      1.246258      5.424361
  H      -5.910593      0.156313      6.785206
  H      -7.438474      1.620925      4.751836
  H      -9.926649      3.155059      2.961873
  N      -1.507166      3.694882      4.902686
  N      -0.974887      3.961056      3.854982
  H      -0.355333      4.809047      3.860882
95
Coordinates from ORCA-job orca E -6715.164552436288
  N      -1.481081      1.080835      5.260991
  Mo     -2.784612      2.477338      5.992059
  N      -4.085174      1.223592      6.855167
  C      -3.696748      0.597819      8.110749
  C      -2.188689      0.429370      8.124474
  N      -1.541185      1.719972      7.715595
  C      -0.159292      1.504362      7.204195
  C      -0.245347      0.715422      5.908710
  C      -1.523950      2.679119      8.866353
  C      -1.740194      4.072194      8.313656
  N      -2.824900      3.942012      7.370241
  H       0.638767      0.931567      5.277378
  H      -0.218277     -0.376018      6.108616
  H       0.268328      2.499220      7.024485
  H       0.452164      0.990906      7.964264
  H      -1.990951      4.770380      9.129511
  H      -0.822383      4.457897      7.824517
  H      -2.363911      2.423264      9.523227
  H      -0.583591      2.563225      9.426518
  H      -4.169419     -0.395586      8.225481
  H      -4.034422      1.206457      8.970757
  H      -1.896076     -0.334481      7.396152
  H      -1.816195      0.131584      9.117689
  C      -5.025698     -2.108190     -2.265149
  C      -5.535169     -0.979196     -1.413277
  O      -6.564786     -0.383999     -1.712752
  C      -4.792118     -0.554852     -0.161072
  C      -5.379033      0.483295      0.563134
  C      -4.821842      0.990940      1.736299
  O      -5.468963      1.998133      2.358546
  C      -3.606480      0.421952      2.227059
  C      -3.016244      0.892113      3.445805
  O      -3.564851      1.843471      4.104591
  C      -1.780774      0.339327      4.070842
  C      -3.009837     -0.628706      1.490587
  C      -3.574135     -1.116234      0.321013
  O      -2.982750     -2.127196     -0.380368
  C      -9.613731      9.128085      5.076834
  C      -9.007885      8.049071      4.229350
  O      -9.484899      7.803671      3.101377
  C      -7.867402      7.260504      4.727968
  C      -7.255274      7.536675      5.961686
  C      -6.190673      6.780593      6.435039
  O      -5.589447      7.053017      7.629761
  C      -5.708368      5.683179      5.665242
  C      -4.632885      4.817843      6.110946
  O      -4.334564      3.787982      5.422608
  C      -3.789118      5.006327      7.321083
  C      -6.318210      5.406811      4.427333
  C      -7.376056      6.172107      3.944072
  O      -7.927213      5.852727      2.760923
  C     -11.514969      4.505782      3.485348
  C     -10.799705      4.934689      4.744867
  O     -11.143440      5.966354      5.315159
  C      -9.670541      4.116827      5.309944
  C      -9.247990      4.491811      6.590641
  C      -8.195147      3.859181      7.245857
  O      -7.838208      4.293738      8.470093
  C      -7.507692      2.795323      6.585181
  C      -6.337552      2.198953      7.233606
  O      -5.989210      2.570040      8.376020
  C      -5.488429      1.141268      6.521246
  C      -7.935787      2.415569      5.301872
  C      -8.995244      3.048189      4.655908
  O      -9.271412      2.577978      3.405944
  H      -4.019943     -1.880015     -2.646774
  H      -5.721562     -2.262208     -3.096634
  H      -4.924202     -3.028967     -1.673061
  H      -6.309110      0.909285      0.184785
  H      -4.930929      2.251958      3.153064
  H      -1.950519     -0.737733      4.297350
  H      -0.946040      0.361772      3.339170
  H      -2.079843     -1.073675      1.851062
  H      -2.163457     -2.391955      0.076561
  H     -10.040362      8.685736      5.990250
  H      -8.861757      9.869343      5.384142
  H     -10.409756      9.623629      4.511796
  H      -7.624382      8.362386      6.573144
  H      -6.077108      7.771619      8.072990
  H      -3.320137      6.011563      7.288846
  H      -4.439000      5.028504      8.219655
  H      -5.961784      4.570421      3.828652
  H      -8.643821      6.563786      2.618504
  H     -10.875900      4.703612      2.605017
  H     -11.790601      3.440168      3.502562
  H     -12.418892      5.113468      3.367509
  H      -9.763707      5.317573      7.080776
  H      -7.059885      3.704493      8.732750
  H      -5.606621      1.240368      5.435348
  H      -5.911785      0.153791      6.798106
  H      -7.431822      1.620028      4.754594
  H      -9.913282      3.155344      2.955911
  N      -1.515099      3.687354      4.900395
  N      -0.986309      3.951613      3.850358
  H      -0.367147      4.799452      3.852376
95
Coordinates from ORCA-job orca E -6715.164586282285
  N      -1.491841      1.067867      5.267717
  Mo     -2.792215      2.469556      5.996902
  N      -4.091862      1.226263      6.876846
  C      -3.698969      0.605276      8.132849
  C      -2.191355      0.432947      8.138576
  N      -1.541955      1.718745      7.719791
  C      -0.162551      1.496263      7.205528
  C      -0.253610      0.704333      5.912047
  C      -1.517779      2.685161      8.864244
  C      -1.730367      4.075263      8.302515
  N      -2.820921      3.943243      7.366108
  H       0.627950      0.920840      5.277410
  H      -0.225394     -0.386824      6.112953
  H       0.269503      2.488497      7.022096
  H       0.447902      0.981562      7.965587
  H      -1.972818      4.780406      9.114805
  H      -0.813492      4.451935      7.804868
  H      -2.356298      2.436746      9.525926
  H      -0.575781      2.570346      9.422033
  H      -4.171628     -0.387697      8.253206
  H      -4.032789      1.215451      8.993265
  H      -1.905979     -0.335200      7.411941
  H      -1.813932      0.138272      9.130942
  C      -5.010059     -2.085321     -2.285966
  C      -5.534982     -0.974956     -1.418861
  O      -6.573968     -0.391493     -1.709758
  C      -4.794255     -0.552826     -0.165632
  C      -5.392374      0.470187      0.571433
  C      -4.837240      0.974945      1.746506
  O      -5.496385      1.966938      2.381232
  C      -3.612052      0.418336      2.227818
  C      -3.022125      0.887233      3.447072
  O      -3.579864      1.827179      4.113472
  C      -1.779406      0.342894      4.064480
  C      -3.004540     -0.617057      1.478824
  C      -3.566935     -1.101446      0.306907
  O      -2.964019     -2.098019     -0.405466
  C      -9.601442      9.137011      5.068124
  C      -8.999544      8.053974      4.222917
  O      -9.474608      7.810957      3.093809
  C      -7.861708      7.262648      4.724313
  C      -7.251696      7.538672      5.959200
  C      -6.189986      6.780341      6.435890
  O      -5.590375      7.052623      7.631222
  C      -5.709756      5.680768      5.667804
  C      -4.636721      4.813007      6.115343
  O      -4.342942      3.779400      5.430811
  C      -3.788866      5.004285      7.322472
  C      -6.317608      5.404549      4.429008
  C      -7.371864      6.172702      3.942287
  O      -7.919881      5.855118      2.757309
  C     -11.518233      4.490492      3.484475
  C     -10.796086      4.931499      4.735853
  O     -11.136345      5.969145      5.297794
  C      -9.669848      4.114579      5.307809
  C      -9.243421      4.501976      6.583497
  C      -8.193247      3.871191      7.244639
  O      -7.833830      4.316969      8.464234
  C      -7.511331      2.797343      6.594901
  C      -6.342786      2.203325      7.248585
  O      -5.992698      2.583771      8.387244
  C      -5.494909      1.139786      6.544194
  C      -7.943325      2.405019      5.316681
  C      -9.001359      3.034577      4.665353
  O      -9.282510      2.549463      3.422255
  H      -4.008543     -1.837437     -2.666501
  H      -5.705121     -2.238971     -3.118187
  H      -4.894169     -3.012014     -1.705855
  H      -6.329946      0.886746      0.201169
  H      -4.956272      2.224027      3.172598
  H      -1.935919     -0.740486      4.269566
  H      -0.943429      0.388992      3.335108
  H      -2.066198     -1.052314      1.829626
  H      -2.139766     -2.355561      0.046674
  H     -10.023449      8.699892      5.986111
  H      -8.846903      9.879198      5.367404
  H     -10.399557      9.630676      4.504422
  H      -7.620118      8.366183      6.568619
  H      -6.076162      7.773830      8.072320
  H      -3.323965      6.011228      7.289694
  H      -4.436647      5.023041      8.222767
  H      -5.961623      4.567238      3.831314
  H      -8.631461      6.570196      2.611426
  H     -10.882620      4.676928      2.599222
  H     -11.796547      3.425853      3.515339
  H     -12.421250      5.098996      3.363976
  H      -9.754419      5.335574      7.065313
  H      -7.058552      3.726753      8.733158
  H      -5.613252      1.230668      5.457850
  H      -5.917752      0.154204      6.828917
  H      -7.444035      1.600859      4.777877
  H      -9.925029      3.121788      2.966960
  N      -1.527541      3.671713      4.891889
  N      -1.001941      3.931029      3.839102
  H      -0.382139      4.778449      3.835038
95
Coordinates from ORCA-job orca E -6715.164606102139
  N      -1.503912      1.052173      5.273278
  Mo     -2.800702      2.461068      5.997753
  N      -4.099816      1.230000      6.896052
  C      -3.701781      0.613804      8.152538
  C      -2.194428      0.438003      8.150531
  N      -1.543812      1.719350      7.720662
  C      -0.166809      1.490088      7.203498
  C      -0.263292      0.691589      5.914505
  C      -1.512994      2.694440      8.857693
  C      -1.721780      4.080741      8.284903
  N      -2.817946      3.945868      7.355467
  H       0.615750      0.905578      5.275380
  H      -0.234753     -0.398728      6.120063
  H       0.268496      2.479706      7.013857
  H       0.443753      0.976912      7.964535
  H      -1.955657      4.794437      9.092150
  H      -0.805679      4.447051      7.778401
  H      -2.350306      2.454205      9.523908
  H      -0.569629      2.580856      9.413514
  H      -4.174929     -0.378225      8.279617
  H      -4.030869      1.226882      9.012759
  H      -1.915848     -0.334786      7.426144
  H      -1.811700      0.147803      9.142264
  C      -4.981246     -2.072826     -2.310195
  C      -5.519430     -0.975601     -1.434369
  O      -6.565164     -0.402146     -1.721311
  C      -4.784994     -0.555291     -0.177103
  C      -5.393669      0.456729      0.566519
  C      -4.845676      0.958265      1.746176
  O      -5.515872      1.939769      2.385714
  C      -3.615880      0.409816      2.226030
  C      -3.029551      0.876003      3.448515
  O      -3.593101      1.808693      4.120020
  C      -1.779663      0.341152      4.059413
  C      -2.997633     -0.614051      1.470134
  C      -3.553453     -1.095559      0.293861
  O      -2.940032     -2.081710     -0.424169
  C      -9.595199      9.142719      5.059348
  C      -9.000975      8.051757      4.218491
  O      -9.479029      7.805004      3.091690
  C      -7.864997      7.258401      4.720914
  C      -7.251244      7.537750      5.953086
  C      -6.190568      6.778143      6.430120
  O      -5.588835      7.051185      7.624061
  C      -5.714476      5.675401      5.664047
  C      -4.642145      4.807381      6.112393
  O      -4.353304      3.768706      5.433148
  C      -3.789495      5.003526      7.315509
  C      -6.326294      5.395658      4.427928
  C      -7.380899      6.163966      3.941882
  O      -7.934460      5.842336      2.760395
  C     -11.506534      4.503875      3.488122
  C     -10.793590      4.939782      4.746620
  O     -11.137118      5.975736      5.309468
  C      -9.670804      4.121046      5.322660
  C      -9.250326      4.505228      6.601241
  C      -8.202774      3.873171      7.265507
  O      -7.848175      4.317639      8.487003
  C      -7.518262      2.800332      6.616436
  C      -6.351451      2.204779      7.272225
  O      -6.002063      2.583902      8.411565
  C      -5.503880      1.141040      6.568112
  C      -7.945302      2.410539      5.335753
  C      -8.999807      3.042342      4.680865
  O      -9.274600      2.561012      3.434980
  H      -3.981750     -1.811331     -2.686977
  H      -5.673402     -2.226319     -3.144889
  H      -4.856903     -3.003397     -1.738045
  H      -6.334515      0.867152      0.197587
  H      -4.979038      2.198964      3.178507
  H      -1.919138     -0.747619      4.245407
  H      -0.943614      0.412247      3.331549
  H      -2.054988     -1.042537      1.818109
  H      -2.114610     -2.335228      0.028124
  H     -10.007836      8.715919      5.986248
  H      -8.836828      9.887396      5.342956
  H     -10.398322      9.631518      4.498571
  H      -7.616393      8.368306      6.560343
  H      -6.071979      7.774845      8.064058
  H      -3.328567      6.012019      7.281121
  H      -4.434986      5.019931      8.217677
  H      -5.973960      4.555331      3.832335
  H      -8.646001      6.557140      2.614552
  H     -10.864075      4.693223      2.608421
  H     -11.785496      3.439221      3.513215
  H     -12.408481      5.113069      3.363137
  H      -9.763073      5.338047      7.082586
  H      -7.073752      3.727172      8.758260
  H      -5.625785      1.228138      5.481732
  H      -5.924227      0.155826      6.857675
  H      -7.443548      1.607755      4.797085
  H      -9.915756      3.134096      2.978546
  N      -1.541822      3.652500      4.876465
  N      -1.020475      3.904594      3.819681
  H      -0.405701      4.755921      3.804849
95
Coordinates from ORCA-job orca E -6715.164623339734
  N      -1.508663      1.040126      5.279880
  Mo     -2.800706      2.456191      5.998259
  N      -4.103777      1.235755      6.905041
  C      -3.706940      0.620279      8.162127
  C      -2.199942      0.439600      8.158864
  N      -1.545886      1.717320      7.723547
  C      -0.169426      1.481728      7.208204
  C      -0.266964      0.681272      5.920126
  C      -1.512381      2.696877      8.856660
  C      -1.713718      4.081582      8.277072
  N      -2.810338      3.947895      7.347954
  H       0.611061      0.895858      5.279634
  H      -0.237434     -0.408738      6.126775
  H       0.270958      2.468982      7.018244
  H       0.437827      0.966916      7.970833
  H      -1.943608      4.800652      9.080611
  H      -0.795581      4.439808      7.768642
  H      -2.352089      2.463681      9.522361
  H      -0.570698      2.581036      9.414861
  H      -4.182634     -0.370319      8.291034
  H      -4.033898      1.234970      9.021968
  H      -1.925230     -0.336705      7.436738
  H      -1.816466      0.152031      9.151084
  C      -4.966959     -2.055198     -2.325441
  C      -5.505655     -0.959600     -1.447865
  O      -6.549874     -0.383916     -1.735730
  C      -4.774985     -0.545046     -0.186348
  C      -5.383161      0.467037      0.557377
  C      -4.839515      0.962351      1.741593
  O      -5.508575      1.944935      2.380425
  C      -3.614385      0.408059      2.225472
  C      -3.031411      0.869127      3.451806
  O      -3.594929      1.801508      4.123901
  C      -1.780406      0.334838      4.062044
  C      -2.995966     -0.615345      1.469186
  C      -3.547654     -1.091423      0.288734
  O      -2.934644     -2.077571     -0.429437
  C      -9.593060      9.138367      5.053937
  C      -8.999105      8.046428      4.213914
  O      -9.479597      7.796380      3.088896
  C      -7.862084      7.254806      4.715931
  C      -7.246527      7.536154      5.946775
  C      -6.185036      6.777432      6.423293
  O      -5.581660      7.052264      7.616041
  C      -5.709817      5.673214      5.658584
  C      -4.637783      4.805863      6.107741
  O      -4.351129      3.764616      5.431217
  C      -3.783555      5.004032      7.309651
  C      -6.323076      5.391920      4.423366
  C      -7.378078      6.159770      3.937668
  O      -7.932068      5.837580      2.756423
  C     -11.526577      4.491083      3.504157
  C     -10.807543      4.935386      4.756401
  O     -11.144463      5.978073      5.310749
  C      -9.681879      4.120444      5.331990
  C      -9.254130      4.513485      6.605428
  C      -8.203421      3.885498      7.268480
  O      -7.842570      4.337158      8.485469
  C      -7.522699      2.808050      6.623247
  C      -6.352914      2.217137      7.277763
  O      -5.998194      2.605099      8.412480
  C      -5.508120      1.148237      6.577844
  C      -7.956971      2.409120      5.347785
  C      -9.014969      3.036726      4.694330
  O      -9.297197      2.546427      3.453646
  H      -3.965250     -1.795409     -2.697433
  H      -5.656338     -2.203631     -3.163336
  H      -4.847816     -2.988217     -1.756214
  H      -6.320603      0.882244      0.185089
  H      -4.975208      2.200254      3.176637
  H      -1.914055     -0.755515      4.240507
  H      -0.943934      0.415404      3.335238
  H      -2.056123     -1.047742      1.819835
  H      -2.112786     -2.336690      0.026110
  H      -9.998530      8.714256      5.985202
  H      -8.835490      9.886948      5.329449
  H     -10.401079      9.622087      4.495855
  H      -7.611063      8.367440      6.553378
  H      -6.064007      7.776954      8.055190
  H      -3.324482      6.013188      7.275945
  H      -4.428532      5.018129      8.212419
  H      -5.971191      4.551043      3.828341
  H      -8.642719      6.552892      2.609725
  H     -10.886692      4.670743      2.620579
  H     -11.808668      3.427558      3.539321
  H     -12.427080      5.102010      3.377431
  H      -9.764119      5.349614      7.083916
  H      -7.067164      3.748062      8.756640
  H      -5.631113      1.230125      5.491055
