104
Coordinates from ORCA-job orca E -6540.141934715390
  N      -2.889888      0.554319      4.654278
  Mo     -3.558285      2.372925      4.833364
  N      -4.873888      1.998412      6.206399
  C      -4.415329      1.786637      7.570361
  C      -2.993370      1.222056      7.561964
  N      -2.168413      1.975370      6.606675
  C      -1.057227      1.161611      6.104402
  C      -1.609664      0.097114      5.134634
  C      -1.661901      3.220517      7.201056
  C      -1.721162      4.285174      6.097961
  N      -3.026321      4.163270      5.494467
  H      -0.893619     -0.049194      4.313126
  H      -1.719957     -0.869309      5.649392
  H      -0.373433      1.822998      5.568014
  H      -0.513778      0.687172      6.931071
  H      -1.544021      5.281237      6.516691
  H      -0.941806      4.091508      5.346393
  H      -2.327943      3.528734      8.010502
  H      -0.650904      3.092945      7.600667
  H      -5.070868      1.077920      8.096300
  H      -4.446734      2.732100      8.133510
  H      -3.040289      0.180505      7.235956
  H      -2.554118      1.252466      8.566192
  C      -3.848583     -0.490341      4.427423
  C      -3.471455     -1.399772      3.243044
  C      -3.406462     -0.617948      1.937557
  O      -4.743359     -0.245000      1.578035
  C      -4.890934      0.183903      0.271756
  C      -5.668630     -0.553526     -0.602116
  C      -5.826446     -0.098591     -1.911224
  N      -5.271070      0.993863     -2.384043
  C      -4.513321      1.735059     -1.551604
  C      -3.918589      2.921881     -2.021608
  C      -3.164795      3.675999     -1.148891
  C      -3.020649      3.243781      0.168560
  N      -3.551660      2.135809      0.646696
  C      -4.289468      1.379496     -0.191089
  C      -3.937177      5.230364      5.830588
  C      -4.999684      5.387774      4.744543
  C      -4.362366      5.793022      3.411490
  O      -5.042880      5.217927      2.304011
  C      -6.272731      5.684510      1.944579
  C      -6.815823      6.899757      2.311568
  C      -8.037135      7.285093      1.756169
  N      -8.709585      6.584817      0.875747
  C      -8.214551      5.387735      0.511434
  C      -8.891786      4.619061     -0.458907
  C      -8.386272      3.383598     -0.786866
  C      -7.260429      2.916219     -0.106356
  N      -6.577642      3.610452      0.777596
  C      -7.019036      4.855730      1.061615
  C      -6.306232      1.905075      6.120218
  C      -7.058274      3.071437      6.803353
  C      -8.269421      3.473777      5.972279
  O      -7.803753      3.962147      4.708889
  C      -8.716246      3.802133      3.678360
  C      -9.676104      4.769547      3.428579
  C     -10.572517      4.571140      2.386320
  N     -10.587534      3.496394      1.624064
  C      -9.680976      2.529851      1.865315
  C      -9.701977      1.353571      1.095357
  C      -8.779059      0.358285      1.369688
  C      -7.834256      0.573244      2.359595
  N      -7.766866      1.672386      3.103233
  C      -8.688839      2.639428      2.879493
  H      -3.956553     -1.129308      5.324342
  H      -4.818993     -0.026441      4.211776
  H      -2.498720     -1.858921      3.419213
  H      -4.219579     -2.187603      3.145519
  H      -2.984218     -1.242939      1.140714
  H      -2.789929      0.284531      2.049023
  H      -6.141638     -1.462963     -0.266838
  H      -6.428252     -0.656378     -2.616133
  H      -4.075301      3.211067     -3.048843
  H      -2.694354      4.592307     -1.469435
  H      -2.436808      3.809291      0.881980
  H      -3.389199      6.179075      5.926271
  H      -4.442751      5.038815      6.794096
  H      -5.751533      6.115905      5.052258
  H      -5.496953      4.422276      4.603333
  H      -3.356627      5.360358      3.343312
  H      -4.289020      6.879927      3.301213
  H      -6.316073      7.565219      2.995546
  H      -8.481262      8.232460      2.030792
  H      -9.784436      5.018241     -0.912124
  H      -8.855925      2.761468     -1.531492
  H      -6.894648      1.915222     -0.285938
  H      -6.657453      0.955394      6.560772
  H      -6.584900      1.908901      5.065684
  H      -6.394936      3.934679      6.870930
  H      -7.391107      2.804528      7.806022
  H      -8.847818      4.262799      6.470998
  H      -8.925547      2.608743      5.811725
  H      -9.716862      5.661658      4.033659
  H     -11.322584      5.313959      2.154008
  H     -10.448735      1.246291      0.325292
  H      -8.777175     -0.564963      0.812174
  H      -7.073910     -0.167084      2.575798
  N      -4.656158      2.767613      3.051287
  H      -4.231509      3.496855      2.480112
  H      -5.609926      3.075185      3.235915
  H      -4.736477      1.949894      2.448589
  N      -1.936050      2.752944      3.506398
  N      -0.854559      3.006289      2.621754
104
Coordinates from ORCA-job orca E -6540.206876131002
  N      -2.832351      0.519025      4.671152
  Mo     -3.516344      2.342304      4.830263
  N      -4.854703      1.973416      6.191703
  C      -4.404014      1.775322      7.567763
  C      -2.976942      1.222820      7.581669
  N      -2.141343      1.977261      6.624507
  C      -1.015195      1.164656      6.135914
  C      -1.548454      0.084895      5.169989
  C      -1.647902      3.234822      7.211675
  C      -1.702634      4.286615      6.098675
  N      -3.003814      4.156187      5.483577
  H      -0.820988     -0.062007      4.355716
  H      -1.653711     -0.879762      5.694656
  H      -0.332237      1.830113      5.599417
  H      -0.472938      0.701917      6.974008
  H      -1.534934      5.289642      6.511991
  H      -0.913888      4.090519      5.355007
  H      -2.324885      3.546598      8.014240
  H      -0.637378      3.115291      7.623915
  H      -5.062340      1.066126      8.094599
  H      -4.446333      2.727895      8.124638
  H      -3.011412      0.176039      7.263561
  H      -2.547917      1.265136      8.593522
  C      -3.784882     -0.544005      4.445328
  C      -3.391235     -1.466542      3.270772
  C      -3.324753     -0.718561      1.944811
  O      -4.672153     -0.370681      1.565722
  C      -4.834134      0.032011      0.254183
  C      -5.605938     -0.724262     -0.609680
  C      -5.780007     -0.278425     -1.928601
  N      -5.245164      0.827067     -2.417735
  C      -4.491039      1.586773     -1.586967
  C      -3.916425      2.791376     -2.054866
  C      -3.171943      3.558674     -1.179647
  C      -3.010736      3.122650      0.139316
  N      -3.522214      2.001916      0.612547
  C      -4.253685      1.234768     -0.223577
  C      -3.923860      5.233622      5.816464
  C      -5.001231      5.451743      4.749794
  C      -4.393605      5.915973      3.416146
  O      -5.108646      5.394476      2.300699
  C      -6.349088      5.839003      1.974104
  C      -6.940694      7.022576      2.376871
  C      -8.188924      7.364331      1.834890
  N      -8.839506      6.649788      0.935498
  C      -8.285190      5.477727      0.542696
  C      -8.926485      4.683910     -0.437735
  C      -8.360248      3.475405     -0.784810
  C      -7.201932      3.052921     -0.115253
  N      -6.551278      3.772589      0.779160
  C      -7.059830      4.993488      1.079530
  C      -6.293803      1.877704      6.075168
  C      -7.065040      3.036315      6.762490
  C      -8.281972      3.460615      5.950540
  O      -7.845824      3.996418      4.691987
  C      -8.782565      3.857014      3.686100
  C      -9.768337      4.812352      3.492653
  C     -10.694510      4.625995      2.464747
  N     -10.706022      3.572288      1.662074
  C      -9.762576      2.618513      1.849384
  C      -9.761190      1.468768      1.033233
  C      -8.800695      0.491602      1.250585
  C      -7.835663      0.698017      2.234982
  N      -7.786199      1.773612      3.019600
  C      -8.746087      2.719490      2.848077
  H      -3.892437     -1.172945      5.352298
  H      -4.762231     -0.095221      4.218232
  H      -2.411128     -1.913260      3.463251
  H      -4.132969     -2.267421      3.184060
  H      -2.889547     -1.358889      1.164059
  H      -2.717986      0.193539      2.038453
  H      -6.065547     -1.642293     -0.262522
  H      -6.381796     -0.856601     -2.625874
  H      -4.084262      3.083590     -3.085072
  H      -2.717750      4.491150     -1.491311
  H      -2.431089      3.699605      0.855604
  H      -3.366469      6.177729      5.927218
  H      -4.425582      5.025670      6.781503
  H      -5.737418      6.181105      5.100797
  H      -5.520423      4.499377      4.583957
  H      -3.390562      5.485902      3.286943
  H      -4.318186      7.009720      3.358950
  H      -6.462744      7.695566      3.077437
  H      -8.673885      8.289431      2.138194
  H      -9.846187      5.043680     -0.882198
  H      -8.808199      2.834431     -1.535223
  H      -6.784513      2.068926     -0.310805
  H      -6.649750      0.924312      6.508630
  H      -6.554899      1.882927      5.004557
  H      -6.402733      3.903387      6.852327
  H      -7.404236      2.746124      7.761307
  H      -8.857878      4.234841      6.480049
  H      -8.939230      2.596570      5.773056
  H      -9.809304      5.689893      4.127414
  H     -11.468294      5.365683      2.278257
  H     -10.520995      1.371042      0.266944
  H      -8.780971     -0.412504      0.652877
  H      -7.044195     -0.030015      2.403624
  N      -4.636630      2.703125      3.047724
  H      -4.227649      3.425921      2.460653
  H      -5.598569      2.999704      3.225192
  H      -4.706354      1.871591      2.457812
  N      -1.894157      2.716442      3.522725
  N      -0.891255      2.945192      2.732993
104
Coordinates from ORCA-job orca E -6540.249451617001
  N      -2.831528      0.512009      4.668056
  Mo     -3.509478      2.347317      4.834581
  N      -4.863539      1.980340      6.196159
  C      -4.409663      1.778723      7.575520
  C      -2.984439      1.220838      7.590386
  N      -2.139880      1.975170      6.632256
  C      -1.012698      1.157299      6.139845
  C      -1.545734      0.080211      5.170128
  C      -1.641158      3.234463      7.221935
  C      -1.688532      4.288578      6.110349
  N      -2.992128      4.168070      5.492921
  H      -0.814903     -0.065451      4.356397
  H      -1.652694     -0.887129      5.693337
  H      -0.327758      1.825116      5.605853
  H      -0.470704      0.691266      6.979140
  H      -1.516389      5.291900      6.526524
  H      -0.897897      4.089529      5.367828
  H      -2.319166      3.547414      8.025739
  H      -0.629969      3.108045      7.637046
  H      -5.071714      1.070110      8.102253
  H      -4.448339      2.732353      8.135733
  H      -3.021478      0.173170      7.270015
  H      -2.555364      1.260085      8.604854
  C      -3.787861     -0.555616      4.436697
  C      -3.387335     -1.472498      3.257280
  C      -3.315807     -0.733129      1.926286
  O      -4.668603     -0.392029      1.536682
  C      -4.842597      0.006189      0.226434
  C      -5.612720     -0.757210     -0.635073
  C      -5.800951     -0.309278     -1.956819
  N      -5.280960      0.809049     -2.453278
  C      -4.527312      1.576358     -1.619147
  C      -3.967602      2.795390     -2.080330
  C      -3.227741      3.569305     -1.201573
  C      -3.052601      3.125664      0.117099
  N      -3.549389      1.991144      0.583819
  C      -4.277600      1.218913     -0.255020
  C      -3.913337      5.250435      5.825662
  C      -4.986319      5.475443      4.755617
  C      -4.372222      5.936586      3.422660
  O      -5.090287      5.418952      2.301863
  C      -6.322843      5.872061      1.979604
  C      -6.902705      7.060563      2.391879
  C      -8.154507      7.416652      1.854664
  N      -8.819791      6.711086      0.950475
  C      -8.271115      5.530291      0.550809
  C      -8.923258      4.739431     -0.427755
  C      -8.370022      3.523730     -0.779198
  C      -7.205057      3.088018     -0.117398
  N      -6.542229      3.804528      0.776448
  C      -7.043633      5.032299      1.081700
  C      -6.308924      1.889960      6.072759
  C      -7.086523      3.047516      6.758834
  C      -8.302501      3.465344      5.945640
  O      -7.861753      3.997551      4.683932
  C      -8.788950      3.845518      3.675710
  C      -9.776953      4.791936      3.450928
  C     -10.691166      4.579753      2.408844
  N     -10.684923      3.508033      1.619791
  C      -9.732122      2.562387      1.841947
  C      -9.700379      1.395982      1.044228
  C      -8.734629      0.431155      1.298048
  C      -7.787146      0.663411      2.302889
  N      -7.762445      1.756435      3.069572
  C      -8.731066      2.689921      2.859037
  H      -3.896475     -1.186584      5.343852
  H      -4.767928     -0.109687      4.209737
  H      -2.403540     -1.916603      3.455152
  H      -4.128039     -2.278325      3.169140
  H      -2.874802     -1.377233      1.149737
  H      -2.712029      0.181741      2.016705
  H      -6.062206     -1.683877     -0.285698
  H      -6.404097     -0.898244     -2.649988
  H      -4.145525      3.094007     -3.110956
  H      -2.786083      4.514761     -1.505058
  H      -2.476778      3.709264      0.836988
  H      -3.348507      6.191752      5.939460
  H      -4.419741      5.044899      6.790521
  H      -5.720575      6.209752      5.107232
  H      -5.514172      4.526740      4.586748
  H      -3.370286      5.502029      3.289599
  H      -4.290083      7.032527      3.368212
  H      -6.413268      7.727023      3.097071
  H      -8.628474      8.348557      2.168717
  H      -9.846798      5.107450     -0.866640
  H      -8.833947      2.883729     -1.526599
  H      -6.796863      2.096512     -0.317837
  H      -6.666327      0.934728      6.504373
  H      -6.567499      1.896173      4.997607
  H      -6.423694      3.917752      6.852392
  H      -7.430519      2.756810      7.759439
  H      -8.885865      4.239038      6.471688
  H      -8.955693      2.595911      5.767877
  H      -9.830675      5.685465      4.068345
  H     -11.466932      5.316845      2.199093
  H     -10.443770      1.279690      0.259363
  H      -8.693345     -0.485595      0.713859
  H      -6.992714     -0.058749      2.497995
  N      -4.660794      2.713172      3.057174
  H      -4.261029      3.435978      2.459955
  H      -5.627052      3.009120      3.236482
  H      -4.733355      1.877652      2.468139
  N      -1.892759      2.715038      3.538425
  N      -0.992697      2.914994      2.850120
104
Coordinates from ORCA-job orca E -6540.255921473212
  N      -2.815457      0.498935      4.673256
  Mo     -3.480125      2.349855      4.837935
  N      -4.852854      2.004030      6.196833
  C      -4.402962      1.811015      7.580504
  C      -2.981848      1.247003      7.607421
  N      -2.124102      1.990435      6.646527
  C      -0.999411      1.159712      6.159429
  C      -1.530496      0.076125      5.191958
  C      -1.623627      3.260589      7.222085
  C      -1.659699      4.304207      6.098251
  N      -2.963831      4.189606      5.473301
  H      -0.790162     -0.077815      4.385893
  H      -1.641882     -0.889284      5.719693
  H      -0.309528      1.825289      5.626659
  H      -0.459565      0.699414      7.005170
  H      -1.484903      5.312161      6.506518
  H      -0.860510      4.095645      5.366707
  H      -2.306344      3.581706      8.019896
  H      -0.615142      3.132201      7.648146
  H      -5.071569      1.109952      8.111758
  H      -4.439795      2.769663      8.135565
  H      -3.017975      0.196677      7.292233
  H      -2.557019      1.290370      8.625180
  C      -3.773617     -0.572300      4.436176
  C      -3.369270     -1.502067      3.270161
  C      -3.281390     -0.791025      1.928451
  O      -4.628274     -0.452527      1.508314
  C      -4.762714     -0.070982      0.190642
  C      -5.506334     -0.847262     -0.685542
  C      -5.660703     -0.413811     -2.015955
  N      -5.137327      0.705796     -2.514699
  C      -4.410529      1.486649     -1.665134
  C      -3.861214      2.713402     -2.118317
  C      -3.163554      3.513486     -1.225635
  C      -3.010744      3.081273      0.100445
  N      -3.492538      1.933460      0.562907
  C      -4.189140      1.142098     -0.289879
  C      -3.887952      5.273226      5.801338
  C      -4.955544      5.482486      4.729041
  C      -4.350225      5.955054      3.401231
  O      -5.050414      5.415544      2.273055
  C      -6.306557      5.815105      1.977951
  C      -6.937713      6.952729      2.455850
  C      -8.219033      7.267795      1.960551
  N      -8.868909      6.578810      1.032281
  C      -8.267567      5.445004      0.568481
  C      -8.907198      4.663496     -0.425197
  C      -8.316592      3.484567     -0.832710
  C      -7.115151      3.074526     -0.218862
  N      -6.460252      3.784435      0.688884
  C      -7.007015      4.977936      1.054102
  C      -6.299934      1.927065      6.060551
  C      -7.080127      3.068591      6.765083
  C      -8.321592      3.478300      5.989169
  O      -7.944909      4.054524      4.720553
  C      -8.920610      3.910119      3.757144
  C      -9.947072      4.833041      3.627157
  C     -10.919418      4.630342      2.635294
  N     -10.923354      3.600317      1.790109
  C      -9.916190      2.689027      1.902425
  C      -9.859878      1.591715      1.010831
  C      -8.830893      0.667359      1.136638
  C      -7.845759      0.870655      2.113678
  N      -7.840688      1.902320      2.964632
  C      -8.866237      2.796913      2.874580
  H      -3.889917     -1.190492      5.350525
  H      -4.752762     -0.128102      4.203540
  H      -2.386629     -1.948143      3.482845
  H      -4.109307     -2.312445      3.191199
  H      -2.832832     -1.451794      1.169100
  H      -2.677235      0.124977      2.005022
  H      -5.962625     -1.774481     -0.339763
  H      -6.243906     -1.018511     -2.715685
  H      -4.023310      3.003924     -3.156027
  H      -2.743182      4.474395     -1.521042
  H      -2.481820      3.693764      0.835371
  H      -3.322789      6.216537      5.921444
  H      -4.397557      5.070881      6.765248
  H      -5.704621      6.203500      5.081307
  H      -5.473529      4.530707      4.561532
  H      -3.335892      5.551446      3.268343
  H      -4.298467      7.054822      3.349187
  H      -6.467400      7.608533      3.186940
  H      -8.729173      8.160563      2.333418
  H      -9.861482      5.004724     -0.823546
  H      -8.783763      2.843845     -1.580569
  H      -6.677839      2.105423     -0.466706
  H      -6.655388      0.966319      6.483411
  H      -6.558742      1.943422      4.985078
  H      -6.423513      3.945028      6.870936
  H      -7.406750      2.759995      7.768796
  H      -8.905462      4.227103      6.551817
  H      -8.965828      2.600444      5.812332
  H      -9.985539      5.707881      4.275641
  H     -11.727425      5.354344      2.507484
  H     -10.627067      1.506640      0.241764
  H      -8.764790     -0.192508      0.470177
  H      -6.999439      0.181653      2.200754
  N      -4.694370      2.699329      3.071026
  H      -4.317209      3.412803      2.441488
  H      -5.665308      2.985148      3.256340
  H      -4.768255      1.854269      2.493666
  N      -1.862057      2.695798      3.539215
  N      -0.989852      2.874452      2.889228
104
Coordinates from ORCA-job orca E -6540.263152212857
  N      -2.819461      0.468869      4.668109
  Mo     -3.482451      2.326026      4.845626
  N      -4.870648      1.997072      6.197938
  C      -4.426243      1.797592      7.580091
  C      -3.004312      1.220691      7.616022
  N      -2.142366      1.979919      6.666110
  C      -1.002704      1.170976      6.175069
  C      -1.523136      0.079941      5.199459
  C      -1.666554      3.259390      7.252488
  C      -1.685791      4.298997      6.119332
  N      -2.973800      4.182816      5.473931
  H      -0.774629     -0.062454      4.396458
  H      -1.618749     -0.888869      5.726465
  H      -0.319525      1.854678      5.654577
  H      -0.454990      0.713416      7.019260
  H      -1.522269      5.311739      6.525065
  H      -0.866863      4.090405      5.408941
  H      -2.364186      3.566730      8.044114
  H      -0.662201      3.139934      7.695367
  H      -5.105184      1.100262      8.106085
  H      -4.457640      2.754389      8.141745
  H      -3.027204      0.170717      7.295066
  H      -2.589400      1.259143      8.639698
  C      -3.761508     -0.616085      4.416542
  C      -3.345476     -1.529344      3.241811
  C      -3.273770     -0.818467      1.900450
  O      -4.630433     -0.500270      1.490949
  C      -4.798168     -0.110035      0.180857
  C      -5.551605     -0.895200     -0.681833
  C      -5.762040     -0.451807     -2.000430
  N      -5.289856      0.689035     -2.506913
  C      -4.554952      1.479811     -1.670148
  C      -4.066945      2.731868     -2.123587
  C      -3.366394      3.548386     -1.246301
  C      -3.142220      3.102915      0.064942
  N      -3.563986      1.929117      0.531494
  C      -4.271821      1.125505     -0.305724
  C      -3.896184      5.271690      5.803460
  C      -4.941368      5.528442      4.722666
  C      -4.303254      6.036810      3.425944
  O      -4.990351      5.546296      2.264191
  C      -6.230036      5.983877      1.963893
  C      -6.831194      7.134712      2.448876
  C      -8.104742      7.487101      1.953267
  N      -8.777013      6.822878      1.023612
  C      -8.206031      5.670003      0.561278
  C      -8.879035      4.891527     -0.411751
  C      -8.333417      3.686430     -0.802833
  C      -7.127587      3.252145     -0.206498
  N      -6.444095      3.955929      0.683984
  C      -6.955651      5.167217      1.040063
  C      -6.318525      1.937342      6.044373
  C      -7.096823      3.081144      6.746419
  C      -8.336020      3.474941      5.964984
  O      -7.941587      4.025017      4.687601
  C      -8.882865      3.823961      3.701967
  C      -9.894772      4.739063      3.457086
  C     -10.818683      4.469494      2.432704
  N     -10.786479      3.386419      1.654839
  C      -9.787885      2.484202      1.879167
  C      -9.673163      1.339798      1.052448
  C      -8.658026      0.425134      1.296186
  C      -7.737104      0.681920      2.324041
  N      -7.776603      1.764776      3.108641
  C      -8.791730      2.651460      2.900330
  H      -3.870056     -1.238743      5.328959
  H      -4.749098     -0.186400      4.192116
  H      -2.353793     -1.964081      3.448273
  H      -4.070851     -2.356074      3.166470
  H      -2.820598     -1.472633      1.136670
  H      -2.686090      0.109095      1.970451
  H      -5.976022     -1.838379     -0.332152
  H      -6.355214     -1.069077     -2.683905
  H      -4.282442      3.031370     -3.151155
  H      -2.998866      4.534189     -1.538894
  H      -2.612342      3.733397      0.786751
  H      -3.315229      6.203098      5.955845
  H      -4.421726      5.062657      6.758115
  H      -5.684923      6.250167      5.089396
  H      -5.482702      4.596058      4.516793
  H      -3.292926      5.622717      3.295838
  H      -4.232149      7.138136      3.411584
  H      -6.342063      7.773609      3.185173
  H      -8.586639      8.394541      2.334697
  H      -9.834447      5.251097     -0.797179
  H      -8.844076      3.038417     -1.518268
  H      -6.718850      2.265107     -0.447072
  H      -6.683676      0.975041      6.457914
  H      -6.568269      1.960510      4.964708
  H      -6.437945      3.958106      6.856205
  H      -7.428756      2.779418      7.752961
  H      -8.933784      4.226489      6.511509
  H      -8.971688      2.588520      5.792515
  H      -9.952040      5.665925      4.030986
  H     -11.611237      5.192522      2.215258
  H     -10.379356      1.220833      0.228467
  H      -8.547443     -0.470172      0.680676
  H      -6.905317     -0.006422      2.501896
  N      -4.777694      2.658936      3.105697
  H      -4.415605      3.332336      2.424065
  H      -5.740651      2.969105      3.305722
  H      -4.888566      1.793825      2.562642
  N      -1.866758      2.654996      3.539163
  N      -0.976379      2.825089      2.888575
104
Coordinates from ORCA-job orca E -6540.266435130497
  N      -2.754951      0.466799      4.689626
  Mo     -3.430079      2.326235      4.839155
  N      -4.830653      2.002368      6.183500
  C      -4.399148      1.824508      7.572530
  C      -2.977493      1.260272      7.623257
  N      -2.108893      2.007884      6.672346
  C      -0.964158      1.193622      6.200025
  C      -1.466278      0.088042      5.240150
  C      -1.645092      3.300089      7.240049
  C      -1.664395      4.326450      6.097044
  N      -2.950938      4.202413      5.440689
  H      -0.706705     -0.067518      4.450151
  H      -1.564183     -0.872644      5.781570
  H      -0.279975      1.871656      5.675359
  H      -0.420055      0.751950      7.055211
  H      -1.506205      5.342246      6.496784
  H      -0.837339      4.115640      5.395541
  H      -2.352032      3.613545      8.020394
  H      -0.645637      3.189148      7.696481
  H      -5.074952      1.128174      8.103721
  H      -4.443684      2.786368      8.123305
  H      -2.992652      0.208216      7.310580
  H      -2.569024      1.310128      8.648698
  C      -3.688372     -0.625375      4.453101
  C      -3.279189     -1.554717      3.294311
  C      -3.221287     -0.858637      1.947459
  O      -4.581982     -0.535489      1.553342
  C      -4.745955     -0.146847      0.245604
  C      -5.534025     -0.905393     -0.606528
  C      -5.739701     -0.461990     -1.924990
  N      -5.229421      0.652300     -2.440535
  C      -4.458465      1.414966     -1.613400
  C      -3.925842      2.636711     -2.079951
  C      -3.191300      3.428403     -1.214566
  C      -2.977501      2.987469      0.101174
  N      -3.434472      1.837822      0.578439
  C      -4.176377      1.060168     -0.249987
  C      -3.893230      5.270383      5.773622
  C      -4.955126      5.491738      4.705069
  C      -4.341709      5.995109      3.399156
  O      -5.027858      5.485394      2.242514
  C      -6.283948      5.903606      1.971768
  C      -6.903496      7.027224      2.513018
  C      -8.189736      7.382242      2.049996
  N      -8.861754      6.746774      1.100642
  C      -8.275092      5.621093      0.580213
  C      -8.946861      4.881504     -0.422712
  C      -8.383416      3.707175     -0.885145
  C      -7.161158      3.260907     -0.328995
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  C      -7.008207      5.114404      1.018002
