102
Coordinates from ORCA-job orca E -6430.511763740201
  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      -4.739798      1.948886      2.450412
  H      -4.229411      3.494139      2.478218
  H      -5.608703      3.078909      3.235986
102
Coordinates from ORCA-job orca E -6430.535107643728
  N      -2.839491      0.485961      4.672032
  Mo     -3.525975      2.317789      4.842382
  N      -4.848897      1.966344      6.210584
  C      -4.390504      1.780322      7.586357
  C      -2.964370      1.228006      7.596993
  N      -2.135895      1.977629      6.627213
  C      -1.011591      1.161084      6.132754
  C      -1.545726      0.069519      5.174131
  C      -1.639278      3.244740      7.198818
  C      -1.704705      4.282600      6.073350
  N      -3.016744      4.154349      5.464710
  H      -0.817644     -0.074311      4.359492
  H      -1.640225     -0.894750      5.701997
  H      -0.334153      1.827783      5.586531
  H      -0.459454      0.707177      6.969271
  H      -1.530624      5.291099      6.471988
  H      -0.918305      4.075385      5.329159
  H      -2.309089      3.565241      8.004463
  H      -0.624665      3.129436      7.604291
  H      -5.047470      1.076806      8.122082
  H      -4.428876      2.738241      8.135468
  H      -2.999035      0.178081      7.287404
  H      -2.527992      1.278827      8.605698
  C      -3.774935     -0.598323      4.440086
  C      -3.370739     -1.528038      3.272297
  C      -3.304787     -0.790073      1.942242
  O      -4.650814     -0.448559      1.547051
  C      -4.790670     -0.048550      0.233675
  C      -5.547224     -0.805030     -0.642597
  C      -5.702600     -0.356512     -1.965341
  N      -5.164636      0.752883     -2.444232
  C      -4.425303      1.513568     -1.599475
  C      -3.852307      2.724881     -2.055359
  C      -3.127030      3.496631     -1.167984
  C      -2.979236      3.056160      0.152834
  N      -3.487294      1.927836      0.616741
  C      -4.205202      1.157703     -0.232818
  C      -3.919927      5.254230      5.800606
  C      -5.008525      5.498683      4.754566
  C      -4.417762      5.984601      3.422576
  O      -5.143814      5.478164      2.306021
  C      -6.394088      5.895674      1.991078
  C      -7.025148      7.052710      2.407843
  C      -8.288648      7.354113      1.869296
  N      -8.913725      6.626523      0.960726
  C      -8.316601      5.478009      0.556230
  C      -8.928747      4.666484     -0.429388
  C      -8.320672      3.480434     -0.781875
  C      -7.144574      3.095155     -0.115393
  N      -6.520760      3.832511      0.784311
  C      -7.074851      5.032955      1.090050
  C      -6.287868      1.878594      6.076228
  C      -7.062882      3.036405      6.762756
  C      -8.283396      3.469179      5.959957
  O      -7.867479      4.029549      4.701594
  C      -8.821773      3.899161      3.714394
  C      -9.824961      4.840394      3.565647
  C     -10.776854      4.660747      2.554305
  N     -10.790128      3.628657      1.726762
  C      -9.822588      2.690303      1.866117
  C      -9.813329      1.567858      1.011975
  C      -8.828012      0.609854      1.174465
  C      -7.842145      0.806793      2.147004
  N      -7.799840      1.855212      2.963677
  C      -8.784735      2.783157      2.844369
  H      -3.874403     -1.222430      5.349985
  H      -4.758233     -0.163940      4.211282
  H      -2.385497     -1.964919      3.469572
  H      -4.104062     -2.339409      3.189923
  H      -2.859674     -1.431696      1.167530
  H      -2.704396      0.126424      2.035014
  H      -6.010422     -1.726353     -0.303434
  H      -6.293149     -0.936843     -2.673142
  H      -4.008955      3.020034     -3.088271
  H      -2.677593      4.436201     -1.471355