  H      -5.930005      0.165216      6.872420
  H      -7.459038      1.601957      4.812171
  H      -9.940874      3.116214      2.996675
  N      -1.540284      3.637747      4.868618
  N      -1.020535      3.884739      3.809722
  H      -0.401983      4.733387      3.791230
95
Coordinates from ORCA-job orca E -6715.164646454986
  N      -1.509799      1.032166      5.284150
  Mo     -2.797538      2.454370      5.997561
  N      -4.106799      1.243372      6.907860
  C      -3.713465      0.624147      8.164155
  C      -2.206661      0.439066      8.162053
  N      -1.548975      1.714699      7.725312
  C      -0.171914      1.474478      7.214148
  C      -0.267467      0.675411      5.924708
  C      -1.515528      2.696083      8.856890
  C      -1.706571      4.080652      8.273115
  N      -2.800835      3.951337      7.340599
  H       0.610216      0.893390      5.284758
  H      -0.235556     -0.414738      6.129700
  H       0.273919      2.459975      7.028014
  H       0.430614      0.956490      7.978483
  H      -1.934212      4.803641      9.073684
  H      -0.784580      4.431286      7.766501
  H      -2.360060      2.469194      9.518693
  H      -0.577677      2.575363      9.420530
  H      -4.192053     -0.365330      8.290669
  H      -4.039585      1.237883      9.024982
  H      -1.934018     -0.339016      7.440998
  H      -1.823841      0.152516      9.154789
  C      -4.960288     -2.051795     -2.330448
  C      -5.499301     -0.957688     -1.451328
  O      -6.542202     -0.380102     -1.739713
  C      -4.768107     -0.543032     -0.189464
  C      -5.374484      0.471341      0.552158
  C      -4.831941      0.965199      1.737520
  O      -5.498487      1.950378      2.374538
  C      -3.609819      0.407667      2.223375
  C      -3.027775      0.867840      3.450593
  O      -3.592904      1.798752      4.123928
  C      -1.774812      0.335639      4.059866
  C      -2.992504     -0.617849      1.469124
  C      -3.542845     -1.092819      0.287641
  O      -2.931544     -2.080309     -0.429725
  C      -9.597181      9.128448      5.060052
  C      -9.002098      8.038994      4.217440
  O      -9.485032      7.788503      3.093479
  C      -7.862488      7.249692      4.716428
  C      -7.243961      7.532734      5.945393
  C      -6.180150      6.775972      6.419461
  O      -5.574746      7.052120      7.611030
  C      -5.704754      5.671562      5.654895
  C      -4.631557      4.806124      6.103381
  O      -4.345945      3.763648      5.427740
  C      -3.776450      5.005098      7.304682
  C      -6.321045      5.388442      4.421380
  C      -7.378118      6.154633      3.937863
  O      -7.934479      5.830275      2.758241
  C     -11.542150      4.488015      3.512594
  C     -10.817239      4.938067      4.759541
  O     -11.157620      5.978561      5.315539
  C      -9.689737      4.125175      5.334701
  C      -9.259965      4.521752      6.606309
  C      -8.206728      3.897157      7.268564
  O      -7.843495      4.352250      8.483381
  C      -7.525953      2.818944      6.624438
  C      -6.353480      2.231733      7.277228
  O      -5.995851      2.623436      8.409858
  C      -5.510842      1.159834      6.579221
  C      -7.962218      2.416249      5.350817
  C      -9.022354      3.041064      4.698083
  O      -9.305792      2.548262      3.458723
  H      -3.957507     -1.792899     -2.700140
  H      -5.648555     -2.197248     -3.169795
  H      -4.843631     -2.986329     -1.763262
  H      -6.310051      0.888952      0.177749
  H      -4.967023      2.204132      3.172444
  H      -1.895762     -0.757398      4.227307
  H      -0.938615      0.433337      3.334173
  H      -2.054243     -1.052102      1.821677
  H      -2.111706     -2.343182      0.027290
  H      -9.994106      8.703807      5.994658
  H      -8.841718      9.881498      5.329209
  H     -10.411343      9.607155      4.506624
  H      -7.608214      8.363674      6.552657
  H      -6.057170      7.776676      8.050313
  H      -3.320250      6.015470      7.274369
  H      -4.421666      5.014447      8.207566
  H      -5.969648      4.547311      3.826444
  H      -8.646710      6.544158      2.612330
  H     -10.906846      4.665098      2.625196
  H     -11.822465      3.424183      3.552726
  H     -12.444064      5.097311      3.388181
  H      -9.770159      5.358301      7.083842
  H      -7.065644      3.765676      8.753477
  H      -5.633758      1.240005      5.492142
  H      -5.935525      0.178248      6.874473
  H      -7.464430      1.608525      4.815870
  H      -9.950065      3.117071      3.001344
  N      -1.534264      3.626699      4.862479
  N      -1.016888      3.867469      3.800819
  H      -0.392782      4.711868      3.778117
95
Coordinates from ORCA-job orca E -6715.164666938305
  N      -1.512090      1.024813      5.286670
  Mo     -2.795673      2.453310      5.995266
  N      -4.110852      1.252405      6.909611
  C      -3.721041      0.628182      8.164597
  C      -2.214379      0.438820      8.163541
  N      -1.553292      1.712359      7.725350
  C      -0.175609      1.467247      7.218767
  C      -0.269103      0.670529      5.927543
  C      -1.519691      2.695328      8.855418
  C      -1.699344      4.079782      8.267600
  N      -2.790976      3.955300      7.331411
  H       0.608021      0.892483      5.288150
  H      -0.234107     -0.419887      6.130101
  H       0.276025      2.450925      7.037063
  H       0.421689      0.945483      7.984707
  H      -1.924714      4.806746      9.065090
  H      -0.773306      4.422620      7.763175
  H      -2.369470      2.475197      9.512814
  H      -0.585971      2.569085      9.424787
  H      -4.202798     -0.360084      8.287613
  H      -4.046119      1.240669      9.026725
  H      -1.943682     -0.340589      7.443126
  H      -1.831947      0.153045      9.156570
  C      -4.946960     -2.054696     -2.335860
  C      -5.491833     -0.966319     -1.453419
  O      -6.539656     -0.395938     -1.737943
  C      -4.761025     -0.549318     -0.191609
  C      -5.370805      0.462277      0.550717
  C      -4.829474      0.957019      1.736371
  O      -5.499449      1.938573      2.375188
  C      -3.605436      0.403258      2.220781
  C      -3.023505      0.866125      3.446989
  O      -3.592131      1.794054      4.122158
  C      -1.766671      0.340687      4.053134
  C      -2.984893     -0.620057      1.466262
  C      -3.533530     -1.095520      0.284263
  O      -2.919611     -2.079843     -0.434803
  C      -9.602169      9.121920      5.070901
  C      -9.006211      8.034867      4.225923
  O      -9.487414      7.787459      3.100458
  C      -7.863874      7.247798      4.721750
  C      -7.242987      7.530506      5.949544
  C      -6.177172      6.774743      6.420406
  O      -5.569560      7.050708      7.611066
  C      -5.701884      5.671108      5.654466
  C      -4.627160      4.806890      6.100825
  O      -4.342156      3.764527      5.424401
  C      -3.770595      5.005266      7.301134
  C      -6.320784      5.388277      4.422009
  C      -7.379060      6.154274      3.941198
  O      -7.937025      5.831131      2.761977
  C     -11.550426      4.492107      3.515351
  C     -10.828123      4.941575      4.764082
  O     -11.169073      5.982133      5.319364
  C      -9.698836      4.130682      5.338798
  C      -9.266859      4.530570      6.608591
  C      -8.210893      3.909362      7.269622
  O      -7.844286      4.368743      8.481660
  C      -7.530411      2.830327      6.626375
  C      -6.355209      2.246552      7.276953
  O      -5.993469      2.642516      8.406881
  C      -5.514511      1.173110      6.579429
  C      -7.968954      2.424090      5.354685
  C      -9.031402      3.046124      4.703033
  O      -9.317870      2.549735      3.465792
  H      -3.945728     -1.789457     -2.705187
  H      -5.634886     -2.201571     -3.175243
  H      -4.825047     -2.990236     -1.771442
  H      -6.308147      0.876514      0.177017
  H      -4.970652      2.190732      3.175447
  H      -1.868110     -0.756050      4.205820
  H      -0.932234      0.462875      3.328374
  H      -2.045235     -1.051383      1.818571
  H      -2.099342     -2.342080      0.021795
  H      -9.992372      8.696400      6.007803
  H      -8.848512      9.878471      5.335446
  H     -10.421012      9.596787      4.521092
  H      -7.606916      8.360367      6.558487
  H      -6.051666      7.774815      8.051459
  H      -3.318507      6.017441      7.276097
  H      -4.415596      5.006846      8.204407
  H      -5.969701      4.547974      3.825741
  H      -8.649456      6.545087      2.617956
  H     -10.913572      4.669972      2.629183
  H     -11.830147      3.428080      3.553970
  H     -12.452317      5.101144      3.389720
  H      -9.776903      5.367727      7.085199
  H      -7.062474      3.786233      8.749522
  H      -5.637059      1.253412      5.492272
  H      -5.942176      0.192541      6.873780
  H      -7.471702      1.615606      4.820388
  H      -9.963847      3.116909      3.008806
  N      -1.529569      3.616134      4.853194
  N      -1.015268      3.847988      3.787966
  H      -0.385697      4.687870      3.758920
95
Coordinates from ORCA-job orca E -6715.164684702964
  N      -1.516516      1.015748      5.290714
  Mo     -2.795540      2.450801      5.994126
  N      -4.114346      1.259878      6.915178
  C      -3.726121      0.633991      8.169920
  C      -2.219660      0.441201      8.168566
  N      -1.556060      1.711924      7.726144
  C      -0.178476      1.461417      7.222080
  C      -0.271932      0.664906      5.930490
  C      -1.520837      2.698306      8.853050
  C      -1.691451      4.081569      8.259675
  N      -2.781615      3.959389      7.321486
  H       0.603643      0.889605      5.289990
  H      -0.233508     -0.425526      6.132110
  H       0.277555      2.443280      7.041352
  H       0.415285      0.937731      7.989415
  H      -1.914422      4.813067      9.053596
  H      -0.762604      4.417386      7.755883
  H      -2.374250      2.484999      9.507999
  H      -0.589772      2.568628      9.426101
  H      -4.210215     -0.353141      8.291986
  H      -4.049627      1.247138      9.032206
  H      -1.950948     -0.340312      7.449644
  H      -1.836860      0.157510      9.161976
  C      -4.934214     -2.050937     -2.343287
  C      -5.486822     -0.970978     -1.455380
  O      -6.539797     -0.408108     -1.735859
  C      -4.757558     -0.553884     -0.192802
  C      -5.371774      0.453163      0.552139
  C      -4.831282      0.948400      1.738076
  O      -5.504712      1.926395      2.378797
  C      -3.604242      0.398698      2.220578
  C      -3.023043      0.862569      3.446412
  O      -3.595165      1.787161      4.123816
  C      -1.761405      0.344604      4.048028
  C      -2.979883     -0.620567      1.463699
  C      -3.527174     -1.095507      0.280921
  O      -2.909901     -2.075881     -0.440494
  C      -9.604383      9.117473      5.079504
  C      -9.007632      8.033835      4.231062
  O      -9.490002      7.787851      3.105707
  C      -7.864658      7.246173      4.724984
  C      -7.242105      7.528389      5.952043
  C      -6.175568      6.772691      6.421237
  O      -5.566299      7.048427      7.611186
  C      -5.701210      5.669250      5.654586
  C      -4.625147      4.805656      6.099039
  O      -4.341156      3.762985      5.422639
  C      -3.766254      5.004793      7.297496
  C      -6.322222      5.386261      4.423240
  C      -7.380761      6.152561      3.943613
  O      -7.939568      5.829718      2.764781
  C     -11.551178      4.496586      3.513362
  C     -10.832385      4.944850      4.764445
  O     -11.175562      5.984414      5.320273
  C      -9.703698      4.134373      5.340875
  C      -9.272824      4.535492      6.610722
  C      -8.216615      3.915884      7.272702
  O      -7.850903      4.376789      8.484469
  C      -7.534836      2.837047      6.630613
  C      -6.357626      2.257023      7.280551
  O      -5.993306      2.657504      8.408063
  C      -5.517665      1.182771      6.584039
  C      -7.972760      2.428953      5.359356
  C      -9.035371      3.049490      4.706572
  O      -9.321225      2.551337      3.469844
  H      -3.934347     -1.777441     -2.710237
  H      -5.620497     -2.197917     -3.183988
  H      -4.806950     -2.988664     -1.783645
  H      -6.311219      0.863846      0.179932
  H      -4.976076      2.178272      3.179519
  H      -1.844865     -0.755261      4.186720
  H      -0.929431      0.489416      3.324053
  H      -2.038895     -1.049423      1.815383
  H      -2.088755     -2.336438      0.015495
  H      -9.987975      8.690159      6.018225
  H      -8.852578      9.877198      5.340386
  H     -10.427740      9.589014      4.533567
  H      -7.605070      8.358241      6.561620
  H      -6.047541      7.772606      8.052392
  H      -3.319016      6.019049      7.275951
  H      -4.410164      4.999150      8.201651
  H      -5.971878      4.545979      3.826408
  H      -8.651995      6.543917      2.621466
  H     -10.911558      4.674565      2.629223
  H     -11.831922      3.432762      3.550607
  H     -12.452311      5.106258      3.385408
  H      -9.783810      5.372617      7.086348
  H      -7.068077      3.795956      8.752784
  H      -5.639187      1.263260      5.496852
  H      -5.947544      0.202908      6.877726
  H      -7.474651      1.620332      4.826096
  H      -9.967005      3.117964      3.011909
  N      -1.529281      3.602934      4.840973
  N      -1.020233      3.823652      3.770619
  H      -0.386896      4.660197      3.732382
95
Coordinates from ORCA-job orca E -6715.164704036228
  N      -1.520310      1.007625      5.294849
  Mo     -2.794734      2.448879      5.993554
  N      -4.117319      1.266721      6.919222
  C      -3.731040      0.640525      8.174660
  C      -2.225159      0.443654      8.173502
  N      -1.558299      1.711434      7.727594
  C      -0.180855      1.455169      7.225523
  C      -0.275045      0.658359      5.934118
  C      -1.520953      2.701072      8.851608
  C      -1.683691      4.083280      8.253460
  N      -2.772018      3.963188      7.312718
  H       0.599769      0.883615      5.292825
  H      -0.235234     -0.432174      6.135133
  H       0.278815      2.435308      7.044414
  H       0.409780      0.930176      7.994269
  H      -1.905396      4.818368      9.044352
  H      -0.752320      4.413795      7.751079
  H      -2.377261      2.493716      9.504703
  H      -0.591820      2.568443      9.427216
  H      -4.218176     -0.345039      8.296513
  H      -4.052780      1.255702      9.036128
  H      -1.957953     -0.339694      7.455961
  H      -1.842860      0.161365      9.167472
  C      -4.925327     -2.047588     -2.348710
  C      -5.485040     -0.976315     -1.454740
  O      -6.543126     -0.420752     -1.730722
  C      -4.756123     -0.558460     -0.192463
  C      -5.374354      0.444330      0.555154
  C      -4.833319      0.941559      1.740126
  O      -5.509578      1.916759      2.382309
  C      -3.602261      0.396782      2.219993
  C      -3.021240      0.862149      3.444818
  O      -3.597148      1.783136      4.124323
  C      -1.755168      0.350900      4.042262
  C      -2.974780     -0.618856      1.460677
  C      -3.522221     -1.094508      0.278325
  O      -2.901832     -2.071689     -0.444929
  C      -9.607498      9.111643      5.086914
  C      -9.009278      8.030690      4.236453
  O      -9.491079      7.785458      3.110672
  C      -7.864732      7.243984      4.728902
  C      -7.241413      7.525941      5.955638
  C      -6.173844      6.770852      6.423540
  O      -5.564022      7.045858      7.613367
  C      -5.699420      5.668635      5.655432
  C      -4.622088      4.805208      6.097880
  O      -4.338651      3.762980      5.420639
  C      -3.762019      5.003950      7.295514
  C      -6.321506      5.385585      4.424743
  C      -7.380917      6.151393      3.946184
  O      -7.940343      5.829258      2.767488
  C     -11.552564      4.499271      3.510552
  C     -10.837107      4.946898      4.763524
  O     -11.181744      5.986320      5.318923
  C      -9.708425      4.137451      5.341501
  C      -9.278254      4.540130      6.611144
  C      -8.221657      3.922129      7.273922
  O      -7.856593      4.385042      8.485242
  C      -7.538828      2.843294      6.633094
  C      -6.359673      2.266706      7.282495
  O      -5.994331      2.669780      8.408726
  C      -5.520210      1.192147      6.586640
  C      -7.976358      2.433397      5.362307
  C      -9.039225      3.052351      4.708520
  O      -9.324351      2.552556      3.472189
  H      -3.926915     -1.765931     -2.713419
  H      -5.610218     -2.194352     -3.190578
  H      -4.792675     -2.987590     -1.794114
  H      -6.316593      0.850646      0.185364
  H      -4.978961      2.169971      3.181627
  H      -1.821690     -0.751585      4.166611
  H      -0.925340      0.517887      3.320184
  H      -2.032143     -1.044966      1.811283
  H      -2.078958     -2.328840      0.009909
  H      -9.987079      8.682519      6.026401
  H      -8.857674      9.873877      5.346319
  H     -10.433705      9.580562      4.542996
  H      -7.604603      8.355073      6.566074
  H      -6.045547      7.768953      8.056007
  H      -3.319550      6.020242      7.278080
  H      -4.405184      4.990597      8.200161
  H      -5.971137      4.545747      3.827140
  H      -8.653231      6.543322      2.625304
  H     -10.909637      4.675297      2.628437
  H     -11.836029      3.436144      3.547909
  H     -12.452104      5.110591      3.379145
  H      -9.790095      5.377322      7.085712
  H      -7.072059      3.806653      8.753477
  H      -5.639657      1.274244      5.499479
  H      -5.952701      0.212753      6.878457