  C      -6.274425      1.929814      6.017096
  C      -7.068845      3.060148      6.716573
  C      -8.334168      3.428569      5.958868
  O      -7.994531      4.021794      4.675913
  C      -8.980504      3.861313      3.724096
  C     -10.017540      4.772792      3.597902
  C     -10.998568      4.557741      2.617487
  N     -10.997784      3.531014      1.770345
  C      -9.965976      2.639899      1.865453
  C      -9.871941      1.562872      0.947605
  C      -8.812160      0.664024      1.043458
  C      -7.837778      0.866755      2.027034
  N      -7.864958      1.880501      2.901225
  C      -8.914137      2.753187      2.833517
  H      -3.794315     -1.233581      5.376314
  H      -4.678755     -0.201562      4.227811
  H      -2.286758     -1.987600      3.498223
  H      -4.001450     -2.385557      3.237336
  H      -2.780755     -1.521314      1.184235
  H      -2.630837      0.069105      2.000377
  H      -5.989949     -1.827381     -0.248763
  H      -6.359440     -1.059390     -2.599714
  H      -4.136732      2.934509     -3.107580
  H      -2.793776      4.392667     -1.520841
  H      -2.434011      3.606118      0.820187
  H      -3.330252      6.211628      5.918057
  H      -4.407086      5.060949      6.734889
  H      -5.710416      6.198430      5.077655
  H      -5.482335      4.550274      4.516099
  H      -3.324040      5.600258      3.272530
  H      -4.292706      7.095751      3.371245
  H      -6.418334      7.644382      3.270273
  H      -8.682043      8.267943      2.478988
  H      -9.912821      5.247972     -0.777684
  H      -8.888703      3.093067     -1.629082
  H      -6.732760      2.298507     -0.637218
  H      -6.631881      0.962576      6.426132
  H      -6.517704      1.947451      4.942506
  H      -6.430028      3.951054      6.821747
  H      -7.378024      2.754337      7.728816
  H      -8.938156      4.157385      6.531123
  H      -8.954743      2.531136      5.790654
  H     -10.052886      5.654338      4.233070
  H     -11.817020      5.277390      2.502662
  H     -10.622882      1.484519      0.166424
  H      -8.709009     -0.176001      0.349398
  H      -6.972160      0.189676      2.090302
  N      -4.741643      2.603069      3.087318
  H      -4.393138      3.269168      2.383161
  H      -5.713407      2.888264      3.275317
  H      -4.828649      1.722965      2.562953
  N      -1.810225      2.654091      3.538673
  N      -0.883427      2.821660      2.891352
104
Coordinates from ORCA-job orca E -6540.270468628218
  N      -2.711476      0.445471      4.708413
  Mo     -3.394875      2.316000      4.860904
  N      -4.819371      1.990333      6.191306
  C      -4.403771      1.822227      7.587269
  C      -2.985773      1.265963      7.649601
  N      -2.103049      2.008560      6.705093
  C      -0.952828      1.191706      6.241061
  C      -1.428840      0.082870      5.279174
  C      -1.650034      3.311045      7.262759
  C      -1.661113      4.331846      6.117991
  N      -2.946436      4.218220      5.442908
  H      -0.651048     -0.070305      4.504924
  H      -1.525605     -0.879390      5.819528
  H      -0.267442      1.875167      5.724123
  H      -0.412034      0.757602      7.103447
  H      -1.502504      5.347886      6.519756
  H      -0.822639      4.119814      5.429440
  H      -2.368427      3.624638      8.032683
  H      -0.657566      3.200068      7.736899
  H      -5.080646      1.124931      8.118101
  H      -4.458595      2.785115      8.136414
  H      -2.993638      0.214479      7.334616
  H      -2.584185      1.316411      8.678433
  C      -3.622114     -0.663580      4.458891
  C      -3.202645     -1.577428      3.296721
  C      -3.174802     -0.879551      1.956006
  O      -4.552253     -0.582463      1.589740
  C      -4.753001     -0.188863      0.292356
  C      -5.561876     -0.955823     -0.533283
  C      -5.829990     -0.507421     -1.840748
  N      -5.365721      0.624362     -2.372893
  C      -4.575930      1.396737     -1.569836
  C      -4.098019      2.640243     -2.053083
  C      -3.350381      3.449957     -1.218648
  C      -3.064697      3.001303      0.088386
  N      -3.463576      1.828225      0.581701
  C      -4.222381      1.035335     -0.219860
  C      -3.899209      5.278036      5.775405
  C      -4.958890      5.503243      4.705682
  C      -4.341391      6.008776      3.408144
  O      -5.026728      5.514267      2.234005
  C      -6.266723      5.964987      1.963751
  C      -6.843617      7.094642      2.516024
  C      -8.112821      7.496755      2.056021
  N      -8.814028      6.901524      1.102997
  C      -8.270910      5.767777      0.574787
  C      -8.976693      5.062614     -0.427859
  C      -8.464442      3.880953     -0.905860
  C      -7.251171      3.395707     -0.370943
  N      -6.539512      4.028366      0.550969
  C      -7.022131      5.215994      0.999573
  C      -6.259342      1.917698      5.994126
  C      -7.065646      3.045996      6.675333
  C      -8.322659      3.400124      5.905866
  O      -7.975472      3.993825      4.626039
  C      -8.941374      3.807528      3.663884
  C      -9.966331      4.716664      3.498684
  C     -10.928312      4.483714      2.502769
  N     -10.925684      3.444564      1.673559
  C      -9.901801      2.560684      1.800443
  C      -9.801299      1.481043      0.895329
  C      -8.752950      0.593203      1.020327
  C      -7.795509      0.801900      2.025769
  N      -7.830555      1.817603      2.889938
  C      -8.867039      2.685549      2.788655
  H      -3.717567     -1.274753      5.381294
  H      -4.622452     -0.257637      4.243587
  H      -2.199713     -1.993624      3.489564
  H      -3.904757     -2.428079      3.246762
  H      -2.737344     -1.531636      1.183429
  H      -2.604053      0.061400      1.998178
  H      -5.989638     -1.889703     -0.161874
  H      -6.467511     -1.117335     -2.490255
  H      -4.364591      2.941785     -3.070789
  H      -3.000998      4.435118     -1.541450
  H      -2.516781      3.638798      0.787975
  H      -3.335081      6.219104      5.934686
  H      -4.418256      5.067711      6.735001
  H      -5.714811      6.207149      5.085984
  H      -5.497635      4.566628      4.512471
  H      -3.327474      5.607070      3.291179
  H      -4.282640      7.110180      3.384859
  H      -6.334646      7.683482      3.278762
  H      -8.562753      8.390292      2.497335
  H      -9.930893      5.460492     -0.769691
  H      -9.001143      3.287960     -1.648284
  H      -6.859067      2.433124     -0.705713
  H      -6.625363      0.947812      6.391875
  H      -6.481756      1.933471      4.916881
  H      -6.432160      3.940446      6.790549
  H      -7.383932      2.745575      7.687072
  H      -8.936435      4.124932      6.467444
  H      -8.936498      2.498979      5.730918
  H     -10.005177      5.617615      4.112139
  H     -11.735454      5.204497      2.365691
  H     -10.539428      1.401507      0.095026
  H      -8.643060     -0.244614      0.334799
  H      -6.945177      0.125646      2.112291
  N      -4.781074      2.532364      3.118528
  H      -4.471729      3.187900      2.379411
  H      -5.762874      2.783136      3.308787
  H      -4.845304      1.636947      2.615141
  N      -1.774829      2.648239      3.567051
  N      -0.844394      2.813465      2.947201
104
Coordinates from ORCA-job orca E -6540.272917952503
  N      -2.788094      0.441929      4.687999
  Mo     -3.422449      2.336115      4.852642
  N      -4.847772      2.041979      6.198179
  C      -4.426106      1.871484      7.589632
  C      -3.025208      1.279904      7.637328
  N      -2.134343      1.995500      6.683163
  C      -1.011887      1.147338      6.216422
  C      -1.520332      0.049069      5.264478
  C      -1.647343      3.288355      7.230207
  C      -1.638408      4.307334      6.086389
  N      -2.927914      4.236034      5.415792
  H      -0.744662     -0.129125      4.494414
  H      -1.642583     -0.908159      5.808464
  H      -0.312902      1.810702      5.692654
  H      -0.477157      0.704707      7.077677
  H      -1.445421      5.317965      6.486239
  H      -0.812681      4.072281      5.392693
  H      -2.354244      3.619861      8.002247
  H      -0.658152      3.152987      7.701323
  H      -5.112902      1.191231      8.130646
  H      -4.454337      2.836866      8.136263
  H      -3.064118      0.229728      7.323036
  H      -2.609598      1.319679      8.660082
  C      -3.709502     -0.651114      4.421426
  C      -3.274322     -1.565607      3.264275
  C      -3.202158     -0.870812      1.920808
  O      -4.566719     -0.565217      1.504287
  C      -4.719615     -0.170930      0.201019
  C      -5.502775     -0.936823     -0.650974
  C      -5.718966     -0.497036     -1.968232
  N      -5.226968      0.625546     -2.484082
  C      -4.463120      1.398318     -1.654465
  C      -3.956093      2.633787     -2.121987
  C      -3.239780      3.447019     -1.260448
  C      -3.015317      3.011507      0.057076
  N      -3.438309      1.845921      0.534192
  C      -4.164884      1.047145     -0.293635
  C      -3.848365      5.316946      5.755681
  C      -4.912471      5.556095      4.690064
  C      -4.298461      6.033111      3.380320
  O      -4.996928      5.526852      2.219419
  C      -6.248386      5.959071      1.966671
  C      -6.857034      7.064581      2.545859
  C      -8.149097      7.437315      2.114518
  N      -8.849569      6.829551      1.170876
  C      -8.274717      5.718880      0.615135
  C      -8.983546      4.998704     -0.376156
  C      -8.434516      3.844397     -0.889642
  C      -7.176700      3.402463     -0.405271
  N      -6.466428      4.048466      0.508160
  C      -6.991967      5.205808      0.998903
  C      -6.290488      1.984185      6.025078
  C      -7.076694      3.120287      6.718708
  C      -8.360663      3.454141      5.986881
  O      -8.039950      4.038104      4.697597
  C      -9.001552      3.811569      3.740980
  C     -10.055900      4.690201      3.553841
  C     -11.001494      4.417982      2.545784
  N     -10.954801      3.367873      1.726552
  C      -9.902853      2.512200      1.877126
  C      -9.754224      1.420835      0.982625
  C      -8.678672      0.563272      1.136477
  C      -7.748159      0.806196      2.166833
  N      -7.828977      1.832707      3.019527
  C      -8.886754      2.676864      2.883237
  H      -3.828359     -1.266028      5.339264
  H      -4.700877     -0.232358      4.194683
  H      -2.280432     -1.990592      3.480809
  H      -3.977390     -2.411765      3.197361
  H      -2.747177     -1.529754      1.162235
  H      -2.627599      0.064368      1.975572
  H      -5.948331     -1.865222     -0.292835
  H      -6.333154     -1.107857     -2.638305
  H      -4.175733      2.925116     -3.148582
  H      -2.869650      4.423366     -1.572370
  H      -2.496628      3.652232      0.778393
  H      -3.262750      6.247305      5.906822
  H      -4.364927      5.122660      6.720097
  H      -5.652966      6.275211      5.071001
  H      -5.470875      4.627387      4.511923
  H      -3.289910      5.616934      3.264909
  H      -4.227980      7.130704      3.333902
  H      -6.359044      7.655274      3.312031
  H      -8.622588      8.310501      2.579998
  H      -9.968196      5.365222     -0.682378
  H      -8.972342      3.241755     -1.624526
  H      -6.749247      2.465614     -0.776000
  H      -6.660922      1.017723      6.426558
  H      -6.533608      1.997126      4.954373
  H      -6.446706      4.018715      6.800326
  H      -7.358247      2.833136      7.744511
  H      -8.971192      4.176753      6.554501
  H      -8.965873      2.544283      5.831612
  H     -10.129661      5.597579      4.158679
  H     -11.832896      5.112845      2.394007
  H     -10.477407      1.311035      0.168285
  H      -8.530223     -0.281237      0.459640
  H      -6.888103      0.145928      2.287899
  N      -4.841780      2.549513      3.125802
  H      -4.536364      3.190863      2.381176
  H      -5.821793      2.802845      3.324136
  H      -4.911527      1.649671      2.632691
  N      -1.809274      2.633123      3.546168
  N      -0.887727      2.776769      2.910143
104
Coordinates from ORCA-job orca E -6540.275113064042
  N      -2.769537      0.432323      4.702950
  Mo     -3.404200      2.331504      4.868659
  N      -4.834733      2.033018      6.213847
  C      -4.416775      1.876112      7.606067
  C      -3.015473      1.286132      7.655545
  N      -2.128834      1.998976      6.698697
  C      -1.002898      1.152542      6.242030
  C      -1.507595      0.043898      5.298913
  C      -1.652686      3.298994      7.240963
  C      -1.643487      4.314375      6.096756
  N      -2.925756      4.243288      5.416577
  H      -0.722006     -0.146085      4.541065
  H      -1.635268     -0.907916      5.852450
  H      -0.304378      1.814611      5.714998
  H      -0.467669      0.719798      7.108240
  H      -1.451299      5.325956      6.496766
  H      -0.816862      4.080629      5.404734
  H      -2.367461      3.628498      8.007655
  H      -0.666826      3.172710      7.720940
  H      -5.100694      1.198224      8.152595
  H      -4.449002      2.845138      8.145903
  H      -3.054241      0.234800      7.342616
  H      -2.595745      1.328410      8.676660
  C      -3.677330     -0.666552      4.421195
  C      -3.231667     -1.559473      3.250992
  C      -3.179643     -0.844279      1.916684
  O      -4.553040     -0.547677      1.515364
  C      -4.726770     -0.141455      0.217818
  C      -5.532567     -0.896598     -0.620923
  C      -5.766485     -0.454179     -1.935956
  N      -5.266759      0.659339     -2.459207
  C      -4.479961      1.421922     -1.642782
  C      -3.961768      2.648055     -2.122856
  C      -3.221449      3.450617     -1.274730
  C      -2.989489      3.018802      0.043343
  N      -3.424828      1.866099      0.530391
  C      -4.169886      1.072542     -0.285360
  C      -3.849094      5.314311      5.762056
  C      -4.925458      5.535212      4.703725
  C      -4.325784      5.983823      3.375534
  O      -5.040430      5.464027      2.232461
  C      -6.278874      5.920528      1.963960
  C      -6.869740      7.042519      2.522111
  C      -8.142186      7.441861      2.065455
  N      -8.841358      6.840139      1.116622
  C      -8.285038      5.714375      0.579300
  C      -8.990004      5.003397     -0.422818
  C      -8.453291      3.840149     -0.927281
  C      -7.214416      3.383378     -0.424614
  N      -6.507348      4.021727      0.495694
  C      -7.021038      5.182511      0.984666
  C      -6.276394      1.968159      6.048104
  C      -7.061005      3.116347      6.721665
  C      -8.350617      3.428764      5.990689
  O      -8.029113      4.004473      4.697588
  C      -8.992730      3.805014      3.739726
  C     -10.037891      4.699798      3.569172
  C     -10.989599      4.456221      2.560292
  N     -10.958159      3.415531      1.729358
  C      -9.915148      2.544969      1.863047
  C      -9.790933      1.456980      0.963168
  C      -8.719852      0.587274      1.095318
  C      -7.777787      0.808002      2.118466
  N      -7.844351      1.823435      2.982446
  C      -8.892429      2.684348      2.863492
  H      -3.791303     -1.297798      5.328942
  H      -4.674257     -0.255894      4.201967
  H      -2.229721     -1.969470      3.456270
  H      -3.917925     -2.418551      3.176010
  H      -2.728200     -1.487949      1.144625
  H      -2.615003      0.096058      1.977642
  H      -5.980374     -1.820619     -0.255154
  H      -6.397589     -1.057177     -2.596447
  H      -4.187735      2.936516     -3.148973
  H      -2.836315      4.414018     -1.599285
  H      -2.445280      3.648028      0.751759
  H      -3.274206      6.251762      5.901795
  H      -4.356631      5.121269      6.731825
  H      -5.661488      6.258038      5.083607
  H      -5.483437      4.602599      4.549584
  H      -3.321914      5.554289      3.259392
  H      -4.246433      7.078209      3.300492
  H      -6.370476      7.628333      3.290105
  H      -8.597951      8.329381      2.511909
  H      -9.956513      5.386689     -0.747237
  H      -8.982922      3.247329     -1.673500
  H      -6.796847      2.443844     -0.791484
  H      -6.649930      1.007220      6.459484
  H      -6.524236      1.963637      4.981025
  H      -6.436563      4.020184      6.772536
  H      -7.326503      2.855256      7.758155
  H      -8.965380      4.154099      6.550147
  H      -8.949261      2.513991      5.843720
  H     -10.101864      5.594390      4.190162
  H     -11.817538      5.161226      2.424947
  H     -10.529949      1.357003      0.166864
  H      -8.586493     -0.252374      0.411563
  H      -6.923882      0.132004      2.230325
  N      -4.829009      2.501584      3.137511
  H      -4.539264      3.143612      2.396977
  H      -5.818084      2.721792      3.329429
  H      -4.863845      1.596787      2.654122
  N      -1.791946      2.634607      3.570576
  N      -0.874567      2.786577      2.927137
104
Coordinates from ORCA-job orca E -6540.276710124877
  N      -2.751010      0.416281      4.724019
  Mo     -3.380204      2.325271      4.882381
  N      -4.824669      2.031493      6.223032
  C      -4.414264      1.890020      7.618914
  C      -3.012459      1.299537      7.677586
  N      -2.125279      2.006331      6.716772
  C      -0.994660      1.158151      6.274778
  C      -1.496103      0.034725      5.345031
  C      -1.660025      3.316311      7.251988
  C      -1.644227      4.324469      6.102672
  N      -2.918921      4.253158      5.407077
  H      -0.698745     -0.174629      4.603342
  H      -1.633276     -0.907204      5.914350
  H      -0.294943      1.815450      5.742607
  H      -0.460233      0.738006      7.148390
  H      -1.452345      5.338037      6.500601
  H      -0.811709      4.088098      5.417057
  H      -2.385326      3.646859      8.009240
  H      -0.679003      3.199962      7.746113
  H      -5.099281      1.217643      8.170886
  H      -4.449577      2.864166      8.149914
  H      -3.052432      0.246356      7.369002
  H      -2.591064      1.346206      8.698665
  C      -3.642893     -0.689620      4.425169
  C      -3.185359     -1.563595      3.246218
  C      -3.148106     -0.828045      1.923872
  O      -4.529775     -0.540037      1.540115
  C      -4.725175     -0.123883      0.250091
  C      -5.559567     -0.866758     -0.569434
  C      -5.817776     -0.421939     -1.880796
  N      -5.314236      0.683571     -2.415966
  C      -4.499699      1.435452     -1.618213
  C      -3.978542      2.655068     -2.115237
  C      -3.211503      3.449972     -1.287628
  C      -2.956644      3.018333      0.030067
  N      -3.397122      1.873801      0.532157
  C      -4.166305      1.085259     -0.266020
  C      -3.847206      5.316807      5.748773
  C      -4.925976      5.517569      4.688506
  C      -4.328751      5.947696      3.352258
  O      -5.050485      5.417675      2.218204
  C      -6.281271      5.893517      1.952295
  C      -6.861324      7.013608      2.532057
  C      -8.133151      7.434647      2.090436
  N      -8.846221      6.849491      1.141052
  C      -8.302245      5.726378      0.581177
  C      -9.024968      5.036475     -0.422819
  C      -8.498539      3.881198     -0.958023
  C      -7.252982      3.412103     -0.482963
  N      -6.531042      4.029650      0.439304
  C      -7.034893      5.180765      0.961533
  C      -6.265224      1.963275      6.054053
  C      -7.051678      3.120657      6.707259
  C      -8.346455      3.410282      5.975862
  O      -8.028655      3.980078      4.677687
  C      -8.993142      3.793643      3.720246
  C     -10.038915      4.690337      3.567813
  C     -10.993205      4.465806      2.558268
  N     -10.968169      3.437343      1.714974
  C      -9.928861      2.561602      1.834243
  C      -9.820845      1.478690      0.929257
  C      -8.753129      0.604191      1.043116
  C      -7.799686      0.812359      2.055684
  N      -7.855346      1.817810      2.928077
  C      -8.899555      2.686497      2.826983
  H      -3.754232     -1.334247      5.323991
  H      -4.644916     -0.288639      4.208629
  H      -2.176120     -1.959602      3.443501
  H      -3.855934     -2.434626      3.160511
  H      -2.700001     -1.455948      1.137867
  H      -2.593195      0.117739      1.993609
  H      -6.009419     -1.785740     -0.192294
  H      -6.472199     -1.016388     -2.526063
  H      -4.223451      2.943212     -3.139261
  H      -2.820796      4.408171     -1.629320
  H      -2.384058      3.641215      0.720823
  H      -3.283460      6.262539      5.881928
  H      -4.355290      5.127137      6.719624
  H      -5.663698      6.241914      5.062091
  H      -5.479044      4.578590      4.546904
  H      -3.327485      5.510778      3.242786
  H      -4.245990      7.042878      3.257601
  H      -6.354541      7.581152      3.310735
  H      -8.579577      8.321300      2.556227
  H      -9.995889      5.431033     -0.725734
  H      -9.038414      3.307036     -1.711428
  H      -6.843240      2.479545     -0.877458
  H      -6.645698      1.007085      6.471830
  H      -6.511210      1.945985      4.985905
  H      -6.433263      4.031108      6.728787
  H      -7.301529      2.884878      7.754239
  H      -8.968254      4.135077      6.529255
  H      -8.936497      2.488794      5.834678
  H     -10.104049      5.570105      4.207012
  H     -11.819486      5.173820      2.436875
  H     -10.573952      1.383407      0.148325
  H      -8.629533     -0.230121      0.353172
  H      -6.946963      0.130004      2.154885
  N      -4.811333      2.432582      3.144324
  H      -4.536817      3.070930      2.390983
  H      -5.808806      2.620628      3.329689
  H      -4.809830      1.514215      2.682696
  N      -1.766724      2.624680      3.595064
  N      -0.846702      2.776213      2.950414
104
Coordinates from ORCA-job orca E -6540.277847924085
  N      -2.776033      0.403171      4.725443
  Mo     -3.388496      2.323098      4.894668
  N      -4.829180      2.035132      6.248603
  C      -4.406589      1.899312      7.641731
  C      -3.007867      1.299817      7.688102
  N      -2.129556      2.001137      6.714096
  C      -1.005823      1.147315      6.265381
  C      -1.523436      0.018837      5.350421
  C      -1.658104      3.313144      7.244258
  C      -1.645758      4.321423      6.095929
  N      -2.923953      4.258432      5.403967
  H      -0.727824     -0.208859      4.612436
  H      -1.668890     -0.914572      5.932216
  H      -0.309655      1.797992      5.720774
  H      -0.462772      0.729951      7.135031
  H      -1.443073      5.333305      6.493425
  H      -0.819038      4.081268      5.404690
  H      -2.379046      3.644255      8.004526
  H      -0.675488      3.197379      7.735024
  H      -5.089967      1.233848      8.204465
  H      -4.429871      2.876075      8.169132
  H      -3.060692      0.247067      7.381025
  H      -2.571685      1.344072      8.702881
  C      -3.655986     -0.704859      4.405639
  C      -3.184530     -1.553808      3.213148
  C      -3.144409     -0.791464      1.906631
  O      -4.527449     -0.504861      1.522483
  C      -4.722486     -0.072089      0.239886
  C      -5.573456     -0.792494     -0.580565
  C      -5.827325     -0.335554     -1.889007
  N      -5.302696      0.761178     -2.418947
  C      -4.472619      1.492497     -1.619004
  C      -3.923985      2.700394     -2.113724
  C      -3.140123      3.474812     -1.285233
  C      -2.896607      3.035888      0.033650
  N      -3.362967      1.901528      0.531909
  C      -4.145409      1.130413     -0.269566
  C      -3.846520      5.326620      5.745000
  C      -4.936644      5.514497      4.691900
  C      -4.348572      5.910795      3.342111
  O      -5.081494      5.358653      2.226220
  C      -6.298643      5.851327      1.937063
  C      -6.864575      6.987986      2.490697
  C      -8.122546      7.423022      2.027455
  N      -8.836058      6.834794      1.080526
  C      -8.305192      5.697935      0.542270
  C      -9.026273      5.008783     -0.463035
  C      -8.510088      3.844497     -0.983180
  C      -7.276723      3.367661     -0.493067
  N      -6.556532      3.983120      0.432086
  C      -7.051085      5.141099      0.942690
  C      -6.270495      1.970132      6.095227
  C      -7.045269      3.144797      6.732258
  C      -8.344455      3.424136      6.004925
  O      -8.024600      3.974546      4.699229
  C      -8.988724      3.789426      3.743601
  C     -10.030600      4.688188      3.586016
  C     -10.983123      4.464857      2.573501
  N     -10.960193      3.435266      1.733214
  C      -9.927001      2.554277      1.860567
  C      -9.824851      1.464821      0.962313
  C      -8.764448      0.585048      1.083787
  C      -7.810673      0.794815      2.096380
  N      -7.860297      1.804900      2.961902
  C      -8.899000      2.679794      2.854023
  H      -3.765109     -1.368096      5.291063
  H      -4.661584     -0.310298      4.192830
  H      -2.171198     -1.940769      3.408225
  H      -3.843398     -2.431219      3.105416
  H      -2.690878     -1.400350      1.108639
  H      -2.595815      0.155721      1.998372
  H      -6.037463     -1.705617     -0.207157
  H      -6.495579     -0.912694     -2.535182
  H      -4.161590      2.994539     -3.137573
  H      -2.724911      4.422536     -1.628236
  H      -2.307508      3.644361      0.724968
  H      -3.284966      6.276649      5.861807
  H      -4.347770      5.147085      6.721593
  H      -5.666991      6.250836      5.057415
  H      -5.491853      4.573088      4.572353
  H      -3.351880      5.463260      3.239914
  H      -4.258184      7.002809      3.218485
  H      -6.356963      7.557994      3.266522
  H      -8.555254      8.324431      2.470060
  H      -9.986561      5.413123     -0.779789
  H      -9.046629      3.271854     -1.740481
  H      -6.874047      2.429913     -0.880486
  H      -6.657045      1.023222      6.529183
  H      -6.526203      1.937597      5.028308
  H      -6.423936      4.054134      6.716800
  H      -7.277019      2.938739      7.789858
  H      -8.965278      4.156128      6.549686
  H      -8.933987      2.500552      5.873792
  H     -10.095171      5.569549      4.224995
  H     -11.802888      5.177280      2.444819
  H     -10.582016      1.366064      0.183338
  H      -8.644511     -0.255121      0.399142
  H      -6.962944      0.108952      2.201693
  N      -4.834392      2.388106      3.162787
  H      -4.572506      3.025543      2.400790
  H      -5.835632      2.554988      3.351252
  H      -4.808056      1.461907      2.716061
  N      -1.789535      2.616628      3.598922
  N      -0.881204      2.767471      2.936142