  H      -2.415292      3.640622      0.879471
  H      -3.352205      6.195181      5.909518
  H      -4.408134      5.046928      6.771786
  H      -5.734318      6.230590      5.124317
  H      -5.538667      4.553457      4.587525
  H      -3.416008      5.558413      3.271404
  H      -4.342670      7.079925      3.385316
  H      -6.570026      7.735453      3.116873
  H      -8.806587      8.259450      2.183921
  H      -9.863494      4.994969     -0.871182
  H      -8.750109      2.824266     -1.532898
  H      -6.691858      2.125939     -0.316954
  H      -6.647138      0.925801      6.506431
  H      -6.540344      1.884124      4.998635
  H      -6.400150      3.903379      6.863256
  H      -7.404555      2.737740      7.759471
  H      -8.856359      4.234988      6.505251
  H      -8.941596      2.606061      5.777155
  H      -9.863764      5.705037      4.220704
  H     -11.567946      5.393034      2.404901
  H     -10.585798      1.480890      0.254350
  H      -8.800153     -0.273276      0.543680
  H      -7.027041      0.092699      2.270948
  N      -4.646441      2.656184      3.055903
  H      -4.720740      1.817236      2.473485
  H      -4.243185      3.371511      2.451618
  H      -5.607078      2.955920      3.237199
102
Coordinates from ORCA-job orca E -6430.543655524074
  N      -2.915528      0.457899      4.656747
  Mo     -3.577046      2.316785      4.888570
  N      -4.892113      1.981146      6.268739
  C      -4.417981      1.786391      7.642705
  C      -3.003100      1.210291      7.633766
  N      -2.171066      1.956438      6.652169
  C      -1.061014      1.125450      6.125191
  C      -1.610752      0.046381      5.156031
  C      -1.649395      3.224959      7.220821
  C      -1.713548      4.261986      6.094834
  N      -3.043712      4.173312      5.494118
  H      -0.881723     -0.083933      4.336828
  H      -1.700691     -0.929465      5.669018
  H      -0.385152      1.798705      5.577556
  H      -0.496222      0.659801      6.950413
  H      -1.511354      5.270974      6.487489
  H      -0.934289      4.034990      5.345625
  H      -2.303866      3.552780      8.039862
  H      -0.628506      3.089970      7.614698
  H      -5.082678      1.090357      8.183373
  H      -4.435508      2.745367      8.197811
  H      -3.054343      0.160191      7.317802
  H      -2.550392      1.249071      8.639322
  C      -3.836149     -0.645609      4.386435
  C      -3.410313     -1.547643      3.198855
  C      -3.336093     -0.805981      1.871257
  O      -4.691197     -0.477612      1.457359
  C      -4.853402     -0.066017      0.154302
  C      -5.604273     -0.827495     -0.721117
  C      -5.800528     -0.359530     -2.041958
  N      -5.308800      0.779296     -2.519006
  C      -4.574803      1.549027     -1.666052
  C      -4.055997      2.797339     -2.102809
  C      -3.347310      3.581323     -1.211340
  C      -3.152316      3.114417      0.103048
  N      -3.605136      1.951996      0.549200
  C      -4.314003      1.171085     -0.306173
  C      -3.912285      5.311918      5.827329
  C      -4.986174      5.593623      4.777695
  C      -4.358695      6.053450      3.453737
  O      -5.090753      5.570169      2.322963
  C      -6.308052      6.040057      1.994818
  C      -6.884262      7.231770      2.398348
  C      -8.137691      7.587514      1.848135
  N      -8.800697      6.878449      0.941727
  C      -8.250478      5.689051      0.556770
  C      -8.905565      4.878118     -0.405554
  C      -8.363386      3.649602     -0.724948
  C      -7.189677      3.221643     -0.059878
  N      -6.524057      3.954921      0.820659
  C      -7.026120      5.191303      1.099887
  C      -6.337279      1.917148      6.108179
  C      -7.117926      3.086317      6.774774
  C      -8.322155      3.491355      5.943197