  H      -7.477356      1.624599      4.830159
  H      -9.969481      3.119071      3.013170
  N      -1.526358      3.590071      4.830386
  N      -1.022935      3.797139      3.754469
  H      -0.383514      4.628462      3.705567
95
Coordinates from ORCA-job orca E -6715.164724536426
  N      -1.523222      1.000322      5.299877
  Mo     -2.793708      2.447244      5.993297
  N      -4.119429      1.272142      6.921835
  C      -3.735128      0.647155      8.178821
  C      -2.230080      0.446597      8.178618
  N      -1.560017      1.711671      7.729814
  C      -0.182622      1.450191      7.229574
  C      -0.277788      0.651751      5.939210
  C      -1.520787      2.704582      8.850976
  C      -1.677449      4.085588      8.248160
  N      -2.763348      3.966702      7.304085
  H       0.596946      0.875826      5.297376
  H      -0.237927     -0.438739      6.140699
  H       0.279576      2.428817      7.046680
  H       0.405472      0.924936      7.999972
  H      -1.899565      4.823488      9.036266
  H      -0.743869      4.412653      7.747936
  H      -2.379161      2.502289      9.502943
  H      -0.592931      2.570272      9.428266
  H      -4.225309     -0.336748      8.301363
  H      -4.055519      1.265274      9.038552
  H      -1.963642     -0.338599      7.462820
  H      -1.849151      0.165566      9.173491
  C      -4.919234     -2.040484     -2.353323
  C      -5.483208     -0.975042     -1.455028
  O      -6.545414     -0.425188     -1.726859
  C      -4.754773     -0.558340     -0.192482
  C      -5.374771      0.441866      0.557412
  C      -4.833207      0.939269      1.742115
  O      -5.510403      1.913179      2.385420
  C      -3.600241      0.396190      2.220644
  C      -3.019424      0.861418      3.445373
  O      -3.596643      1.780719      4.125852
  C      -1.750849      0.353871      4.040145
  C      -2.971622     -0.617218      1.459017
  C      -3.519482     -1.092156      0.276598
  O      -2.897710     -2.067827     -0.447931
  C      -9.610955      9.104393      5.093532
  C      -9.010899      8.027047      4.239951
  O      -9.493715      7.782781      3.114383
  C      -7.864177      7.241572      4.730011
  C      -7.240241      7.523552      5.956514
  C      -6.171325      6.769570      6.423287
  O      -5.561336      7.043971      7.613051
  C      -5.696440      5.668812      5.653698
  C      -4.618177      4.805358      6.094660
  O      -4.335014      3.763457      5.416918
  C      -3.757763      5.003989      7.292099
  C      -6.319161      5.385537      4.423552
  C      -7.379875      6.150227      3.945857
  O      -7.939586      5.827968      2.767443
  C     -11.554332      4.500560      3.508828
  C     -10.841868      4.947173      4.763639
  O     -11.188771      5.985534      5.319886
  C      -9.713139      4.138523      5.342608
  C      -9.282505      4.543376      6.611437
  C      -8.225469      3.926754      7.274738
  O      -7.860206      4.392011      8.485258
  C      -7.542527      2.847306      6.635396
  C      -6.361487      2.273826      7.284132
  O      -5.994212      2.680518      8.408378
  C      -5.521997      1.199766      6.588036
  C      -7.980954      2.434864      5.365723
  C      -9.044372      3.052158      4.711393
  O      -9.330862      2.548957      3.476682
  H      -3.921157     -1.754290     -2.715384
  H      -5.602586     -2.185963     -3.196635
  H      -4.784543     -2.982433     -1.802464
  H      -6.318410      0.846405      0.189362
  H      -4.978142      2.166374      3.183824
  H      -1.806190     -0.749980      4.154746
  H      -0.922360      0.536478      3.320090
  H      -2.028420     -1.042592      1.808942
  H      -2.073854     -2.322990      0.006227
  H      -9.989769      8.671103      6.031445
  H      -8.862850      9.867288      5.355809
  H     -10.438060      9.573328      4.550982
  H      -7.604270      8.351601      6.567885
  H      -6.043896      7.765302      8.057389
  H      -3.318689      6.021656      7.277291
  H      -4.400109      4.984861      8.197164
  H      -5.968531      4.546174      3.825362
  H      -8.653464      6.541320      2.626044
  H     -10.908880      4.676100      2.628470
  H     -11.839342      3.437817      3.545650
  H     -12.452978      5.112699      3.375047
  H      -9.794373      5.381284      7.084687
  H      -7.074374      3.815753      8.753469
  H      -5.639474      1.284627      5.500953
  H      -5.956509      0.220399      6.877207
  H      -7.481960      1.625072      4.835071
  H      -9.975543      3.115026      3.016495
  N      -1.520386      3.576921      4.820897
  N      -1.023294      3.767805      3.738863
  H      -0.376214      4.592376      3.677600
95
Coordinates from ORCA-job orca E -6715.164750719538
  N      -1.530553      0.988126      5.307238
  Mo     -2.795297      2.443500      5.994219
  N      -4.124103      1.278481      6.929482
  C      -3.740780      0.657813      8.189278
  C      -2.236973      0.451268      8.188413
  N      -1.562245      1.711662      7.733224
  C      -0.186096      1.442283      7.233351
  C      -0.285252      0.638895      5.946538
  C      -1.518040      2.710465      8.849091
  C      -1.668037      4.088948      8.238436
  N      -2.753213      3.970674      7.292906
  H       0.589490      0.858194      5.302959
  H      -0.247875     -0.451126      6.151351
  H       0.279200      2.418381      7.045023
  H       0.400137      0.918278      8.005945
  H      -1.888240      4.831810      9.022346
  H      -0.732707      4.409864      7.737912
  H      -2.377242      2.515759      9.502293
  H      -0.590426      2.574997      9.426468
  H      -4.235122     -0.323440      8.316188
  H      -4.058072      1.281279      9.046111
  H      -1.973622     -0.337897      7.475919
  H      -1.856667      0.173066      9.184390
  C      -4.901793     -2.027474     -2.367724
  C      -5.474865     -0.973776     -1.461315
  O      -6.540370     -0.428950     -1.730545
  C      -4.748558     -0.558289     -0.197367
  C      -5.372592      0.437267      0.555513
  C      -4.833497      0.933284      1.741834
  O      -5.514401      1.903352      2.387150
  C      -3.598710      0.393378      2.219764
  C      -3.019921      0.857779      3.445789
  O      -3.601007      1.772867      4.128283
  C      -1.747347      0.356764      4.037578
  C      -2.966141     -0.615351      1.455038
  C      -3.511682     -1.088598      0.270892
  O      -2.885632     -2.060392     -0.455730
  C      -9.612935      9.099151      5.097590
  C      -9.011898      8.023187      4.242795
  O      -9.496313      7.777763      3.118221
  C      -7.863445      7.239079      4.731084
  C      -7.237950      7.522050      5.956600
  C      -6.167660      6.769028      6.422061
  O      -5.556620      7.043362      7.611107
  C      -5.693323      5.668884      5.651373
  C      -4.614498      4.805175      6.090953
  O      -4.333779      3.762081      5.414174
  C      -3.751938      5.004685      7.286892
  C      -6.317721      5.384627      4.422386
  C      -7.379907      6.148295      3.946045
  O      -7.941381      5.825702      2.768626
  C     -11.561630      4.498978      3.513387
  C     -10.850118      4.947722      4.767852
  O     -11.197464      5.987044      5.322148
  C      -9.720557      4.140986      5.347960
  C      -9.287586      4.550565      6.614434
  C      -8.229653      3.936072      7.278289
  O      -7.862901      4.405479      8.486885
  C      -7.547793      2.854440      6.641790
  C      -6.364549      2.284663      7.289971
  O      -5.995476      2.695640      8.412007
  C      -5.526633      1.208179      6.595860
  C      -7.988800      2.437040      5.374563
  C      -9.053343      3.051901      4.719816
  O      -9.342547      2.543505      3.487851
  H      -3.903648     -1.733157     -2.723008
  H      -5.581107     -2.168792     -3.214982
  H      -4.764713     -2.973799     -1.824965
  H      -6.317779      0.839204      0.188559
  H      -4.982872      2.156645      3.185952
  H      -1.786929     -0.748757      4.136854
  H      -0.920052      0.562428      3.321966
  H      -2.021449     -1.038052      1.804258
  H      -2.060723     -2.312487     -0.001772
  H      -9.991921      8.663475      6.034410
  H      -8.865758      9.862174      5.361971
  H     -10.440247      9.568316      4.555587
  H      -7.602060      8.349689      6.568418
  H      -6.039987      7.763157      8.057046
  H      -3.316059      6.023531      7.273591
  H      -4.392034      4.980200      8.193349
  H      -5.967624      4.545231      3.823903
  H      -8.655952      6.538507      2.628455
  H     -10.913513      4.668028      2.633739
  H     -11.851291      3.437616      3.554472
  H     -12.457673      5.113920      3.375061
  H      -9.798663      5.390260      7.085345
  H      -7.076202      3.831006      8.755647
  H      -5.643268      1.292849      5.508669
  H      -5.963178      0.229793      6.885531
  H      -7.490734      1.624992      4.846449
  H      -9.987278      3.108458      3.026281
  N      -1.516247      3.555832      4.807107
  N      -1.029125      3.722759      3.716390
  H      -0.370876      4.536865      3.635911
95
Coordinates from ORCA-job orca E -6715.164777086426
  N      -1.534774      0.980748      5.313757
  Mo     -2.796463      2.440843      5.996656
  N      -4.126500      1.279349      6.933728
  C      -3.743866      0.662565      8.195959
  C      -2.240821      0.453669      8.196181
  N      -1.563580      1.711518      7.737499
  C      -0.188215      1.438134      7.237577
  C      -0.289647      0.630814      5.953431
  C      -1.516962      2.714406      8.849651
  C      -1.663491      4.091194      8.233857
  N      -2.747133      3.973092      7.285937
  H       0.585348      0.846985      5.309099
  H      -0.254200     -0.458714      6.160875
  H       0.277985      2.412922      7.044972
  H       0.397562      0.915905      8.011721
  H      -1.884198      4.836751      9.015022
  H      -0.726888      4.409195      7.734217
  H      -2.376097      2.524245      9.504359
  H      -0.589227      2.579294      9.426846
  H      -4.239863     -0.317460      8.326223
  H      -4.060764      1.289276      9.050413
  H      -1.978091     -0.338395      7.486764
  H      -1.861999      0.177836      9.193454
  C      -4.894028     -2.012066     -2.376455
  C      -5.469003     -0.962034     -1.466981
  O      -6.538080     -0.422137     -1.731942
  C      -4.743997     -0.549218     -0.201413
  C      -5.368194      0.445231      0.552781
  C      -4.831171      0.937899      1.741228
  O      -5.512429      1.907189      2.387388
  C      -3.597887      0.396267      2.220192
  C      -3.020527      0.857609      3.448370
  O      -3.602831      1.769990      4.132992
  C      -1.746609      0.357438      4.039043
  C      -2.964820     -0.611107      1.454135
  C      -3.508522     -1.081400      0.267960
  O      -2.881935     -2.052790     -0.459218
  C      -9.614042      9.094803      5.094502
  C      -9.013310      8.017424      4.240953
  O      -9.499336      7.769882      3.117547
  C      -7.863384      7.235224      4.728360
  C      -7.236303      7.520546      5.952525
  C      -6.164850      6.768820      6.417610
  O      -5.552463      7.044907      7.605392
  C      -5.691073      5.667944      5.647480
  C      -4.612137      4.804565      6.087219
  O      -4.332986      3.760006      5.412015
  C      -3.747868      5.006098      7.281927
  C      -6.316989      5.381532      4.419716
  C      -7.380451      6.143881      3.943893
  O      -7.943483      5.819662      2.767739
  C     -11.566840      4.494960      3.518580
  C     -10.854285      4.946113      4.771639
  O     -11.202113      5.985709      5.324988
  C      -9.724430      4.140211      5.352615
  C      -9.287833      4.555108      6.616011
  C      -8.229172      3.942243      7.280260
  O      -7.859346      4.416832      8.485897
  C      -7.550003      2.856958      6.647058
  C      -6.365422      2.288787      7.294527
  O      -5.992970      2.703717      8.413948
  C      -5.529177      1.210530      6.600914
  C      -7.994797      2.434064      5.382888
  C      -9.060340      3.047075      4.728059
  O      -9.353885      2.532555      3.499724
  H      -3.895249     -1.716675     -2.728942
  H      -5.572038     -2.150635     -3.225210
  H      -4.757878     -2.960370     -1.836826
  H      -6.312511      0.848823      0.185272
  H      -4.982293      2.159539      3.187146
  H      -1.781126     -0.748586      4.130036
  H      -0.918879      0.574287      3.327043
  H      -2.020420     -1.034400      1.803557
  H      -2.057353     -2.305063     -0.004767
  H      -9.999875      8.657578      6.027954
  H      -8.865779      9.854382      5.365261
  H     -10.437128      9.568139      4.549745
  H      -7.600329      8.348607      6.563773
  H      -6.036684      7.763861      8.051781
  H      -3.312834      6.025148      7.267248
  H      -4.385480      4.980434      8.189913
  H      -5.967383      4.541468      3.821904
  H      -8.658577      6.531860      2.627759
  H     -10.917373      4.656929      2.638599
  H     -11.860948      3.434983      3.564592
  H     -12.460334      5.112792      3.376808
  H      -9.796705      5.397731      7.084076
  H      -7.072513      3.843076      8.755556
  H      -5.646295      1.295694      5.513728
  H      -5.966556      0.232536      6.890579
  H      -7.498944      1.618737      4.857696
  H      -9.998617      3.096378      3.036733
  N      -1.509322      3.539405      4.799155
  N      -1.033537      3.682809      3.699940
  H      -0.361467      4.483652      3.600785
95
Coordinates from ORCA-job orca E -6715.164796999154
  N      -1.543461      0.969348      5.319858
  Mo     -2.801822      2.435639      5.998498
  N      -4.132028      1.281103      6.943729
  C      -3.748184      0.669297      8.207926
  C      -2.245549      0.457345      8.206723
  N      -1.566292      1.711146      7.740512
  C      -0.192787      1.432324      7.239508
  C      -0.298134      0.619140      5.959495
  C      -1.515164      2.720047      8.846746
  C      -1.657695      4.093794      8.222962
  N      -2.743345      3.974804      7.277114
  H       0.576357      0.831104      5.313031
  H      -0.265023     -0.469419      6.171889
  H       0.275529      2.404940      7.041284
  H       0.393205      0.912490      8.015177
  H      -1.874184      4.844841      8.999962
  H      -0.720845      4.404624      7.719494
  H      -2.373455      2.536769      9.504611
  H      -0.586888      2.585631      9.423267
  H      -4.245408     -0.309395      8.343994
  H      -4.063079      1.299682      9.060411
  H      -1.986280     -0.339409      7.501302
  H      -1.865705      0.186037      9.204849
  C      -4.868535     -1.995381     -2.395590
  C      -5.452924     -0.956213     -1.479704
  O      -6.524040     -0.420218     -1.744204
  C      -4.732448     -0.545628     -0.210677
  C      -5.361190      0.444269      0.545541
  C      -4.829901      0.932559      1.738208
  O      -5.516043      1.896711      2.386780
  C      -3.597261      0.392404      2.218590
  C      -3.023505      0.851641      3.449642
  O      -3.610546      1.758814      4.137007
  C      -1.747127      0.356336      4.039211
  C      -2.959074     -0.610193      1.450713
  C      -3.497171     -1.076863      0.260495
  O      -2.865961     -2.043573     -0.468797
  C      -9.611293      9.096833      5.090921
  C      -9.014567      8.015905      4.238732
  O      -9.505188      7.765726      3.117876
  C      -7.864356      7.233637      4.724802
  C      -7.233507      7.521705      5.946381
  C      -6.161593      6.770117      6.410542
  O      -5.545968      7.048560      7.596094
  C      -5.690859      5.666338      5.642468
  C      -4.612608      4.803011      6.082942
  O      -4.337760      3.754439      5.412016
  C      -3.744110      5.008129      7.274137
  C      -6.320400      5.377190      4.417070
  C      -7.384389      6.139370      3.942219
  O      -7.951059      5.811839      2.768730
  C     -11.574635      4.496190      3.531140
  C     -10.861536      4.948026      4.783853
  O     -11.208434      5.988363      5.336114
  C      -9.731437      4.142254      5.364676
  C      -9.290603      4.561346      6.625197
  C      -8.230399      3.950042      7.288408
  O      -7.855700      4.428880      8.490787
  C      -7.554404      2.861631      6.657326
  C      -6.369218      2.294403      7.304359
  O      -5.993841      2.713778      8.421148
  C      -5.535412      1.211963      6.613669
  C      -8.003634      2.433957      5.396295
  C      -9.070630      3.045664      4.742466
  O      -9.369280      2.526086      3.517605
  H      -3.869413     -1.692894     -2.740975
  H      -5.542225     -2.129663     -3.248482
  H      -4.730884     -2.947780     -1.863575
  H      -6.305279      0.847226      0.176620
  H      -4.990848      2.147032      3.190089
  H      -1.771270     -0.750611      4.118019
  H      -0.919740      0.589881      3.331647
  H      -2.013998     -1.031531      1.800637
  H      -2.041947     -2.295769     -0.013284
  H      -9.998836      8.661857      6.024807
  H      -8.860414      9.854044      5.360864
  H     -10.432979      9.572373      4.545998
  H      -7.595151      8.351699      6.556438
  H      -6.028792      7.768830      8.041898
  H      -3.308842      6.026868      7.256197
  H      -4.378421      4.983726      8.184485
  H      -5.973255      4.535133      3.820701
  H      -8.666258      6.523852      2.628503
  H     -10.923673      4.652494      2.651240
  H     -11.872636      3.437390      3.580290
  H     -12.465676      5.116890      3.386751
  H      -9.796915      5.406457      7.091547
  H      -7.068494      3.855481      8.759942
  H      -5.655245      1.292150      5.526298
  H      -5.972385      0.235486      6.908629
  H      -7.510717      1.615588      4.873077