104
Coordinates from ORCA-job orca E -6540.278698632509
  N      -2.792910      0.395802      4.738022
  Mo     -3.387950      2.325373      4.915449
  N      -4.835082      2.044691      6.272748
  C      -4.409358      1.911023      7.665582
  C      -3.014402      1.300162      7.709831
  N      -2.136427      1.996753      6.730306
  C      -1.017656      1.136939      6.279432
  C      -1.546770      0.005959      5.373813
  C      -1.659711      3.307435      7.263023
  C      -1.640302      4.317978      6.115579
  N      -2.917382      4.263537      5.417801
  H      -0.749292     -0.241446      4.643768
  H      -1.706854     -0.917898      5.967169
  H      -0.321667      1.781071      5.727319
  H      -0.471796      0.719124      7.146907
  H      -1.430181      5.327548      6.514662
  H      -0.813098      4.073289      5.425497
  H      -2.380996      3.639693      8.022220
  H      -0.678228      3.188791      7.756015
  H      -5.096773      1.252837      8.232350
  H      -4.422249      2.889306      8.190637
  H      -3.078866      0.248563      7.402285
  H      -2.572309      1.340502      8.722013
  C      -3.659531     -0.713241      4.391024
  C      -3.169034     -1.540012      3.188551
  C      -3.128263     -0.758053      1.892356
  O      -4.513948     -0.481926      1.503327
  C      -4.717526     -0.047737      0.222994
  C      -5.578224     -0.767366     -0.589312
  C      -5.838823     -0.314029     -1.898177
  N      -5.312369      0.780300     -2.435326
  C      -4.476357      1.514005     -1.642406
  C      -3.926111      2.720856     -2.145765
  C      -3.133338      3.497185     -1.326193
  C      -2.884445      3.062756     -0.005418
  N      -3.356157      1.931706      0.501149
  C      -4.142956      1.155808     -0.293418
  C      -3.834147      5.339930      5.744858
  C      -4.921425      5.515247      4.684325
  C      -4.332126      5.883107      3.326198
  O      -5.079600      5.321872      2.222786
  C      -6.288021      5.832609      1.927478
  C      -6.843594      6.975807      2.483282
  C      -8.100741      7.422161      2.026047
  N      -8.824981      6.837701      1.084952
  C      -8.303305      5.697608      0.541041
  C      -9.036725      5.015793     -0.459644
  C      -8.528562      3.851701     -0.990251
  C      -7.289324      3.368519     -0.515590
  N      -6.559000      3.975407      0.407483
  C      -7.047678      5.132147      0.930484
  C      -6.276696      1.985178      6.124884
  C      -7.047254      3.176487      6.738100
  C      -8.350552      3.435991      6.009693
  O      -8.030075      3.963362      4.694495
  C      -8.997595      3.775533      3.743571
  C     -10.041321      4.671197      3.583404
  C     -10.993311      4.444093      2.570171
  N     -10.968924      3.412606      1.732851
  C      -9.936651      2.530544      1.866107
  C      -9.837190      1.432703      0.975854
  C      -8.780302      0.550000      1.104543
  C      -7.824501      0.767998      2.114112
  N      -7.870331      1.785673      2.971268
  C      -8.908595      2.661997      2.858498
  H      -3.769403     -1.394171      5.262647
  H      -4.667447     -0.325411      4.176033
  H      -2.150457     -1.913077      3.385753
  H      -3.813585     -2.425678      3.061647
  H      -2.664978     -1.350924      1.087237
  H      -2.589926      0.193271      2.001836
  H      -6.041263     -1.679840     -0.209980
  H      -6.514552     -0.891745     -2.538182
  H      -4.167395      3.010489     -3.169885
  H      -2.710803      4.440806     -1.677797
  H      -2.279153      3.670584      0.674988
  H      -3.272556      6.292182      5.851330
  H      -4.340547      5.172066      6.720985
  H      -5.648213      6.262868      5.033009
  H      -5.476738      4.572124      4.578524
  H      -3.341644      5.420638      3.227498
  H      -4.229757      6.972130      3.184795
  H      -6.330278      7.540172      3.259281
  H      -8.525105      8.328886      2.469405
  H      -9.999323      5.426987     -0.765435
  H      -9.074255      3.286049     -1.746855
  H      -6.890779      2.432010     -0.914593
  H      -6.669578      1.049553      6.577362
  H      -6.534192      1.934691      5.059056
  H      -6.426171      4.084495      6.683997
  H      -7.265369      3.003843      7.804027
  H      -8.976869      4.172731      6.541466
  H      -8.933658      2.506110      5.891799
  H     -10.109335      5.552665      4.222733
  H     -11.812683      5.156453      2.436535
  H     -10.596750      1.327682      0.198857
  H      -8.663041     -0.298006      0.427638
  H      -6.976089      0.084069      2.221966
  N      -4.820402      2.360611      3.175124
  H      -4.567073      3.006372      2.421763
  H      -5.827076      2.502333      3.354498
  H      -4.759520      1.436421      2.732289
  N      -1.790584      2.611924      3.625893
  N      -0.879552      2.758250      2.963471
104
Coordinates from ORCA-job orca E -6540.279228833489
  N      -2.812684      0.386983      4.739684
  Mo     -3.401407      2.320114      4.920467
  N      -4.840965      2.047509      6.290650
  C      -4.403694      1.918581      7.680495
  C      -3.010157      1.303924      7.716155
  N      -2.138242      1.995984      6.726531
  C      -1.025573      1.131976      6.267183
  C      -1.566171     -0.003743      5.375154
  C      -1.654704      3.306806      7.253633
  C      -1.642080      4.316105      6.103678
  N      -2.923301      4.260053      5.412796
  H      -0.772980     -0.266066      4.645425
  H      -1.731515     -0.919126      5.980946
  H      -0.336261      1.772022      5.702563
  H      -0.470106      0.716900      7.130041
  H      -1.429412      5.326495      6.499220
  H      -0.818134      4.069065      5.410500
  H      -2.369825      3.641762      8.017374
  H      -0.669453      3.187242      7.738996
  H      -5.089285      1.265306      8.255037
  H      -4.407923      2.898950      8.201954
  H      -3.080426      0.251692      7.411758
  H      -2.559934      1.346457      8.724376
  C      -3.671091     -0.723930      4.378335
  C      -3.176332     -1.540166      3.169882
  C      -3.129750     -0.744376      1.882965
  O      -4.513107     -0.450168      1.502891
  C      -4.719918      0.002863      0.231285
  C      -5.612806     -0.678023     -0.577623
  C      -5.871384     -0.204285     -1.879208
  N      -5.312786      0.872194     -2.415126
  C      -4.446374      1.568907     -1.624433
  C      -3.856356      2.753106     -2.125783
  C      -3.026680      3.489324     -1.310222
  C      -2.784386      3.040753      0.007058
  N      -3.295209      1.930564      0.512809
  C      -4.114284      1.190974     -0.280448
  C      -3.834877      5.344584      5.728443
  C      -4.918789      5.515392      4.663712
  C      -4.327938      5.874583      3.303308
  O      -5.081290      5.310161      2.203227
  C      -6.286688      5.827971      1.906646
  C      -6.836085      6.976111      2.461773
  C      -8.097161      7.422749      2.013044
  N      -8.832192      6.834535      1.083034
  C      -8.315144      5.691428      0.538470
  C      -9.059752      5.006180     -0.451353
  C      -8.555637      3.840860     -0.984790
  C      -7.308029      3.358784     -0.523170
  N      -6.568494      3.967399      0.391595
  C      -7.054152      5.125800      0.916596
  C      -6.282689      1.993643      6.149174
  C      -7.048371      3.199722      6.739751
  C      -8.351482      3.446911      6.006427
  O      -8.029545      3.956530      4.683953
  C      -9.000310      3.758303      3.738282
  C     -10.049764      4.646288      3.576540
  C     -11.003355      4.407968      2.567139
  N     -10.979145      3.369981      1.738065
  C      -9.943634      2.492283      1.875646
  C      -9.851291      1.382106      1.002260
  C      -8.795576      0.500282      1.138551
  C      -7.831162      0.734956      2.136687
  N      -7.869641      1.765035      2.978571
  C      -8.910159      2.637431      2.861015
  H      -3.779228     -1.413717      5.243176
  H      -4.680558     -0.339853      4.164062
  H      -2.158233     -1.914167      3.366771
  H      -3.821069     -2.423702      3.032025
  H      -2.672993     -1.329139      1.069209
  H      -2.582476      0.199763      2.004596
  H      -6.100661     -1.577273     -0.202015
  H      -6.571924     -0.752233     -2.516219
  H      -4.094868      3.056346     -3.146578
  H      -2.568755      4.411517     -1.661116
  H      -2.150216      3.618093      0.682952
  H      -3.269792      6.295472      5.829383
  H      -4.344284      5.185115      6.704177
  H      -5.644504      6.268539      5.003295
  H      -5.473581      4.571761      4.561563
  H      -3.339375      5.407768      3.203753
  H      -4.222484      6.963054      3.159431
  H      -6.316532      7.541843      3.232579
  H      -8.518682      8.332351      2.457500
  H     -10.027434      5.416886     -0.747732
  H      -9.110250      3.274101     -1.734544
  H      -6.910450      2.422452     -0.925384
  H      -6.677805      1.069309      6.621903
  H      -6.541085      1.925687      5.085071
  H      -6.423684      4.103027      6.660891
  H      -7.263959      3.052337      7.809419
  H      -8.981328      4.188169      6.527079
  H      -8.931519      2.513554      5.899212
  H     -10.122343      5.529421      4.212615
  H     -11.827219      5.115515      2.431590
  H     -10.616189      1.265702      0.233429
  H      -8.686364     -0.359038      0.477677
  H      -6.981094      0.055164      2.246901
  N      -4.835486      2.338402      3.181287
  H      -4.594517      2.993866      2.431184
  H      -5.844062      2.463341      3.362030
  H      -4.759147      1.418089      2.733913
  N      -1.814728      2.600476      3.620045
  N      -0.910044      2.742169      2.952801
104
Coordinates from ORCA-job orca E -6540.279702695541
  N      -2.834539      0.385479      4.744115
  Mo     -3.425769      2.318680      4.943099
  N      -4.851191      2.040532      6.328907
  C      -4.399349      1.908493      7.713099
  C      -3.005769      1.296096      7.731404
  N      -2.144507      1.992692      6.734758
  C      -1.037225      1.131231      6.258647
  C      -1.586516     -0.005332      5.376466
  C      -1.656576      3.301650      7.261275
  C      -1.657452      4.316029      6.115758
  N      -2.943550      4.258777      5.434395
  H      -0.797237     -0.276964      4.645861
  H      -1.753946     -0.915784      5.990299
  H      -0.359223      1.773442      5.682935
  H      -0.467799      0.716402      7.112607
  H      -1.444601      5.325507      6.513223
  H      -0.837839      4.073342      5.416406
  H      -2.363977      3.633082      8.033500
  H      -0.666097      3.180467      7.734988
  H      -5.078891      1.253553      8.292698
  H      -4.397248      2.887118      8.237987
  H      -3.078168      0.245116      7.422823
  H      -2.545196      1.335953      8.734709
  C      -3.673088     -0.732333      4.356873
  C      -3.152660     -1.535983      3.149574
  C      -3.101207     -0.736757      1.865181
  O      -4.486571     -0.465433      1.467902
  C      -4.692542     -0.018391      0.195309
  C      -5.571810     -0.715129     -0.617565
  C      -5.827801     -0.249316     -1.922164
  N      -5.281493      0.835890     -2.457833
  C      -4.432731      1.550824     -1.661736
  C      -3.859567      2.748337     -2.160214
  C      -3.046806      3.503313     -1.340732
  C      -2.806227      3.059766     -0.020992
  N      -3.304475      1.939694      0.483696
  C      -4.103157      1.181142     -0.314792
  C      -3.848878      5.352540      5.736267
  C      -4.928170      5.518422      4.667149
  C      -4.332108      5.856354      3.304678
  O      -5.089844      5.284145      2.210183
  C      -6.287252      5.811256      1.900177
  C      -6.827367      6.969689      2.440839
  C      -8.081074      7.422231      1.981004
  N      -8.816541      6.832916      1.051676
  C      -8.305731      5.682453      0.518067
  C      -9.045482      4.998962     -0.476888
  C      -8.544793      3.829531     -1.003422
  C      -7.306974      3.339443     -0.528656
  N      -6.571915      3.945674      0.391553
  C      -7.053314      5.109092      0.908713
  C      -6.292667      1.994493      6.194145
  C      -7.049481      3.213778      6.769780
  C      -8.349026      3.461622      6.030907
  O      -8.019770      3.968036      4.707757
  C      -8.992290      3.776406      3.763976
  C     -10.045399      4.661455      3.615551
  C     -11.002365      4.428346      2.609324
  N     -10.981016      3.395858      1.773382
  C      -9.942093      2.520205      1.898045
  C      -9.857096      1.411891      1.021574
  C      -8.798023      0.531740      1.143425
  C      -7.823130      0.767999      2.131326
  N      -7.857124      1.794489      2.978743
  C      -8.901776      2.662919      2.876056
  H      -3.780939     -1.432463      5.213712
  H      -4.685842     -0.361161      4.134113
  H      -2.131277     -1.895265      3.358436
  H      -3.782752     -2.428470      3.000437
  H      -2.624408     -1.311822      1.055534
  H      -2.569872      0.215310      1.997570
  H      -6.048032     -1.622856     -0.243864
  H      -6.516157     -0.811496     -2.562070
  H      -4.097324      3.047624     -3.182279
  H      -2.600500      4.437341     -1.689002
  H      -2.183782      3.652556      0.657131
  H      -3.278151      6.300335      5.830369
  H      -4.362355      5.204402      6.711621
  H      -5.650086      6.281258      4.992575
  H      -5.486871      4.576743      4.574798
  H      -3.347885      5.380880      3.210565
  H      -4.218168      6.941232      3.150280
  H      -6.306711      7.537623      3.209398
  H      -8.496314      8.338918      2.415143
  H     -10.004753      5.416544     -0.784798
  H      -9.093582      3.267094     -1.759137
  H      -6.910828      2.401930     -0.926920
  H      -6.691877      1.079122      6.681222
  H      -6.551650      1.915954      5.131098
  H      -6.417432      4.110610      6.676278
  H      -7.266063      3.083194      7.841443
  H      -8.981045      4.204472      6.547180
  H      -8.928760      2.528268      5.922462
  H     -10.119409      5.537218      4.259946
  H     -11.829568      5.134376      2.484374
  H     -10.630121      1.293867      0.262409
  H      -8.695588     -0.327544      0.481018
  H      -6.967793      0.092311      2.227531
  N      -4.872271      2.326081      3.211418
  H      -4.656843      3.003969      2.471696
  H      -5.883174      2.419502      3.400323
  H      -4.774668      1.417101      2.745710
  N      -1.855325      2.607803      3.628285
  N      -0.954294      2.755178      2.953727
104
Coordinates from ORCA-job orca E -6540.280084576993
  N      -2.833957      0.385078      4.746915
  Mo     -3.425112      2.318650      4.953159
  N      -4.853229      2.039186      6.338120
  C      -4.403976      1.905551      7.722068
  C      -3.011026      1.291744      7.741268
  N      -2.147038      1.988903      6.747296
  C      -1.041375      1.126927      6.268225
  C      -1.591472     -0.009665      5.387770
  C      -1.657018      3.295636      7.275966
  C      -1.657151      4.313691      6.133102
  N      -2.940907      4.256836      5.448757
  H      -0.798984     -0.290617      4.663798
  H      -1.768395     -0.916054      6.005500
  H      -0.365467      1.769776      5.690377
  H      -0.469423      0.712223      7.120656
  H      -1.447312      5.322244      6.534265
  H      -0.834581      4.074030      5.435090
  H      -2.363370      3.626615      8.049735
  H      -0.666061      3.170895      7.748242
  H      -5.085248      1.250440      8.300048
  H      -4.401561      2.883462      8.248869
  H      -3.083210      0.241569      7.430174
  H      -2.552407      1.329962      8.745967
  C      -3.664809     -0.731902      4.342841
  C      -3.140285     -1.522022      3.129344
  C      -3.094692     -0.711433      1.852510
  O      -4.481760     -0.437535      1.463627
  C      -4.696301      0.017278      0.196351
  C      -5.593987     -0.664139     -0.608233
  C      -5.857872     -0.191652     -1.909255
  N      -5.303005      0.886050     -2.449179
  C      -4.436710      1.587045     -1.660392
  C      -3.854199      2.777585     -2.162677
  C      -3.022967      3.518741     -1.350947
  C      -2.774354      3.069588     -0.033926
  N      -3.282185      1.956732      0.474610
  C      -4.097509      1.210432     -0.317533
  C      -3.841438      5.359694      5.730262
  C      -4.912934      5.519283      4.652670
  C      -4.309384      5.839602      3.289771
  O      -5.071755      5.265668      2.199138
  C      -6.264112      5.800730      1.883130
  C      -6.792535      6.969374      2.410444
  C      -8.043654      7.425967      1.948727
  N      -8.786382      6.832565      1.027987
  C      -8.285266      5.674040      0.505229
  C      -9.032020      4.986116     -0.481869
  C      -8.541486      3.808738     -0.997736
  C      -7.306950      3.315217     -0.520359
  N      -6.565209      3.925313      0.392010
  C      -7.036684      5.095989      0.899090
  C      -6.294992      1.996319      6.200474
  C      -7.050501      3.224124      6.762535
  C      -8.354770      3.462563      6.027922
  O      -8.032603      3.953970      4.697052
  C      -9.015255      3.757039      3.764082
  C     -10.066820      4.644151      3.614985
  C     -11.031718      4.404411      2.616991
  N     -11.017981      3.365561      1.788682
  C      -9.980886      2.488045      1.914853
  C      -9.900843      1.374380      1.043680
  C      -8.840369      0.494543      1.164319
  C      -7.860699      0.735868      2.146844
  N      -7.891318      1.766740      2.989529
  C      -8.934831      2.635513      2.886278
  H      -3.773014     -1.441926      5.191771
  H      -4.678207     -0.362941      4.121303
  H      -2.117543     -1.878322      3.334131
  H      -3.766801     -2.415769      2.974612
  H      -2.621254     -1.277806      1.035541
  H      -2.563264      0.239162      1.991140
  H      -6.077661     -1.566480     -0.232110
  H      -6.560517     -0.742807     -2.542709
  H      -4.099581      3.083013     -3.181505
  H      -2.568174      4.447271     -1.701823
  H      -2.135180      3.651874      0.637183
  H      -3.264944      6.304244      5.819161
  H      -4.363537      5.225134      6.703278
  H      -5.633090      6.288857      4.964882
  H      -5.476342      4.579317      4.567711
  H      -3.330201      5.353935      3.200597
  H      -4.185089      6.921523      3.126909
  H      -6.265147      7.541587      3.170603
  H      -8.449437      8.349987      2.372417
  H      -9.988743      5.407029     -0.792388
  H      -9.096296      3.242742     -1.747250
  H      -6.919806      2.371302     -0.908451
  H      -6.696686      1.087940      6.698810
  H      -6.551522      1.905301      5.137591
  H      -6.418624      4.119418      6.654305
  H      -7.263035      3.108050      7.836925
  H      -8.986451      4.209577      6.538497
  H      -8.933020      2.527066      5.932291
  H     -10.133274      5.527208      4.251788
  H     -11.856065      5.112725      2.489971
  H     -10.677942      1.252051      0.287718
  H      -8.741482     -0.369202      0.504790
  H      -7.003057      0.061881      2.240855
  N      -4.859416      2.328626      3.212374
  H      -4.663344      3.033059      2.495222
  H      -5.875473      2.387984      3.394175
  H      -4.732272      1.437568      2.721006
  N      -1.849753      2.613727      3.645122
  N      -0.938416      2.763584      2.981861
104
Coordinates from ORCA-job orca E -6540.280821570584
  N      -2.844831      0.377816      4.748720
  Mo     -3.431024      2.315372      4.963679
  N      -4.858799      2.039775      6.353564
  C      -4.409306      1.909418      7.736117
  C      -3.018883      1.289597      7.753298
  N      -2.154264      1.982039      6.757162
  C      -1.053911      1.115775      6.274601
  C      -1.610612     -0.022664      5.402380
  C      -1.657965      3.287075      7.282816
  C      -1.658990      4.307682      6.141854
  N      -2.941246      4.253891      5.457334
  H      -0.815166     -0.321300      4.688505
  H      -1.801523     -0.920923      6.028659
  H      -0.380783      1.755696      5.690095
  H      -0.477087      0.703567      7.125144
  H      -1.449545      5.314922      6.546639
  H      -0.835389      4.070568      5.443130
  H      -2.359848      3.620068      8.060066
  H      -0.665511      3.157736      7.750813
  H      -5.091881      1.258032      8.317581
  H      -4.402381      2.888584      8.261519
  H      -3.094974      0.239622      7.443160
  H      -2.558145      1.327647      8.757436
  C      -3.664637     -0.738580      4.324670
  C      -3.127466     -1.514966      3.108538
  C      -3.083668     -0.692984      1.838912
  O      -4.472764     -0.424408      1.449637
  C      -4.693928      0.041276      0.189313
  C      -5.605071     -0.626195     -0.610609
  C      -5.872660     -0.147356     -1.909235
  N      -5.309488      0.924050     -2.449924
  C      -4.431803      1.613961     -1.663817
  C      -3.839152      2.798526     -2.166693
  C      -2.995868      3.527780     -1.358353
  C      -2.747237      3.075437     -0.042052
  N      -3.264387      1.969012      0.466187
  C      -4.088894      1.231645     -0.324352
  C      -3.832137      5.367746      5.721321
  C      -4.901840      5.521468      4.641053
  C      -4.298388      5.828042      3.273951
  O      -5.070505      5.254355      2.189698
  C      -6.263657      5.793433      1.879490
  C      -6.784138      6.969885      2.399078
  C      -8.040865      7.424685      1.947993
  N      -8.797342      6.821018      1.045637
  C      -8.302409      5.656880      0.528144
  C      -9.060537      4.961241     -0.445459
  C      -8.572014      3.782884     -0.962963
  C      -7.330631      3.293496     -0.496939
  N      -6.579222      3.910446      0.402800
  C      -7.047412      5.082745      0.909848
  C      -6.301087      2.005401      6.217799
  C      -7.046980      3.251145      6.753606
  C      -8.349784      3.482620      6.015356
  O      -8.020617      3.948280      4.677902
  C      -9.004441      3.751659      3.746949
  C     -10.054938      4.640608      3.594332
  C     -11.019913      4.398291      2.596470
  N     -11.009102      3.354098      1.774085
  C      -9.975606      2.473288      1.906720
  C      -9.903691      1.349212      1.047780
  C      -8.844886      0.467849      1.173787
  C      -7.861131      0.715832      2.151271
  N      -7.887294      1.753692      2.984994
  C      -8.927609      2.625090      2.875807
  H      -3.776830     -1.458396      5.165456
  H      -4.678263     -0.373443      4.098837
  H      -2.103181     -1.865168      3.314962
  H      -3.746079     -2.412529      2.945269
  H      -2.606562     -1.248678      1.016708
  H      -2.558224      0.259095      1.986560
  H      -6.094614     -1.525329     -0.234991
  H      -6.584694     -0.689929     -2.539628
  H      -4.085209      3.107546     -3.183685
  H      -2.529889      4.448616     -1.710242
  H      -2.094740      3.647531      0.624990
  H      -3.248938      6.308893      5.801606
  H      -4.358157      5.249007      6.694703
  H      -5.620067      6.296022      4.946804
  H      -5.468666      4.581943      4.564949
  H      -3.323906      5.331785      3.183736
  H      -4.165815      6.908267      3.102687
  H      -6.246790      7.549246      3.145818
  H      -8.439992      8.353984      2.366309
  H     -10.021783      5.380196     -0.748589
  H      -9.132075      3.215551     -1.708029
  H      -6.944886      2.348513     -0.885517
  H      -6.710318      1.111203      6.735141
  H      -6.558649      1.893150      5.157447
  H      -6.408773      4.139101      6.624548
  H      -7.258719      3.161052      7.830704
  H      -8.979639      4.240267      6.510868
  H      -8.930915      2.547919      5.933118
  H     -10.123429      5.524694      4.230719
  H     -11.842536      5.107999      2.466252
  H     -10.688597      1.217515      0.299981
  H      -8.753252     -0.404703      0.524087
  H      -7.006872      0.039301      2.251499
  N      -4.860380      2.319645      3.215873
  H      -4.687320      3.048952      2.519835
  H      -5.880221      2.345065      3.392260
  H      -4.704322      1.446023      2.699929
  N      -1.853768      2.613255      3.658764
  N      -0.941635      2.765121      3.000777
104
Coordinates from ORCA-job orca E -6540.281124303498
  N      -2.848097      0.380049      4.749155
  Mo     -3.446492      2.311649      4.970364
  N      -4.862311      2.030705      6.367367
  C      -4.409427      1.903736      7.747468
  C      -3.016958      1.287132      7.760537
  N      -2.157901      1.980821      6.762556
  C      -1.057935      1.117982      6.274405
  C      -1.616303     -0.022316      5.406904
  C      -1.660537      3.285424      7.285382
  C      -1.672339      4.308526      6.146557
  N      -2.955322      4.246786      5.468635
  H      -0.820713     -0.326977      4.696465
  H      -1.811242     -0.918037      6.035721
  H      -0.391188      1.759911      5.685088
  H      -0.473964      0.709718      7.121916
  H      -1.471090      5.315725      6.555133
  H      -0.848229      4.081364      5.444748
  H      -2.355675      3.616801      8.069284
  H      -0.663819      3.157011      7.743804
  H      -5.087459      1.250589      8.332030
  H      -4.404155      2.883383      8.272314
  H      -3.089123      0.236162      7.453593
  H      -2.554909      1.329218      8.763889
  C      -3.666100     -0.734887      4.320712
  C      -3.124407     -1.511423      3.108034
  C      -3.079231     -0.689601      1.838046
  O      -4.467470     -0.421141      1.448301
  C      -4.691081      0.040664      0.187069
  C      -5.615679     -0.619924     -0.602929
  C      -5.890804     -0.141909     -1.900456
  N      -5.326232      0.924976     -2.446798
  C      -4.438906      1.611376     -1.668432
  C      -3.849813      2.795307     -2.174396
  C      -3.002312      3.524241     -1.370296
  C      -2.742920      3.069700     -0.056860
  N      -3.252203      1.960319      0.451939
  C      -4.084592      1.226535     -0.332886
  C      -3.840369      5.367445      5.721368
  C      -4.901115      5.525688      4.634185
  C      -4.283695      5.844254      3.274317
  O      -5.047788      5.285352      2.177017
  C      -6.242467      5.826777      1.872460
  C      -6.755663      7.008974      2.390567
  C      -8.012693      7.467283      1.944327
  N      -8.775780      6.860311      1.048494
  C      -8.288015      5.691360      0.532169
  C      -9.052039      4.994290     -0.435948
  C      -8.569828      3.810870     -0.950785
  C      -7.330993      3.316492     -0.485285
  N      -6.574649      3.935319      0.408603
  C      -7.034256      5.113564      0.910900