  O      -7.857814      4.001781      4.674207
  C      -8.750388      3.797852      3.654664
  C      -9.736682      4.709908      3.338257
  C     -10.612632      4.419580      2.267431
  N     -10.558722      3.310290      1.539049
  C      -9.595042      2.398729      1.851805
  C      -9.492373      1.199209      1.107762
  C      -8.525595      0.276082      1.453101
  C      -7.629758      0.578245      2.501386
  N      -7.662930      1.703298      3.207912
  C      -8.642025      2.598889      2.903718
  H      -3.928952     -1.286443      5.286512
  H      -4.829339     -0.225220      4.165951
  H      -2.415659     -1.974873      3.400120
  H      -4.131664     -2.375388      3.101907
  H      -2.874437     -1.439897      1.096587
  H      -2.747461      0.117857      1.973855
  H      -6.036670     -1.772924     -0.387566
  H      -6.391456     -0.955534     -2.746268
  H      -4.247370      3.111798     -3.130817
  H      -2.944042      4.553950     -1.497280
  H      -2.600738      3.715953      0.836130
  H      -3.309112      6.235500      5.934638
  H      -4.404388      5.124720      6.802396
  H      -5.689028      6.354930      5.143478
  H      -5.560129      4.669102      4.605521
  H      -3.370698      5.589560      3.311248
  H      -4.238364      7.148861      3.417612
  H      -6.394479      7.902454      3.106208
  H      -8.609834      8.527174      2.157033
  H      -9.835323      5.239108     -0.848365
  H      -8.848968      2.985424     -1.444138
  H      -6.784945      2.218507     -0.240138
  H      -6.708743      0.965511      6.533358
  H      -6.575126      1.921050      5.019428
  H      -6.451271      3.956531      6.877374
  H      -7.481183      2.804241      7.774448
  H      -8.920174      4.269562      6.447834
  H      -8.967669      2.613337      5.768057
  H      -9.822605      5.644090      3.895774
  H     -11.390031      5.137077      1.985854
  H     -10.181506      1.037509      0.276846
  H      -8.430841     -0.666302      0.909677
  H      -6.829634     -0.118606      2.766959
  N      -4.744283      2.674444      3.113008
  H      -4.832691      1.835408      2.523768
  H      -4.359130      3.390685      2.489524
  H      -5.707907      2.977764      3.310224
102
Coordinates from ORCA-job orca E -6430.552779957985
  N      -2.905081      0.455728      4.665589
  Mo     -3.553441      2.336061      4.927976
  N      -4.875178      2.010796      6.302878
  C      -4.402837      1.817175      7.678235
  C      -2.992914      1.234717      7.669862
  N      -2.155164      1.979177      6.685109
  C      -1.048705      1.139408      6.150065
  C      -1.597005      0.058922      5.181674
  C      -1.631102      3.260001      7.243818
  C      -1.692258      4.291712      6.110378
  N      -3.028629      4.216737      5.505305
  H      -0.858728     -0.069111      4.368737
  H      -1.684128     -0.919213      5.694144
  H      -0.372280      1.815487      5.603280
  H      -0.480168      0.676144      6.975666
  H      -1.481883      5.303931      6.494585
  H      -0.909303      4.054605      5.366667
  H      -2.284990      3.590473      8.063962
  H      -0.609817      3.121026      7.640340
  H      -5.073780      1.124411      8.218030
  H      -4.418433      2.777890      8.233131
  H      -3.042953      0.183921      7.351338
  H      -2.537949      1.271728      8.675943
  C      -3.806807     -0.663703      4.372978
  C      -3.363100     -1.560806      3.193463
  C      -3.272846     -0.829869      1.867060
  O      -4.628720     -0.504772      1.427664
  C      -4.762292     -0.097965      0.126954
  C      -5.496364     -0.859089     -0.760127
  C      -5.670518     -0.393570     -2.090211
  N      -5.175294      0.745001     -2.567231
  C      -4.457324      1.517501     -1.697302
  C      -3.944256      2.772447     -2.124653