  H     -10.016460      3.087505      3.055087
  N      -1.511156      3.519642      4.787026
  N      -1.046139      3.641232      3.680338
  H      -0.364803      4.431801      3.562819
95
Coordinates from ORCA-job orca E -6715.164808100698
  N      -1.544084      0.968733      5.320827
  Mo     -2.803536      2.434449      6.000783
  N      -4.132041      1.277837      6.946570
  C      -3.747166      0.666257      8.210312
  C      -2.243847      0.456446      8.209274
  N      -1.566244      1.710492      7.742015
  C      -0.193066      1.433010      7.240144
  C      -0.298009      0.619634      5.960039
  C      -1.515637      2.719923      8.847372
  C      -1.658146      4.093390      8.223042
  N      -2.744729      3.974197      7.278219
  H       0.575686      0.833169      5.313124
  H      -0.263758     -0.468654      6.172925
  H       0.274935      2.405854      7.042190
  H       0.394064      0.913666      8.015388
  H      -1.873580      4.845104      8.999664
  H      -0.721589      4.403022      7.718231
  H      -2.373500      2.537182      9.506049
  H      -0.587469      2.586264      9.424376
  H      -4.242322     -0.313467      8.346882
  H      -4.063205      1.295474      9.063347
  H      -1.984296     -0.341116      7.504796
  H      -1.863332      0.186740      9.207527
  C      -4.866497     -1.984460     -2.399810
  C      -5.452756     -0.949313     -1.480624
  O      -6.524725     -0.414329     -1.743530
  C      -4.732652     -0.540383     -0.210591
  C      -5.362192      0.447730      0.547121
  C      -4.831806      0.933513      1.741235
  O      -5.518989      1.895244      2.392189
  C      -3.599257      0.393181      2.220560
  C      -3.025700      0.850884      3.452451
  O      -3.613238      1.756645      4.141482
  C      -1.749238      0.354809      4.041319
  C      -2.960050     -0.607663      1.451487
  C      -3.497107     -1.072239      0.259911
  O      -2.865561     -2.036957     -0.471239
  C      -9.609084      9.099395      5.081805
  C      -9.013531      8.015000      4.233252
  O      -9.504613      7.761488      3.113273
  C      -7.864499      7.232787      4.721601
  C      -7.232806      7.522653      5.942289
  C      -6.161407      6.770938      6.407295
  O      -5.544463      7.051776      7.591768
  C      -5.691890      5.664676      5.641770
  C      -4.614078      4.802046      6.083725
  O      -4.340706      3.751371      5.415262
  C      -3.743293      5.009529      7.272808
  C      -6.322535      5.373589      4.417251
  C      -7.385754      6.136088      3.941559
  O      -7.953381      5.806946      2.768928
  C     -11.574233      4.493380      3.533089
  C     -10.860730      4.946225      4.785357
  O     -11.207467      5.986922      5.336829
  C      -9.730446      4.140736      5.366487
  C      -9.288867      4.561257      6.626273
  C      -8.228170      3.950866      7.289527
  O      -7.852758      4.430944      8.491035
  C      -7.552637      2.861494      6.659226
  C      -6.367737      2.293982      7.306381
  O      -5.991520      2.714016      8.422715
  C      -5.535863      1.208430      6.617901
  C      -8.002564      2.432283      5.398990
  C      -9.069979      3.043355      4.745137
  O      -9.369409      2.522593      3.521051
  H      -3.867773     -1.679585     -2.744218
  H      -5.540115     -2.116712     -3.253119
  H      -4.727640     -2.938559     -1.871171
  H      -6.306243      0.851026      0.178411
  H      -4.995155      2.143754      3.196923
  H      -1.775341     -0.752225      4.119989
  H      -0.921980      0.587098      3.333094
  H      -2.014798     -1.029229      1.800631
  H      -2.041693     -2.290603     -0.016245
  H     -10.001530      8.667121      6.014948
  H      -8.856631      9.854483      5.353173
  H     -10.427515      9.576729      4.533522
  H      -7.593067      8.354465      6.550741
  H      -6.025948      7.774097      8.035742
  H      -3.306138      6.027423      7.251166
  H      -4.375928      4.989281      8.184450
  H      -5.976307      4.530087      3.822406
  H      -8.668076      6.519258      2.627923
  H     -10.922720      4.646223      2.652994
  H     -11.874017      3.435119      3.584344
  H     -12.464074      5.115430      3.387288
  H      -9.794894      5.406831      7.092122
  H      -7.066419      3.856512      8.761229
  H      -5.657454      1.284795      5.530389
  H      -5.972690      0.233045      6.916442
  H      -7.510182      1.613214      4.876333
  H     -10.018426      3.082423      3.059164
  N      -1.512518      3.517198      4.786148
  N      -1.052783      3.631765      3.676453
  H      -0.368518      4.418819      3.552244
95
Coordinates from ORCA-job orca E -6715.164815246027
  N      -1.549307      0.963432      5.322848
  Mo     -2.808380      2.430875      6.002798
  N      -4.135399      1.276546      6.954036
  C      -3.748663      0.666255      8.217469
  C      -2.244967      0.456909      8.214717
  N      -1.568412      1.709646      7.743281
  C      -0.196155      1.430852      7.240374
  C      -0.302190      0.616119      5.961240
  C      -1.516310      2.721634      8.845821
  C      -1.656774      4.093695      8.218085
  N      -2.745539      3.974025      7.275757
  H       0.570167      0.830283      5.312800
  H      -0.266757     -0.471830      6.175448
  H       0.272852      2.403014      7.041300
  H       0.391659      0.912173      8.015602
  H      -1.868633      4.848367      8.992771
  H      -0.720527      4.399124      7.710161
  H      -2.374145      2.542039      9.505461
  H      -0.588421      2.588162      9.423487
  H      -4.242659     -0.313805      8.355930
  H      -4.063899      1.295778      9.070702
  H      -1.986934     -0.342483      7.511667
  H      -1.862456      0.189986      9.212891
  C      -4.851842     -1.975953     -2.410477
  C      -5.444017     -0.947553     -1.487556
  O      -6.520728     -0.420411     -1.746829
  C      -4.726825     -0.539617     -0.215411
  C      -5.361353      0.443492      0.544526
  C      -4.833673      0.928123      1.740440
  O      -5.525053      1.885257      2.393573
  C      -3.599168      0.391435      2.218860
  C      -3.027883      0.848650      3.451887
  O      -3.620324      1.749425      4.143707
  C      -1.749039      0.357259      4.039218
  C      -2.955177     -0.604767      1.447859
  C      -3.489298     -1.068029      0.254425
  O      -2.853903     -2.028058     -0.479038
  C      -9.604213      9.104978      5.074352
  C      -9.012930      8.015779      4.229183
  O      -9.505675      7.759889      3.110391
  C      -7.865419      7.232359      4.719007
  C      -7.231920      7.523999      5.938361
  C      -6.161591      6.771400      6.404123
  O      -5.542745      7.054233      7.587327
  C      -5.694653      5.662101      5.641368
  C      -4.617545      4.799637      6.084533
  O      -4.346999      3.745931      5.419363
  C      -3.743439      5.009734      7.270558
  C      -6.327226      5.368956      4.418254
  C      -7.389316      6.132322      3.941714
  O      -7.958535      5.801160      2.770370
  C     -11.575460      4.495587      3.540215
  C     -10.860785      4.948961      4.791647
  O     -11.206612      5.990239      5.342527
  C      -9.731435      4.142535      5.373455
  C      -9.288460      4.564456      6.632331
  C      -8.227558      3.954362      7.295487
  O      -7.849892      4.436463      8.495375
  C      -7.553855      2.863061      6.666378
  C      -6.369771      2.294617      7.313876
  O      -5.991559      2.716700      8.428850
  C      -5.539833      1.206155      6.627748
  C      -8.005163      2.432368      5.407195
  C      -9.072511      3.043533      4.753227
  O      -9.372900      2.521661      3.529895
  H      -3.854718     -1.664503     -2.753590
  H      -5.524725     -2.108494     -3.264351
  H      -4.708086     -2.931431     -1.885645
  H      -6.306717      0.843853      0.176038
  H      -5.002725      2.133184      3.199600
  H      -1.766616     -0.750526      4.109314
  H      -0.923265      0.600784      3.332689
  H      -2.008939     -1.024258      1.796767
  H      -2.029851     -2.281172     -0.024064
  H      -9.997377      8.677807      6.009513
  H      -8.849056      9.858674      5.342087
  H     -10.421560      9.582795      4.524819
  H      -7.589753      8.358208      6.545017
  H      -6.021774      7.779353      8.029389
  H      -3.306105      6.027475      7.246390
  H      -4.374037      4.991391      8.183775
  H      -5.982890      4.523376      3.825227
  H      -8.672294      6.514362      2.628303
  H     -10.923207      4.643462      2.659857
  H     -11.879021      3.438473      3.594328
  H     -12.463130      5.120313      3.392732
  H      -9.793092      5.411303      7.097387
  H      -7.063555      3.861753      8.765448
  H      -5.663603      1.277292      5.540143
  H      -5.976229      0.232243      6.931503
  H      -7.514244      1.611972      4.885257
  H     -10.023804      3.079989      3.068833
  N      -1.519725      3.508848      4.779818
  N      -1.066741      3.612405      3.666065
  H      -0.380660      4.396155      3.531570
95
Coordinates from ORCA-job orca E -6715.164813108508
  N      -1.548400      0.961891      5.324647
  Mo     -2.809088      2.428421      6.004456
  N      -4.134947      1.273469      6.956836
  C      -3.747386      0.663210      8.219853
  C      -2.243308      0.455835      8.216969
  N      -1.568503      1.709169      7.744853
  C      -0.195857      1.431472      7.242248
  C      -0.300694      0.616662      5.962993
  C      -1.517796      2.721677      8.846856
  C      -1.658440      4.093355      8.218458
  N      -2.747370      3.972698      7.276377
  H       0.571084      0.832291      5.314314
  H      -0.263475     -0.471234      6.177231
  H       0.272724      2.403958      7.043645
  H       0.392290      0.913261      8.017542
  H      -1.870191      4.848547      8.992664
  H      -0.722324      4.398669      7.710200
  H      -2.376229      2.542012      9.505709
  H      -0.590553      2.588891      9.425790
  H      -4.239924     -0.317619      8.357969
  H      -4.063149      1.292158      9.073371
  H      -1.984474     -0.343395      7.513985
  H      -1.860088      0.189853      9.215094
  C      -4.855144     -1.961652     -2.412140
  C      -5.447445     -0.936570     -1.485607
  O      -6.523408     -0.407449     -1.743970
  C      -4.729337     -0.531509     -0.213053
  C      -5.362901      0.450780      0.548735
  C      -4.833614      0.933587      1.744841
  O      -5.523367      1.890764      2.399525
  C      -3.598957      0.395010      2.221576
  C      -3.026677      0.849877      3.454866
  O      -3.617952      1.750271      4.148346
  C      -1.747859      0.356914      4.040649
  C      -2.956238     -0.600552      1.448630
  C      -3.491772     -1.061577      0.254962
  O      -2.857934     -2.020968     -0.480451
  C      -9.597470      9.107106      5.056240
  C      -9.007835      8.014121      4.215055
  O      -9.500006      7.755878      3.096497
  C      -7.862327      7.229961      4.708492
  C      -7.229979      7.523553      5.928051
  C      -6.161392      6.770570      6.397025
  O      -5.543505      7.055478      7.580344
  C      -5.694936      5.658796      5.637673
  C      -4.618850      4.796665      6.083690
  O      -4.348453      3.741254      5.420917
  C      -3.744695      5.008804      7.269192
  C      -6.326427      5.363483      4.414534
  C      -7.386816      6.127073      3.934704
  O      -7.954848      5.793685      2.763405
  C     -11.576058      4.493839      3.546758
  C     -10.863169      4.944488      4.800115
  O     -11.209907      5.984529      5.352887
  C      -9.733047      4.138103      5.380468
  C      -9.290153      4.558514      6.639909
  C      -8.228386      3.948579      7.301767
  O      -7.850600      4.429296      8.502160
  C      -7.553892      2.858822      6.670851
  C      -6.369398      2.290478      7.317398
  O      -5.990977      2.712000      8.432568
  C      -5.539582      1.202107      6.631249
  C      -8.005248      2.429484      5.411271
  C      -9.073378      3.040553      4.758469
  O      -9.373625      2.520037      3.534510
  H      -3.857699     -1.649274     -2.753503
  H      -5.527592     -2.090651     -3.266904
  H      -4.712117     -2.919204     -1.890924
  H      -6.308287      0.852140      0.181489
  H      -4.999432      2.136780      3.205307
  H      -1.765536     -0.750987      4.109681
  H      -0.922743      0.600657      3.333366
  H      -2.010592     -1.022138      1.796579
  H      -2.034215     -2.276392     -0.026172
  H      -9.992799      8.683987      5.992291
  H      -8.840856      9.859884      5.322473
  H     -10.412995      9.585060      4.504081
  H      -7.587248      8.359832      6.532204
  H      -6.021418      7.782984      8.019663
  H      -3.307025      6.026395      7.243129
  H      -4.375400      4.992800      8.182422
  H      -5.982372      4.515988      3.824050
  H      -8.667643      6.507549      2.618737
  H     -10.923024      4.644225      2.667419
  H     -11.879084      3.436412      3.598083
  H     -12.464007      5.118331      3.399944
  H      -9.795421      5.404152      7.106470
  H      -7.063665      3.854756      8.771013
  H      -5.663929      1.271593      5.543647
  H      -5.975455      0.228464      6.936628
  H      -7.513808      1.610345      4.887867
  H     -10.026722      3.077299      3.075286
  N      -1.522573      3.507241      4.779622
  N      -1.071208      3.607872      3.664855
  H      -0.387100      4.392779      3.527187
95
Coordinates from ORCA-job orca E -6715.164739088271
  N      -1.549100      0.959540      5.328309
  Mo     -2.811507      2.424950      6.008895
  N      -4.132779      1.268933      6.966005
  C      -3.741505      0.661054      8.228874
  C      -2.236957      0.457288      8.223154
  N      -1.566038      1.711355      7.747286
  C      -0.193518      1.435518      7.242550
  C      -0.298763      0.619246      5.964165
  C      -1.515545      2.726104      8.847185
  C      -1.658200      4.096372      8.216303
  N      -2.748605      3.972766      7.275938
  H       0.570669      0.836885      5.313056
  H      -0.257521     -0.468388      6.179223
  H       0.273132      2.408638      7.042444
  H       0.396971      0.919217      8.017322
  H      -1.869460      4.852898      8.989338
  H      -0.723304      4.402114      7.706156
  H      -2.373649      2.546828      9.506591
  H      -0.588114      2.595471      9.426355
  H      -4.231320     -0.320890      8.368616
  H      -4.056787      1.290535      9.082159
  H      -1.977591     -0.342267      7.520719
  H      -1.850942      0.193909      9.220892
  C      -4.866002     -1.939152     -2.413375
  C      -5.462964     -0.926452     -1.476221
  O      -6.539015     -0.396057     -1.731700
  C      -4.742285     -0.524611     -0.204191
  C      -5.376135      0.453413      0.562850
  C      -4.843762      0.933865      1.758773
  O      -5.532920      1.888188      2.418084
  C      -3.606147      0.395997      2.230143
  C      -3.031583      0.847799      3.463347
  O      -3.623117      1.744346      4.161385
  C      -1.749524      0.356640      4.043530
  C      -2.963575     -0.595382      1.451510
  C      -3.502120     -1.053403      0.258049
  O      -2.868683     -2.008968     -0.482597
  C      -9.609435      9.091266      5.056616
  C      -9.026906      7.990567      4.220771
  O      -9.528784      7.721998      3.108893
  C      -7.877368      7.210998      4.712252
  C      -7.238661      7.513242      5.926547
  C      -6.166875      6.764505      6.394763
  O      -5.543482      7.057051      7.573409
  C      -5.702708      5.648922      5.639818
  C      -4.624118      4.790327      6.086213
  O      -4.354055      3.732201      5.427098
  C      -3.746962      5.007953      7.268384
  C      -6.340056      5.345110      4.421873
  C      -7.404564      6.103563      3.942983
  O      -7.978496      5.761155      2.777216
  C     -11.533333      4.517655      3.515071
  C     -10.831247      4.960925      4.776966
  O     -11.175124      6.003736      5.326578
  C      -9.710552      4.147684      5.365918
  C      -9.272190      4.567650      6.627143
  C      -8.218044      3.952372      7.296153
  O      -7.843404      4.433281      8.497499
  C      -7.546745      2.857453      6.671033
  C      -6.367423      2.285756      7.323551
  O      -5.989877      2.710631      8.437815
  C      -5.537797      1.194512      6.642266
  C      -7.994474      2.427820      5.410316
  C      -9.055295      3.043906      4.750383
  O      -9.352894      2.521403      3.526590
  H      -3.868953     -1.619998     -2.749674
  H      -5.536716     -2.060886     -3.270553
  H      -4.720962     -2.901952     -1.902507
  H      -6.323778      0.853302      0.200001
  H      -5.005710      2.132051      3.222673
  H      -1.762980     -0.751351      4.110492
  H      -0.928245      0.604524      3.333107
  H      -2.016631     -1.017192      1.795585
  H      -2.043743     -2.265351     -0.031123
  H     -10.000065      8.676609      5.998378
  H      -8.850125      9.844907      5.312429
  H     -10.427430      9.566023      4.505293
  H      -7.593934      8.352659      6.527508
  H      -6.019296      7.787298      8.010399
  H      -3.310522      6.025962      7.237477
  H      -4.374901      4.994814      8.183559
  H      -5.998158      4.494049      3.835284
  H      -8.693880      6.472748      2.632122
  H     -10.869641      4.664088      2.643090
  H     -11.845146      3.462558      3.561997
  H     -12.414947      5.148962      3.359463
  H      -9.774358      5.417652      7.089093
  H      -7.061542      3.854323      8.771503
  H      -5.662429      1.257964      5.554379
  H      -5.973140      0.222394      6.953292
  H      -7.505169      1.604792      4.891054
  H     -10.002964      3.079418      3.064052