  C      -6.304627      1.995191      6.235002
  C      -7.046459      3.249362      6.752274
  C      -8.343428      3.475686      6.003486
  O      -8.003691      3.911893      4.659770
  C      -8.987388      3.716896      3.727711
  C     -10.034800      4.610778      3.574983
  C     -11.004143      4.368683      2.582066
  N     -11.002095      3.319164      1.766947
  C      -9.973235      2.433169      1.900741
  C      -9.916303      1.299984      1.054856
  C      -8.863069      0.412493      1.183146
  C      -7.869466      0.663176      2.148023
  N      -7.881807      1.708436      2.970071
  C      -8.918166      2.585912      2.861954
  H      -3.784477     -1.453919      5.161614
  H      -4.678068     -0.368170      4.087881
  H      -2.101484     -1.863451      3.317566
  H      -3.744225     -2.408255      2.944938
  H      -2.602666     -1.246578      1.016072
  H      -2.553240      0.262454      1.983775
  H      -6.108442     -1.514573     -0.222305
  H      -6.610760     -0.681053     -2.524433
  H      -4.103492      3.105998     -3.188754
  H      -2.539757      4.444551     -1.723638
  H      -2.084499      3.638825      0.605638
  H      -3.250677      6.304101      5.802840
  H      -4.373048      5.257125      6.692463
  H      -5.622876      6.297222      4.941040
  H      -5.467943      4.586226      4.548048
  H      -3.310582      5.343677      3.187072
  H      -4.144311      6.927318      3.114381
  H      -6.211431      7.591246      3.131715
  H      -8.406999      8.400344      2.362792
  H     -10.011849      5.416277     -0.738448
  H      -9.132896      3.244405     -1.693352
  H      -6.951265      2.365039     -0.868323
  H      -6.713598      1.109522      6.765700
  H      -6.564120      1.867242      5.177491
  H      -6.404074      4.133317      6.619576
  H      -7.266901      3.171669      7.828535
  H      -8.969483      4.246893      6.481244
  H      -8.931106      2.543934      5.936322
  H     -10.100454      5.495258      4.210025
  H     -11.824776      5.081059      2.452350
  H     -10.710128      1.163624      0.318739
  H      -8.785196     -0.467708      0.544543
  H      -7.020127     -0.019112      2.249962
  N      -4.873103      2.336145      3.218996
  H      -4.720858      3.098171      2.549596
  H      -5.893561      2.336890      3.396010
  H      -4.703643      1.485466      2.664639
  N      -1.869721      2.623645      3.660327
  N      -0.965166      2.787651      2.997108
104
Coordinates from ORCA-job orca E -6540.281420743256
  N      -2.853540      0.378600      4.751060
  Mo     -3.451282      2.309478      4.978216
  N      -4.866320      2.030122      6.374744
  C      -4.414570      1.903199      7.755629
  C      -3.023993      1.283004      7.769717
  N      -2.162546      1.973761      6.771384
  C      -1.065760      1.106602      6.281922
  C      -1.629198     -0.031632      5.417073
  C      -1.660051      3.276449      7.294032
  C      -1.670304      4.301345      6.157324
  N      -2.953994      4.242484      5.478783
  H      -0.832306     -0.346752      4.712702
  H      -1.835599     -0.923323      6.048090
  H      -0.398151      1.745601      5.690606
  H      -0.481062      0.697614      7.128639
  H      -1.468952      5.306914      6.569729
  H      -0.844658      4.076938      5.456408
  H      -2.352109      3.609201      8.080085
  H      -0.662651      3.144348      7.750300
  H      -5.094224      1.252712      8.341207
  H      -4.406051      2.883050      8.279882
  H      -3.099466      0.231894      7.463986
  H      -2.562328      1.324033      8.773218
  C      -3.674185     -0.729316      4.309561
  C      -3.128031     -1.498600      3.094477
  C      -3.076258     -0.668277      1.830924
  O      -4.462626     -0.392424      1.441225
  C      -4.685437      0.066461      0.178458
  C      -5.621829     -0.587360     -0.604899
  C      -5.905978     -0.103929     -1.898144
  N      -5.343181      0.965324     -2.445248
  C      -4.447567      1.647281     -1.671396
  C      -3.868611      2.839820     -2.172721
  C      -3.020947      3.570330     -1.367859
  C      -2.746149      3.103772     -0.061565
  N      -3.242506      1.982948      0.441421
  C      -4.080044      1.252426     -0.341760
  C      -3.830396      5.374484      5.716893
  C      -4.886648      5.534130      4.625557
  C      -4.259811      5.827259      3.267369
  O      -5.025597      5.265550      2.173800
  C      -6.217324      5.808228      1.863446
  C      -6.723488      6.997877      2.367109
  C      -7.980301      7.454296      1.918531
  N      -8.748131      6.838919      1.032542
  C      -8.266373      5.662701      0.529846
  C      -9.037805      4.954096     -0.423470
  C      -8.565798      3.759636     -0.917779
  C      -7.326304      3.268250     -0.450238
  N      -6.563223      3.897741      0.430427
  C      -7.014561      5.085422      0.913874
  C      -6.308980      2.002052      6.237990
  C      -7.043974      3.264785      6.743290
  C      -8.338689      3.492976      5.991098
  O      -7.996900      3.904805      4.639713
  C      -8.985516      3.705707      3.714396
  C     -10.031854      4.599974      3.562625
  C     -11.010591      4.351578      2.579620
  N     -11.017172      3.296797      1.772698
  C      -9.986370      2.411826      1.902888
  C      -9.935656      1.274347      1.062710
  C      -8.881418      0.388122      1.186626
  C      -7.880062      0.643339      2.143343
  N      -7.885781      1.691991      2.959736
  C      -8.923235      2.569798      2.854832
  H      -3.803351     -1.452771      5.144805
  H      -4.682777     -0.355731      4.070792
  H      -2.106741     -1.854458      3.306170
  H      -3.748715     -2.393211      2.922444
  H      -2.601140     -1.221923      1.006190
  H      -2.546599      0.280196      1.982588
  H      -6.115763     -1.481188     -0.222697
  H      -6.633617     -0.638410     -2.517305
  H      -4.133622      3.159141     -3.182445
  H      -2.569847      4.501095     -1.716371
  H      -2.087611      3.673637      0.600683
  H      -3.231079      6.305640      5.789634
  H      -4.366272      5.281254      6.688037
  H      -5.600287      6.316937      4.920419
  H      -5.465043      4.601697      4.549468
  H      -3.293861      5.313346      3.192139
  H      -4.103895      6.904064      3.095316
  H      -6.174605      7.587535      3.099416
  H      -8.369389      8.393788      2.326113
  H      -9.997791      5.373991     -0.728188
  H      -9.137834      3.181463     -1.645617
  H      -6.955654      2.307955     -0.816078
  H      -6.725204      1.123074      6.774372
  H      -6.565934      1.866449      5.179522
  H      -6.396680      4.144387      6.606103
  H      -7.266718      3.196664      7.819929
  H      -8.957243      4.277281      6.458283
  H      -8.935356      2.565687      5.938484
  H     -10.088908      5.490648      4.189373
  H     -11.830659      5.065032      2.450743
  H     -10.733820      1.134902      0.332587
  H      -8.807648     -0.494192      0.550585
  H      -7.028060     -0.037627      2.239975
  N      -4.878299      2.345978      3.226034
  H      -4.752637      3.137306      2.584999
  H      -5.897657      2.306840      3.401309
  H      -4.681630      1.524426      2.639420
  N      -1.873646      2.626002      3.666971
  N      -0.965956      2.793182      3.006642
104
Coordinates from ORCA-job orca E -6540.281639302835
  N      -2.858575      0.380001      4.748429
  Mo     -3.456222      2.310197      4.984346
  N      -4.867945      2.028963      6.383107
  C      -4.412065      1.902685      7.763528
  C      -3.022405      1.281463      7.774477
  N      -2.163353      1.971195      6.772445
  C      -1.069552      1.101546      6.278224
  C      -1.639472     -0.036177      5.419128
  C      -1.656209      3.272942      7.294799
  C      -1.670149      4.300728      6.161544
  N      -2.957650      4.243672      5.486675
  H      -0.843215     -0.362497      4.718875
  H      -1.854986     -0.922578      6.054918
  H      -0.404120      1.738332      5.682058
  H      -0.480597      0.692476      7.121912
  H      -1.467929      5.304369      6.578185
  H      -0.845404      4.081190      5.458442
  H      -2.343652      3.604592      8.085070
  H      -0.656732      3.139306      7.746262
  H      -5.090870      1.254346      8.352031
  H      -4.399483      2.882812      8.286690
  H      -3.101741      0.230221      7.469549
  H      -2.557057      1.321318      8.776054
  C      -3.682319     -0.723433      4.299848
  C      -3.132213     -1.489975      3.084397
  C      -3.082492     -0.656877      1.822988
  O      -4.470013     -0.391969      1.426905
  C      -4.686482      0.060636      0.160847
  C      -5.604069     -0.610286     -0.634043
  C      -5.872382     -0.136836     -1.932547
  N      -5.311350      0.937364     -2.475622
  C      -4.435703      1.634754     -1.690608
  C      -3.857523      2.828868     -2.187035
  C      -3.028558      3.572297     -1.370912
  C      -2.771097      3.116343     -0.059941
  N      -3.266952      1.993566      0.439626
  C      -4.086385      1.251295     -0.353913
  C      -3.829139      5.380263      5.724656
  C      -4.885895      5.543036      4.634111
  C      -4.255272      5.833774      3.277766
  O      -5.016674      5.272916      2.179312
  C      -6.206853      5.815451      1.864559
  C      -6.709898      7.007422      2.364004
  C      -7.964552      7.465193      1.912004
  N      -8.731943      6.850372      1.025457
  C      -8.252740      5.672083      0.525957
  C      -9.024074      4.963778     -0.426651
  C      -8.556595      3.765637     -0.914853
  C      -7.319940      3.271280     -0.444316
  N      -6.555737      3.901097      0.435097
  C      -7.003771      5.091917      0.913871
  C      -6.310750      2.008686      6.248836
  C      -7.037725      3.279032      6.747163
  C      -8.333121      3.509269      5.995720
  O      -7.992365      3.891240      4.634215
  C      -8.989542      3.689824      3.719381
  C     -10.034557      4.584195      3.571901
  C     -11.021198      4.333513      2.597572
  N     -11.035460      3.277599      1.793676
  C     -10.004042      2.392990      1.917611
  C      -9.956373      1.256979      1.073666
  C      -8.901506      0.371719      1.188288
  C      -7.896441      0.625641      2.142819
  N      -7.898778      1.672473      2.962271
  C      -8.935650      2.551494      2.862853
  H      -3.818715     -1.448574      5.132105
  H      -4.688183     -0.345382      4.056185
  H      -2.109183     -1.840933      3.297670
  H      -3.747584     -2.388127      2.908080
  H      -2.599540     -1.205566      0.999426
  H      -2.560670      0.296214      1.978377
  H      -6.093109     -1.509559     -0.256246
  H      -6.584158     -0.683778     -2.560365
  H      -4.107030      3.138492     -3.202288
  H      -2.579160      4.505165     -1.716097
  H      -2.130097      3.698510      0.611684
  H      -3.226075      6.309656      5.793137
  H      -4.362505      5.293256      6.697501
  H      -5.597881      6.327722      4.928728
  H      -5.464816      4.611861      4.557897
  H      -3.290819      5.316371      3.208558
  H      -4.093775      6.909792      3.106491
  H      -6.160076      7.598469      3.094551
  H      -8.349935      8.407837      2.314539
  H      -9.981412      5.385657     -0.733749
  H      -9.130423      3.186076     -1.639029
  H      -6.953800      2.308502     -0.806099
  H      -6.731349      1.135224      6.791279
  H      -6.569701      1.867868      5.191479
  H      -6.386186      4.154413      6.601857
  H      -7.257188      3.220685      7.825211
  H      -8.941210      4.308887      6.452214
  H      -8.940415      2.587804      5.962112
  H     -10.082042      5.479577      4.192072
  H     -11.839454      5.048847      2.471072
  H     -10.755974      1.119627      0.344602
  H      -8.828559     -0.508503      0.547440
  H      -7.043249     -0.054439      2.231810
  N      -4.887612      2.349215      3.233252
  H      -4.794686      3.168845      2.620758
  H      -5.903662      2.260712      3.407098
  H      -4.656363      1.560813      2.617798
  N      -1.884257      2.635172      3.667293
  N      -0.977601      2.808744      3.005435
104
Coordinates from ORCA-job orca E -6540.281867822624
  N      -2.872395      0.376705      4.745616
  Mo     -3.463293      2.308761      4.987757
  N      -4.873980      2.033403      6.388769
  C      -4.416685      1.909841      7.768701
  C      -3.030396      1.280823      7.778680
  N      -2.170390      1.963436      6.772607
  C      -1.082810      1.086403      6.277114
  C      -1.662529     -0.050285      5.424874
  C      -1.653790      3.262410      7.292722
  C      -1.666338      4.291765      6.161273
  N      -2.955686      4.241443      5.489141
  H      -0.866890     -0.393127      4.731690
  H      -1.892666     -0.928867      6.066805
  H      -0.416644      1.717560      5.675686
  H      -0.492432      0.676921      7.119510
  H      -1.459696      5.293394      6.580582
  H      -0.843528      4.072446      5.455744
  H      -2.335652      3.597206      8.086521
  H      -0.653173      3.123327      7.739781
  H      -5.098056      1.267575      8.360878
  H      -4.397244      2.891821      8.288217
  H      -3.117238      0.229271      7.476890
  H      -2.561969      1.320137      8.778758
  C      -3.701174     -0.719083      4.288574
  C      -3.147571     -1.484838      3.073500
  C      -3.090997     -0.646869      1.814797
  O      -4.476915     -0.373724      1.418830
  C      -4.693722      0.084661      0.154740
  C      -5.616022     -0.579225     -0.640757
  C      -5.887804     -0.096409     -1.934989
  N      -5.326265      0.980291     -2.473692
  C      -4.446349      1.670465     -1.687889
  C      -3.868877      2.867505     -2.178329
  C      -3.034341      3.601828     -1.360554
  C      -2.772342      3.136257     -0.053909
  N      -3.269134      2.011762      0.440890
  C      -4.092754      1.276851     -0.354861
  C      -3.815099      5.387669      5.721847
  C      -4.871133      5.555161      4.630429
  C      -4.236677      5.841368      3.273466
  O      -4.996108      5.279335      2.174045
  C      -6.188498      5.817981      1.858369
  C      -6.691240      7.014467      2.347317
  C      -7.947941      7.466952      1.894387
  N      -8.718072      6.841752      1.018219
  C      -8.239552      5.658446      0.529525
  C      -9.013306      4.939101     -0.412913
  C      -8.544504      3.736784     -0.891575
  C      -7.306017      3.248139     -0.419798
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  C      -6.316958      2.023206      6.258183
  C      -7.033572      3.304879      6.742886
  C      -8.328401      3.533241      5.990229
  O      -7.982915      3.872445      4.618967
  C      -8.983469      3.664978      3.710107
  C     -10.034159      4.553820      3.562809
  C     -11.022429      4.295124      2.591821
  N     -11.033921      3.235319      1.792465
  C      -9.998633      2.354319      1.918123
  C      -9.950260      1.212359      1.080377
  C      -8.893130      0.329816      1.197538
  C      -7.886796      0.591693      2.150123
  N      -7.889995      1.643536      2.963651
  C      -8.928707      2.521400      2.860032
  H      -3.849494     -1.445708      5.117580
  H      -4.701818     -0.332520      4.038130
  H      -2.126319     -1.838528      3.290326
  H      -3.763415     -2.381127      2.890652
  H      -2.609207     -1.194036      0.989425
  H      -2.565332      0.303114      1.975145
  H      -6.106828     -1.478813     -0.266239
  H      -6.603794     -0.636711     -2.563129
  H      -4.121598      3.184854     -3.190882
  H      -2.583880      4.535086     -1.702452
  H      -2.125249      3.710035      0.617255
  H      -3.203615      6.312277      5.783586
  H      -4.347442      5.312134      6.696144
  H      -5.579160      6.343795      4.924533
  H      -5.453951      4.625736      4.555058
  H      -3.273621      5.319401      3.208586
  H      -4.070650      6.916825      3.099317
  H      -6.139167      7.613787      3.068564
  H      -8.332603      8.413715      2.287628
  H      -9.971933      5.356978     -0.721551
  H      -9.118853      3.149979     -1.608612
  H      -6.939477      2.282172     -0.774033
  H      -6.743918      1.158925      6.810183
  H      -6.578771      1.873131      5.203335
  H      -6.376702      4.173801      6.584181
  H      -7.250490      3.262899      7.822116
  H      -8.924655      4.352309      6.426754
  H      -8.947501      2.619281      5.981286
  H     -10.084414      5.451393      4.179746
  H     -11.845086      5.006225      2.465322
  H     -10.752364      1.067785      0.354701
  H      -8.819742     -0.555241      0.562500
  H      -7.034340     -0.088087      2.243984
  N      -4.893973      2.351276      3.234731
  H      -4.827789      3.193848      2.650745
  H      -5.906777      2.223992      3.405100
  H      -4.633477      1.592354      2.592743
  N      -1.892969      2.635299      3.667892
  N      -0.989204      2.811442      3.004216
104
Coordinates from ORCA-job orca E -6540.282052301480
  N      -2.885905      0.379312      4.738851
  Mo     -3.463799      2.314851      4.986451
  N      -4.880328      2.048654      6.383610
  C      -4.426612      1.926090      7.764756
  C      -3.045660      1.284473      7.778677
  N      -2.178555      1.957445      6.771661
  C      -1.098297      1.069566      6.279021
  C      -1.688652     -0.063351      5.429463
  C      -1.649995      3.251755      7.292202
  C      -1.654182      4.283161      6.162478
  N      -2.944360      4.245456      5.490692
  H      -0.892901     -0.423834      4.744969
  H      -1.937695     -0.933995      6.075443
  H      -0.426514      1.693439      5.675840
  H      -0.511962      0.656851      7.122620
  H      -1.439575      5.282089      6.584469
  H      -0.833264      4.060163      5.455256
  H      -2.328220      3.591347      8.087483
  H      -0.650173      3.103504      7.738487
  H      -5.115288      1.292146      8.357803
  H      -4.399312      2.910137      8.280407
  H      -3.142175      0.233139      7.479018
  H      -2.577365      1.321266      8.779114
  C      -3.726307     -0.705070      4.274805
  C      -3.170378     -1.482189      3.066885
  C      -3.098645     -0.651051      1.803144
  O      -4.479888     -0.369384      1.396476
  C      -4.685486      0.090191      0.130604
  C      -5.604823     -0.567370     -0.672197
  C      -5.869885     -0.076822     -1.965310
  N      -5.303969      1.000399     -2.497057
  C      -4.424688      1.682327     -1.705424
  C      -3.842130      2.879434     -2.188329
  C      -3.004875      3.602403     -1.365357
  C      -2.746695      3.128179     -0.060657
  N      -3.251617      2.005811      0.429066
  C      -4.077079      1.280524     -0.372398
  C      -3.790021      5.401269      5.723137
  C      -4.850780      5.575623      4.636420
  C      -4.221102      5.855760      3.275506
  O      -4.987223      5.291819      2.182268
  C      -6.184827      5.827166      1.876342
  C      -6.686174      7.024830      2.364560
  C      -7.948309      7.473557      1.920075
  N      -8.725663      6.842126      1.055318
  C      -8.249489      5.656173      0.569795
  C      -9.031499      4.928689     -0.359829
  C      -8.563052      3.724583     -0.836590
  C      -7.317797      3.241642     -0.373997
  N      -6.544167      3.889711      0.483365
  C      -6.991899      5.086498      0.949012
  C      -6.323445      2.051926      6.252639
  C      -7.027706      3.345772      6.722811
  C      -8.322323      3.574105      5.969877
  O      -7.975786      3.857328      4.586444
  C      -8.982891      3.639288      3.687640
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  N     -11.047964      3.178677      1.791093
  C     -10.004594      2.306532      1.915394
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  C      -8.895435      0.280648      1.208191
  C      -7.881443      0.557283      2.148945
  N      -7.882933      1.616974      2.950556
  C      -8.927232      2.489184      2.845809
  H      -3.894704     -1.427266      5.104026
  H      -4.717432     -0.303915      4.012419
  H      -2.153448     -1.842439      3.292921
  H      -3.790494     -2.374847      2.882742
  H      -2.613825     -1.205109      0.983497
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  H      -6.101543     -1.464964     -0.302800
  H      -6.585519     -0.610468     -2.598794
  H      -4.092289      3.204642     -3.199963
  H      -2.549790      4.534523     -1.702495
  H      -2.096030      3.692209      0.613204
  H      -3.169260      6.320377      5.776682
  H      -4.317037      5.336328      6.701026
  H      -5.551437      6.369726      4.933421
  H      -5.440285      4.649183      4.564825
  H      -3.259750      5.329523      3.208322
  H      -4.053566      6.930227      3.096309
  H      -6.128711      7.628382      3.077747
  H      -8.332018      8.421884      2.312011
  H      -9.995033      5.342793     -0.661808
  H      -9.142823      3.132033     -1.545120
  H      -6.950814      2.274625     -0.726846
  H      -6.759861      1.197511      6.812420
  H      -6.586101      1.895195      5.199559
  H      -6.363629      4.206341      6.550351
  H      -7.242085      3.320970      7.802907
  H      -8.899160      4.418855      6.380690
  H      -8.959684      2.673393      5.994693
  H     -10.099650      5.417097      4.159050
  H     -11.870637      4.945868      2.461475
  H     -10.767776      0.999878      0.375779
  H      -8.823261     -0.610827      0.584570
  H      -7.025865     -0.118596      2.244509
  N      -4.889858      2.365774      3.229588
  H      -4.840956      3.226012      2.671119
  H      -5.900031      2.209373      3.395029
  H      -4.604126      1.633217      2.565752
  N      -1.890064      2.638170      3.669035
  N      -0.985301      2.813397      3.008279
104
Coordinates from ORCA-job orca E -6540.282236485057
  N      -2.894018      0.377911      4.731773
  Mo     -3.468736      2.313876      4.983090
  N      -4.884532      2.051758      6.381553
  C      -4.427810      1.931667      7.762059
  C      -3.049306      1.285914      7.774476
  N      -2.182824      1.954546      6.763880
  C      -1.105957      1.062034      6.271879
  C      -1.703269     -0.072194      5.428915
  C      -1.649518      3.248348      7.282826
  C      -1.654699      4.279729      6.153573
  N      -2.947065      4.247676      5.484722
  H      -0.908666     -0.446009      4.750298
  H      -1.962495     -0.935418      6.081432
  H      -0.434888      1.682050      5.663697
  H      -0.518261      0.650782      7.115334
  H      -1.435234      5.278024      6.575288
  H      -0.837265      4.054645      5.442931
  H      -2.324821      3.589320      8.080249
  H      -0.648862      3.097647      7.726484
  H      -5.118009      1.302521      8.358135
  H      -4.395750      2.917720      8.273802
  H      -3.150133      0.234221      7.476788
  H      -2.577665      1.323077      8.773210
  C      -3.742924     -0.701275      4.268782
  C      -3.184599     -1.491494      3.069843
  C      -3.106702     -0.671063      1.799278
  O      -4.485893     -0.391207      1.385140
  C      -4.683895      0.076509      0.121289
  C      -5.587485     -0.581917     -0.696800
  C      -5.846238     -0.079015     -1.987225
  N      -5.286379      1.008337     -2.503504
  C      -4.418943      1.687998     -1.698888
  C      -3.838257      2.891819     -2.167967
  C      -3.007725      3.608068     -1.334071
  C      -2.756468      3.123343     -0.031093
  N      -3.262945      1.996660      0.447606
  C      -4.079362      1.275498     -0.366120
  C      -3.784175      5.409013      5.716792
  C      -4.848278      5.585294      4.633519
  C      -4.221194      5.863618      3.270848
  O      -4.986626      5.294103      2.179989
  C      -6.189536      5.822182      1.879442
  C      -6.699597      7.012988      2.378769
  C      -7.963876      7.457923      1.936199
  N      -8.735483      6.828229      1.064239
  C      -8.251234      5.647510      0.569677
  C      -9.027601      4.920993     -0.365627
  C      -8.550215      3.722916     -0.851528
  C      -7.300665      3.245521     -0.394115
  N      -6.533015      3.892589      0.469216
  C      -6.990611      5.082554      0.945724
  C      -6.327822      2.070021      6.258526
  C      -7.013623      3.373961      6.728183
  C      -8.308249      3.616869      5.979570
  O      -7.963211      3.847970      4.585518
  C      -8.977230      3.628196      3.696539
  C     -10.052496      4.493141      3.571962
  C     -11.049659      4.217372      2.615754
  N     -11.050985      3.159710      1.812205
  C      -9.997898      2.298170      1.921932
  C      -9.948460      1.153849      1.089241
  C      -8.878883      0.285612      1.194675
  C      -7.861644      0.564080      2.131329
  N      -7.865294      1.619423      2.938413
  C      -8.916001      2.484766      2.845205
  H      -3.924128     -1.416744      5.101277
  H      -4.727690     -0.291376      3.996938
  H      -2.169150     -1.851424      3.302954
  H      -3.805000     -2.384805      2.889549
  H      -2.617349     -1.230524      0.986187
  H      -2.577920      0.278082      1.957582
  H      -6.079837     -1.486750     -0.339928
  H      -6.551071     -0.611942     -2.632989
  H      -4.083081      3.225771     -3.178475
  H      -2.553150      4.543464     -1.662205
  H      -2.110125      3.681677      0.650706
  H      -3.158095      6.324770      5.761676
  H      -4.306419      5.353252      6.697930
  H      -5.545804      6.380860      4.932186
  H      -5.438908      4.659552      4.563383
  H      -3.258432      5.340071      3.204716
  H      -4.058564      6.937761      3.088023
  H      -6.147309      7.614307      3.099140
  H      -8.354623      8.401569      2.336104
  H      -9.993796      5.331542     -0.664358
  H      -9.125645      3.130839     -1.563723
  H      -6.926261      2.283167     -0.754334
  H      -6.771516      1.221886      6.821943
  H      -6.597211      1.916389      5.207580
  H      -6.338685      4.224227      6.548715
  H      -7.223386      3.356742      7.809294
  H      -8.856141      4.489733      6.370305
  H      -8.971270      2.736444      6.035381
  H     -10.114363      5.386836      4.194138
  H     -11.890580      4.909940      2.507217
  H     -10.762258      0.995158      0.379798
  H      -8.803686     -0.602249      0.566859
  H      -7.002628     -0.107956      2.219468
  N      -4.899891      2.360256      3.227870
  H      -4.878651      3.237161      2.694380
  H      -5.903675      2.165514      3.391727
  H      -4.585682      1.659131      2.543480
  N      -1.900492      2.638941      3.660142
  N      -1.002340      2.818921      2.992026
104
Coordinates from ORCA-job orca E -6540.282437811602