  C      -3.266157      3.568285     -1.223498
  C      -3.087989      3.103477      0.101429
  N      -3.529916      1.932964      0.540415
  C      -4.215343      1.142459     -0.330105
  C      -3.898458      5.356253      5.817800
  C      -4.960690      5.565548      4.746552
  C      -4.322986      5.984440      3.420995
  O      -5.018179      5.429559      2.289413
  C      -6.250617      5.851766      1.977218
  C      -6.856371      7.007151      2.441755
  C      -8.133017      7.350604      1.930526
  N      -8.793484      6.673994      0.997259
  C      -8.211647      5.517671      0.548181
  C      -8.869709      4.738292     -0.437123
  C      -8.320232      3.533641     -0.817080
  C      -7.121166      3.095677     -0.197981
  N      -6.445043      3.801058      0.703221
  C      -6.964688      5.017543      1.049301
  C      -6.320407      1.957349      6.113116
  C      -7.104881      3.116253      6.783727
  C      -8.330562      3.514851      5.983109
  O      -7.934706      4.061283      4.696009
  C      -8.895633      3.883296      3.738098
  C      -9.917775      4.785877      3.543568
  C     -10.885738      4.520922      2.538083
  N     -10.876211      3.452941      1.748893
  C      -9.857169      2.559394      1.923442
  C      -9.768530      1.423876      1.078583
  C      -8.741465      0.525986      1.262988
  C      -7.766597      0.787468      2.259696
  N      -7.785644      1.851552      3.055206
  C      -8.822689      2.724826      2.905995
  H      -3.901499     -1.301920      5.274784
  H      -4.804637     -0.255408      4.148095
  H      -2.365604     -1.982537      3.407170
  H      -4.075942     -2.399014      3.093692
  H      -2.799221     -1.466523      1.100880
  H      -2.689681      0.097706      1.970384
  H      -5.934581     -1.807080     -0.432993
  H      -6.249514     -0.999805     -2.799438
  H      -4.123569      3.084688     -3.158464
  H      -2.875209      4.551421     -1.502798
  H      -2.568039      3.723231      0.846753
  H      -3.303301      6.288418      5.911565
  H      -4.397684      5.191347      6.793930
  H      -5.693512      6.317790      5.075936
  H      -5.511939      4.621452      4.599161
  H      -3.316307      5.551977      3.316405
  H      -4.239306      7.083402      3.342800
  H      -6.372586      7.658252      3.176085
  H      -8.621240      8.263515      2.298123
  H      -9.819759      5.100478     -0.841586
  H      -8.824386      2.885436     -1.542429
  H      -6.715255      2.103486     -0.432042
  H      -6.689327      0.999351      6.527674
  H      -6.550804      1.967767      5.024627
  H      -6.439113      3.989315      6.896874
  H      -7.459925      2.824739      7.786728
  H      -8.922486      4.275271      6.522618
  H      -8.974449      2.632660      5.814198
  H      -9.969264      5.700552      4.142353
  H     -11.696885      5.239447      2.365382
  H     -10.510973      1.305696      0.283417
  H      -8.649844     -0.362863      0.631030
  H      -6.913252      0.109405      2.383002
  N      -4.734943      2.694997      3.132957
  H      -4.819164      1.854593      2.540748
  H      -4.358648      3.411973      2.494192
  H      -5.705569      2.995267      3.323461
102
Coordinates from ORCA-job orca E -6430.558837099828
  N      -2.902995      0.429704      4.672384
  Mo     -3.562499      2.304619      4.951130
  N      -4.881155      1.991446      6.328972
  C      -4.413343      1.813862      7.702279
  C      -3.003477      1.234806      7.692503
  N      -2.170182      1.972836      6.701851
  C      -1.065337      1.131793      6.170545
  C      -1.603328      0.042901      5.210576
  C      -1.653702      3.261313      7.240504
  C      -1.708902      4.274888      6.094059
  N      -3.039157      4.201226      5.483631
  H      -0.855140     -0.093488      4.409433