  N      -1.529681      3.502635      4.775561
  N      -1.086569      3.591332      3.656254
  H      -0.404884      4.376038      3.505732
95
Coordinates from ORCA-job orca E -6715.164798566409
  N      -1.546159      0.970732      5.320443
  Mo     -2.807935      2.433994      6.004525
  N      -4.133157      1.273467      6.950160
  C      -3.745499      0.658625      8.211248
  C      -2.241428      0.453496      8.208373
  N      -1.568266      1.710444      7.742600
  C      -0.194268      1.437647      7.239543
  C      -0.297074      0.627480      5.957084
  C      -1.520331      2.718301      8.849283
  C      -1.662423      4.092481      8.226882
  N      -2.748834      3.974098      7.281279
  H       0.574062      0.847062      5.308891
  H      -0.256546     -0.461182      6.167121
  H       0.271661      2.412157      7.044696
  H       0.394561      0.917797      8.013143
  H      -1.878221      4.843223      9.004347
  H      -0.725910      4.403727      7.723064
  H      -2.379902      2.534186      9.505395
  H      -0.593838      2.584279      9.429032
  H      -4.237341     -0.323200      8.344329
  H      -4.062115      1.284524      9.066533
  H      -1.979885     -0.341506      7.501675
  H      -1.858884      0.183164      9.205647
  C      -4.851874     -1.975499     -2.411343
  C      -5.451003     -0.956897     -1.481949
  O      -6.530195     -0.433811     -1.739349
  C      -4.733270     -0.547085     -0.210935
  C      -5.372257      0.430819      0.552154
  C      -4.843356      0.918241      1.746656
  O      -5.538159      1.871298      2.402119
  C      -3.603556      0.388174      2.221343
  C      -3.032965      0.846393      3.453992
  O      -3.629834      1.742528      4.147454
  C      -1.751057      0.359493      4.039206
  C      -2.955794     -0.602964      1.446634
  C      -3.491274     -1.068080      0.254580
  O      -2.852130     -2.023712     -0.481617
  C      -9.601959      9.106518      5.064269
  C      -9.010047      8.015392      4.222340
  O      -9.502360      7.756134      3.104088
  C      -7.863411      7.232552      4.715275
  C      -7.232403      7.525166      5.935884
  C      -6.163297      6.772717      6.404648
  O      -5.546845      7.055968      7.589004
  C      -5.695182      5.663129      5.643322
  C      -4.618721      4.800619      6.088263
  O      -4.346314      3.747367      5.422739
  C      -3.746521      5.010229      7.275636
  C      -6.325260      5.369038      4.419299
  C      -7.386500      6.131777      3.939793
  O      -7.953753      5.799718      2.767807
  C     -11.567180      4.505495      3.539819
  C     -10.856041      4.952766      4.795151
  O     -11.201685      5.992908      5.348790
  C      -9.727461      4.144337      5.375579
  C      -9.284928      4.562896      6.635733
  C      -8.225209      3.950166      7.298315
  O      -7.848761      4.428762      8.500088
  C      -7.551622      2.860164      6.666856
  C      -6.367193      2.290466      7.312434
  O      -5.989533      2.708409      8.429213
  C      -5.537631      1.203989      6.623519
  C      -8.002875      2.432808      5.406565
  C      -9.069507      3.045956      4.753396
  O      -9.369767      2.526378      3.528981
  H      -3.856261     -1.655643     -2.751166
  H      -5.522891     -2.106670     -3.266868
  H      -4.702895     -2.933465     -1.892547
  H      -6.321582      0.824858      0.187242
  H      -5.013021      2.120700      3.206283
  H      -1.767580     -0.747865      4.115675
  H      -0.928893      0.598737      3.327240
  H      -2.006900     -1.018464      1.793104
  H      -2.026008     -2.272962     -0.028312
  H     -10.000291      8.680729      5.997859
  H      -8.846491      9.858707      5.335222
  H     -10.415841      9.585721      4.510758
  H      -7.591328      8.359852      6.541179
  H      -6.025607      7.782268      8.029361
  H      -3.308777      6.027894      7.251252
  H      -4.377814      4.993078      8.188297
  H      -5.980153      4.522658      3.827894
  H      -8.667654      6.512851      2.624640
  H     -10.912362      4.656478      2.661933
  H     -11.872389      3.448612      3.589063
  H     -12.453918      5.131598      3.392396
  H      -9.789280      5.408947      7.102535
  H      -7.063286      3.852572      8.769510
  H      -5.660089      1.277806      5.536022
  H      -5.975059      0.229716      6.925014
  H      -7.511889      1.613694      4.882667
  H     -10.021553      3.085099      3.069683
  N      -1.520404      3.518885      4.784490
  N      -1.070383      3.619693      3.669190
  H      -0.388612      4.406505      3.530494
95
Coordinates from ORCA-job orca E -6715.164501088703
  N      -1.553258      0.959125      5.323825
  Mo     -2.809916      2.428563      6.003518
  N      -4.138883      1.277589      6.956040
  C      -3.753223      0.669758      8.221285
  C      -2.250217      0.456318      8.218514
  N      -1.570566      1.706573      7.744710
  C      -0.199634      1.423084      7.241986
  C      -0.308929      0.606025      5.964664
  C      -1.515154      2.719722      8.846062
  C      -1.654432      4.091362      8.217145
  N      -2.743509      3.972440      7.275175
  H       0.565441      0.814890      5.317154
  H      -0.278974     -0.481649      6.180647
  H       0.271958      2.393494      7.040693
  H       0.386654      0.904018      8.018142
  H      -1.865638      4.846607      8.991493
  H      -0.717980      4.395610      7.708824
  H      -2.372191      2.542227      9.507320
  H      -0.586468      2.585388      9.422129
  H      -4.250043     -0.308446      8.362874
  H      -4.066698      1.302357      9.072831
  H      -1.994390     -0.345333      7.517308
  H      -1.868325      0.190318      9.217184
  C      -4.846007     -1.985461     -2.412455
  C      -5.418411     -0.926733     -1.511648
  O      -6.480515     -0.378481     -1.786748
  C      -4.705858     -0.523269     -0.235364
  C      -5.322690      0.484995      0.505926
  C      -4.798028      0.967636      1.703667
  O      -5.473389      1.947657      2.339581
  C      -3.584683      0.404341      2.203100
  C      -3.015795      0.861188      3.437708
  O      -3.586763      1.791856      4.107208
  C      -1.754239      0.347561      4.042751
  C      -2.958211     -0.617304      1.451459
  C      -3.489201     -1.079529      0.256195
  O      -2.870293     -2.064223     -0.458702
  C      -9.604939      9.104220      5.075535
  C      -9.006697      8.020301      4.228059
  O      -9.495487      7.766180      3.107173
  C      -7.859634      7.237151      4.718503
  C      -7.227079      7.526984      5.938632
  C      -6.156584      6.773871      6.403472
  O      -5.538104      7.055039      7.587108
  C      -5.689508      5.665377      5.639272
  C      -4.613125      4.801802      6.082039
  O      -4.344897      3.747183      5.417751
  C      -3.737782      5.011712      7.267362
  C      -6.321611      5.374201      4.415398
  C      -7.383203      6.138759      3.939717
  O      -7.953106      5.809626      2.768119
  C     -11.614251      4.462883      3.569907
  C     -10.882186      4.934979      4.804436
  O     -11.224211      5.981383      5.347671
  C      -9.746336      4.135895      5.383785
  C      -9.294033      4.569327      6.635364
  C      -8.227813      3.965695      7.295984
  O      -7.843155      4.457430      8.489699
  C      -7.557464      2.869703      6.671110
  C      -6.368943      2.306116      7.315272
  O      -5.987356      2.731782      8.427674
  C      -5.544026      1.211588      6.631913
  C      -8.017178      2.428387      5.418608
  C      -9.090129      3.032943      4.767584
  O      -9.398070      2.501856      3.550203
  H      -3.837786     -1.706567     -2.751000
  H      -5.514576     -2.113526     -3.270393
  H      -4.732844     -2.935935     -1.871236
  H      -6.252318      0.906625      0.121247
  H      -4.957762      2.188890      3.151598
  H      -1.796654     -0.759135      4.121177
  H      -0.916052      0.568151      3.343631
  H      -2.026864     -1.056303      1.816094
  H      -2.058689     -2.333383      0.009275
  H     -10.003553      8.670557      6.005546
  H      -8.852802      9.857479      5.352631
  H     -10.419715      9.583959      4.523924
  H      -7.585325      8.360260      6.546295
  H      -6.017656      7.779252      8.030168
  H      -3.296617      6.027718      7.239653
  H      -4.367338      4.998176      8.181301
  H      -5.977319      4.529571      3.821134
  H      -8.667707      6.521856      2.628357
  H     -10.974104      4.597540      2.678654
  H     -11.916803      3.406655      3.643812
  H     -12.503996      5.085313      3.425341
  H      -9.796485      5.419300      7.097077
  H      -7.055322      3.884855      8.760130
  H      -5.669599      1.280185      5.544281
  H      -5.983270      0.240024      6.939043
  H      -7.529151      1.604063      4.900073
  H     -10.050591      3.057633      3.088224
  N      -1.519017      3.503388      4.779259
  N      -1.066552      3.605600      3.665235
  H      -0.373803      4.383464      3.531082
95
Coordinates from ORCA-job orca E -6715.164796666731
  N      -1.549062      0.958913      5.326931
  Mo     -2.809312      2.427040      6.004709
  N      -4.136241      1.275011      6.958490
  C      -3.749064      0.665438      8.222121
  C      -2.245246      0.456198      8.218885
  N      -1.569255      1.708586      7.745635
  C      -0.196575      1.429688      7.243846
  C      -0.301503      0.614006      5.965366
  C      -1.517747      2.721750      8.846979
  C      -1.656510      4.092882      8.217188
  N      -2.745086      3.972600      7.274627
  H       0.570440      0.828910      5.316521
  H      -0.264369     -0.473828      6.180243
  H       0.272477      2.401769      7.044537
  H       0.390793      0.911661      8.019822
  H      -1.867859      4.848941      8.990666
  H      -0.719916      4.396871      7.709096
  H      -2.376913      2.543543      9.505230
  H      -0.590933      2.588202      9.426351
  H      -4.242898     -0.314612      8.360997
  H      -4.063963      1.295590      9.075032
  H      -1.987379     -0.343598      7.516247
  H      -1.862046      0.190508      9.217101
  C      -4.854209     -1.952096     -2.414006
  C      -5.448559     -0.931741     -1.483578
  O      -6.530722     -0.411716     -1.734386
  C      -4.729958     -0.528532     -0.210765
  C      -5.365775      0.448605      0.555766
  C      -4.836523      0.928822      1.752832
  O      -5.529355      1.880119      2.412825
  C      -3.599001      0.393608      2.225338
  C      -3.025583      0.847434      3.458591
  O      -3.618805      1.742641      4.156884
  C      -1.745100      0.356957      4.041385
  C      -2.954228     -0.597096      1.447926
  C      -3.489960     -1.055885      0.253493
  O      -2.853762     -2.010486     -0.486304
  C      -9.595705      9.107341      5.063686
  C      -9.005155      8.017566      4.218806
  O      -9.497175      7.763363      3.099233
  C      -7.859298      7.232425      4.709937
  C      -7.227572      7.523582      5.930398
  C      -6.158939      6.770011      6.398237
  O      -5.541949      7.052075      7.582598
  C      -5.691999      5.659832      5.636908
  C      -4.616457      4.796930      6.082624
  O      -4.346786      3.740892      5.420523
  C      -3.742345      5.008747      7.268191
  C      -6.322677      5.366902      4.412834
  C      -7.382932      6.131324      3.933814
  O      -7.950026      5.799686      2.761629
  C     -11.584207      4.481684      3.544533
  C     -10.863532      4.942127      4.789879
  O     -11.206104      5.987085      5.335909
  C      -9.734128      4.136950      5.373143
  C      -9.286227      4.565711      6.628042
  C      -8.224279      3.957744      7.291411
  O      -7.841223      4.446329      8.487027
  C      -7.554511      2.861698      6.666785
  C      -6.370313      2.294965      7.315183
  O      -5.990081      2.722752      8.427302
  C      -5.540883      1.203928      6.632597
  C      -8.010476      2.424249      5.411665
  C      -9.079262      3.032870      4.757584
  O      -9.384640      2.503606      3.538678
  H      -3.859217     -1.634383     -2.757525
  H      -5.528534     -2.082571     -3.267044
  H      -4.705284     -2.910059     -1.895132
  H      -6.313358      0.847716      0.191704
  H      -5.006082      2.123933      3.219635
  H      -1.757538     -0.751191      4.106715
  H      -0.921339      0.607472      3.334840
  H      -2.006111     -1.015772      1.792597
  H      -2.028595     -2.264678     -0.033983
  H      -9.991947      8.680527      5.997728
  H      -8.839353      9.859043      5.333606
  H     -10.410712      9.587500      4.512700
  H      -7.585558      8.358325      6.536237
  H      -6.020122      7.778595      8.023253
  H      -3.304497      6.026225      7.242466
  H      -4.372967      4.992304      8.181479
  H      -5.978201      4.520722      3.820817
  H      -8.663483      6.513156      2.617919
  H     -10.934694      4.620405      2.660732
  H     -11.891435      3.426125      3.608240
  H     -12.470396      5.108146      3.395540
  H      -9.787632      5.416393      7.089548
  H      -7.054434      3.872470      8.757157
  H      -5.664671      1.270266      5.544698
  H      -5.977578      0.231617      6.940897
  H      -7.522896      1.599672      4.893222
  H     -10.038402      3.058474      3.077466
  N      -1.522715      3.503668      4.776409
  N      -1.073821      3.597434      3.659888
  H      -0.385475      4.377699      3.517571
95
Coordinates from ORCA-job orca E -6715.164689703856
  N      -1.545663      0.979791      5.316130
  Mo     -2.811064      2.436574      6.006880
  N      -4.130793      1.266976      6.948909
  C      -3.739696      0.649833      8.207851
  C      -2.234954      0.451446      8.203464
  N      -1.567538      1.712875      7.741035
  C      -0.192857      1.446839      7.235347
  C      -0.294259      0.640009      5.950380
  C      -1.522685      2.717772      8.850725
  C      -1.669701      4.093472      8.232916
  N      -2.755392      3.974275      7.286188
  H       0.575102      0.864624      5.301652
  H      -0.248886     -0.449094      6.157067
  H       0.268945      2.423824      7.043014
  H       0.398957      0.926976      8.006646
  H      -1.889140      4.840495      9.012992
  H      -0.734318      4.411223      7.731095
  H      -2.381751      2.528764      9.506126
  H      -0.595867      2.585159      9.430278
  H      -4.227384     -0.334447      8.337837
  H      -4.058018      1.272359      9.064953
  H      -1.969841     -0.340094      7.494212
  H      -1.850827      0.179650      9.199753
  C      -4.851152     -1.987362     -2.410440
  C      -5.452376     -0.968442     -1.482669
  O      -6.524706     -0.435954     -1.749391
  C      -4.735163     -0.554286     -0.212822
  C      -5.371467      0.431148      0.542870
  C      -4.842227      0.924213      1.735062
  O      -5.532242      1.887105      2.381161
  C      -3.605812      0.390625      2.216195
  C      -3.037791      0.850851      3.449192
  O      -3.634076      1.751984      4.136269
  C      -1.757932      0.361137      4.038838
  C      -2.960626     -0.607466      1.448150
  C      -3.496199     -1.077410      0.258050
  O      -2.859750     -2.040517     -0.470835
  C      -9.607566      9.104327      5.052329
  C      -9.020161      8.004248      4.219080
  O      -9.515889      7.735455      3.104588
  C      -7.872707      7.224578      4.714789
  C      -7.239778      7.523076      5.933075
  C      -6.170093      6.772663      6.403824
  O      -5.551465      7.061611      7.585662
  C      -5.703289      5.659715      5.646592
  C      -4.625745      4.799212      6.092699
  O      -4.352037      3.745631      5.427940
  C      -3.752215      5.011550      7.278650
  C      -6.335465      5.359850      4.425055
  C      -7.397566      6.120268      3.943746
  O      -7.965991      5.784741      2.773371
  C     -11.534493      4.538536      3.533385
  C     -10.840244      4.965777      4.804895
  O     -11.189258      6.000272      5.367157
  C      -9.716354      4.150514      5.384843
  C      -9.281685      4.556399      6.651812
  C      -8.226754      3.936438      7.315271
  O      -7.860467      4.401299      8.525532
  C      -7.548564      2.853247      6.676545
  C      -6.364647      2.279724      7.319712
  O      -5.986502      2.690849      8.438913
  C      -5.535826      1.196806      6.624971
  C      -7.993634      2.437292      5.410283
  C      -9.056464      3.056637      4.756890
  O      -9.352385      2.545919      3.527608
  H      -3.851707     -1.671242     -2.742507
  H      -5.516682     -2.113863     -3.270944
  H      -4.710118     -2.947033     -1.892634
  H      -6.318228      0.827110      0.173487
  H      -5.004427      2.141662      3.182214
  H      -1.782854     -0.745425      4.124779
  H      -0.934937      0.587317      3.323800
  H      -2.014880     -1.026059      1.799577
  H      -2.035997     -2.290795     -0.013811
  H     -10.010854      8.686319      5.987314
  H      -8.849146      9.854286      5.320998
  H     -10.417638      9.584095      4.493695
  H      -7.597655      8.360602      6.535018
  H      -6.028915      7.790453      8.023221
  H      -3.313413      6.028787      7.249601
  H      -4.381481      4.998815      8.192551
  H      -5.991275      4.510724      3.836910
  H      -8.678477      6.498948      2.628030
  H     -10.868227      4.702650      2.666464
  H     -11.840744      3.481214      3.562595
  H     -12.419076      5.167225      3.383919
  H      -9.788942      5.397765      7.123899
  H      -7.080282      3.818647      8.796994
  H      -5.660158      1.274579      5.537972
  H      -5.972048      0.221099      6.923755
  H      -7.499492      1.623304      4.881271
  H     -10.005099      3.106127      3.071530
  N      -1.526578      3.529087      4.786896