  N      -2.904564      0.381072      4.726207
  Mo     -3.468775      2.319233      4.983860
  N      -4.886500      2.064029      6.381671
  C      -4.429619      1.942563      7.762197
  C      -3.055707      1.287840      7.774417
  N      -2.184608      1.950305      6.763192
  C      -1.114939      1.049661      6.269889
  C      -1.722396     -0.081025      5.429953
  C      -1.641391      3.239999      7.282471
  C      -1.642544      4.273299      6.154995
  N      -2.936248      4.251515      5.488092
  H      -0.929999     -0.468856      4.757099
  H      -1.995173     -0.937295      6.086334
  H      -0.442058      1.664469      5.658729
  H      -0.527985      0.635560      7.112479
  H      -1.415846      5.269457      6.577969
  H      -0.827813      4.043831      5.442746
  H      -2.312336      3.584245      8.081896
  H      -0.640848      3.081260      7.723300
  H      -5.123901      1.318597      8.358961
  H      -4.390959      2.928977      8.272931
  H      -3.163159      0.236793      7.477134
  H      -2.583568      1.322540      8.772878
  C      -3.763110     -0.690400      4.262001
  C      -3.207578     -1.493691      3.071691
  C      -3.120863     -0.684679      1.795292
  O      -4.496804     -0.403484      1.373300
  C      -4.686168      0.067435      0.110082
  C      -5.577578     -0.593684     -0.718932
  C      -5.824578     -0.090640     -2.011701
  N      -5.264537      0.999474     -2.519920
  C      -4.408965      1.682469     -1.704894
  C      -3.825788      2.887350     -2.167089
  C      -3.007958      3.607963     -1.323118
  C      -2.771469      3.125916     -0.016849
  N      -3.279588      1.996814      0.455029
  C      -4.082504      1.270914     -0.368869
  C      -3.760727      5.422310      5.716923
  C      -4.828351      5.603361      4.638359
  C      -4.208428      5.881997      3.272337
  O      -4.977568      5.309288      2.184915
  C      -6.183587      5.832858      1.889134
  C      -6.694667      7.021933      2.389176
  C      -7.964156      7.460303      1.954586
  N      -8.739035      6.826682      1.088716
  C      -8.252934      5.647707      0.592881
  C      -9.032522      4.916939     -0.336337
  C      -8.553692      3.720928     -0.823852
  C      -7.298086      3.250362     -0.375309
  N      -6.527451      3.901361      0.482477
  C      -6.987029      5.089188      0.960826
  C      -6.329784      2.093241      6.258695
  C      -7.005192      3.406601      6.717277
  C      -8.301768      3.651308      5.971621
  O      -7.964677      3.828802      4.566966
  C      -8.987340      3.599708      3.691237
  C     -10.076365      4.449498      3.582236
  C     -11.078654      4.164403      2.634943
  N     -11.072182      3.112587      1.823544
  C     -10.005575      2.265948      1.917644
  C      -9.946029      1.128480      1.074193
  C      -8.863179      0.274316      1.163480
  C      -7.843777      0.558972      2.095779
  N      -7.855789      1.608917      2.911031
  C      -8.918193      2.461566      2.832645
  H      -3.957607     -1.399673      5.096910
  H      -4.741261     -0.270118      3.982268
  H      -2.195387     -1.858308      3.310465
  H      -3.833561     -2.384311      2.897408
  H      -2.630494     -1.252396      0.989121
  H      -2.588726      0.263285      1.948685
  H      -6.067899     -1.502657     -0.369356
  H      -6.518066     -0.627505     -2.667240
  H      -4.059598      3.219745     -3.179632
  H      -2.552364      4.544513     -1.645852
  H      -2.134378      3.687606      0.673231
  H      -3.125568      6.332297      5.754299
  H      -4.279116      5.377472      6.700933
  H      -5.522270      6.400792      4.941160
  H      -5.421493      4.679613      4.569459
  H      -3.245075      5.360869      3.201677
  H      -4.050315      6.956892      3.088053
  H      -6.140094      7.626365      3.104803
  H      -8.355940      8.402624      2.354828
  H     -10.002657      5.322898     -0.629096
  H      -9.131789      3.125382     -1.531596
  H      -6.921784      2.289563     -0.736633
  H      -6.779707      1.253462      6.829234
  H      -6.599700      1.934814      5.208198
  H      -6.323785      4.248980      6.527373
  H      -7.212465      3.402053      7.799043
  H      -8.827459      4.547931      6.338977
  H      -8.982945      2.787499      6.061938
  H     -10.144672      5.340006      4.207996
  H     -11.929568      4.846054      2.538207
  H     -10.763133      0.963590      0.369756
  H      -8.779102     -0.608280      0.526480
  H      -6.974640     -0.102339      2.171559
  N      -4.899562      2.373950      3.227615
  H      -4.903060      3.268382      2.721446
  H      -5.897568      2.147627      3.384113
  H      -4.562883      1.706468      2.521585
  N      -1.901135      2.642536      3.659551
  N      -1.003982      2.823797      2.989016
104
Coordinates from ORCA-job orca E -6540.282662747338
  N      -2.909653      0.389608      4.714920
  Mo     -3.460964      2.330208      4.981843
  N      -4.885554      2.080108      6.374880
  C      -4.431415      1.952387      7.756009
  C      -3.062804      1.287802      7.769580
  N      -2.183056      1.947066      6.763077
  C      -1.119883      1.039908      6.267494
  C      -1.735237     -0.084433      5.424660
  C      -1.631588      3.231134      7.287789
  C      -1.625949      4.269315      6.164460
  N      -2.918816      4.259397      5.496268
  H      -0.944114     -0.482107      4.756738
  H      -2.020649     -0.936349      6.081319
  H      -0.444079      1.651777      5.656862
  H      -0.535777      0.619948      7.109109
  H      -1.392103      5.262390      6.590526
  H      -0.812593      4.034473      5.452601
  H      -2.300720      3.576457      8.087878
  H      -0.632452      3.062779      7.727806
  H      -5.131443      1.331796      8.349686
  H      -4.386950      2.937065      8.269635
  H      -3.175458      0.238498      7.468892
  H      -2.593983      1.317432      8.769742
  C      -3.778191     -0.676168      4.254379
  C      -3.228318     -1.501094      3.078108
  C      -3.136267     -0.716236      1.788198
  O      -4.509467     -0.444669      1.352585
  C      -4.688106      0.036041      0.092860
  C      -5.566949     -0.621934     -0.751493
  C      -5.801571     -0.111634     -2.044248
  N      -5.240030      0.983159     -2.537677
  C      -4.395115      1.663945     -1.708059
  C      -3.805321      2.870564     -2.157648
  C      -2.999404      3.590445     -1.300346
  C      -2.782077      3.105263      0.007958
  N      -3.295780      1.973130      0.466886
  C      -4.084538      1.246901     -0.370963
  C      -3.733000      5.437847      5.721640
  C      -4.809837      5.616914      4.653274
  C      -4.209795      5.900403      3.279284
  O      -4.987798      5.320814      2.200512
  C      -6.200047      5.834064      1.913369
  C      -6.721987      7.013034      2.423959
  C      -7.999955      7.437222      2.001625
  N      -8.772239      6.800914      1.135247
  C      -8.272748      5.633846      0.625109
  C      -9.045635      4.904032     -0.310512
  C      -8.551693      3.723134     -0.817563
  C      -7.286833      3.266260     -0.382794
  N      -6.522255      3.916460      0.481272
  C      -6.997117      5.090013      0.979463
  C      -6.328819      2.123790      6.249286
  C      -6.988347      3.449915      6.696550
  C      -8.286169      3.706163      5.955919
  O      -7.961729      3.819226      4.541313
  C      -8.994474      3.584451      3.681939
  C     -10.098672      4.415918      3.595342
  C     -11.107766      4.121397      2.659216
  N     -11.095605      3.078381      1.837129
  C     -10.015262      2.249463      1.910901
  C      -9.949942      1.120218      1.058381
  C      -8.856053      0.280578      1.131373
  C      -7.832024      0.570709      2.056097
  N      -7.847945      1.615157      2.877074
  C      -8.919296      2.454202      2.814181
  H      -3.984627     -1.374821      5.095621
  H      -4.750400     -0.247266      3.966288
  H      -2.218758     -1.868587      3.323103
  H      -3.861522     -2.390209      2.921179
  H      -2.642251     -1.298664      0.995069
  H      -2.603777      0.234004      1.927766
  H      -6.055225     -1.537273     -0.414673
  H      -6.484051     -0.647807     -2.712448
  H      -4.025791      3.206320     -3.170905
  H      -2.539255      4.528657     -1.612529
  H      -2.154358      3.666374      0.709484
  H      -3.091712      6.343792      5.748443
  H      -4.244502      5.403626      6.710157
  H      -5.503681      6.411903      4.963962
  H      -5.400301      4.691958      4.588556
  H      -3.242946      5.389059      3.193815
  H      -4.065909      6.977086      3.093499
  H      -6.171062      7.618939      3.140609
  H      -8.400792      8.370627      2.410703
  H     -10.021954      5.300160     -0.593824
  H      -9.123469      3.129985     -1.531947
  H      -6.896170      2.317506     -0.760487
  H      -6.787859      1.293955      6.826777
  H      -6.597501      1.961737      5.197971
  H      -6.294810      4.279660      6.497137
  H      -7.194191      3.458124      7.778744
  H      -8.778476      4.632214      6.296859
  H      -8.992645      2.868099      6.085384
  H     -10.174861      5.300651      4.228246
  H     -11.969990      4.789968      2.579292
  H     -10.772991      0.949228      0.362287
  H      -8.767780     -0.596322      0.487380
  H      -6.953754     -0.078335      2.118650
  N      -4.882453      2.400090      3.220405
  H      -4.905348      3.309798      2.742962
  H      -5.876461      2.150149      3.361556
  H      -4.523457      1.767843      2.495197
  N      -1.889968      2.652865      3.662912
  N      -0.991497      2.836881      2.993424
104
Coordinates from ORCA-job orca E -6540.282873241483
  N      -2.911310      0.392625      4.711473
  Mo     -3.454898      2.334932      4.977420
  N      -4.886566      2.091592      6.365816
  C      -4.437012      1.963532      7.748476
  C      -3.071086      1.293220      7.768024
  N      -2.184197      1.948268      6.765138
  C      -1.123589      1.036217      6.272671
  C      -1.742301     -0.086317      5.429011
  C      -1.629479      3.230298      7.291682
  C      -1.616285      4.268096      6.167320
  N      -2.906737      4.263399      5.495032
  H      -0.950436     -0.491063      4.766317
  H      -2.036173     -0.934337      6.086873
  H      -0.444226      1.644602      5.662592
  H      -0.543090      0.614533      7.115940
  H      -1.378870      5.260403      6.593208
  H      -0.801375      4.027160      5.458814
  H      -2.299858      3.578602      8.089566
  H      -0.632014      3.057788      7.734135
  H      -5.141113      1.346022      8.340557
  H      -4.390628      2.948213      8.261768
  H      -3.185633      0.243820      7.468459
  H      -2.607186      1.323066      8.770636
  C      -3.786831     -0.670473      4.257312
  C      -3.238922     -1.515928      3.095130
  C      -3.143550     -0.753919      1.791920
  O      -4.514925     -0.495642      1.344760
  C      -4.689894     -0.003707      0.089272
  C      -5.564408     -0.656347     -0.763988
  C      -5.799127     -0.134508     -2.052418
  N      -5.239489      0.966444     -2.534279
  C      -4.396693      1.641461     -1.696945
  C      -3.805947      2.851635     -2.136627
  C      -3.002178      3.565775     -1.272813
  C      -2.791447      3.072967      0.033960
  N      -3.307388      1.937723      0.483434
  C      -4.090539      1.214899     -0.362331
  C      -3.711469      5.449445      5.712282
  C      -4.789607      5.630361      4.646303
  C      -4.198675      5.919848      3.269909
  O      -4.985959      5.342484      2.195718
  C      -6.201489      5.855830      1.923250
  C      -6.722372      7.027064      2.451966
  C      -8.008281      7.448482      2.051827
  N      -8.789930      6.816349      1.190881
  C      -8.290906      5.658590      0.661017
  C      -9.074153      4.935135     -0.270537
  C      -8.581706      3.763432     -0.798195
  C      -7.307864      3.309690     -0.386820
  N      -6.534176      3.953847      0.473478
  C      -7.006995      5.118588      0.990995
  C      -6.329740      2.141813      6.236599
  C      -6.981318      3.475324      6.675831
  C      -8.280124      3.738859      5.938196
  O      -7.965928      3.802196      4.517875
  C      -9.002751      3.560054      3.668060
  C     -10.130855      4.362580      3.607649
  C     -11.142371      4.055835      2.678033
  N     -11.112809      3.026350      1.839537
  C     -10.010629      2.223593      1.890066
  C      -9.927803      1.104596      1.024484
  C      -8.815163      0.287321      1.079224
  C      -7.789569      0.588693      1.998115
  N      -7.819880      1.625657      2.828591
  C      -8.909344      2.443087      2.784179
  H      -4.004372     -1.357097      5.105770
  H      -4.753489     -0.235985      3.958469
  H      -2.231180     -1.884456      3.346775
  H      -3.877295     -2.404270      2.954235
  H      -2.644826     -1.349759      1.011255
  H      -2.613514      0.200060      1.917386
  H      -6.049528     -1.577094     -0.436977
  H      -6.479710     -0.665527     -2.726237
  H      -4.022974      3.194261     -3.148795
  H      -2.539620      4.505411     -1.577472
  H      -2.167088      3.629659      0.740786
  H      -3.062957      6.350734      5.732492
  H      -4.221992      5.426812      6.701958
  H      -5.482884      6.423938      4.961292
  H      -5.379923      4.705034      4.579590
  H      -3.231356      5.412008      3.173536
  H      -4.060404      6.997775      3.086391
  H      -6.165508      7.628002      3.168181
  H      -8.409328      8.374847      2.476861
  H     -10.057075      5.328404     -0.534819
  H      -9.160809      3.175619     -1.511740
  H      -6.915776      2.368790     -0.781344
  H      -6.793619      1.318030      6.818543
  H      -6.596126      1.975581      5.185448
  H      -6.280620      4.297507      6.472065
  H      -7.187487      3.490807      7.758051
  H      -8.747563      4.685658      6.258321
  H      -9.003765      2.920855      6.096734
  H     -10.225376      5.234923      4.254383
  H     -12.023351      4.702794      2.618247
  H     -10.753739      0.922257      0.335310
  H      -8.714693     -0.581795      0.425959
  H      -6.897903     -0.043408      2.048922
  N      -4.861291      2.412462      3.207490
  H      -4.899390      3.332935      2.751189
  H      -5.852362      2.144818      3.332907
  H      -4.481984      1.806607      2.469202
  N      -1.878697      2.654451      3.664630
  N      -0.979132      2.839069      2.996708
104
Coordinates from ORCA-job orca E -6540.283112534452
  N      -2.924234      0.393770      4.711406
  Mo     -3.453402      2.339742      4.976770
  N      -4.889583      2.107078      6.364418
  C      -4.442839      1.981844      7.747871
  C      -3.081417      1.302021      7.771940
  N      -2.188432      1.947837      6.769244
  C      -1.134970      1.026540      6.278417
  C      -1.762465     -0.092443      5.436930
  C      -1.625144      3.226660      7.293846
  C      -1.603010      4.263103      6.168021
  N      -2.892228      4.266170      5.494152
  H      -0.971711     -0.507441      4.779158
  H      -2.067070     -0.935156      6.096699
  H      -0.450446      1.627896      5.667055
  H      -0.557578      0.601694      7.122213
  H      -1.358769      5.253697      6.593933
  H      -0.787884      4.015140      5.462109
  H      -2.293549      3.580846      8.090893
  H      -0.628875      3.048308      7.736524
  H      -5.150678      1.370689      8.342241
  H      -4.390384      2.967620      8.258360
  H      -3.202770      0.252105      7.476814
  H      -2.620023      1.332423      8.775764
  C      -3.807348     -0.662650      4.257706
  C      -3.257868     -1.523314      3.106220
  C      -3.152101     -0.777632      1.793803
  O      -4.519273     -0.532531      1.328287
  C      -4.689434     -0.026397      0.077458
  C      -5.562310     -0.672664     -0.784361
  C      -5.799932     -0.137200     -2.065929
  N      -5.240444      0.970013     -2.536601
  C      -4.397864      1.637425     -1.692166
  C      -3.807711      2.852345     -2.120731
  C      -3.007205      3.561389     -1.249294
  C      -2.805440      3.062235      0.055572
  N      -3.322000      1.922497      0.494617
  C      -4.095760      1.200283     -0.360712
  C      -3.681851      5.463598      5.701762
  C      -4.761706      5.648350      4.638452
  C      -4.178114      5.941288      3.260408
  O      -4.973516      5.365546      2.191074
  C      -6.195702      5.872669      1.936563
  C      -6.721473      7.032665      2.485111
  C      -8.018335      7.443857      2.110791
  N      -8.807091      6.811135      1.257249
  C      -8.302547      5.667236      0.704110
  C      -9.093685      4.945930     -0.222113
  C      -8.596107      3.787567     -0.773890
  C      -7.309803      3.345178     -0.390549
  N      -6.529731      3.987132      0.465586
  C      -7.007032      5.138710      1.006425
  C      -6.332268      2.164988      6.232706
  C      -6.970941      3.512192      6.649023
  C      -8.268564      3.779461      5.910324
  O      -7.963279      3.765475      4.488271
  C      -9.004196      3.520790      3.648236
  C     -10.146169      4.304319      3.604983
  C     -11.159428      3.990316      2.678754
  N     -11.121455      2.969723      1.831348
  C     -10.008072      2.182271      1.868804
  C      -9.918317      1.068297      0.999005
  C      -8.797776      0.263119      1.044638
  C      -7.769691      0.570845      1.959239
  N      -7.805097      1.604627      2.791515
  C      -8.903073      2.410793      2.756074
  H      -4.041731     -1.339759      5.109301
  H      -4.765431     -0.219176      3.945352
  H      -2.253760     -1.895916      3.366432
  H      -3.901499     -2.408685      2.973458
  H      -2.644104     -1.383471      1.025988
  H      -2.626418      0.179160      1.910940
  H      -6.044811     -1.598423     -0.467745
  H      -6.482314     -0.660872     -2.743106
  H      -4.021012      3.201779     -3.132343
  H      -2.542672      4.503079     -1.545569
  H      -2.189554      3.617591      0.769225
  H      -3.023216      6.358032      5.711426
  H      -4.189236      5.458046      6.693299
  H      -5.453430      6.441271      4.957382
  H      -5.352720      4.722790      4.570812
  H      -3.210615      5.435218      3.155188
  H      -4.042074      7.018821      3.077031
  H      -6.160598      7.632001      3.199307
  H      -8.423525      8.360343      2.553489
  H     -10.086184      5.329438     -0.463708
  H      -9.180734      3.202180     -1.485013
  H      -6.911408      2.416418     -0.806146
  H      -6.803251      1.354069      6.826504
  H      -6.597146      1.983582      5.184394
  H      -6.260600      4.321528      6.431350
  H      -7.176130      3.548828      7.730708
  H      -8.703509      4.752445      6.192233
  H      -9.013805      2.991058      6.108749
  H     -10.251756      5.169404      4.259504
  H     -12.051335      4.623810      2.631905
  H     -10.746077      0.880134      0.313952
  H      -8.693581     -0.601477      0.388186
  H      -6.872598     -0.052927      2.006823
  N      -4.845365      2.426213      3.199327
  H      -4.899094      3.358000      2.765745
  H      -5.833654      2.140516      3.308728
  H      -4.445897      1.847476      2.445573
  N      -1.873745      2.651975      3.667212
  N      -0.974208      2.834352      2.999088
104
Coordinates from ORCA-job orca E -6540.283316240687
  N      -2.936296      0.394124      4.713367
  Mo     -3.450182      2.344151      4.978710
  N      -4.890793      2.121058      6.365636
  C      -4.446455      1.999403      7.749846
  C      -3.089389      1.310703      7.777802
  N      -2.191373      1.946950      6.773774
  C      -1.145597      1.016177      6.284045
  C      -1.781751     -0.099334      5.445159
  C      -1.618945      3.222745      7.295524
  C      -1.588495      4.257728      6.168565
  N      -2.877811      4.269357      5.494389
  H      -0.992568     -0.524086      4.791348
  H      -2.096260     -0.936984      6.106867
  H      -0.455743      1.610544      5.671538
  H      -0.571183      0.587722      7.128103
  H      -1.336552      5.246353      6.594604
  H      -0.774243      4.003670      5.463727
  H      -2.285138      3.582666      8.091917
  H      -0.623788      3.038934      7.738669
  H      -5.158167      1.395368      8.347094
  H      -4.387216      2.986894      8.256610
  H      -3.218713      0.260506      7.486853
  H      -2.628866      1.340955      8.782109
  C      -3.826464     -0.655531      4.258533
  C      -3.274647     -1.529174      3.116418
  C      -3.161595     -0.797277      1.796556
  O      -4.525688     -0.569620      1.314582
  C      -4.693198     -0.051380      0.068393
  C      -5.562699     -0.693794     -0.800949
  C      -5.803872     -0.146214     -2.075934
  N      -5.245691      0.966457     -2.538128
  C      -4.404714      1.627439     -1.687844
  C      -3.815314      2.845684     -2.107782
  C      -3.018938      3.550919     -1.229535
  C      -2.825225      3.047296      0.074427
  N      -3.341331      1.903699      0.505901
  C      -4.105604      1.181514     -0.358146
  C      -3.654651      5.475496      5.696325
  C      -4.741115      5.660113      4.639701
  C      -4.168807      5.955685      3.257532
  O      -4.971653      5.381132      2.192371
  C      -6.198876      5.883497      1.952803
  C      -6.727465      7.034072      2.517881
  C      -8.031624      7.438576      2.163083
  N      -8.825038      6.807887      1.312559
  C      -8.316576      5.676208      0.738792
  C      -9.110994      4.960244     -0.188697
  C      -8.607453      3.815497     -0.764572
  C      -7.312292      3.381232     -0.403835
  N      -6.530465      4.017153      0.455423
  C      -7.013447      5.155035      1.020473
  C      -6.332597      2.189209      6.230313
  C      -6.955934      3.550947      6.622509
  C      -8.252693      3.824265      5.883372
  O      -7.959868      3.735153      4.462637
  C      -9.005995      3.486017      3.634948
  C     -10.165535      4.244420      3.613373
  C     -11.178852      3.923379      2.688517
  N     -11.127151      2.916320      1.826422
  C      -9.999165      2.148614      1.847450
  C      -9.896669      1.044064      0.966963
  C      -8.765037      0.255228      1.000029
  C      -7.736548      0.570091      1.913354
  N      -7.782241      1.597189      2.752641
  C      -8.892438      2.387378      2.728867
  H      -4.076899     -1.324406      5.111985
  H      -4.775912     -0.203500      3.933280
  H      -2.273005     -1.902832      3.384157
  H      -3.920140     -2.413910      2.988889
  H      -2.641680     -1.408647      1.040942
  H      -2.645031      0.165065      1.907369
  H      -6.041527     -1.624326     -0.493269
  H      -6.487104     -0.664749     -2.756170
  H      -4.025357      3.200229     -3.118977
  H      -2.553532      4.494324     -1.519482
  H      -2.218757      3.603180      0.794612
  H      -2.989559      6.365207      5.692278
  H      -4.154085      5.484874      6.691746
  H      -5.432107      6.451024      4.964720
  H      -5.329982      4.732784      4.574991
  H      -3.200754      5.451375      3.142980
  H      -4.034993      7.033441      3.073957
  H      -6.163240      7.630877      3.231557
  H      -8.438974      8.346619      2.621091
  H     -10.109876      5.336652     -0.413081
  H      -9.193942      3.235163     -1.477577
  H      -6.907779      2.465121     -0.842016
  H      -6.813038      1.392329      6.835504
  H      -6.595691      1.992879      5.184496
  H      -6.235186      4.346069      6.388807
  H      -7.157100      3.610564      7.703744
  H      -8.653216      4.821462      6.126037
  H      -9.020201      3.069295      6.121264
  H     -10.285693      5.098074      4.280337
  H     -12.083657      4.539508      2.657572
  H     -10.724790      0.849757      0.283618
  H      -8.651856     -0.601753      0.335517
  H      -6.831935     -0.042835      1.955574
  N      -4.832054      2.436289      3.196052
  H      -4.902041      3.376549      2.784287
  H      -5.815706      2.128551      3.291082
  H      -4.412081      1.886390      2.429803
  N      -1.868589      2.647987      3.671419
  N      -0.967219      2.826468      3.004448
104
Coordinates from ORCA-job orca E -6540.283483094637
  N      -2.955447      0.389856      4.718321
  Mo     -3.456291      2.343388      4.980944
  N      -4.892415      2.127795      6.376117
  C      -4.444003      2.012328      7.758537
  C      -3.089080      1.319438      7.783996
  N      -2.193980      1.946746      6.773010
  C      -1.156771      1.008157      6.281115
  C      -1.801995     -0.106093      5.448477
  C      -1.613001      3.221422      7.286148
  C      -1.580109      4.251613      6.155595
  N      -2.871841      4.268324      5.485695
  H      -1.016581     -0.535054      4.792479
  H      -2.117659     -0.941673      6.112508
  H      -0.464523      1.596292      5.665112
  H      -0.581351      0.577552      7.123579
  H      -1.320428      5.239803      6.578190
  H      -0.769442      3.991884      5.448990
  H      -2.274801      3.588022      8.083113
  H      -0.617174      3.035790      7.727068
  H      -5.154578      1.413768      8.362601
  H      -4.378302      3.002307      8.260340
  H      -3.225641      0.268314      7.499195
  H      -2.623745      1.351472      8.785922
  C      -3.847269     -0.655974      4.260023
  C      -3.286865     -1.532530      3.122728
  C      -3.162273     -0.802323      1.802921
  O      -4.520859     -0.594579      1.298108
  C      -4.680308     -0.060585      0.057759
  C      -5.536680     -0.702836     -0.826137
  C      -5.773810     -0.143775     -2.094908
  N      -5.218154      0.976716     -2.543899
  C      -4.389396      1.634617     -1.680904
  C      -3.802549      2.858733     -2.086717
  C      -3.021769      3.564094     -1.194130
  C      -2.844364      3.056460      0.109520
  N      -3.356694      1.905764      0.528832
  C      -4.101262      1.180454     -0.350528
  C      -3.635905      5.483320      5.678748
  C      -4.726014      5.665255      4.624888
  C      -4.157266      5.958918      3.240860
  O      -4.962741      5.386281      2.176806
  C      -6.192500      5.885757      1.945571
  C      -6.720752      7.033612      2.514624
  C      -8.030744      7.431598      2.174208
  N      -8.829906      6.797051      1.332861
  C      -8.320801      5.670813      0.750722
  C      -9.119705      4.952312     -0.171215
  C      -8.612373      3.814428     -0.758581
  C      -7.309290      3.389528     -0.415411
  N      -6.525003      4.025727      0.441676
  C      -7.011530      5.156452      1.018057
  C      -6.334032      2.196926      6.243413