  H      -1.690796     -0.929542      5.731310
  H      -0.390236      1.805997      5.624026
  H      -0.495884      0.679405      6.999334
  H      -1.494316      5.289620      6.465061
  H      -0.923829      4.028422      5.357636
  H      -2.311478      3.595900      8.053540
  H      -0.636472      3.127887      7.643325
  H      -5.083167      1.126117      8.247931
  H      -4.431179      2.778313      8.246240
  H      -3.047307      0.183837      7.378724
  H      -2.545320      1.279757      8.694721
  C      -3.782236     -0.691854      4.355745
  C      -3.325084     -1.566986      3.174208
  C      -3.246466     -0.817808      1.860692
  O      -4.609062     -0.502809      1.440450
  C      -4.754049     -0.087019      0.146749
  C      -5.502429     -0.841501     -0.733935
  C      -5.693079     -0.373087     -2.055719
  N      -5.202367      0.760354     -2.534733
  C      -4.473871      1.527370     -1.673189
  C      -3.969533      2.778183     -2.108730
  C      -3.285950      3.576441     -1.219186
  C      -3.094182      3.115692      0.103564
  N      -3.523374      1.946245      0.550080
  C      -4.214865      1.154807     -0.312297
  C      -3.896870      5.348602      5.786399
  C      -4.958241      5.578628      4.718075
  C      -4.318376      6.018758      3.403416
  O      -5.002546      5.476230      2.256829
  C      -6.239928      5.902114      1.942106
  C      -6.846456      7.056695      2.406571
  C      -8.119579      7.402169      1.898344
  N      -8.783337      6.729392      0.971444
  C      -8.206927      5.573179      0.526444
  C      -8.875071      4.789638     -0.445700
  C      -8.333521      3.580826     -0.819054
  C      -7.133011      3.148035     -0.209538
  N      -6.451328      3.855928      0.679961
  C      -6.961921      5.072207      1.020569
  C      -6.319696      1.943870      6.130009
  C      -7.088345      3.113743      6.789072
  C      -8.317380      3.504128      5.992394
  O      -7.920618      4.033033      4.697149
  C      -8.880187      3.847240      3.735336
  C      -9.892419      4.757819      3.528306
  C     -10.860934      4.491447      2.530166
  N     -10.865937      3.417474      1.756257
  C      -9.854261      2.520312      1.933092
  C      -9.775609      1.383920      1.091665
  C      -8.749907      0.483053      1.270341
  C      -7.773395      0.741704      2.260033
  N      -7.786960      1.805350      3.053235
  C      -8.818737      2.683100      2.909101
  H      -3.877252     -1.337609      5.251251
  H      -4.783022     -0.292864      4.131824
  H      -2.326136     -1.981457      3.382790
  H      -4.023075     -2.412687      3.066080
  H      -2.775715     -1.439247      1.082808
  H      -2.675491      0.116425      1.968097
  H      -5.936336     -1.787429     -0.407711
  H      -6.279107     -0.976105     -2.755885
  H      -4.160938      3.085749     -3.137993
  H      -2.904503      4.556905     -1.507261
  H      -2.579693      3.742064      0.840386
  H      -3.288686      6.268441      5.888527
  H      -4.399653      5.192114      6.761238
  H      -5.686295      6.325830      5.062355
  H      -5.517754      4.644904      4.556921
  H      -3.311107      5.592000      3.308190
  H      -4.237463      7.115962      3.334762
  H      -6.363476      7.705983      3.135553
  H      -8.601957      8.313373      2.266424
  H      -9.824677      5.150105     -0.843165
  H      -8.845033      2.927607     -1.528024
  H      -6.728700      2.159737     -0.443910
  H      -6.698275      0.989622      6.543282
  H      -6.541094      1.950463      5.046552
  H      -6.419127      3.982381      6.889766
  H      -7.435359      2.839410      7.797113
  H      -8.903529      4.272511      6.523032
  H      -8.965490      2.625089      5.835214