  N      -1.083148      3.625119      3.668542
  H      -0.406764      4.415233      3.521726
95
Coordinates from ORCA-job orca E -6715.164824093436
  N      -1.547930      0.965310      5.323594
  Mo     -2.810044      2.429549      6.005389
  N      -4.135048      1.271839      6.954747
  C      -3.746998      0.659403      8.216842
  C      -2.242875      0.453713      8.213655
  N      -1.569526      1.709232      7.744413
  C      -0.195998      1.434591      7.241812
  C      -0.299403      0.621854      5.961123
  C      -1.520633      2.719545      8.848710
  C      -1.661666      4.092310      8.222977
  N      -2.748742      3.972611      7.278373
  H       0.571987      0.839871      5.312663
  H      -0.259707     -0.466428      6.173232
  H       0.270722      2.408311      7.044993
  H       0.392503      0.915875      8.016450
  H      -1.876156      4.845265      8.998656
  H      -0.725136      4.400951      7.717580
  H      -2.380155      2.537768      9.505527
  H      -0.594112      2.586080      9.428541
  H      -4.238977     -0.322022      8.352411
  H      -4.063247      1.286926      9.071133
  H      -1.982346     -0.343229      7.508768
  H      -1.859709      0.185811      9.211318
  C      -4.848697     -1.963510     -2.415295
  C      -5.444983     -0.942419     -1.486849
  O      -6.523273     -0.417417     -1.743991
  C      -4.727948     -0.536317     -0.214139
  C      -5.363438      0.444782      0.547680
  C      -4.835200      0.928668      1.743806
  O      -5.527065      1.884358      2.398527
  C      -3.599509      0.392332      2.220964
  C      -3.028674      0.848145      3.454582
  O      -3.621197      1.748376      4.146633
  C      -1.749677      0.356504      4.041357
  C      -2.955126     -0.602126      1.447898
  C      -3.489850     -1.064168      0.254285
  O      -2.854044     -2.022906     -0.480662
  C      -9.601712      9.102863      5.056240
  C      -9.011485      8.009242      4.216208
  O      -9.505224      7.748091      3.099006
  C      -7.864681      7.226980      4.709436
  C      -7.230828      7.523378      5.927606
  C      -6.161007      6.772054      6.396483
  O      -5.541571      7.059282      7.578308
  C      -5.695035      5.659410      5.638142
  C      -4.618787      4.797655      6.084535
  O      -4.348063      3.741942      5.422268
  C      -3.744941      5.010036      7.270241
  C      -6.327894      5.361535      4.416429
  C      -7.389884      6.123134      3.936807
  O      -7.960324      5.786559      2.767663
  C     -11.571969      4.504973      3.548821
  C     -10.857680      4.953875      4.801915
  O     -11.202085      5.994578      5.355070
  C      -9.729411      4.144782      5.381993
  C      -9.285384      4.563901      6.641464
  C      -8.224910      3.951467      7.303065
  O      -7.845975      4.431305      8.503535
  C      -7.552451      2.860801      6.671614
  C      -6.368395      2.290441      7.317291
  O      -5.991308      2.707744      8.434471
  C      -5.539855      1.202271      6.629410
  C      -8.004998      2.432831      5.411996
  C      -9.072264      3.045905      4.759667
  O      -9.373739      2.526054      3.535715
  H      -3.851313     -1.647930     -2.753852
  H      -5.519228     -2.091989     -3.271617
  H      -4.704479     -2.922076     -1.896231
  H      -6.309725      0.844102      0.180540
  H      -5.003829      2.130281      3.204860
  H      -1.768461     -0.751058      4.115081
  H      -0.925098      0.596336      3.332287
  H      -2.008850     -1.022014      1.796212
  H      -2.030439     -2.276990     -0.025449
  H     -10.000235      8.679486      5.990889
  H      -8.845139      9.854616      5.325253
  H     -10.415280      9.581993      4.502218
  H      -7.587927      8.360421      6.530747
  H      -6.018883      7.787549      8.017006
  H      -3.305898      6.027043      7.242434
  H      -4.375248      4.996283      8.183650
  H      -5.984627      4.512843      3.827261
  H      -8.675488      6.498293      2.624147
  H     -10.918131      4.651859      2.669529
  H     -11.879632      3.448923      3.601445
  H     -12.457498      5.132712      3.401178
  H      -9.788654      5.410653      7.108153
  H      -7.059099      3.856390      8.771387
  H      -5.663675      1.273792      5.541868
  H      -5.977070      0.228747      6.933387
  H      -7.515030      1.613033      4.888212
  H     -10.026991      3.083891      3.077374
  N      -1.523974      3.511853      4.779914
  N      -1.076892      3.605595      3.662717
  H      -0.395104      4.391150      3.517455
95
Coordinates from ORCA-job orca E -6715.164812283668
  N      -1.551162      0.962548      5.325767
  Mo     -2.811832      2.428291      6.007670
  N      -4.135836      1.273089      6.961373
  C      -3.746248      0.662797      8.224003
  C      -2.242292      0.455658      8.218528
  N      -1.568684      1.709590      7.745739
  C      -0.196243      1.432941      7.241601
  C      -0.302097      0.618828      5.962080
  C      -1.517039      2.721517      8.848323
  C      -1.657572      4.093302      8.220511
  N      -2.746551      3.973142      7.278168
  H       0.568530      0.835702      5.312184
  H      -0.262851     -0.469260      6.175266
  H       0.271276      2.405900      7.042944
  H       0.392790      0.914590      8.016083
  H      -1.869684      4.847882      8.995250
  H      -0.721656      4.399777      7.712699
  H      -2.375748      2.541736      9.506753
  H      -0.589779      2.587984      9.426967
  H      -4.238652     -0.318060      8.362150
  H      -4.060796      1.291905      9.077739
  H      -1.983910     -0.342862      7.514635
  H      -1.857511      0.189352      9.215984
  C      -4.852730     -1.954402     -2.416429
  C      -5.449577     -0.935875     -1.485558
  O      -6.528927     -0.412041     -1.740576
  C      -4.731854     -0.531113     -0.212794
  C      -5.366819      0.449208      0.550422
  C      -4.837943      0.931698      1.746804
  O      -5.529011      1.887192      2.402614
  C      -3.602141      0.394779      2.222662
  C      -3.030395      0.849377      3.456352
  O      -3.623602      1.747003      4.151276
  C      -1.750804      0.357912      4.041457
  C      -2.958241     -0.598919      1.448271
  C      -3.493522     -1.059601      0.254371
  O      -2.858288     -2.017594     -0.481979
  C      -9.593405      9.113095      5.063651
  C      -9.005421      8.019428      4.222110
  O      -9.502544      7.758032      3.106428
  C      -7.859167      7.235297      4.713660
  C      -7.226299      7.527784      5.933262
  C      -6.158495      6.773433      6.401768
  O      -5.540044      7.056781      7.585062
  C      -5.693919      5.661176      5.641987
  C      -4.618631      4.797929      6.087670
  O      -4.349891      3.741201      5.426082
  C      -3.742629      5.010566      7.271676
  C      -6.325717      5.367167      4.418770
  C      -7.384777      6.132676      3.938852
  O      -7.951742      5.802016      2.766348
  C     -11.574920      4.479173      3.536583
  C     -10.858255      4.938940      4.784413
  O     -11.199875      5.985749      5.327659
  C      -9.730513      4.133609      5.370678
  C      -9.284156      4.563886      6.625589
  C      -8.224441      3.955382      7.292046
  O      -7.845328      4.443598      8.489070
  C      -7.554169      2.858160      6.669741
  C      -6.369970      2.292245      7.318952
  O      -5.986454      2.724441      8.428256
  C      -5.540790      1.200799      6.637033
  C      -8.009033      2.419032      5.414819
  C      -9.076384      3.027399      4.758246
  O      -9.380749      2.495996      3.540031
  H      -3.855665     -1.637423     -2.754607
  H      -5.523478     -2.081517     -3.272787
  H      -4.707733     -2.914014     -1.899507
  H      -6.313159      0.849179      0.184115
  H      -5.005115      2.132769      3.208570
  H      -1.766541     -0.749960      4.110643
  H      -0.926731      0.603063      3.333515
  H      -2.011770     -1.019169      1.795594
  H      -2.034557     -2.272529     -0.027471
  H      -9.990305      8.689583      5.998933
  H      -8.835877      9.864360      5.331362
  H     -10.407829      9.592839      4.511425
  H      -7.582926      8.363852      6.538041
  H      -6.016296      7.785247      8.024584
  H      -3.303466      6.027449      7.242967
  H      -4.371342      4.997010      8.186264
  H      -5.982541      4.519839      3.827642
  H      -8.661540      6.518724      2.620813
  H     -10.921843      4.615885      2.655112
  H     -11.884623      3.424316      3.600119
  H     -12.459342      5.107219      3.383765
  H      -9.785802      5.415475      7.085175
  H      -7.062286      3.866620      8.763725
  H      -5.665443      1.265748      5.549184
  H      -5.976847      0.228692      6.947038
  H      -7.521134      1.593482      4.898197
  H     -10.034212      3.050068      3.077456
  N      -1.527797      3.507763      4.776644
  N      -1.084357      3.596221      3.657487
  H      -0.399958      4.378555      3.507410
95
Coordinates from ORCA-job orca E -6715.164828002924
  N      -1.549852      0.963376      5.324675
  Mo     -2.811846      2.428007      6.006137
  N      -4.135958      1.271568      6.958031
  C      -3.746824      0.660450      8.220451
  C      -2.242753      0.454459      8.216038
  N      -1.569706      1.709366      7.744812
  C      -0.196596      1.434136      7.241579
  C      -0.300900      0.620419      5.961653
  C      -1.519821      2.720775      8.848035
  C      -1.660863      4.092866      8.220888
  N      -2.748637      3.972442      7.277142
  H       0.570017      0.838145      5.312440
  H      -0.260932     -0.467718      6.174444
  H       0.270130      2.407613      7.043605
  H       0.392296      0.915984      8.016297
  H      -1.874620      4.846719      8.995890
  H      -0.724631      4.400647      7.714454
  H      -2.378987      2.539955      9.505584
  H      -0.592955      2.587631      9.427386
  H      -4.238811     -0.320766      8.357498
  H      -4.062321      1.288830      9.074379
  H      -1.983084     -0.343284      7.511741
  H      -1.858652      0.187622      9.213623
  C      -4.846547     -1.959104     -2.417885
  C      -5.444559     -0.940682     -1.487637
  O      -6.524260     -0.417855     -1.743247
  C      -4.727687     -0.534894     -0.214737
  C      -5.363661      0.445348      0.547762
  C      -4.835699      0.928728      1.744181
  O      -5.527793      1.884018      2.399239
  C      -3.599766      0.392813      2.220928
  C      -3.029028      0.848140      3.454816
  O      -3.623054      1.745918      4.148795
  C      -1.749373      0.357526      4.040797
  C      -2.954841     -0.600765      1.447226
  C      -3.489264     -1.062335      0.253289
  O      -2.853009     -2.020329     -0.482243
  C      -9.598367      9.107013      5.056194
  C      -9.009247      8.012784      4.216127
  O      -9.501250      7.754471      3.097487
  C      -7.863799      7.228755      4.709686
  C      -7.231360      7.522877      5.929126
  C      -6.162654      6.770148      6.398249
  O      -5.544557      7.055157      7.581304
  C      -5.696459      5.658221      5.638973
  C      -4.620345      4.796238      6.085160
  O      -4.350204      3.739978      5.423476
  C      -3.745337      5.009380      7.269869
  C      -6.328205      5.362285      4.416194
  C      -7.388816      6.125574      3.936141
  O      -7.957421      5.791593      2.765379
  C     -11.571528      4.499512      3.547095
  C     -10.857043      4.951124      4.799129
  O     -11.200856      5.993375      5.349686
  C      -9.729256      4.142802      5.381161
  C      -9.283521      4.565987      6.638681
  C      -8.223526      3.954321      7.301773
  O      -7.844037      4.436855      8.500989
  C      -7.552875      2.860677      6.673566
  C      -6.368621      2.291513      7.319893
  O      -5.987579      2.715079      8.433361
  C      -5.541028      1.201321      6.634041
  C      -8.007284      2.428501      5.416060
  C      -9.074473      3.040433      4.762540
  O      -9.378595      2.515646      3.541378
  H      -3.849478     -1.641610     -2.755562
  H      -5.516711     -2.086925     -3.274595
  H      -4.701249     -2.918460     -1.900570
  H      -6.310121      0.844495      0.180862
  H      -5.004498      2.130296      3.205373
  H      -1.765180     -0.750259      4.111217
  H      -0.925110      0.601895      3.332843
  H      -2.008259     -1.020227      1.795219
  H      -2.029322     -2.274380     -0.027160
  H      -9.999549      8.683560      5.989673
  H      -8.840539      9.856729      5.327347
  H     -10.409860      9.588598      4.501265
  H      -7.588616      8.359345      6.532975
  H      -6.021832      7.783218      8.020389
  H      -3.306710      6.026515      7.241353
  H      -4.374618      4.995518      8.184010
  H      -5.984544      4.514442      3.826059
  H      -8.671144      6.504708      2.621490
  H     -10.917586      4.643731      2.667441
  H     -11.879740      3.443761      3.602472
  H     -12.456700      5.127359      3.397819
  H      -9.785440      5.414935      7.102830
  H      -7.059562      3.859960      8.771646
  H      -5.665971      1.270024      5.546442
  H      -5.977970      0.228647      6.941059
  H      -7.519016      1.605967      4.894977
  H     -10.032412      3.071914      3.081946
  N      -1.527368      3.508947      4.776495
  N      -1.083400      3.597482      3.657566
  H      -0.400036      4.380737      3.507493
95
Coordinates from ORCA-job orca E -6715.164823509210
  N      -1.549385      0.963958      5.325007
  Mo     -2.811072      2.428500      6.006900
  N      -4.135616      1.271855      6.957850
  C      -3.747006      0.660012      8.220071
  C      -2.242921      0.454013      8.216039
  N      -1.569629      1.709099      7.745483
  C      -0.196362      1.433886      7.242403
  C      -0.300479      0.620798      5.961996
  C      -1.519909      2.720063      8.849172
  C      -1.660296      4.092470      8.222600
  N      -2.747722      3.972683      7.278341
  H       0.570488      0.838713      5.312943
  H      -0.260503     -0.467438      6.174301
  H       0.270544      2.407413      7.045068
  H       0.392287      0.915281      8.016996
  H      -1.874243      4.846011      8.997863
  H      -0.723779      4.400433      7.716796
  H      -2.379510      2.539211      9.506139
  H      -0.593400      2.586347      9.428968
  H      -4.239087     -0.321263      8.356291
  H      -4.062700      1.288079      9.074166
  H      -1.983006     -0.343379      7.511427
  H      -1.859108      0.186711      9.213608
  C      -4.846953     -1.956256     -2.418576
  C      -5.445525     -0.939083     -1.487308
  O      -6.525100     -0.415960     -1.742868
  C      -4.728807     -0.534047     -0.214101
  C      -5.364848      0.445930      0.548711
  C      -4.836836      0.928925      1.745312
  O      -5.529096      1.883784      2.400838
  C      -3.600867      0.392671      2.221974
  C      -3.030204      0.847626      3.455969
  O      -3.623399      1.746712      4.148940
  C      -1.750699      0.356408      4.042080
  C      -2.956032     -0.600751      1.447958
  C      -3.490525     -1.061837      0.253870
  O      -2.854386     -2.019754     -0.481865
  C      -9.598959      9.105128      5.056505
  C      -9.010518      8.009872      4.217364
  O      -9.508445      7.744705      3.102951
  C      -7.863128      7.228077      4.709931
  C      -7.228251      7.525131      5.927417
  C      -6.158715      6.773424      6.396284
  O      -5.538647      7.060874      7.577719
  C      -5.694035      5.659764      5.638635
  C      -4.618179      4.797697      6.085264
  O      -4.348683      3.740858      5.424196
  C      -3.743138      5.010848      7.269911
  C      -6.327777      5.361347      4.417520
  C      -7.389397      6.123420      3.937794
  O      -7.959961      5.787117      2.768644
  C     -11.571823      4.498419      3.545443
  C     -10.857834      4.949778      4.797813
  O     -11.200808      5.992810      5.347491
  C      -9.730135      4.141490      5.380079
  C      -9.285159      4.564269      6.638010
  C      -8.224482      3.953487      7.300809
  O      -7.843970      4.437519      8.499105
  C      -7.552926      2.860565      6.672304
  C      -6.368525      2.291763      7.318687
  O      -5.991997      2.710078      8.435674
  C      -5.540482      1.201954      6.632843
  C      -8.006578      2.428805      5.414395
  C      -9.074045      3.040225      4.760864
  O      -9.376642      2.516499      3.538851
  H      -3.849648     -1.638328     -2.755149
  H      -5.516546     -2.082940     -3.275901
  H      -4.702033     -2.916301     -1.902439
  H      -6.311346      0.845106      0.181972
  H      -5.005983      2.129063      3.207462
  H      -1.768114     -0.751237      4.114529
  H      -0.926588      0.598069      3.333060
  H      -2.009676     -1.020676      1.796013
  H      -2.030942     -2.274269     -0.026604
  H      -9.995525      8.683531      5.992799
  H      -8.841920      9.857466      5.322498
  H     -10.413752      9.583086      4.503264
  H      -7.584659      8.362676      6.530269
  H      -6.015011      7.790004      8.016007
  H      -3.303338      6.027493      7.240422
  H      -4.372502      4.998711      8.183966
  H      -5.985314      4.512069      3.828717
  H      -8.673130      6.500671      2.623953
  H     -10.916974      4.641356      2.666253
  H     -11.881524      3.443113      3.601172
  H     -12.456125      5.127258      3.395142
  H      -9.787537      5.412900      7.102232
  H      -7.056615      3.863685      8.767833
  H      -5.664360      1.271398      5.545172
  H      -5.977935      0.229164      6.938812
  H      -7.517336      1.607116      4.892890
  H     -10.030871      3.072490      3.079673
  N      -1.526567      3.510322      4.777615