  C      -6.949419      3.567386      6.618386
  C      -8.245831      3.847578      5.879106
  O      -7.965166      3.701705      4.462224
  C      -9.015807      3.460386      3.643827
  C     -10.184509      4.203910      3.643309
  C     -11.196702      3.890451      2.713861
  N     -11.138521      2.900051      1.834122
  C     -10.005734      2.139668      1.841635
  C      -9.901347      1.045305      0.950250
  C      -8.769313      0.260254      0.973864
  C      -7.739654      0.570231      1.889355
  N      -7.786599      1.589165      2.736406
  C      -8.898978      2.374907      2.720749
  H      -4.109747     -1.321815      5.112069
  H      -4.790236     -0.199253      3.923228
  H      -2.287897     -1.906015      3.399344
  H      -3.930093     -2.417749      2.988406
  H      -2.622182     -1.409256      1.058336
  H      -2.661398      0.167182      1.918010
  H      -6.009306     -1.640719     -0.532342
  H      -6.449943     -0.660260     -2.783861
  H      -4.002312      3.217006     -3.098298
  H      -2.557370      4.511144     -1.473473
  H      -2.256490      3.615406      0.841967
  H      -2.964600      6.368077      5.659326
  H      -4.128464      5.509253      6.677115
  H      -5.417776      6.454103      4.951974
  H      -5.311914      4.735864      4.563822
  H      -3.189901      5.452643      3.124289
  H      -4.019390      7.036004      3.055451
  H      -6.151371      7.633345      3.221165
  H      -8.437435      8.336145      2.638303
  H     -10.124236      5.320746     -0.383477
  H      -9.201816      3.232695     -1.467814
  H      -6.901328      2.481623     -0.867635
  H      -6.816628      1.409120      6.859025
  H      -6.598577      1.985596      5.200773
  H      -6.222445      4.353148      6.372957
  H      -7.145480      3.643432      7.699611
  H      -8.617011      4.862937      6.090640
  H      -9.031752      3.121837      6.146493
  H     -10.313096      5.043249      4.326314
  H     -12.106849      4.498489      2.697525
  H     -10.729951      0.855023      0.266222
  H      -8.655207     -0.588786      0.301038
  H      -6.835027     -0.041965      1.928441
  N      -4.839236      2.438529      3.200497
  H      -4.922310      3.382682      2.804409
  H      -5.817951      2.112352      3.288604
  H      -4.409185      1.908930      2.424523
  N      -1.880380      2.636588      3.666547
  N      -0.982124      2.808883      2.993965
104
Coordinates from ORCA-job orca E -6540.283626663913
  N      -2.969073      0.386476      4.727360
  Mo     -3.454905      2.344766      4.988908
  N      -4.889131      2.140940      6.389975
  C      -4.438765      2.032429      7.771635
  C      -3.088236      1.330640      7.796678
  N      -2.192005      1.945914      6.779086
  C      -1.165084      0.996344      6.286994
  C      -1.821716     -0.116470      5.461673
  C      -1.599569      3.218519      7.283298
  C      -1.563404      4.244640      6.149072
  N      -2.857032      4.269548      5.482854
  H      -1.040043     -0.558006      4.809471
  H      -2.145741     -0.944818      6.131070
  H      -0.470421      1.576244      5.666251
  H      -0.589762      0.564662      7.129270
  H      -1.295410      5.232280      6.568052
  H      -0.756617      3.977818      5.440428
  H      -2.255898      3.593275      8.080853
  H      -0.603800      3.027052      7.722035
  H      -5.151539      1.442204      8.381620
  H      -4.365047      3.025281      8.267477
  H      -3.233002      0.279183      7.517449
  H      -2.619049      1.364178      8.796811
  C      -3.862223     -0.654888      4.261741
  C      -3.298812     -1.534245      3.129427
  C      -3.171429     -0.806164      1.809199
  O      -4.528502     -0.615992      1.292545
  C      -4.685879     -0.071923      0.057477
  C      -5.530154     -0.716172     -0.836623
  C      -5.762833     -0.152158     -2.103674
  N      -5.214257      0.975713     -2.542048
  C      -4.398583      1.636278     -1.668731
  C      -3.816655      2.866635     -2.063832
  C      -3.050172      3.574861     -1.160919
  C      -2.881132      3.063381      0.142336
  N      -3.386682      1.906088      0.551595
  C      -4.116670      1.177704     -0.338005
  C      -3.606592      5.495426      5.664021
  C      -4.703094      5.675289      4.616271
  C      -4.143359      5.956471      3.227395
  O      -4.961652      5.387445      2.170957
  C      -6.193082      5.889545      1.952230
  C      -6.716706      7.034979      2.531976
  C      -8.029727      7.434589      2.204918
  N      -8.834799      6.805582      1.364160
  C      -8.328879      5.683934      0.768946
  C      -9.130929      4.974325     -0.157327
  C      -8.625041      3.844068     -0.760284
  C      -7.320089      3.416950     -0.429196
  N      -6.532623      4.044321      0.431394
  C      -7.017639      5.167823      1.023284
  C      -6.330315      2.212740      6.254523
  C      -6.941473      3.592333      6.600544
  C      -8.235972      3.867036      5.854986
  O      -7.962880      3.665364      4.443629
  C      -9.016743      3.423142      3.632283
  C     -10.195251      4.150761      3.648006
  C     -11.210050      3.833786      2.721642
  N     -11.145852      2.854793      1.830140
  C     -10.003832      2.107573      1.823592
  C      -9.891700      1.023185      0.920024
  C      -8.749690      0.251264      0.927711
  C      -7.719161      0.562782      1.842252
  N      -7.774246      1.572275      2.700181
  C      -8.894625      2.346890      2.697384
  H      -4.134389     -1.319255      5.112134
  H      -4.800242     -0.193563      3.917271
  H      -2.300711     -1.906427      3.410378
  H      -3.939982     -2.421061      2.993747
  H      -2.618330     -1.408211      1.070505
  H      -2.682962      0.169565      1.925934
  H      -5.994841     -1.661302     -0.552582
  H      -6.428700     -0.671270     -2.801182
  H      -4.010348      3.227587     -3.074679
  H      -2.590744      4.526923     -1.431897
  H      -2.305280      3.624730      0.883832
  H      -2.926444      6.373144      5.628602
  H      -4.091784      5.539768      6.665524
  H      -5.390371      6.468567      4.942823
  H      -5.292338      4.747933      4.566209
  H      -3.181835      5.440910      3.106016
  H      -3.997099      7.031253      3.036534
  H      -6.141356      7.631185      3.237220
  H      -8.431951      8.336580      2.677870
  H     -10.136153      5.344210     -0.361503
  H      -9.216486      3.270150     -1.473969
  H      -6.913144      2.515686     -0.895950
  H      -6.816702      1.439149      6.884703
  H      -6.593344      1.980816      5.215743
  H      -6.209721      4.369105      6.341319
  H      -7.137674      3.690889      7.679973
  H      -8.587190      4.896481      6.030064
  H      -9.035424      3.167003      6.150180
  H     -10.331401      4.980530      4.341635
  H     -12.126729      4.431805      2.717885
  H     -10.722880      0.829257      0.240106
  H      -8.628349     -0.589778      0.244265
  H      -6.807333     -0.040840      1.870362
  N      -4.843164      2.442750      3.210254
  H      -4.943554      3.392267      2.830110
  H      -5.815271      2.097310      3.292775
  H      -4.404596      1.935613      2.423914
  N      -1.881351      2.625563      3.669660
  N      -0.980562      2.788957      2.997286
104
Coordinates from ORCA-job orca E -6540.283925367792
  N      -2.982133      0.381021      4.739039
  Mo     -3.460018      2.341845      5.002169
  N      -4.888710      2.143921      6.411662
  C      -4.434155      2.042628      7.791574
  C      -3.085938      1.335872      7.813595
  N      -2.192629      1.943408      6.788671
  C      -1.173125      0.987020      6.294552
  C      -1.838234     -0.125987      5.476035
  C      -1.593129      3.215633      7.284881
  C      -1.558562      4.238960      6.148329
  N      -2.854155      4.267274      5.485570
  H      -1.059093     -0.576644      4.826717
  H      -2.166837     -0.949036      6.150162
  H      -0.478595      1.561638      5.668863
  H      -0.595790      0.555518      7.135765
  H      -1.287016      5.226699      6.565108
  H      -0.754437      3.969992      5.437027
  H      -2.245252      3.595498      8.083579
  H      -0.596487      3.021868      7.721010
  H      -5.146679      1.458863      8.407918
  H      -4.353798      3.038091      8.281643
  H      -3.235903      0.283923      7.538725
  H      -2.611026      1.371597      8.810977
  C      -3.868006     -0.659777      4.257719
  C      -3.293029     -1.531030      3.126004
  C      -3.166599     -0.796970      1.808971
  O      -4.522252     -0.635285      1.277468
  C      -4.679501     -0.084588      0.045529
  C      -5.507422     -0.736478     -0.858472
  C      -5.739478     -0.169081     -2.124323
  N      -5.207033      0.970456     -2.552084
  C      -4.408893      1.638901     -1.669216
  C      -3.842290      2.880315     -2.053518
  C      -3.093418      3.594707     -1.141452
  C      -2.924642      3.077564      0.160173
  N      -3.413991      1.910347      0.559526
  C      -4.128085      1.176833     -0.338415
  C      -3.591433      5.502493      5.652893
  C      -4.689616      5.680015      4.606144
  C      -4.130159      5.955555      3.215494
  O      -4.951609      5.391154      2.158877
  C      -6.181901      5.896710      1.942757
  C      -6.697950      7.047839      2.518800
  C      -8.011891      7.449162      2.197619
  N      -8.824267      6.817659      1.365599
  C      -8.324966      5.691527      0.772525
  C      -9.134073      4.979474     -0.145814
  C      -8.634451      3.846134     -0.746428
  C      -7.328113      3.417758     -0.422013
  N      -6.534195      4.046400      0.431483
  C      -7.013295      5.173264      1.020916
  C      -6.329547      2.217786      6.276305
  C      -6.935265      3.605641      6.596968
  C      -8.226343      3.877838      5.844074
  O      -7.959226      3.625524      4.439849
  C      -9.016468      3.394492      3.632698
  C     -10.197687      4.116563      3.662298
  C     -11.214017      3.807289      2.734551
  N     -11.149523      2.841890      1.829027
  C     -10.005482      2.097693      1.810724
  C      -9.891734      1.025365      0.891565
  C      -8.749162      0.254940      0.888733
  C      -7.720154      0.555202      1.809316
  N      -7.777200      1.553468      2.679827
  C      -8.896352      2.328031      2.684973
  H      -4.145981     -1.329785      5.101930
  H      -4.804282     -0.198826      3.906972
  H      -2.293487     -1.896040      3.411280
  H      -3.924837     -2.423655      2.981948
  H      -2.592715     -1.384147      1.074446
  H      -2.700797      0.189179      1.933641
  H      -5.958183     -1.691115     -0.583328
  H      -6.390809     -0.694832     -2.830697
  H      -4.035348      3.244709     -3.063182
  H      -2.647937      4.555397     -1.404074
  H      -2.362696      3.642063      0.909697
  H      -2.903188      6.373912      5.605200
  H      -4.073247      5.562339      6.655581
  H      -5.376260      6.474585      4.931587
  H      -5.279238      4.752421      4.561241
  H      -3.173097      5.432337      3.094401
  H      -3.975534      7.029971      3.024150
  H      -6.115503      7.647164      3.215969
  H      -8.408038      8.354947      2.668536
  H     -10.139947      5.350335     -0.346326
  H      -9.231761      3.270124     -1.454173
  H      -6.927099      2.513476     -0.887066
  H      -6.818033      1.457623      6.921067
  H      -6.593643      1.966676      5.241995
  H      -6.197694      4.373527      6.327244
  H      -7.132860      3.723907      7.674212
  H      -8.558102      4.919539      5.984915
  H      -9.039292      3.203679      6.162152
  H     -10.336759      4.935187      4.368269
  H     -12.131666      4.403560      2.741674
  H     -10.723627      0.837798      0.210158
  H      -8.626205     -0.578050      0.194362
  H      -6.810092     -0.050418      1.831497
  N      -4.857419      2.445497      3.227441
  H      -4.980384      3.399979      2.866197
  H      -5.820200      2.076647      3.304815
  H      -4.412362      1.963292      2.429375
  N      -1.889645      2.614534      3.677083
  N      -0.985580      2.770952      3.006095
104
Coordinates from ORCA-job orca E -6540.284040245022
  N      -3.007766      0.370754      4.748842
  Mo     -3.471487      2.335707      5.010173
  N      -4.888256      2.152233      6.434707
  C      -4.422887      2.060264      7.811173
  C      -3.080016      1.342970      7.825976
  N      -2.192726      1.937504      6.787626
  C      -1.184879      0.970106      6.291303
  C      -1.864836     -0.142495      5.483342
  C      -1.580376      3.208870      7.270664
  C      -1.549498      4.226362      6.128733
  N      -2.850203      4.260690      5.476324
  H      -1.092592     -0.603685      4.833238
  H      -2.196026     -0.958850      6.164537
  H      -0.490796      1.535472      5.656997
  H      -0.605285      0.538886      7.131136
  H      -1.268817      5.214648      6.538258
  H      -0.753569      3.949442      5.411051
  H      -2.223888      3.597868      8.071911
  H      -0.581952      3.010727      7.700433
  H      -5.134881      1.487856      8.438579
  H      -4.329793      3.059553      8.291135
  H      -3.240010      0.290537      7.558936
  H      -2.594077      1.382238      8.817840
  C      -3.889274     -0.667542      4.253384
  C      -3.306780     -1.529649      3.119093
  C      -3.171277     -0.785860      1.807999
  O      -4.521106     -0.639422      1.256919
  C      -4.666098     -0.077248      0.028985
  C      -5.455674     -0.738896     -0.900843
  C      -5.668609     -0.165941     -2.168278
  N      -5.153732      0.989059     -2.572029
  C      -4.390532      1.666230     -1.665935
  C      -3.838762      2.922119     -2.027528
  C      -3.120133      3.640309     -1.096062
  C      -2.965662      3.113342      0.203886
  N      -3.444035      1.936436      0.583204
  C      -4.129702      1.198929     -0.332942
  C      -3.572699      5.506084      5.635524
  C      -4.675732      5.687049      4.593835
  C      -4.119729      5.949499      3.199079
  O      -4.946599      5.384386      2.148146
  C      -6.174471      5.893845      1.928862
  C      -6.684108      7.053092      2.494740
  C      -7.997122      7.456136      2.171393
  N      -8.814094      6.819438      1.347661
  C      -8.320814      5.684514      0.765905
  C      -9.134074      4.966783     -0.144463
  C      -8.639065      3.826902     -0.735455
  C      -7.334140      3.395887     -0.407287
  N      -6.536400      4.029324      0.438850
  C      -7.010445      5.163997      1.016782
  C      -6.329180      2.230642      6.307528
  C      -6.925442      3.628637      6.597529
  C      -8.215933      3.892977      5.839949
  O      -7.958661      3.587370      4.444992
  C      -9.022159      3.368069      3.643137
  C     -10.202909      4.091667      3.681061
  C     -11.222604      3.788245      2.754494
  N     -11.162314      2.829006      1.841800
  C     -10.018671      2.083141      1.816420
  C      -9.906580      1.017379      0.888814
  C      -8.763813      0.245251      0.879907
  C      -7.734192      0.536186      1.801906
  N      -7.790702      1.527829      2.680719
  C      -8.907897      2.305244      2.690006
  H      -4.170630     -1.344866      5.090758
  H      -4.824255     -0.204589      3.901528
  H      -2.308786     -1.895189      3.408654
  H      -3.935022     -2.422363      2.962736
  H      -2.578225     -1.358577      1.077305
  H      -2.721626      0.205414      1.947002
  H      -5.891498     -1.705599     -0.644319
  H      -6.288570     -0.699465     -2.896454
  H      -4.019409      3.292820     -3.037125
  H      -2.688470      4.612000     -1.341277
  H      -2.426127      3.678533      0.969786
  H      -2.874668      6.369163      5.575357
  H      -4.047698      5.578880      6.640713
  H      -5.355390      6.488470      4.917278
  H      -5.271758      4.763001      4.558483
  H      -3.167777      5.417422      3.079248
  H      -3.957404      7.021811      3.002222
  H      -6.097169      7.657306      3.184027
  H      -8.388968      8.368407      2.633528
  H     -10.138968      5.340051     -0.348329
  H      -9.238873      3.247150     -1.438716
  H      -6.937818      2.484257     -0.861720
  H      -6.816629      1.488835      6.973674
  H      -6.601513      1.956360      5.280872
  H      -6.182234      4.384032      6.309889
  H      -7.120825      3.772840      7.671663
  H      -8.530050      4.944499      5.943519
  H      -9.039856      3.245640      6.184025
  H     -10.340696      4.904532      4.394021
  H     -12.139621      4.386072      2.768923
  H     -10.740023      0.835190      0.208221
  H      -8.641354     -0.583626      0.180434
  H      -6.826117     -0.073132      1.819018
  N      -4.888125      2.446632      3.246832
  H      -5.019275      3.402195      2.891268
  H      -5.847311      2.071818      3.331769
  H      -4.451006      1.967624      2.442761
  N      -1.908439      2.588564      3.671742
  N      -1.007243      2.730649      2.993613
104
Coordinates from ORCA-job orca E -6540.284090261838
  N      -3.017585      0.369860      4.760790
  Mo     -3.476295      2.335917      5.021502
  N      -4.886715      2.155440      6.454571
  C      -4.413918      2.070116      7.828832
  C      -3.071910      1.351244      7.839786
  N      -2.189976      1.941480      6.794241
  C      -1.185891      0.971055      6.295295
  C      -1.871431     -0.142273      5.492128
  C      -1.573747      3.213876      7.270814
  C      -1.546593      4.228099      6.125888
  N      -2.850438      4.262366      5.479348
  H      -1.102126     -0.605078      4.839569
  H      -2.200217     -0.957057      6.176359
  H      -0.493161      1.533303      5.656406
  H      -0.604012      0.540045      7.133457
  H      -1.262179      5.216839      6.531546
  H      -0.754216      3.947092      5.405876
  H      -2.213761      3.606080      8.073292
  H      -0.573612      3.016264      7.696629
  H      -5.122896      1.501831      8.463037
  H      -4.316153      3.071518      8.303081
  H      -3.234634      0.297872      7.577737
  H      -2.580171      1.394673      8.828609
  C      -3.894795     -0.670201      4.261487
  C      -3.309969     -1.529064      3.124708
  C      -3.175337     -0.786445      1.812124
  O      -4.522777     -0.656610      1.252493
  C      -4.670384     -0.093216      0.024858
  C      -5.450553     -0.761676     -0.907696
  C      -5.665954     -0.191190     -2.176706
  N      -5.158281      0.966425     -2.580688
  C      -4.401087      1.648599     -1.674128
  C      -3.855059      2.905137     -2.038814
  C      -3.139901      3.627564     -1.110039
  C      -2.986360      3.106295      0.192869
  N      -3.462462      1.931167      0.575235
  C      -4.141756      1.186701     -0.339167
  C      -3.563809      5.514058      5.632500
  C      -4.666659      5.698945      4.591592
  C      -4.114099      5.958983      3.194951
  O      -4.947615      5.394554      2.148880
  C      -6.175162      5.906814      1.934636
  C      -6.681211      7.064843      2.507626
  C      -7.994881      7.470190      2.191533
  N      -8.816097      6.836890      1.369004
  C      -8.326374      5.704039      0.779715
  C      -9.144237      4.991834     -0.130692
  C      -8.652483      3.854577     -0.730923
  C      -7.347227      3.420064     -0.409671
  N      -6.545935      4.047871      0.437324
  C      -7.015953      5.180819      1.023178
  C      -6.328624      2.225056      6.333243
  C      -6.928140      3.626604      6.603287
  C      -8.216378      3.886284      5.838537
  O      -7.963055      3.538374      4.453741
  C      -9.022306      3.334270      3.645348
  C     -10.203304      4.056861      3.685299
  C     -11.211402      3.770791      2.742519
  N     -11.142563      2.828539      1.812809
  C     -10.000999      2.080971      1.786807
  C      -9.881011      1.031117      0.841352
  C      -8.742543      0.254829      0.834362
  C      -7.723945      0.526296      1.773769
  N      -7.786763      1.504724      2.668303
  C      -8.900307      2.285716      2.676462
  H      -4.174031     -1.350934      5.096692
  H      -4.831241     -0.208787      3.911626
  H      -2.311350     -1.893676      3.413209
  H      -3.937063     -2.422509      2.968660
  H      -2.572468     -1.354433      1.085655
  H      -2.736943      0.209552      1.951364
  H      -5.878896     -1.731374     -0.651182
  H      -6.279739     -0.729815     -2.906448
  H      -4.035995      3.271516     -3.050864
  H      -2.712918      4.599538     -1.357426
  H      -2.453529      3.676686      0.958416
  H      -2.859598      6.371629      5.566675
  H      -4.036901      5.595300      6.637843
  H      -5.343413      6.502527      4.914583
  H      -5.264286      4.776301      4.557528
  H      -3.163751      5.424466      3.071390
  H      -3.950240      7.030608      2.997282
  H      -6.090820      7.666066      3.196830
  H      -8.384220      8.381639      2.658366
  H     -10.149246      5.367354     -0.328010
  H      -9.255471      3.279515     -1.434608
  H      -6.952867      2.509603     -0.869537
  H      -6.809339      1.491962      7.013903
  H      -6.603949      1.931975      5.312746
  H      -6.182195      4.376800      6.309047
  H      -7.127842      3.784499      7.674996
  H      -8.514785      4.945114      5.913844
  H      -9.049754      3.260013      6.198805
  H     -10.350241      4.857318      4.409560
  H     -12.127691      4.369142      2.758284
  H     -10.705275      0.864721      0.144463
  H      -8.614744     -0.562409      0.121682
  H      -6.819880     -0.087059      1.791985
  N      -4.896740      2.450685      3.261767
  H      -5.029369      3.405332      2.906509
  H      -5.856508      2.075922      3.347460
  H      -4.460657      1.970609      2.457041
  N      -1.916302      2.579997      3.678770
  N      -1.016313      2.716509      2.997801
104
Coordinates from ORCA-job orca E -6540.284136384844
  N      -3.035632      0.362040      4.762996
  Mo     -3.476720      2.334847      5.019762
  N      -4.888115      2.170569      6.457748
  C      -4.410649      2.095327      7.831315
  C      -3.075556      1.364147      7.843765
  N      -2.192199      1.940198      6.790883
  C      -1.197494      0.957866      6.295065
  C      -1.895677     -0.154102      5.501841
  C      -1.564803      3.211021      7.259097
  C      -1.533317      4.220834      6.109945
  N      -2.838986      4.262733      5.466340
  H      -1.130631     -0.632644      4.855425
  H      -2.234575     -0.957970      6.194079
  H      -0.502129      1.508904      5.649363
  H      -0.616949      0.527200      7.134098
  H      -1.239438      5.208132      6.512051
  H      -0.744010      3.930164      5.390306
  H      -2.199588      3.610959      8.061767
  H      -0.564782      3.007839      7.682369
  H      -5.121524      1.539420      8.474546
  H      -4.301583      3.100166      8.295537
  H      -3.248818      0.310598      7.589749
  H      -2.579596      1.410870      8.830362
  C      -3.909986     -0.675952      4.256132
  C      -3.321287     -1.535296      3.120388
  C      -3.173653     -0.792934      1.808748
  O      -4.516326     -0.659146      1.237865
  C      -4.654342     -0.083404      0.016084
  C      -5.433005     -0.736724     -0.927348
  C      -5.641642     -0.150818     -2.190521
  N      -5.127749      1.008766     -2.577966
  C      -4.373506      1.678344     -1.658950
  C      -3.826390      2.939964     -2.004716
  C      -3.116632      3.652108     -1.064314
  C      -2.971493      3.115178      0.233317
  N      -3.451126      1.935383      0.596912
  C      -4.122651      1.200405     -0.330318
  C      -3.538801      5.522138      5.614859
  C      -4.643296      5.711363      4.577347
  C      -4.100140      5.958551      3.174999
  O      -4.947099      5.387706      2.142761
  C      -6.172529      5.906486      1.932856
  C      -6.670053      7.067411      2.505466
  C      -7.984638      7.477209      2.198212
  N      -8.815670      6.844508      1.386106
  C      -8.334194      5.709912      0.795457
  C      -9.162638      5.001006     -0.107567
  C      -8.679355      3.862818     -0.713593
  C      -7.372465      3.424379     -0.402602
  N      -6.562349      4.048949      0.438394
  C      -7.023397      5.182961      1.028873
  C      -6.330531      2.241991      6.340974
  C      -6.925225      3.652248      6.580714
  C      -8.218434      3.899865      5.818859
  O      -7.977465      3.511234      4.442809
  C      -9.038179      3.307077      3.637732
  C     -10.223734      4.023350      3.681896
  C     -11.235088      3.729753      2.743708
  N     -11.167556      2.783838      1.818143
  C     -10.020942      2.042474      1.788561
  C      -9.902742      0.985843      0.853756
  C      -8.758999      0.216037      0.844892
  C      -7.732958      0.499455      1.771964
  N      -7.793628      1.483808      2.658360
  C      -8.913851      2.257878      2.670066
  H      -4.193830     -1.358837      5.088094
  H      -4.844909     -0.213195      3.904474
  H      -2.325794     -1.905615      3.413368
  H      -3.952411     -2.425089      2.961966
  H      -2.567601     -1.363103      1.085733
  H      -2.732354      0.200808      1.951929
  H      -5.864789     -1.708027     -0.684383
  H      -6.253266     -0.679166     -2.928511
  H      -4.001254      3.317680     -3.013744
  H      -2.688185      4.628186     -1.296781
  H      -2.443805      3.678247      1.007368
  H      -2.827423      6.373107      5.543446
  H      -4.009315      5.613437      6.620266
  H      -5.311671      6.522614      4.898296
  H      -5.247452      4.793098      4.550539
  H      -3.151903      5.420002      3.046971
  H      -3.936424      7.027589      2.966676
  H      -6.072944      7.666980      3.188821
  H      -8.367535      8.391388      2.664175
  H     -10.167991      5.380321     -0.295844
  H      -9.289830      3.291496     -1.413591
  H      -6.982358      2.513857     -0.866655
  H      -6.810178      1.526246      7.040569
  H      -6.610846      1.925535      5.329657
  H      -6.178102      4.391739      6.264564
  H      -7.117909      3.835903      7.649642
  H      -8.509932      4.961980      5.868327
  H      -9.052569      3.288071      6.201433
  H     -10.373007      4.823947      4.405251
  H     -12.156661      4.321167      2.763951
  H     -10.730857      0.811073      0.165590
  H      -8.632648     -0.604748      0.139131
  H      -6.822905     -0.106679      1.787137
  N      -4.896963      2.440080      3.258512
  H      -5.027958      3.391593      2.894489
  H      -5.858519      2.067373      3.344249
  H      -4.456977      1.952751      2.459288
  N      -1.915169      2.560092      3.677774
  N      -1.013211      2.683726      2.997627
104
Coordinates from ORCA-job orca E -6540.284157149634
  N      -3.038546      0.360175      4.767749
  Mo     -3.481675      2.332872      5.025014
  N      -4.886878      2.166287      6.467800
  C      -4.404214      2.095386      7.839842
  C      -3.068788      1.365149      7.848780
  N      -2.190204      1.940083      6.791284
  C      -1.196664      0.957881      6.293001
  C      -1.895049     -0.153771      5.500890
  C      -1.561095      3.211329      7.255321
  C      -1.535774      4.220876      6.106348
  N      -2.845180      4.260264      5.469013
  H      -1.131251     -0.628435      4.849949
  H      -2.229452     -0.960507      6.191960
  H      -0.502396      1.509342      5.646444
  H      -0.614271      0.527184      7.130691
  H      -1.242609      5.208292      6.508484
  H      -0.748371      3.933749      5.383407
  H      -2.192039      3.610884      8.061140
  H      -0.558877      3.009160      7.673933
  H      -5.112157      1.541442      8.488061
  H      -4.292995      3.102042      8.299847
  H      -3.243133      0.311211      7.597260
  H      -2.568663      1.413356      8.833191
  C      -3.907787     -0.680022      4.257322
  C      -3.316241     -1.524132      3.111522
  C      -3.172791     -0.767199      1.808144
  O      -4.517807     -0.627322      1.243593
  C      -4.656163     -0.062076      0.016800
  C      -5.439011     -0.720314     -0.919837
  C      -5.647525     -0.143345     -2.186996
  N      -5.132328      1.013178     -2.583728
  C      -4.375730      1.687703     -1.670206
  C      -3.831377      2.947787     -2.023455
  C      -3.119983      3.664692     -1.088032
  C      -2.966890      3.131639      0.210815
  N      -3.442197      1.952476      0.581027
  C      -4.119768      1.215794     -0.339970
  C      -3.549424      5.516824      5.624355
  C      -4.653014      5.708405      4.585866
  C      -4.103763      5.951750      3.185329
  O      -4.944396      5.378444      2.149960
  C      -6.168254      5.897243      1.931765
  C      -6.666468      7.063586      2.493572
  C      -7.976803      7.476393      2.172675
  N      -8.802128      6.842087      1.355587
  C      -8.319992      5.701020      0.776702
  C      -9.141827      4.989257     -0.130119
  C      -8.658511      3.842771     -0.721047
  C      -7.358275      3.399075     -0.392148
  N      -6.553413      4.027175      0.451434
  C      -7.014533      5.169427      1.027078
  C      -6.330074      2.229133      6.355135
  C      -6.932134      3.636683      6.590857
  C      -8.224790      3.875063      5.826360
  O      -7.973498      3.511044      4.446598
  C      -9.032851      3.315391      3.637139
  C     -10.207535      4.049662      3.670887
  C     -11.221695      3.760107      2.733382
  N     -11.164452      2.804253      1.817066
  C     -10.026537      2.048749      1.795596
  C      -9.915130      0.987394      0.864989
  C      -8.776446      0.209074      0.859941
  C      -7.749086      0.488376      1.787618
  N      -7.803867      1.475924      2.671575
  C      -8.919127      2.257997      2.678201
  H      -4.182514     -1.372019      5.084717
  H      -4.848186     -0.222304      3.913933
  H      -2.318965     -1.893537      3.399804
  H      -3.943526     -2.415097      2.943443
  H      -2.568996     -1.329549      1.077531
  H      -2.731057      0.225338      1.959479
  H      -5.874630     -1.687947     -0.668606
  H      -6.262611     -0.675741     -2.919637
  H      -4.010233      3.320487     -3.033624
  H      -2.695189      4.640667     -1.325956
  H      -2.437081      3.698000      0.980658
  H      -2.840559      6.370060      5.558323
  H      -4.020835      5.600967      6.629776
  H      -5.319969      6.521724      4.905450
  H      -5.260326      4.791697      4.558966
  H      -3.155015      5.412009      3.064850
  H      -3.937018      7.019996      2.974697
  H      -6.072424      7.666129      3.177528
  H      -8.359799      8.395545      2.629349
  H     -10.142918      5.372090     -0.331474
  H      -9.264984      3.268088     -1.421067
  H      -6.969830      2.481231     -0.843178
  H      -6.803734      1.513738      7.059196
  H      -6.612836      1.905139      5.346188
  H      -6.189268      4.381089      6.275143
  H      -7.127100      3.820453      7.659298
  H      -8.533810      4.931275      5.887524
  H      -9.050727      3.245361      6.198195
  H     -10.345400      4.860678      4.385601
  H     -12.134927      4.364099      2.745326
  H     -10.742489      0.817794      0.174314
  H      -8.654718     -0.614557      0.156034
  H      -6.843090     -0.124226      1.805222
  N      -4.912777      2.441222      3.270354
  H      -5.034171      3.388742      2.894541
  H      -5.876996      2.077390      3.364550
  H      -4.485052      1.937731      2.476541
  N      -1.921486      2.556051      3.679589
  N      -1.016822      2.675638      3.002186
104
Coordinates from ORCA-job orca E -6540.284178001927
  N      -3.037561      0.364206      4.761051
  Mo     -3.482030      2.335111      5.022265
  N      -4.887757      2.167061      6.462187
  C      -4.405107      2.096597      7.834405
  C      -3.070769      1.364557      7.844284
  N      -2.190251      1.939018      6.788351
  C      -1.197979      0.955813      6.289773
  C      -1.898471     -0.154311      5.497728
  C      -1.559140      3.208311      7.254276
  C      -1.535037      4.220317      6.107674
  N      -2.844742      4.262106      5.471256
  H      -1.135545     -0.633832      4.849806
  H      -2.238799     -0.958414      6.189133
  H      -0.504079      1.507278      5.643027
  H      -0.615585      0.524536      7.127208
  H      -1.241821      5.206770      6.512332
  H      -0.748158      3.935224      5.383620
  H      -2.187806      3.606543      8.062531
  H      -0.556270      3.003499      7.669919
  H      -5.114043      1.544937      8.483197
  H      -4.292159      3.103989      8.292479
  H      -3.245558      0.310740      7.592553
  H      -2.571960      1.412320      8.829263
  C      -3.913601     -0.672879      4.254322
  C      -3.326192     -1.526533      3.114828
  C      -3.182720     -0.779415      1.806557
  O      -4.528217     -0.636316      1.243919
  C      -4.664365     -0.071607      0.016864
  C      -5.443616     -0.729363     -0.923342
  C      -5.650233     -0.149098     -2.189415
  N      -5.139175      1.011515     -2.580433
  C      -4.386298      1.685972     -1.662664
  C      -3.845003      2.949414     -2.009066
  C      -3.137793      3.664871     -1.068042
  C      -2.983261      3.124891      0.227706
  N      -3.453623      1.940997      0.590765
  C      -4.129882      1.208360     -0.334487
  C      -3.544327      5.521296      5.625802
  C      -4.646077      5.719541      4.586766
  C      -4.096948      5.967613      3.186247
  O      -4.935001      5.393282      2.148836
  C      -6.161798      5.906779      1.933163
  C      -6.664154      7.070947      2.495798
  C      -7.977581      7.477404      2.178374
  N      -8.801914      6.838471      1.363812
  C      -8.316111      5.698352      0.785333
  C      -9.138900      4.978946     -0.114777
  C      -8.654023      3.831453     -0.701160
  C      -7.349260      3.396034     -0.377512
  N      -6.542964      4.031763      0.458915
  C      -7.006809      5.174005      1.031652
  C      -6.330997      2.233754      6.349168
  C      -6.928125      3.643028      6.584230
  C      -8.219038      3.884049      5.818941
  O      -7.971798      3.497053      4.444510
  C      -9.030696      3.300728      3.635139
  C     -10.206221      4.033250      3.670068
  C     -11.218174      3.745288      2.730936
  N     -11.156938      2.794433      1.809409
  C     -10.018432      2.041335      1.785989
  C      -9.902295      0.987451      0.846288
  C      -8.764010      0.210063      0.840042
  C      -7.741971      0.482887      1.775587
  N      -7.800338      1.464841      2.665687
  C      -8.914179      2.246790      2.672889
  H      -4.193033     -1.359179      5.085074
  H      -4.851143     -0.211404      3.907327
  H      -2.330070     -1.897453      3.405313
  H      -3.957464     -2.416605      2.954133
  H      -2.583144     -1.350128      1.079209
  H      -2.735103      0.212297      1.950353
  H      -5.877593     -1.699274     -0.676155
  H      -6.262136     -0.681283     -2.925216
  H      -4.023481      3.326391     -3.016966
  H      -2.715666      4.643094     -1.300285
  H      -2.452639      3.687225      1.000214
  H      -2.831196      6.370992      5.560980
  H      -4.016279      5.607913      6.631179
  H      -5.310406      6.533577      4.910186
  H      -5.257021      4.805313      4.555548
  H      -3.146710      5.432081      3.064374
  H      -3.934743      7.037230      2.977035
  H      -6.071402      7.676683      3.178537
  H      -8.364164      8.394612      2.636164
  H     -10.143346      5.355984     -0.312641
  H      -9.262890      3.249242     -1.393856
  H      -6.959107      2.477687     -0.824911
  H      -6.806655      1.520322      7.053432
  H      -6.614309      1.910888      5.339353
  H      -6.182483      4.385084      6.270285
  H      -7.125155      3.827234      7.652306
  H      -8.517137      4.944259      5.866355
  H      -9.050198      3.267455      6.200915
  H     -10.345967      4.842836      4.385722
  H     -12.131622      4.348302      2.742969
  H     -10.726843      0.821973      0.150694
  H      -8.639261     -0.608926      0.130036
  H      -6.836568     -0.129437      1.793430
  N      -4.911382      2.453089      3.266569
  H      -5.052407      3.406757      2.912666
  H      -5.867181      2.067852      3.349344
  H      -4.470588      1.981175      2.462824
  N      -1.920050      2.563873      3.677933
  N      -1.015743      2.689115      3.001135
104
Coordinates from ORCA-job orca E -6540.284207159089
  N      -3.042451      0.359314      4.767871
  Mo     -3.480196      2.332763      5.024959
  N      -4.886323      2.170028      6.467068
  C      -4.401923      2.104672      7.838831
  C      -3.068899      1.369870      7.849571
  N      -2.188815      1.939332      6.790514
  C      -1.199455      0.952197      6.293563
  C      -1.903135     -0.158793      5.504914
  C      -1.555216      3.209324      7.252016
  C      -1.530710      4.218446      6.102628
  N      -2.840951      4.261590      5.466684
  H      -1.141407     -0.640964      4.857108
  H      -2.243522     -0.960898      6.198776
  H      -0.504116      1.500137      5.645266
  H      -0.617636      0.521224      7.131688
  H      -1.234686      5.205349      6.504532
  H      -0.745046      3.929904      5.378402
  H      -2.182709      3.610611      8.059803
  H      -0.552078      3.004555      7.667484
  H      -5.110945      1.557727      8.491519
  H      -4.285395      3.113919      8.292045
  H      -3.246831      0.315715      7.601050
  H      -2.568374      1.419273      8.833706
  C      -3.917566     -0.676830      4.258428
  C      -3.329691     -1.528577      3.117297
  C      -3.182835     -0.777761      1.811568
  O      -4.526707     -0.632539      1.246011
  C      -4.662883     -0.062804      0.021139
  C      -5.442935     -0.718447     -0.920033
  C      -5.649896     -0.136036     -2.185099
  N      -5.135473      1.023001     -2.576419
  C      -4.380936      1.694812     -1.658639
  C      -3.834502      2.955417     -2.006761
  C      -3.125027      3.668973     -1.066499
  C      -2.976306      3.132217      0.231091
  N      -3.452746      1.951859      0.596641
  C      -4.127928      1.217958     -0.329055
  C      -3.538472      5.521835      5.618420
  C      -4.642955      5.715977      4.581469
  C      -4.098688      5.959610      3.178274
  O      -4.940952      5.383472      2.144796
  C      -6.166753      5.899674      1.930761
  C      -6.666804      7.063241      2.496411
  C      -7.979996      7.472289      2.181841
  N      -8.806614      6.836476      1.367213
  C      -8.322927      5.697918      0.784494
  C      -9.146926      4.983571     -0.118524
  C      -8.662172      3.840010     -0.713178
  C      -7.357216      3.402532     -0.393561
  N      -6.550661      4.032397      0.447058
  C      -7.013755      5.171261      1.027250
  C      -6.329581      2.237076      6.354933
  C      -6.924604      3.648686      6.581580
  C      -8.217413      3.889055      5.818234
  O      -7.977208      3.487033      4.446928
  C      -9.036884      3.292007      3.639432
  C     -10.217338      4.016349      3.681944
  C     -11.228458      3.730038      2.741098
  N     -11.163385      2.786171      1.812973
  C     -10.021060      2.038743      1.783534
  C      -9.902616      0.988886      0.839935
  C      -8.761848      0.215679      0.828884
  C      -7.738910      0.489130      1.763487
  N      -7.799649      1.467439      2.657096
  C      -8.916529      2.244825      2.669210
  H      -4.198602     -1.364840      5.087167
  H      -4.854211     -0.214125      3.910984
  H      -2.334587     -1.901622      3.407721
  H      -3.961718     -2.417222      2.953031
  H      -2.581401     -1.346463      1.084464
  H      -2.736268      0.213308      1.959097
  H      -5.877805     -1.688234     -0.674035
  H      -6.263234     -0.666741     -2.920986
  H      -4.010655      3.331249     -3.015783
  H      -2.697984      4.644491     -1.300070
  H      -2.446072      3.695390      1.003486
  H      -2.825576      6.371336      5.548381
  H      -4.008175      5.612701      6.624464
  H      -5.306818      6.530365      4.904375
  H      -5.252704      4.801151      4.554445
  H      -3.148974      5.423449      3.054430
  H      -3.936784      7.028493      2.965101
  H      -6.072316      7.666439      3.179782
  H      -8.364618      8.388565      2.642813
  H     -10.151148      5.362399     -0.313770
  H      -9.270915      3.262965     -1.410087
  H      -6.966901      2.488013     -0.848942
  H      -6.805561      1.528498      7.064077
  H      -6.613654      1.907837      5.347539
  H      -6.178073      4.386639      6.260198
  H      -7.117147      3.840754      7.649050
  H      -8.509140      4.951384      5.856419
  H      -9.050878      3.280982      6.208549
  H     -10.362506      4.818266      4.404925
  H     -12.145652      4.327378      2.759206
  H     -10.728419      0.822254      0.146256
  H      -8.635580     -0.600335      0.116191
  H      -6.831460     -0.120204      1.778642
  N      -4.910406      2.442012      3.269871
  H      -5.039351      3.392378      2.901128
  H      -5.870036      2.068076      3.358971
  H      -4.473283      1.951605      2.472649
  N      -1.918653      2.552737      3.680862
  N      -1.012077      2.671616      3.005267
104
Coordinates from ORCA-job orca E -6540.284219017864
  N      -3.045281      0.358334      4.768123
  Mo     -3.483237      2.331947      5.027004
  N      -4.887093      2.169382      6.471515
  C      -4.399441      2.106776      7.842262
  C      -3.067036      1.370832      7.851490
  N      -2.188559      1.939453      6.790430
  C      -1.200319      0.951885      6.291838
  C      -1.905654     -0.159434      5.505363
  C      -1.553711      3.209412      7.250612
  C      -1.532840      4.219366      6.101652
  N      -2.844136      4.261186      5.467936
  H      -1.144812     -0.643710      4.858034
  H      -2.246512     -0.959882      6.200970
  H      -0.506451      1.499398      5.641573
  H      -0.616816      0.521269      7.128897
  H      -1.237605      5.206357      6.503827
  H      -0.747745      3.932253      5.376149
  H      -2.178518      3.610275      8.060650
  H      -0.549174      3.004462      7.662476
  H      -5.107502      1.562340      8.498053
  H      -4.280247      3.117019      8.292394
  H      -3.245941      0.316631      7.604018
  H      -2.564886      1.421064      8.834780
  C      -3.916515     -0.679576      4.255664
  C      -3.326078     -1.527583      3.112663
  C      -3.178576     -0.773809      1.808440
  O      -4.522846     -0.625400      1.244008
  C      -4.658916     -0.056175      0.019113
  C      -5.441299     -0.709153     -0.921611
  C      -5.647532     -0.125496     -2.186452
  N      -5.130636      1.032102     -2.577469
  C      -4.374026      1.701693     -1.659708
  C      -3.826258      2.961959     -2.006702
  C      -3.114157      3.672627     -1.066672
  C      -2.964567      3.133623      0.230078
  N      -3.443698      1.954582      0.594628
  C      -4.121311      1.223507     -0.331061
  C      -3.540778      5.522233      5.617590
  C      -4.642902      5.717797      4.578590
  C      -4.096579      5.955813      3.175650
  O      -4.940521      5.377638      2.144625
  C      -6.164473      5.897338      1.928056
  C      -6.660890      7.064426      2.489621
  C      -7.972303      7.477109      2.172475
  N      -8.800622      6.841631      1.359331
  C      -8.320570      5.699479      0.780960
  C      -9.145898      4.986051     -0.121475
  C      -8.664244      3.839535     -0.713174
  C      -7.361964      3.397359     -0.389495
  N      -6.554233      4.026437      0.450543
  C      -7.013625      5.168821      1.026718
  C      -6.330695      2.234194      6.362313
  C      -6.927681      3.646406      6.583307
  C      -8.221575      3.882164      5.819935
  O      -7.980522      3.481308      4.448396
  C      -9.040165      3.290180      3.639653
  C     -10.217935      4.019240      3.679924
  C     -11.229989      3.733762      2.739735
  N     -11.168805      2.786176      1.815092
  C     -10.028796      2.035018      1.787513
  C      -9.914503      0.980869      0.848768
  C      -8.774943      0.205200      0.838923
  C      -7.749412      0.480235      1.769953
  N      -7.806966      1.461537      2.660448
  C      -8.922738      2.240824      2.671793
  H      -4.194759     -1.370683      5.082844
  H      -4.855146     -0.219837      3.909757
  H      -2.330736     -1.899979      3.403364
  H      -3.957060     -2.416500      2.946142
  H      -2.578323     -1.341584      1.079305
  H      -2.730294      0.216131      1.958380
  H      -5.878610     -1.677727     -0.675998
  H      -6.262290     -0.654401     -2.922088
  H      -4.003334      3.339674     -3.015064
  H      -2.686139      4.648400     -1.299019
  H      -2.432402      3.695161      1.002485
  H      -2.826709      6.370903      5.549358
  H      -4.013045      5.613635      6.622343
  H      -5.304171      6.535652      4.898074
  H      -5.255944      4.805110      4.552401
  H      -3.147882      5.417298      3.054082
  H      -3.932996      7.023494      2.958870
  H      -6.064999      7.667639      3.171491
  H      -8.354076      8.396381      2.629552
  H     -10.147992      5.368714     -0.319596
  H      -9.273370      3.264102     -1.410776
  H      -6.974014      2.480091     -0.841601
  H      -6.803813      1.528835      7.076575
  H      -6.616378      1.899115      5.357446
  H      -6.182250      4.383882      6.258270
  H      -7.119852      3.842401      7.650218
  H      -8.518077      4.943317      5.858109
  H      -9.052262      3.270377      6.210603
  H     -10.360653      4.823258      4.401063
  H     -12.145563      4.333864      2.756250
  H     -10.741929      0.813253      0.157442
  H      -8.651893     -0.613791      0.129398
  H      -6.842319     -0.129821      1.785132
  N      -4.913498      2.440183      3.271932
  H      -5.046503      3.389673      2.903943
  H      -5.871993      2.062348      3.359683
  H      -4.473953      1.951611      2.475483
  N      -1.921730      2.551792      3.682886
  N      -1.014755      2.670602      3.008058
104
Coordinates from ORCA-job orca E -6540.284227736445
  N      -3.047349      0.356990      4.769824
  Mo     -3.484075      2.330884      5.028419
  N      -4.886103      2.169450      6.474545
  C      -4.396119      2.111084      7.844582
  C      -3.064630      1.373543      7.853526
  N      -2.186978      1.939480      6.790418
  C      -1.200697      0.950073      6.291719
  C      -1.907946     -0.161147      5.507042
  C      -1.550094      3.209388      7.247838
  C      -1.531998      4.219093      6.098649
  N      -2.844400      4.260624      5.467201
  H      -1.148093     -0.646890      4.859698
  H      -2.249230     -0.960626      6.203544
  H      -0.506733      1.496185      5.640428
  H      -0.616841      0.519557      7.128584
  H      -1.236600      5.206195      6.500464
  H      -0.747912      3.932696      5.371833
  H      -2.171993      3.610878      8.059753
  H      -0.544406      3.004088      7.656583
  H      -5.103562      1.570299      8.504000
  H      -4.274057      3.122992      8.290254
  H      -3.245162      0.319151      7.608123
  H      -2.561276      1.424862      8.836118
  C      -3.918294     -0.680728      4.256638
  C      -3.327415     -1.526965      3.112519
  C      -3.180482     -0.771536      1.809230
  O      -4.525024     -0.621754      1.245528
  C      -4.660532     -0.052306      0.020688
  C      -5.443219     -0.704090     -0.920714
  C      -5.649075     -0.118723     -2.184742
  N      -5.132151      1.039520     -2.574248
  C      -4.375375      1.707884     -1.655606
  C      -3.827793      2.969019     -2.000436
  C      -3.115754      3.678170     -1.058952
  C      -2.965482      3.136364      0.236537
  N      -3.443891      1.956119      0.598983
  C      -4.122183      1.227200     -0.327906
  C      -3.539981      5.522260      5.615990
  C      -4.641677      5.718963      4.576768
  C      -4.095214      5.955143      3.173469
  O      -4.939188      5.375979      2.142854
  C      -6.162782      5.896197      1.925464
  C      -6.658776      7.064354      2.485327
  C      -7.969841      7.477457      2.167278
  N      -8.798161      6.841455      1.354512
  C      -8.318526      5.698270      0.777642
  C      -9.144073      4.983805     -0.123842
  C      -8.663036      3.836000     -0.713385
  C      -7.360857      3.393817     -0.389168
  N      -6.552989      4.023702      0.450143
  C      -7.011999      5.167111      1.024611
  C      -6.329864      2.232889      6.366867
  C      -6.927106      3.645685      6.582552
  C      -8.221494      3.878415      5.819250
  O      -7.981607      3.471771      4.449464
  C      -9.040937      3.283838      3.639997
  C     -10.217691      4.014417      3.680802
  C     -11.229739      3.731629      2.739641
  N     -11.169320      2.785605      1.813471
  C     -10.030212      2.033156      1.785036
  C      -9.916403      0.980890      0.843878
  C      -8.777614      0.204301      0.832618
  C      -7.752243      0.476524      1.764846
  N      -7.809432      1.455892      2.657399
  C      -8.924492      2.235994      2.670127
  H      -4.195792     -1.372962      5.083118
  H      -4.857360     -0.221371      3.911425
  H      -2.331862     -1.899082      3.402915
  H      -3.957846     -2.416151      2.944856
  H      -2.580817     -1.338839      1.079251
  H      -2.731834      0.218270      1.960006
  H      -5.881153     -1.672749     -0.676493
  H      -6.264210     -0.646596     -2.920797
  H      -4.005193      3.348630     -3.007938
  H      -2.687813      4.654537     -1.289414
  H      -2.432615      3.696205      1.009584
  H      -2.825214      6.370307      5.547808
  H      -4.012616      5.614599      6.620498
  H      -5.301322      6.538166      4.896344
  H      -5.256665      4.807629      4.550950
  H      -3.146611      5.416226      3.052557
  H      -3.931352      7.022500      2.954846
  H      -6.062827      7.668231      3.166581
  H      -8.351159      8.397463      2.623255
  H     -10.146054      5.366597     -0.322616
  H      -9.272650      3.259546     -1.409847
  H      -6.973512      2.475697     -0.839862
  H      -6.801749      1.530328      7.084605
  H      -6.616476      1.893296      5.363787
  H      -6.181964      4.382072      6.254550
  H      -7.118564      3.845535      7.648826
  H      -8.517626      4.939717      5.852790
  H      -9.052073      3.268599      6.213283
  H     -10.359919      4.817500      4.403091
  H     -12.144417      4.332998      2.756531
  H     -10.743635      0.815487      0.151621
  H      -8.655088     -0.613191      0.121016
  H      -6.845593     -0.134245      1.779195
  N      -4.916480      2.439190      3.274795
  H      -5.050037      3.388153      2.905836
  H      -5.874282      2.060174      3.363084
  H      -4.476610      1.950319      2.478907
  N      -1.922439      2.548916      3.683971
  N      -1.014369      2.666624      3.010335
104
Coordinates from ORCA-job orca E -6540.284231013058
  N      -3.049620      0.355099      4.770918
  Mo     -3.485308      2.328944      5.030248
  N      -4.885753      2.168435      6.477427
  C      -4.392981      2.115725      7.846684
  C      -3.062956      1.375587      7.855826
  N      -2.185604      1.938473      6.790815
  C      -1.201674      0.946780      6.291953
  C      -1.911268     -0.164208      5.509094
  C      -1.546270      3.208167      7.245627
  C      -1.532689      4.218935      6.097204
  N      -2.846302      4.259555      5.468100
  H      -1.152364     -0.652493      4.862548
  H      -2.254109     -0.961986      6.206796
  H      -0.507430      1.491295      5.639635
  H      -0.617606      0.516161      7.128639
  H      -1.238338      5.206084      6.499757
  H      -0.749259      3.935063      5.368605
  H      -2.163918      3.609475      8.060907
  H      -0.538704      3.002256      7.649421
  H      -5.100167      1.580671      8.510930
  H      -4.266349      3.129953      8.285782
  H      -3.245619      0.321085      7.612399
  H      -2.558689      1.427820      8.837925
  C      -3.920819     -0.681728      4.256202
  C      -3.330353     -1.526212      3.110632
  C      -3.182725     -0.768571      1.808849
  O      -4.527486     -0.612896      1.247223
  C      -4.661756     -0.043790      0.021956
  C      -5.445172     -0.694325     -0.919786
  C      -5.649489     -0.108100     -2.183762
  N      -5.130887      1.049568     -2.572824
  C      -4.373084      1.716562     -1.653947
  C      -3.822345      2.976391     -1.998441
  C      -3.108638      3.683355     -1.056383
  C      -2.960015      3.140993      0.238951
  N      -3.441167      1.961760      0.601197
  C      -4.120978      1.234813     -0.326278
  C      -3.541205      5.521696      5.615149
  C      -4.642009      5.719967      4.575194
  C      -4.095016      5.954388      3.171635
  O      -4.938225      5.373013      2.141303
  C      -6.161466      5.893252      1.922097
  C      -6.657545      7.062652      2.479437
  C      -7.968230      7.475666      2.159621
  N      -8.796163      6.838467      1.347399
  C      -8.316537      5.693912      0.773091
  C      -9.141900      4.977593     -0.127170
  C      -8.661042      3.828349     -0.713583
  C      -7.359028      3.386625     -0.387993
  N      -6.551349      4.018033      0.450340
  C      -7.010294      5.162784      1.021917
  C      -6.329586      2.232738      6.371309