  N      -1.082775      3.598136      3.658562
  H      -0.402049      4.383428      3.507099
95
Coordinates from ORCA-job orca E -6715.164830503652
  N      -1.549925      0.963511      5.325086
  Mo     -2.811993      2.427878      6.006636
  N      -4.135976      1.271441      6.958530
  C      -3.746780      0.660144      8.220870
  C      -2.242687      0.454372      8.216408
  N      -1.569795      1.709415      7.745218
  C      -0.196621      1.434357      7.241964
  C      -0.300864      0.620723      5.961965
  C      -1.519987      2.720787      8.848517
  C      -1.660819      4.092897      8.221386
  N      -2.748391      3.972539      7.277372
  H       0.569963      0.838594      5.312689
  H      -0.260674     -0.467427      6.174650
  H       0.269971      2.407911      7.044047
  H       0.392302      0.916213      8.016659
  H      -1.874782      4.846706      8.996379
  H      -0.724470      4.400779      7.715236
  H      -2.379324      2.540020      9.505853
  H      -0.593232      2.587495      9.428005
  H      -4.238666     -0.321150      8.357673
  H      -4.062376      1.288401      9.074847
  H      -1.982890     -0.343246      7.512015
  H      -1.858514      0.187503      9.213956
  C      -4.845503     -1.956422     -2.419167
  C      -5.444591     -0.939752     -1.487693
  O      -6.525055     -0.418084     -1.742444
  C      -4.727954     -0.534471     -0.214510
  C      -5.364311      0.445151      0.548481
  C      -4.836565      0.928094      1.745177
  O      -5.529223      1.882538      2.400888
  C      -3.600424      0.392378      2.221684
  C      -3.029767      0.847500      3.455672
  O      -3.623568      1.745640      4.149351
  C      -1.749929      0.357072      4.041500
  C      -2.955204     -0.600675      1.447549
  C      -3.489453     -1.061822      0.253373
  O      -2.852919     -2.019385     -0.482507
  C      -9.598135      9.106550      5.054872
  C      -9.009397      8.011648      4.215425
  O      -9.504385      7.749838      3.098912
  C      -7.863286      7.228463      4.708766
  C      -7.229579      7.524254      5.927153
  C      -6.160658      6.771906      6.396400
  O      -5.541519      7.058333      7.578553
  C      -5.695500      5.658755      5.638276
  C      -4.619673      4.796668      6.084925
  O      -4.350060      3.739852      5.423900
  C      -3.744426      5.010128      7.269385
  C      -6.328299      5.361362      4.416414
  C      -7.389247      6.124139      3.936289
  O      -7.959027      5.788615      2.766543
  C     -11.571135      4.500437      3.547324
  C     -10.856759      4.951301      4.799681
  O     -11.200327      5.993501      5.350511
  C      -9.729416      4.142363      5.381729
  C      -9.284651      4.564271      6.640026
  C      -8.224722      3.952389      7.303003
  O      -7.845650      4.434207      8.502653
  C      -7.553281      2.859710      6.674014
  C      -6.369171      2.290382      7.320459
  O      -5.989585      2.712270      8.435050
  C      -5.540972      1.200894      6.634205
  C      -8.006736      2.428743      5.415756
  C      -9.073736      3.040998      4.762223
  O      -9.376305      2.517964      3.539925
  H      -3.848495     -1.637818     -2.755961
  H      -5.515238     -2.083535     -3.276318
  H      -4.699815     -2.916403     -1.903113
  H      -6.310955      0.844073      0.181815
  H      -5.006354      2.128085      3.207528
  H      -1.765817     -0.750667      4.112540
  H      -0.925873      0.600982      3.333164
  H      -2.008538     -1.020039      1.795435
  H      -2.029298     -2.273525     -0.027355
  H      -9.997440      8.684068      5.989608
  H      -8.840583      9.857353      5.323737
  H     -10.410978      9.586572      4.500562
  H      -7.586199      8.361554      6.530222
  H      -6.018168      7.787175      8.017018
  H      -3.305150      6.026979      7.239954
  H      -4.373525      4.997422      8.183631
  H      -5.985467      4.512527      3.827209
  H      -8.672458      6.501936      2.622093
  H     -10.916514      4.643723      2.668030
  H     -11.880791      3.445094      3.602708
  H     -12.455484      5.129320      3.397516
  H      -9.787073      5.412617      7.104725
  H      -7.060467      3.858010      8.772641
  H      -5.665614      1.270120      5.546598
  H      -5.977688      0.227935      6.940621
  H      -7.517688      1.607091      4.894011
  H     -10.030013      3.074575      3.080746
  N      -1.528186      3.509406      4.775968
  N      -1.085259      3.595832      3.656448
  H      -0.403868      4.380284      3.503691
95
Coordinates from ORCA-job orca E -6715.164830909165
  N      -1.550016      0.963777      5.325100
  Mo     -2.812399      2.427501      6.007290
  N      -4.135963      1.270662      6.959141
  C      -3.746512      0.659380      8.221416
  C      -2.242383      0.453761      8.216652
  N      -1.569806      1.708977      7.745501
  C      -0.196632      1.434300      7.242029
  C      -0.300844      0.621025      5.961795
  C      -1.520057      2.720079      8.849042
  C      -1.661230      4.092322      8.222340
  N      -2.748842      3.971913      7.278372
  H       0.569860      0.839262      5.312489
  H      -0.260408     -0.467177      6.174150
  H       0.269788      2.407992      7.044375
  H       0.392461      0.916035      8.016515
  H      -1.875400      4.845810      8.997592
  H      -0.724995      4.400688      7.716267
  H      -2.379331      2.538985      9.506372
  H      -0.593254      2.586776      9.428451
  H      -4.238277     -0.321969      8.358248
  H      -4.062025      1.287596      9.075448
  H      -1.982609     -0.343740      7.512115
  H      -1.857968      0.186857      9.214094
  C      -4.845506     -1.954305     -2.419923
  C      -5.445163     -0.938715     -1.487639
  O      -6.525199     -0.416330     -1.742722
  C      -4.728405     -0.533531     -0.214490
  C      -5.364281      0.446647      0.548187
  C      -4.836293      0.929666      1.744754
  O      -5.528105      1.885160      2.399818
  C      -3.600536      0.393289      2.221543
  C      -3.029929      0.848080      3.455681
  O      -3.624039      1.745613      4.149875
  C      -1.750418      0.357026      4.041705
  C      -2.955770     -0.600264      1.447676
  C      -3.490193     -1.061407      0.253572
  O      -2.854171     -2.019527     -0.482009
  C      -9.596519      9.108396      5.054702
  C      -9.008064      8.013120      4.215570
  O      -9.500862      7.753539      3.097554
  C      -7.862790      7.229100      4.709503
  C      -7.229973      7.523865      5.928605
  C      -6.161545      6.770982      6.398100
  O      -5.543022      7.056620      7.580783
  C      -5.696047      5.658246      5.639564
  C      -4.620222      4.796117      6.086119
  O      -4.350544      3.739347      5.425013
  C      -3.744718      5.009632      7.270358
  C      -6.328158      5.361691      4.417143
  C      -7.388513      6.125101      3.936713
  O      -7.957507      5.790566      2.766306
  C     -11.572705      4.494996      3.546876
  C     -10.856739      4.949031      4.797176
  O     -11.198658      5.993338      5.345045
  C      -9.729047      4.141230      5.380114
  C      -9.281638      4.567254      6.636087
  C      -8.221374      3.956498      7.299582
  O      -7.839842      4.442240      8.496857
  C      -7.552312      2.860656      6.673490
  C      -6.368121      2.291771      7.320203
  O      -5.986862      2.716094      8.433300
  C      -5.541098      1.200529      6.635334
  C      -8.008284      2.425781      5.417487
  C      -9.075727      3.036829      4.763555
  O      -9.381422      2.509258      3.543996
  H      -3.848138     -1.635543     -2.755506
  H      -5.514588     -2.080237     -3.277759
  H      -4.700489     -2.914949     -1.904920
  H      -6.310623      0.846074      0.181294
  H      -5.004699      2.131140      3.205987
  H      -1.767059     -0.750699      4.113106
  H      -0.926206      0.600133      3.333305
  H      -2.009431     -1.020165      1.795806
  H      -2.030796     -2.274128     -0.026670
  H      -9.998462      8.685790      5.988246
  H      -8.838240      9.857679      5.325757
  H     -10.407430      9.590256      4.499153
  H      -7.586726      8.360955      6.531889
  H      -6.019642      7.785454      8.019297
  H      -3.305291      6.026418      7.240513
  H      -4.373528      4.997325      8.184819
  H      -5.985022      4.513243      3.827563
  H      -8.670775      6.504096      2.621998
  H     -10.919075      4.635581      2.666414
  H     -11.882657      3.439924      3.605578
  H     -12.456981      5.123804      3.396346
  H      -9.782312      5.417867      7.098533
  H      -7.054964      3.866016      8.767770
  H      -5.666041      1.268286      5.547690
  H      -5.978389      0.228319      6.943318
  H      -7.521242      1.601508      4.898014
  H     -10.035808      3.064515      3.084148
  N      -1.529525      3.510202      4.775959
  N      -1.087562      3.595376      3.655956
  H      -0.406773      4.380029      3.501598
95
Coordinates from ORCA-job orca E -6715.164833213656
  N      -1.550402      0.963210      5.325431
  Mo     -2.812993      2.426868      6.007151
  N      -4.136419      1.270433      6.959519
  C      -3.746832      0.659401      8.221895
  C      -2.242703      0.453894      8.217088
  N      -1.570252      1.709048      7.745557
  C      -0.197061      1.434355      7.242189
  C      -0.301230      0.620663      5.962242
  C      -1.520551      2.720515      8.848776
  C      -1.661556      4.092541      8.221551
  N      -2.749001      3.971883      7.277401
  H       0.569468      0.838767      5.312874
  H      -0.260739     -0.467477      6.174905
  H       0.269237      2.408029      7.044172
  H       0.392062      0.916397      8.016855
  H      -1.875876      4.846293      8.996506
  H      -0.725222      4.400709      7.715558
  H      -2.379889      2.539707      9.506096
  H      -0.593782      2.587336      9.428264
  H      -4.238553     -0.321938      8.358953
  H      -4.062374      1.287766      9.075803
  H      -1.982915     -0.343774      7.512745
  H      -1.858207      0.187284      9.214578
  C      -4.842322     -1.953073     -2.421745
  C      -5.443109     -0.938773     -1.488790
  O      -6.524362     -0.418406     -1.742830
  C      -4.726884     -0.533808     -0.215273
  C      -5.363374      0.445760      0.547674
  C      -4.835956      0.928466      1.744602
  O      -5.528485      1.883213      2.400003
  C      -3.600087      0.392503      2.221443
  C      -3.029818      0.847232      3.455784
  O      -3.624329      1.744365      4.150135
  C      -1.750159      0.356681      4.041841
  C      -2.954734     -0.600511      1.447390
  C      -3.488621     -1.061405      0.252949
  O      -2.852058     -2.019071     -0.482777
  C      -9.596966      9.107477      5.052698
  C      -9.008929      8.011607      4.214021
  O      -9.503110      7.750475      3.096977
  C      -7.863260      7.228076      4.707798
  C      -7.229875      7.523711      5.926394
  C      -6.161284      6.771113      6.395976
  O      -5.542323      7.057472      7.578239
  C      -5.696176      5.657801      5.638044
  C      -4.620408      4.795785      6.084920
  O      -4.351062      3.738539      5.424455
  C      -3.744669      5.009820      7.268890
  C      -6.328744      5.360463      4.416050
  C      -7.389277      6.123573      3.935524
  O      -7.958604      5.788347      2.765482
  C     -11.571858      4.499628      3.549585
  C     -10.856817      4.951430      4.801235
  O     -11.199520      5.994463      5.351021
  C      -9.729378      4.142728      5.383399
  C      -9.282772      4.566564      6.640397
  C      -8.222624      3.954950      7.303279
  O      -7.841892      4.438526      8.501691
  C      -7.552848      2.860536      6.675491
  C      -6.368549      2.291207      7.321622
  O      -5.987735      2.714105      8.435402
  C      -5.541611      1.200350      6.635959
  C      -8.008182      2.427641      5.418572
  C      -9.075482      3.039565      4.765213
  O      -9.380446      2.514101      3.544568
  H      -3.845136     -1.633232     -2.756820
  H      -5.511111     -2.078952     -3.279817
  H      -4.696640     -2.914001     -1.907443
  H      -6.309818      0.844913      0.180737
  H      -5.005657      2.128913      3.206605
  H      -1.766107     -0.751065      4.112863
  H      -0.925937      0.600671      3.333754
  H      -2.008267     -1.020067      1.795585
  H      -2.028732     -2.273541     -0.027276
  H      -9.998167      8.685504      5.986859
  H      -8.838649      9.857116      5.322630
  H     -10.408388      9.588739      4.497378
  H      -7.586421      8.361173      6.529284
  H      -6.018762      7.786599      8.016460
  H      -3.305013      6.026486      7.238336
  H      -4.373272      4.998169      8.183485
  H      -5.985869      4.511616      3.826897
  H      -8.671581      6.502080      2.620693
  H     -10.917570      4.641788      2.669864
  H     -11.881830      3.444443      3.606195
  H     -12.456054      5.128660      3.399528
  H      -9.783942      5.416180      7.104132
  H      -7.057099      3.861937      8.772015
  H      -5.666812      1.268675      5.548370
  H      -5.978742      0.227952      6.943551
  H      -7.520613      1.604448      4.897878
  H     -10.034911      3.069904      3.085484
  N      -1.530662      3.509451      4.774275
  N      -1.089828      3.592024      3.653613
  H      -0.409550      4.376591      3.496631
95
Coordinates from ORCA-job orca E -6715.164835152955
  N      -1.551074      0.963243      5.326285
  Mo     -2.813933      2.426150      6.008206
  N      -4.136615      1.269886      6.961376
  C      -3.746495      0.659161      8.223781
  C      -2.242346      0.454036      8.218446
  N      -1.570391      1.709265      7.746318
  C      -0.197262      1.434824      7.242564
  C      -0.301703      0.620878      5.962819
  C      -1.520508      2.720993      8.849329
  C      -1.661456      4.092845      8.221773
  N      -2.748761      3.971923      7.277441
  H       0.568764      0.838933      5.313131
  H      -0.261013     -0.467232      6.175615
  H       0.268663      2.408593      7.044138
  H       0.392217      0.917171      8.017157
  H      -1.876088      4.846685      8.996567
  H      -0.725073      4.401149      7.715980
  H      -2.379847      2.540402      9.506694
  H      -0.593685      2.587822      9.428717
  H      -4.237976     -0.322264      8.361055
  H      -4.061979      1.287648      9.077604
  H      -1.982580     -0.343703      7.514174
  H      -1.857392      0.187752      9.215848
  C      -4.839322     -1.946742     -2.425150
  C      -5.442895     -0.936847     -1.489221
  O      -6.526131     -0.419579     -1.741112
  C      -4.727228     -0.532857     -0.215092
  C      -5.364504      0.445473      0.548797
  C      -4.837619      0.927271      1.746321
  O      -5.531148      1.880532      2.402853
  C      -3.601424      0.391706      2.222753
  C      -3.031391      0.845930      3.457396
  O      -3.625965      1.742927      4.151811
  C      -1.751433      0.355742      4.043180
  C      -2.955427     -0.600263      1.447906
  C      -3.488847     -1.060303      0.252925
  O      -2.851746     -2.017163     -0.483428
  C      -9.595456      9.108481      5.050738
  C      -9.008054      8.011714      4.212784
  O      -9.504294      7.748218      3.097195
  C      -7.862364      7.228325      4.706671
  C      -7.227308      7.525819      5.923955
  C      -6.158670      6.773372      6.393665
  O      -5.538106      7.061445      7.574653
  C      -5.695264      5.658338      5.637223
  C      -4.619917      4.796091      6.084632
  O      -4.351737      3.737737      5.425436
  C      -3.743264      5.010988      7.267721
  C      -6.329387      5.359244      4.416486
  C      -7.390129      6.122033      3.935894
  O      -7.961523      5.784588      2.767507
  C     -11.570591      4.499247      3.549103
  C     -10.855779      4.950739      4.800991
  O     -11.198377      5.993847      5.350716
  C      -9.729120      4.141415      5.383818
  C      -9.283560      4.564611      6.641408
  C      -8.223864      3.952778      7.304789
  O      -7.844061      4.435812      8.503729
  C      -7.553404      2.858871      6.676912
  C      -6.369304      2.289646      7.323503
  O      -5.988938      2.712603      8.437394
  C      -5.541817      1.199133      6.637900
  C      -8.007759      2.426482      5.419474
  C      -9.074648      3.038575      4.765594
  O      -9.378162      2.514048      3.544196
  H      -3.842273     -1.624170     -2.757972
  H      -5.507015     -2.070868     -3.284331
  H      -4.692694     -2.909211     -1.913984
  H      -6.311248      0.844259      0.182235
  H      -5.009078      2.125124      3.210268
  H      -1.767480     -0.751939      4.115115
  H      -0.927460      0.599180      3.334667
  H      -2.008791     -1.019594      1.795927
  H      -2.028522     -2.271775     -0.027820
  H      -9.996565      8.687271      5.985307
  H      -8.836903      9.858118      5.319938
  H     -10.406938      9.589500      4.495295
  H      -7.582600      8.364621      6.525720
  H      -6.013458      7.791748      8.012088
  H      -3.302440      6.027110      7.235005
  H      -4.371106      5.001697      8.182817
  H      -5.987968      4.508934      3.828599
  H      -8.674797      6.498035      2.622641
  H     -10.915436      4.639889      2.669791
  H     -11.882253      3.444569      3.606207
  H     -12.453800      5.129429      3.398048
  H      -9.785136      5.413988      7.105135
  H      -7.059426      3.859199      8.774357
  H      -5.667042      1.267357      5.550291
  H      -5.978467      0.226569      6.945590
  H      -7.519522      1.603725      4.898707
  H     -10.032481      3.069936      3.085003
  N      -1.533642      3.509918      4.771921
  N      -1.095823      3.586759      3.649643