  C      -6.924329      3.647369      6.581191
  C      -8.219380      3.878409      5.818950
  O      -7.983096      3.460834      4.451957
  C      -9.043003      3.277236      3.642823
  C     -10.219738      4.007686      3.686740
  C     -11.232785      3.727426      2.745650
  N     -11.173559      2.783888      1.817004
  C     -10.034508      2.031425      1.785559
  C      -9.922098      0.980958      0.842121
  C      -8.783618      0.204208      0.827800
  C      -7.756890      0.474594      1.759295
  N      -7.812988      1.451991      2.653724
  C      -8.927839      2.232009      2.669640
  H      -4.198275     -1.375222      5.081622
  H      -4.859874     -0.221860      3.911658
  H      -2.335066     -1.899180      3.400670
  H      -3.961175     -2.414772      2.941215
  H      -2.585917     -1.336570      1.077210
  H      -2.730787      0.219471      1.960977
  H      -5.884940     -1.662438     -0.676434
  H      -6.265270     -0.635007     -2.920128
  H      -3.998639      3.356682     -3.005789
  H      -2.677666      4.658230     -1.286428
  H      -2.425022      3.698820      1.011976
  H      -2.825807      6.369271      5.547503
  H      -4.015047      5.615072      6.619089
  H      -5.299468      6.540960      4.894876
  H      -5.259741      4.810421      4.549215
  H      -3.146131      5.415887      3.051814
  H      -3.931935      7.021532      2.950655
  H      -6.062070      7.667724      3.160155
  H      -8.349555      8.396517      2.614002
  H     -10.143785      5.360220     -0.327291
  H      -9.270730      3.250354     -1.408949
  H      -6.972069      2.467440     -0.836446
  H      -6.801370      1.534182      7.092984
  H      -6.617627      1.888968      5.369926
  H      -6.178373      4.380885      6.248780
  H      -7.113722      3.852374      7.646853
  H      -8.512306      4.940765      5.845082
  H      -9.050960      3.273952      6.219032
  H     -10.361874      4.808445      4.411636
  H     -12.147288      4.328988      2.764918
  H     -10.750545      0.816652      0.151033
  H      -8.662642     -0.612110      0.114668
  H      -6.850320     -0.136249      1.771549
  N      -4.918792      2.437219      3.277430
  H      -5.055502      3.386026      2.909155
  H      -5.874599      2.053917      3.364691
  H      -4.475626      1.951203      2.481921
  N      -1.922355      2.546211      3.687035
  N      -1.011784      2.664026      3.016636
104
Coordinates from ORCA-job orca E -6540.284232240007
  N      -3.049948      0.354235      4.772043
  Mo     -3.485214      2.328274      5.030752
  N      -4.884397      2.168533      6.479287
  C      -4.390078      2.118312      7.848019
  C      -3.060434      1.377573      7.856732
  N      -2.183804      1.939182      6.790495
  C      -1.200749      0.946724      6.291580
  C      -1.911259     -0.164674      5.510056
  C      -1.543778      3.209192      7.243531
  C      -1.532431      4.219925      6.094970
  N      -2.846474      4.259475      5.466965
  H      -1.152827     -0.653556      4.863424
  H      -2.253721     -0.961837      6.208651
  H      -0.506693      1.490441      5.638416
  H      -0.616244      0.516471      7.128166
  H      -1.238608      5.207390      6.497148
  H      -0.749389      3.936670      5.365719
  H      -2.159623      3.610622      8.060104
  H      -0.535356      3.003506      7.645218
  H      -5.096686      1.585093      8.514322
  H      -4.262013      3.133429      8.284662
  H      -3.243721      0.322955      7.614238
  H      -2.555392      1.430397      8.838397
  C      -3.920760     -0.683009      4.257554
  C      -3.330299     -1.527040      3.111564
  C      -3.182890     -0.768862      1.809965
  O      -4.527769     -0.612290      1.248632
  C      -4.661548     -0.042085      0.023803
  C      -5.445468     -0.690929     -0.918582
  C      -5.649169     -0.103150     -2.181961
  N      -5.129490      1.054374     -2.569727
  C      -4.371197      1.719772     -1.650164
  C      -3.819192      2.979613     -1.993191
  C      -3.105062      3.685038     -1.050229
  C      -2.957294      3.141139      0.244553
  N      -3.439825      1.961941      0.605487
  C      -4.119865      1.236496     -0.322971
  C      -3.541443      5.521701      5.612448
  C      -4.642033      5.719189      4.572165
  C      -4.095348      5.951299      3.168239
  O      -4.939910      5.369655      2.139124
  C      -6.162685      5.890963      1.919916
  C      -6.657991      7.060720      2.477298
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  N      -8.796625      6.838246      1.344854
  C      -8.317693      5.693507      0.770349
  C      -9.143157      4.978213     -0.130687
  C      -8.662654      3.829137     -0.717890
  C      -7.361035      3.386460     -0.392180
  N      -6.553334      4.016867      0.446859
  C      -7.011873      5.161405      1.019280
  C      -6.328326      2.231080      6.374343
  C      -6.924801      3.645273      6.582944
  C      -8.220802      3.874303      5.821551
  O      -7.985102      3.456302      4.454474
  C      -9.044770      3.274858      3.644707
  C     -10.220712      4.006393      3.688921
  C     -11.233232      3.728931      2.746477
  N     -11.174460      2.787046      1.816209
  C     -10.036296      2.033333      1.784345
  C      -9.924583      0.984215      0.839077
  C      -8.787107      0.206223      0.823967
  C      -7.760597      0.474088      1.756519
  N      -7.816195      1.450036      2.652607
  C      -8.930084      2.231208      2.669474
  H      -4.197417     -1.376803      5.082989
  H      -4.860256     -0.223617      3.913510
  H      -2.334732     -1.899525      3.401372
  H      -3.960644     -2.415892      2.941905
  H      -2.586573     -1.336762      1.077782
  H      -2.730577      0.218958      1.962533
  H      -5.885969     -1.658981     -0.676486
  H      -6.265255     -0.628709     -2.918967
  H      -3.994912      3.361292     -3.000136
  H      -2.672986      4.659956     -1.279119
  H      -2.422115      3.697828      1.018401
  H      -2.826207      6.369333      5.544265
  H      -4.015747      5.615984      6.616066
  H      -5.298791      6.541096      4.890872
  H      -5.260491      4.810290      4.547474
  H      -3.147121      5.411570      3.048521
  H      -3.931343      7.017904      2.945834
  H      -6.062254      7.665289      3.158233
  H      -8.348949      8.395837      2.611740
  H     -10.144616      5.361621     -0.331028
  H      -9.272226      3.252107     -1.414075
  H      -6.974307      2.467512     -0.841493
  H      -6.798747      1.532819      7.097173
  H      -6.616616      1.885795      5.373692
  H      -6.179867      4.379015      6.248798
  H      -7.113296      3.851396      7.648551
  H      -8.514735      4.936451      5.847128
  H      -9.051632      3.269299      6.222478
  H     -10.362796      4.805956      4.415121
  H     -12.146923      4.331662      2.766122
  H     -10.752873      0.821878      0.147149
  H      -8.666745     -0.609104      0.109295
  H      -6.854685     -0.137647      1.768018
  N      -4.919996      2.434436      3.278802
  H      -5.056124      3.382481      2.908220
  H      -5.876003      2.051983      3.367536
  H      -4.477259      1.945968      2.484368
  N      -1.922588      2.544847      3.687279
  N      -1.011753      2.662645      3.017248
104
Coordinates from ORCA-job orca E -6540.284233838854
  N      -3.050101      0.354386      4.772020
  Mo     -3.485174      2.328437      5.030923
  N      -4.884274      2.168725      6.479631
  C      -4.389989      2.118469      7.848343
  C      -3.060491      1.377519      7.856940
  N      -2.183784      1.939142      6.790775
  C      -1.200868      0.946641      6.291681
  C      -1.911457     -0.164598      5.509989
  C      -1.543662      3.209066      7.243885
  C      -1.532609      4.220318      6.095749
  N      -2.846567      4.259498      5.467616
  H      -1.152951     -0.653312      4.863286
  H      -2.253878     -0.961854      6.208483
  H      -0.506673      1.490265      5.638563
  H      -0.616437      0.516184      7.128209
  H      -1.239273      5.207704      6.498419
  H      -0.749266      3.937690      5.366538
  H      -2.159147      3.610185      8.060893
  H      -0.535061      3.003316      7.645113
  H      -5.096656      1.585350      8.514680
  H      -4.261670      3.133538      8.285018
  H      -3.243951      0.322990      7.614186
  H      -2.555428      1.430023      8.838624
  C      -3.920879     -0.682838      4.257422
  C      -3.330195     -1.526821      3.111471
  C      -3.182848     -0.768684      1.809822
  O      -4.527656     -0.613288      1.247900
  C      -4.661354     -0.042882      0.023131
  C      -5.444791     -0.691987     -0.919456
  C      -5.648308     -0.104411     -2.182983
  N      -5.128561      1.053103     -2.570728
  C      -4.370583      1.718650     -1.651083
  C      -3.818284      2.978314     -1.994279
  C      -3.104391      3.683962     -1.051384
  C      -2.957423      3.140613      0.243754
  N      -3.440349      1.961609      0.604853
  C      -4.119781      1.235766     -0.323667
  C      -3.541760      5.521687      5.612542
  C      -4.642279      5.718682      4.572053
  C      -4.095410      5.951218      3.168293
  O      -4.939904      5.370008      2.138926
  C      -6.162726      5.891138      1.919881
  C      -6.658205      7.060604      2.477638
  C      -7.968782      7.474231      2.158164
  N      -8.797156      6.837722      1.345848
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  C      -9.143364      4.978398     -0.130508
  C      -8.662490      3.829896     -0.718613
  C      -7.360690      3.387447     -0.393317
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  C      -7.011896      5.161676      1.019148
  C      -6.328138      2.231209      6.374489
  C      -6.924676      3.645428      6.583087
  C      -8.220671      3.874602      5.821712
  O      -7.985183      3.456207      4.454702
  C      -9.044916      3.275313      3.645037
  C     -10.221172      4.006335      3.689877
  C     -11.233870      3.728982      2.747456
  N     -11.175212      2.787381      1.816925
  C     -10.036793      2.033874      1.784714
  C      -9.925349      0.984551      0.839751
  C      -8.787662      0.206752      0.824289
  C      -7.760628      0.475000      1.756203
  N      -7.816041      1.451022      2.652163
  C      -8.930225      2.231980      2.669419
  H      -4.197736     -1.376570      5.082816
  H      -4.860274     -0.223327      3.913262
  H      -2.334438     -1.898895      3.401261
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  H      -2.585917     -1.336197      1.077815
  H      -2.731301      0.219456      1.962528
  H      -5.885079     -1.660142     -0.677395
  H      -6.264144     -0.630031     -2.920156
  H      -3.993376      3.359694     -3.001507
  H      -2.671940      4.658681     -1.280577
  H      -2.422940      3.697601      1.017822
  H      -2.826738      6.369519      5.544173
  H      -4.016200      5.616112      6.616070
  H      -5.299506      6.540252      4.890656
  H      -5.260282      4.809429      4.547388
  H      -3.147254      5.411341      3.048510
  H      -3.931101      7.017888      2.946466
  H      -6.062444      7.665179      3.158481
  H      -8.349492      8.395159      2.612818
  H     -10.145033      5.361503     -0.330419
  H      -9.271882      3.253130     -1.415135
  H      -6.973731      2.468907     -0.843323
  H      -6.798744      1.532740      7.097036
  H      -6.616210      1.886091      5.373734
  H      -6.179679      4.379010      6.248683
  H      -7.112975      3.851756      7.648685
  H      -8.514161      4.936863      5.847090
  H      -9.051824      3.270029      6.222581
  H     -10.363475      4.805434      4.416579
  H     -12.147741      4.331496      2.767746
  H     -10.753912      0.821976      0.148293
  H      -8.667494     -0.608698      0.109842
  H      -6.854614     -0.136695      1.767265
  N      -4.919956      2.434619      3.278945
  H      -5.056426      3.382723      2.908740
  H      -5.876020      2.052126      3.367653
  H      -4.477234      1.946429      2.484270
  N      -1.922387      2.545351      3.687777
  N      -1.011198      2.663688      3.018307
104
Coordinates from ORCA-job orca E -6540.284235192858
  N      -3.049143      0.354559      4.771285
  Mo     -3.484602      2.328447      5.030148
  N      -4.883736      2.168725      6.478785
  C      -4.389620      2.118376      7.847563
  C      -3.060206      1.377320      7.856200
  N      -2.183294      1.939176      6.790306
  C      -1.200192      0.946834      6.291259
  C      -1.910604     -0.164432      5.509349
  C      -1.543306      3.209090      7.243702
  C      -1.533153      4.221290      6.096308
  N      -2.847012      4.259392      5.468101
  H      -1.151895     -0.652928      4.862715
  H      -2.253008     -0.961729      6.207783
  H      -0.505932      1.490449      5.638204
  H      -0.615860      0.516368      7.127850
  H      -1.241032      5.208657      6.499848
  H      -0.749291      3.940041      5.367079
  H      -2.158153      3.609433      8.061589
  H      -0.534306      3.003402      7.643985
  H      -5.096425      1.585297      8.513786
  H      -4.261208      3.133403      8.284284
  H      -3.243650      0.322887      7.612997
  H      -2.555254      1.429424      8.837973
  C      -3.920621     -0.682585      4.257541
  C      -3.330615     -1.527331      3.111881
  C      -3.182973     -0.769719      1.809960
  O      -4.527751     -0.613569      1.248125
  C      -4.660692     -0.043350      0.023110
  C      -5.444083     -0.692389     -0.919470
  C      -5.646693     -0.105469     -2.183512
  N      -5.125904      1.051441     -2.571580
  C      -4.367926      1.716998     -1.651987
  C      -3.814296      2.975864     -1.995779
  C      -3.100358      3.681708     -1.053110
  C      -2.954848      3.139434      0.242687
  N      -3.439042      1.961052      0.604277
  C      -4.118208      1.234883     -0.324111
  C      -3.543458      5.520938      5.612984
  C      -4.644240      5.716855      4.572542
  C      -4.097471      5.950897      3.168952
  O      -4.941475      5.370212      2.139001
  C      -6.164623      5.890550      1.920136
  C      -6.661019      7.059265      2.478650
  C      -7.971878      7.472108      2.159261
  N      -8.799664      6.835544      1.346395
  C      -8.319492      5.692068      0.770498
  C      -9.144320      4.977089     -0.131328
  C      -8.662705      3.829156     -0.719949
  C      -7.360678      3.387364     -0.394642
  N      -6.553521      4.017650      0.445014
  C      -7.013120      5.161080      1.018754
  C      -6.327511      2.231225      6.373433
  C      -6.924308      3.645078      6.584025
  C      -8.220608      3.874661      5.823424
  O      -7.985053      3.458327      4.455688
  C      -9.044954      3.277959      3.646051
  C     -10.221025      4.009255      3.691137
  C     -11.233976      3.732372      2.748793
  N     -11.175790      2.790899      1.818088
  C     -10.037499      2.037031      1.785706
  C      -9.926571      0.987691      0.840711
  C      -8.789047      0.209559      0.825000
  C      -7.761575      0.477639      1.756511
  N      -7.816474      1.453637      2.652532
  C      -8.930638      2.234813      2.670225
  H      -4.197666     -1.375657      5.083402
  H      -4.859843     -0.222662      3.913460
  H      -2.334812     -1.899473      3.401496
  H      -3.960683     -2.416394      2.942687
  H      -2.586629     -1.337771      1.077893
  H      -2.730644      0.218044      1.962485
  H      -5.884947     -1.660195     -0.677055
  H      -6.262476     -0.630935     -2.920835
  H      -3.988119      3.356640     -3.003486
  H      -2.666701      4.655692     -1.283072
  H      -2.420639      3.696500      1.016832
  H      -2.829394      6.369573      5.544600
  H      -4.017922      5.614738      6.616536
  H      -5.302515      6.537507      4.891416
  H      -5.261107      4.806792      4.547742
  H      -3.149067      5.411497      3.048761
  H      -3.933535      7.017911      2.948467
  H      -6.065779      7.663797      3.160010
  H      -8.353341      8.392517      2.614478
  H     -10.146267      5.359540     -0.331063
  H      -9.271659      3.252243     -1.416749
  H      -6.973195      2.469173     -0.844896
  H      -6.798342      1.531484      7.094614
  H      -6.615379      1.887822      5.372045
  H      -6.179660      4.379099      6.249753
  H      -7.112022      3.850340      7.649917
  H      -8.514543      4.936752      5.850432
  H      -9.051531      3.269168      6.223324
  H     -10.362967      4.808328      4.417968
  H     -12.147563      4.335337      2.769454
  H     -10.755289      0.825478      0.149389
  H      -8.669253     -0.605994      0.110632
  H      -6.855701     -0.134342      1.766890
  N      -4.919399      2.433964      3.278069
  H      -5.056392      3.382108      2.908188
  H      -5.875467      2.051477      3.366979
  H      -4.476694      1.946135      2.483224
  N      -1.921395      2.546607      3.687723
  N      -1.009847      2.666655      3.019095
104
Coordinates from ORCA-job orca E -6540.284235369055
  N      -3.049981      0.354723      4.771325
  Mo     -3.484646      2.328810      5.030337
  N      -4.883409      2.169567      6.479518
  C      -4.388808      2.119705      7.848109
  C      -3.059755      1.378018      7.856473
  N      -2.182971      1.939294      6.790153
  C      -1.200518      0.946399      6.290898
  C      -1.911711     -0.164679      5.509471
  C      -1.542258      3.208959      7.243228
  C      -1.532673      4.221507      6.096117
  N      -2.846748      4.259663      5.468356
  H      -1.153334     -0.653859      4.862945
  H      -2.254529     -0.961539      6.208219
  H      -0.506260      1.489565      5.637467
  H      -0.616067      0.515794      7.127337
  H      -1.240569      5.208743      6.499995
  H      -0.748931      3.940675      5.366590
  H      -2.156243      3.609248      8.061793
  H      -0.532954      3.002900      7.642570
  H      -5.095580      1.587321      8.514915
  H      -4.259637      3.134901      8.284233
  H      -3.243850      0.323643      7.613500
  H      -2.554364      1.430024      8.838026
  C      -3.921741     -0.682176      4.257497
  C      -3.331767     -1.527152      3.112006
  C      -3.183849     -0.769694      1.810053
  O      -4.528493     -0.613787      1.247702
  C      -4.661045     -0.043355      0.022769
  C      -5.444001     -0.692303     -0.920245
  C      -5.646073     -0.105265     -2.184327
  N      -5.125058      1.051694     -2.572073
  C      -4.367539      1.717169     -1.652025
  C      -3.813639      2.976006     -1.995454
  C      -3.100181      3.681789     -1.052382
  C      -2.955454      3.139475      0.243520
  N      -3.439843      1.961078      0.604739
  C      -4.118466      1.234954     -0.324052
  C      -3.542737      5.521544      5.612683
  C      -4.643608      5.717256      4.572280
  C      -4.097002      5.951134      3.168657
  O      -4.941124      5.370417      2.138878
  C      -6.164452      5.890440      1.920341
  C      -6.661127      7.058852      2.479196
  C      -7.972195      7.471317      2.160164
  N      -8.799923      6.834647      1.347325
  C      -8.319464      5.691484      0.771072
  C      -9.144107      4.976567     -0.130964
  C      -8.662123      3.829039     -0.720087
  C      -7.359953      3.387548     -0.394999
  N      -6.552938      4.017811      0.444815
  C      -7.012865      5.160899      1.018965
  C      -6.327210      2.231512      6.374390
  C      -6.924447      3.645333      6.583992
  C      -8.220834      3.874180      5.823338
  O      -7.985534      3.456028      4.456133
  C      -9.045259      3.276516      3.646218
  C     -10.221302      4.007849      3.691560
  C     -11.234094      3.731601      2.748836
  N     -11.175869      2.790625      1.817643
  C     -10.037622      2.036649      1.785037
  C      -9.926736      0.987695      0.839637
  C      -8.789321      0.209449      0.823738
  C      -7.761904      0.477059      1.755484
  N      -7.816784      1.452663      2.651905
  C      -8.930861      2.233926      2.669760
  H      -4.199139     -1.375129      5.083345
  H      -4.860780     -0.221998      3.913264
  H      -2.336016     -1.899356      3.401732
  H      -3.961866     -2.416217      2.942857
  H      -2.587198     -1.337735      1.078235
  H      -2.731682      0.218155      1.962666
  H      -5.884941     -1.660167     -0.678101
  H      -6.261544     -0.630654     -2.921985
  H      -3.986806      3.356854     -3.003241
  H      -2.666310      4.655713     -1.282145
  H      -2.421738      3.696509      1.018030
  H      -2.828433      6.369956      5.543793
  H      -4.017028      5.615976      6.616263
  H      -5.301965      6.537875      4.891041
  H      -5.260316      4.807076      4.547725
  H      -3.148619      5.411762      3.048414
  H      -3.933051      7.018120      2.948180
  H      -6.065919      7.663437      3.160541
  H      -8.353888      8.391470      2.615678
  H     -10.146172      5.358757     -0.330518
  H      -9.270865      3.252213     -1.417123
  H      -6.972154      2.469699     -0.845699
  H      -6.797766      1.532104      7.096083
  H      -6.615118      1.887244      5.373272
  H      -6.180005      4.379265      6.249056
  H      -7.112040      3.851367      7.649765
  H      -8.514515      4.936381      5.849061
  H      -9.051876      3.269345      6.224025
  H     -10.363405      4.806475      4.418837
  H     -12.147623      4.334657      2.769754
  H     -10.755448      0.825856      0.148243
  H      -8.669575     -0.605882      0.109139
  H      -6.856192     -0.135105      1.765744
  N      -4.920001      2.434232      3.278553
  H      -5.057488      3.382490      2.909048
  H      -5.875867      2.051323      3.367530
  H      -4.477231      1.946940      2.483406
  N      -1.921453      2.546773      3.687966
  N      -1.009593      2.667234      3.019799
104
Coordinates from ORCA-job orca E -6540.284235963811
  N      -3.050435      0.354828      4.771239
  Mo     -3.484437      2.329124      5.030154
  N      -4.882955      2.170383      6.479789
  C      -4.387939      2.120952      7.848220
  C      -3.059176      1.378715      7.856423
  N      -2.182500      1.939471      6.789714
  C      -1.200531      0.946099      6.290394
  C      -1.912355     -0.164888      5.509456
  C      -1.541152      3.208916      7.242584
  C      -1.532154      4.221741      6.095681
  N      -2.846471      4.259848      5.468423
  H      -1.154302     -0.654718      4.863041
  H      -2.255539     -0.961328      6.208514
  H      -0.506329      1.488906      5.636611
  H      -0.615963      0.515464      7.126731
  H      -1.240117      5.208887      6.499848
  H      -0.748561      3.941339      5.365839
  H      -2.154376      3.609139      8.061747
  H      -0.531567      3.002542      7.641055
  H      -5.094696      1.589184      8.515520
  H      -4.258155      3.136308      8.283798
  H      -3.243866      0.324373      7.613767
  H      -2.553380      1.430733      8.837759
  C      -3.922623     -0.681873      4.257674
  C      -3.332872     -1.527337      3.112439
  C      -3.184594     -0.770197      1.810369
  O      -4.529119     -0.614003      1.247750
  C      -4.661310     -0.043520      0.022832
  C      -5.444246     -0.692206     -0.920405
  C      -5.645886     -0.105040     -2.184478
  N      -5.124478      1.051842     -2.572096
  C      -4.367116      1.717120     -1.651747
  C      -3.813080      2.975990     -1.994878
  C      -3.099939      3.681673     -1.051482
  C      -2.955570      3.139133      0.244403
  N      -3.439985      1.960659      0.605310
  C      -4.118431      1.234719     -0.323739
  C      -3.542305      5.521834      5.612647
  C      -4.643520      5.717101      4.572525
  C      -4.097316      5.951452      3.168821
  O      -4.941300      5.370673      2.139023
  C      -6.164868      5.890270      1.920751
  C      -6.661971      7.058288      2.479987
  C      -7.973198      7.470366      2.161135
  N      -8.800669      6.833669      1.348056
  C      -8.319808      5.690872      0.771433
  C      -9.144147      4.976000     -0.130904
  C      -8.661730      3.828850     -0.720401
  C      -7.359426      3.387684     -0.395381
  N      -6.552668      4.017926      0.444702
  C      -7.013023      5.160683      1.019187
  C      -6.326799      2.231746      6.374895
  C      -6.924574      3.645393      6.583974
  C      -8.221174      3.873463      5.823441
  O      -7.985884      3.454825      4.456427
  C      -9.045390      3.275920      3.646088
  C     -10.221224      4.007624      3.691296
  C     -11.233812      3.731870      2.748223
  N     -11.175555      2.791061      1.816858
  C     -10.037481      2.036837      1.784277
  C      -9.926515      0.988234      0.838502
  C      -8.789171      0.209880      0.822543
  C      -7.761942      0.477082      1.754607
  N      -7.816897      1.452355      2.651403
  C      -8.930923      2.233655      2.669307
  H      -4.200275     -1.374539      5.083685
  H      -4.861510     -0.221508      3.913307
  H      -2.337290     -1.899866      3.402306
  H      -3.963308     -2.416222      2.943502
  H      -2.587931     -1.338515      1.078789
  H      -2.732206      0.217596      1.962904
  H      -5.885513     -1.659955     -0.678336
  H      -6.261335     -0.630258     -2.922268
  H      -3.985922      3.357036     -3.002647
  H      -2.666091      4.655676     -1.281042
  H      -2.422066      3.696100      1.019101
  H      -2.827977      6.370184      5.543276
  H      -4.016202      5.616562      6.616382
  H      -5.302321      6.537287      4.891466
  H      -5.259591      4.806479      4.548016
  H      -3.148659      5.412638      3.048291
  H      -3.933889      7.018591      2.948636
  H      -6.066913      7.662870      3.161460
  H      -8.355272      8.390157      2.616993
  H     -10.146338      5.357921     -0.330386
  H      -9.270223      3.252052     -1.417684
  H      -6.971254      2.470133     -0.846359
  H      -6.796997      1.532477      7.096958
  H      -6.614794      1.886864      5.373998
  H      -6.180547      4.379543      6.248628
  H      -7.112014      3.851749      7.649708
  H      -8.515299      4.935540      5.848785
  H      -9.051891      3.268422      6.224503
  H     -10.363321      4.806111      4.418705
  H     -12.147199      4.335134      2.769017
  H     -10.755109      0.826807      0.146861
  H      -8.669293     -0.605206      0.107651
  H      -6.856249     -0.135119      1.764794
  N      -4.920170      2.434132      3.278576
  H      -5.057748      3.382397      2.909118
  H      -5.875939      2.051114      3.367703
  H      -4.477479      1.946922      2.483345
  N      -1.921222      2.546902      3.687922
  N      -1.009115      2.668067      3.020183