  H      -0.418796      4.372749      3.485907
95
Coordinates from ORCA-job orca E -6715.164839160665
  N      -1.552101      0.962498      5.327369
  Mo     -2.816785      2.423125      6.009084
  N      -4.138046      1.266870      6.963351
  C      -3.747097      0.656790      8.225891
  C      -2.242815      0.452832      8.220131
  N      -1.572188      1.708524      7.747270
  C      -0.198825      1.435294      7.243567
  C      -0.302693      0.620772      5.964223
  C      -1.523078      2.720744      8.849899
  C      -1.664338      4.092237      8.221715
  N      -2.750832      3.970275      7.276484
  H       0.567681      0.839070      5.314504
  H      -0.261463     -0.467244      6.177366
  H       0.266057      2.409452      7.044607
  H       0.391189      0.918529      8.018343
  H      -1.880385      4.846065      8.996143
  H      -0.727762      4.401282      7.716769
  H      -2.382586      2.540106      9.507019
  H      -0.596357      2.588097      9.429555
  H      -4.237940     -0.324886      8.363598
  H      -4.062872      1.285415      9.079490
  H      -1.982617     -0.344980      7.516092
  H      -1.857267      0.187314      9.217504
  C      -4.826585     -1.936490     -2.434201
  C      -5.436420     -0.935161     -1.493151
  O      -6.523196     -0.423897     -1.741963
  C      -4.722624     -0.532364     -0.217594
  C      -5.361481      0.444510      0.546835
  C      -4.836326      0.925190      1.745543
  O      -5.531244      1.877204      2.402436
  C      -3.600315      0.390013      2.222630
  C      -3.031726      0.843367      3.458320
  O      -3.627956      1.738536      4.153602
  C      -1.751899      0.353688      4.044755
  C      -2.952863     -0.600733      1.447490
  C      -3.484568     -1.059722      0.251329
  O      -2.846345     -2.015831     -0.485069
  C      -9.594378      9.107831      5.040741
  C      -9.008190      8.008467      4.205299
  O      -9.505750      7.742126      3.090953
  C      -7.862846      7.225434      4.700424
  C      -7.227311      7.524880      5.916986
  C      -6.159016      6.772689      6.387875
  O      -5.537765      7.062794      7.567992
  C      -5.696603      5.655780      5.633558
  C      -4.621665      4.793814      6.082380
  O      -4.354514      3.733793      5.425435
  C      -3.743864      5.010755      7.264172
  C      -6.331179      5.354748      4.413541
  C      -7.391440      6.117394      3.931641
  O      -7.962878      5.778517      2.763704
  C     -11.572468      4.506596      3.561630
  C     -10.855177      4.956725      4.812618
  O     -11.195943      5.999824      5.363471
  C      -9.728958      4.145528      5.393677
  C      -9.281006      4.567739      6.650756
  C      -8.221165      3.954281      7.312381
  O      -7.838924      4.436391      8.510932
  C      -7.553101      2.859685      6.683216
  C      -6.368984      2.288653      7.328204
  O      -5.986795      2.710794      8.441741
  C      -5.543670      1.197071      6.641487
  C      -8.009837      2.428231      5.426319
  C      -9.076895      3.041931      4.774190
  O      -9.382885      2.518209      3.553095
  H      -3.829436     -1.608823     -2.761628
  H      -5.491339     -2.057093     -3.296162
  H      -4.678785     -2.901953     -1.929006
  H      -6.308153      0.843031      0.179786
  H      -5.010531      2.121088      3.210887
  H      -1.768056     -0.753942      4.117660
  H      -0.927566      0.596764      3.336646
  H      -2.006389     -1.019843      1.796228
  H      -2.023760     -2.270812     -0.028513
  H      -9.997407      8.688661      5.975438
  H      -8.834910      9.856561      5.309768
  H     -10.404453      9.589341      4.483670
  H      -7.581927      8.365095      6.517177
  H      -6.012277      7.794507      8.003987
  H      -3.301520      6.026133      7.227696
  H      -4.370572      5.005352      8.180014
  H      -5.990375      4.503198      3.827106
  H      -8.675079      6.492749      2.617251
  H     -10.917946      4.645311      2.681555
  H     -11.886632      3.452682      3.619552
  H     -12.454402      5.138747      3.411383
  H      -9.780732      5.417692      7.115417
  H      -7.054785      3.858578      8.780289
  H      -5.670230      1.265421      5.554026
  H      -5.980685      0.224932      6.949885
  H      -7.523490      1.604873      4.904728
  H     -10.037939      3.074565      3.095504
  N      -1.540669      3.510131      4.766353
  N      -1.108570      3.575159      3.641056
  H      -0.437140      4.363038      3.464048
95
Coordinates from ORCA-job orca E -6715.164841742901
  N      -1.553726      0.962095      5.329031
  Mo     -2.819455      2.420432      6.011298
  N      -4.138973      1.264811      6.967691
  C      -3.746905      0.656028      8.230587
  C      -2.242590      0.452518      8.223605
  N      -1.572973      1.708109      7.749004
  C      -0.199833      1.435274      7.244505
  C      -0.304386      0.619951      5.965839
  C      -1.523362      2.721086      8.850938
  C      -1.664706      4.092096      8.221899
  N      -2.751003      3.969266      7.276441
  H       0.565830      0.837495      5.315683
  H      -0.263569     -0.467964      6.179571
  H       0.264344      2.409544      7.044440
  H       0.391007      0.919306      8.019179
  H      -1.881495      4.846140      8.995935
  H      -0.728104      4.401483      7.717251
  H      -2.382675      2.540965      9.508433
  H      -0.596408      2.588669      9.430256
  H      -4.237436     -0.325631      8.369466
  H      -4.062280      1.285412      9.083731
  H      -1.982754     -0.345828      7.520025
  H      -1.855973      0.188031      9.220836
  C      -4.817355     -1.921319     -2.443145
  C      -5.433791     -0.930293     -1.495519
  O      -6.524871     -0.426121     -1.739855
  C      -4.721471     -0.529538     -0.218510
  C      -5.360996      0.446316      0.546655
  C      -4.836861      0.925453      1.746414
  O      -5.532001      1.877094      2.403631
  C      -3.601375      0.389579      2.223889
  C      -3.033656      0.841435      3.460589
  O      -3.631040      1.734631      4.157314
  C      -1.754419      0.350957      4.047570
  C      -2.953485     -0.600491      1.448299
  C      -3.484138     -1.057921      0.251063
  O      -2.845903     -2.013961     -0.485460
  C      -9.590003      9.111261      5.037012
  C      -9.006970      8.008670      4.203611
  O      -9.506449      7.740795      3.090451
  C      -7.861642      7.225560      4.698565
  C      -7.223513      7.527462      5.913171
  C      -6.155342      6.775193      6.384161
  O      -5.531369      7.067803      7.562219
  C      -5.695849      5.655516      5.632158
  C      -4.621473      4.793259      6.081694
  O      -4.356803      3.730934      5.427414
  C      -3.741300      5.012300      7.261193
  C      -6.332927      5.352038      4.414081
  C      -7.393023      6.114787      3.931938
  O      -7.967004      5.773320      2.766023
  C     -11.572321      4.501594      3.562675
  C     -10.855361      4.953506      4.813227
  O     -11.194776      5.998528      5.361265
  C      -9.729390      4.143014      5.395717
  C      -9.279813      4.568620      6.651075
  C      -8.219863      3.956216      7.313506
  O      -7.836293      4.441442      8.510377
  C      -7.553233      2.859287      6.686843
  C      -6.368663      2.289294      7.332007
  O      -5.985454      2.713347      8.444435
  C      -5.544949      1.195196      6.647179
  C      -8.011826      2.424248      5.431857
  C      -9.079180      3.036735      4.779078
  O      -9.387589      2.508975      3.560355
  H      -3.819990     -1.588121     -2.764166
  H      -5.478886     -2.036931     -3.308268
  H      -4.668633     -2.890604     -1.945526
  H      -6.307317      0.845403      0.179316
  H      -5.011963      2.120086      3.212735
  H      -1.772546     -0.756540      4.122666
  H      -0.929579      0.591480      3.339373
  H      -2.007543     -1.020316      1.797621
  H      -2.024133     -2.270128     -0.028103
  H      -9.995067      8.694380      5.971888
  H      -8.828509      9.858013      5.305699
  H     -10.398305      9.594445      4.478812
  H      -7.575968      8.369773      6.511693
  H      -6.003867      7.801565      7.996958
  H      -3.296255      6.026357      7.219425
  H      -4.366021      5.012623      8.178340
  H      -5.994399      4.498388      3.829402
  H      -8.678744      6.487957      2.619001
  H     -10.917144      4.637701      2.682686
  H     -11.887610      3.448131      3.622753
  H     -12.453512      5.134322      3.410568
  H      -9.778330      5.420429      7.113628
  H      -7.052777      3.863436      8.781085
  H      -5.672358      1.261397      5.559683
  H      -5.982324      0.224032      6.958065
  H      -7.526818      1.598736      4.912411
  H     -10.043809      3.063647      3.102373
  N      -1.548865      3.511195      4.760009
  N      -1.123966      3.561870      3.631182
  H      -0.459228      4.351578      3.437981
95
Coordinates from ORCA-job orca E -6715.164843568719
  N      -1.553782      0.962515      5.329286
  Mo     -2.820547      2.419072      6.012028
  N      -4.139217      1.262879      6.968583
  C      -3.746884      0.654536      8.231600
  C      -2.242510      0.451633      8.224472
  N      -1.573574      1.707511      7.749708
  C      -0.200342      1.435369      7.245023
  C      -0.304788      0.619871      5.966524
  C      -1.524328      2.720517      8.851631
  C      -1.666277      4.091485      8.222727
  N      -2.752339      3.968099      7.277024
  H       0.565655      0.836888      5.316532
  H      -0.264528     -0.468016      6.180511
  H       0.263286      2.409863      7.044744
  H       0.390964      0.919802      8.019609
  H      -1.883819      4.845234      8.996854
  H      -0.729733      4.401665      7.718456
  H      -2.383516      2.540004      9.509178
  H      -0.597295      2.588493      9.430915
  H      -4.237071     -0.327257      8.370712
  H      -4.062358      1.284055      9.084598
  H      -1.982413     -0.346679      7.520936
  H      -1.855649      0.187379      9.221669
  C      -4.811244     -1.913617     -2.448429
  C      -5.431786     -0.928855     -1.496945
  O      -6.524089     -0.426828     -1.740214
  C      -4.720435     -0.529081     -0.219113
  C      -5.360499      0.446253      0.546267
  C      -4.836976      0.924771      1.746565
  O      -5.532451      1.876075      2.403930
  C      -3.601711      0.388615      2.224400
  C      -3.034622      0.839846      3.461604
  O      -3.632207      1.732934      4.158278
  C      -1.755939      0.348625      4.049283
  C      -2.953463     -0.601147      1.448717
  C      -3.483479     -1.057884      0.250935
  O      -2.845132     -2.013871     -0.485550
  C      -9.589081      9.111637      5.032608
  C      -9.005849      8.008472      4.200117
  O      -9.504829      7.739980      3.086880
  C      -7.861315      7.224985      4.696253
  C      -7.223293      7.527365      5.910803
  C      -6.155477      6.774975      6.382401
  O      -5.531173      7.068449      7.560097
  C      -5.696462      5.654508      5.631279
  C      -4.622263      4.792254      6.081302
  O      -4.358067      3.729324      5.427785
  C      -3.741523      5.012131      7.260144
  C      -6.333600      5.350448      4.413374
  C      -7.393185      6.113443      3.930524
  O      -7.967239      5.771582      2.764745
  C     -11.575534      4.500205      3.568681
  C     -10.854419      4.954827      4.815848
  O     -11.191869      6.001171      5.362587
  C      -9.728402      4.144178      5.398060
  C      -9.276019      4.572024      6.651650
  C      -8.215851      3.959563      7.313679
  O      -7.829365      4.447106      8.508671
  C      -7.551999      2.860136      6.688455
  C      -6.367700      2.289331      7.333363
  O      -5.982382      2.715029      8.444428
  C      -5.545413      1.193999      6.648829
  C      -8.013094      2.423190      5.435051
  C      -9.080693      3.035710      4.782713
  O      -9.391751      2.505772      3.565605
  H      -3.813577     -1.577211     -2.765100
  H      -5.470481     -2.025821     -3.315752
  H      -4.662331     -2.885301     -1.955557
  H      -6.306682      0.845435      0.178689
  H      -5.012873      2.118408      3.213540
  H      -1.776608     -0.758684      4.127273
  H      -0.930658      0.585370      3.340479
  H      -2.007876     -1.021406      1.798482
  H      -2.023754     -2.270532     -0.027772
  H      -9.995534      8.695157      5.967063
  H      -8.827471      9.857966      5.302097
  H     -10.396437      9.595197      4.473362
  H      -7.575299      8.370371      6.508605
  H      -6.003200      7.802909      7.994174
  H      -3.295382      6.025661      7.216252
  H      -4.365742      5.014994      8.177608
  H      -5.995447      4.496202      3.829348
  H      -8.678811      6.486312      2.617462
  H     -10.922951      4.633547      2.686350
  H     -11.891476      3.447150      3.632427
  H     -12.456681      5.133250      3.417619
  H      -9.772476      5.425635      7.113105
  H      -7.046032      3.868780      8.779196
  H      -5.673320      1.259593      5.561357
  H      -5.983362      0.223402      6.960647
  H      -7.530109      1.595855      4.916621
  H     -10.047819      3.060453      3.107430
  N      -1.552241      3.512818      4.758452
  N      -1.129251      3.559162      3.628732
  H      -0.468806      4.351093      3.429993
95
Coordinates from ORCA-job orca E -6715.164844170853
  N      -1.553888      0.962138      5.329382
  Mo     -2.820561      2.418786      6.011887
  N      -4.139320      1.262881      6.968800
  C      -3.747190      0.655061      8.232081
  C      -2.242872      0.451879      8.225105
  N      -1.573670      1.707398      7.749884
  C      -0.200564      1.434734      7.245180
  C      -0.305358      0.618679      5.967113
  C      -1.524130      2.720860      8.851334
  C      -1.665976      4.091610      8.221923
  N      -2.752245      3.968088      7.276463
  H       0.565435      0.834576      5.317236
  H      -0.266189     -0.469125      6.181732
  H       0.263276      2.409025      7.044378
  H       0.390792      0.919417      8.019902
  H      -1.883208      4.845715      8.995787
  H      -0.729461      4.401367      7.717337
  H      -2.383155      2.540740      9.509215
  H      -0.597004      2.589042      9.430531
  H      -4.237528     -0.326594      8.371674
  H      -4.062533      1.284986      9.084830
  H      -1.982959     -0.346809      7.521924
  H      -1.856104      0.187924      9.222417
  C      -4.809505     -1.911762     -2.449890
  C      -5.431100     -0.928586     -1.497441
  O      -6.523856     -0.427350     -1.740310
  C      -4.720041     -0.529077     -0.219373
  C      -5.360094      0.446356      0.545888
  C      -4.836645      0.924814      1.746253
  O      -5.531912      1.876427      2.403396
  C      -3.601574      0.388390      2.224304
  C      -3.034611      0.839504      3.461591
  O      -3.632272      1.732539      4.158313
  C      -1.756173      0.347938      4.049550
  C      -2.953406     -0.601557      1.448791
  C      -3.483300     -1.058183      0.250914
  O      -2.845155     -2.014426     -0.485387
  C      -9.589328      9.111375      5.032582
  C      -9.006235      8.008178      4.200037
  O      -9.504878      7.740104      3.086557
  C      -7.861585      7.224767      4.696052
  C      -7.223449      7.527175      5.910534
  C      -6.155521      6.774863      6.381998
  O      -5.531072      7.068464      7.559604
  C      -5.696516      5.654406      5.630865
  C      -4.622253      4.792159      6.080784
  O      -4.358246      3.729179      5.427286
  C      -3.741372      5.012151      7.259486
  C      -6.333754      5.350333      4.413004
  C      -7.393408      6.113286      3.930260
  O      -7.967558      5.771393      2.764525
  C     -11.577218      4.499101      3.570434
  C     -10.855298      4.954526      4.816837
  O     -11.190968      6.002314      5.361897
  C      -9.728842      4.144280      5.398784
  C      -9.275915      4.572607      6.652007
  C      -8.215476      3.960375      7.313821
  O      -7.828451      4.448393      8.508436
  C      -7.551938      2.860658      6.688757
  C      -6.367546      2.289913      7.333513
  O      -5.981728      2.716112      8.444226
  C      -5.545554      1.194290      6.649132
  C      -8.013400      2.423421      5.435586
  C      -9.081186      3.035800      4.783427
  O      -9.392288      2.505940      3.566286
  H      -3.811762     -1.574527     -2.765430
  H      -5.468153     -2.023068     -3.317778
  H      -4.660552     -2.884066     -1.958261
  H      -6.306120      0.845731      0.178116
  H      -5.012245      2.118857      3.212930
  H      -1.777660     -0.759346      4.127978
  H      -0.930584      0.583746      3.340827
  H      -2.008033     -1.022133      1.798757
  H      -2.023864     -2.271263     -0.027553
  H      -9.995312      8.695044      5.967295
  H      -8.827693      9.857861      5.301598
  H     -10.396962      9.594736      4.473564
  H      -7.575427      8.370161      6.508388
  H      -6.003187      7.802823      7.993761
  H      -3.295175      6.025649      7.215453
  H      -4.365563      5.015216      8.176978
  H      -5.995610      4.496082      3.828973
  H      -8.679293      6.485969      2.617389
  H     -10.924933      4.631123      2.687675
  H     -11.893799      3.446317      3.635318
  H     -12.457996      5.132601      3.419111
  H      -9.772216      5.426334      7.113414
  H      -7.044943      3.870205      8.778793
  H      -5.673517      1.259697      5.561654
  H      -5.983706      0.223842      6.961128
  H      -7.530496      1.596061      4.917123
  H     -10.047722      3.061116      3.107808
  N      -1.551769      3.512103      4.758163
  N      -1.128457      3.558317      3.628577
  H      -0.467843      4.350154      3.429975