  H      -9.933280      5.679388      4.110268
  H     -11.662864      5.214027      2.355174
  H     -10.516439      1.272911      0.298235
  H      -8.660524     -0.402278      0.639662
  H      -6.923507      0.061579      2.377020
  N      -4.750732      2.641486      3.143925
  H      -4.817466      1.799665      2.556982
  H      -4.389680      3.356885      2.499209
  H      -5.724675      2.920457      3.325249
102
Coordinates from ORCA-job orca E -6430.563158870646
  N      -2.945568      0.410807      4.668205
  Mo     -3.593829      2.287767      4.990363
  N      -4.901364      1.994460      6.380286
  C      -4.427903      1.823454      7.749238
  C      -3.025119      1.232417      7.722340
  N      -2.198352      1.959687      6.718005
  C      -1.107216      1.108791      6.173358
  C      -1.652397      0.022284      5.220706
  C      -1.668175      3.250666      7.234787
  C      -1.713219      4.247252      6.077043
  N      -3.045568      4.197747      5.470774
  H      -0.898286     -0.124837      4.426548
  H      -1.745153     -0.948112      5.745076
  H      -0.431692      1.779827      5.624039
  H      -0.531366      0.657531      6.998303
  H      -1.473758      5.261766      6.433574
  H      -0.934346      3.978761      5.341875
  H      -2.318196      3.596321      8.049017
  H      -0.651440      3.108124      7.635303
  H      -5.098884      1.144596      8.304619
  H      -4.433652      2.790456      8.287795
  H      -3.077308      0.182137      7.408639
  H      -2.551164      1.275918      8.717105
  C      -3.806952     -0.709878      4.316623
  C      -3.328580     -1.559591      3.130027
  C      -3.239949     -0.794187      1.827540
  O      -4.602157     -0.485801      1.393971
  C      -4.729594     -0.063726      0.102272
  C      -5.465962     -0.816869     -0.791019
  C      -5.636001     -0.351037     -2.114622
  N      -5.137332      0.779788     -2.586614
  C      -4.425071      1.547774     -1.712307
  C      -3.919982      2.798938     -2.142169
  C      -3.264003      3.606922     -1.242520
  C      -3.100239      3.153508      0.086902
  N      -3.522684      1.980542      0.526975
  C      -4.188197      1.180469     -0.348125
  C      -3.869836      5.372392      5.759075
  C      -4.940467      5.616589      4.702576
  C      -4.305241      6.018164      3.374552
  O      -4.999998      5.458039      2.238901
  C      -6.239318      5.889158      1.924438
  C      -6.840833      7.050659      2.379617
  C      -8.113401      7.398098      1.874312
  N      -8.786932      6.718952      0.960779
  C      -8.216391      5.556078      0.526386
  C      -8.892111      4.763628     -0.433263
  C      -8.352585      3.551943     -0.802686
  C      -7.147906      3.125879     -0.200738
  N      -6.462319      3.841779      0.677324
  C      -6.969722      5.057567      1.014292
  C      -6.337829      1.962463      6.176029
  C      -7.088970      3.147380      6.822955
  C      -8.322300      3.526400      6.031198
  O      -7.918611      4.034359      4.727976
  C      -8.872038      3.840742      3.762174
  C      -9.882655      4.749209      3.539915
  C     -10.847313      4.471801      2.542441
  N     -10.853802      3.388478      1.784176
  C      -9.839028      2.496468      1.970478
  C      -9.758831      1.350110      1.143353
  C      -8.724349      0.458695      1.324688
  C      -7.747790      0.732757      2.309446
  N      -7.770244      1.800661      3.094315
  C      -8.806237      2.671249      2.944156
  H      -3.908327     -1.368315      5.202671
  H      -4.810727     -0.317473      4.091775
  H      -2.330034     -1.971557      3.344938
  H      -4.013051     -2.412888      3.003533
  H      -2.760286     -1.403977      1.046493
  H      -2.679313      0.144736      1.945752
  H      -5.902850     -1.763700     -0.473859
  H      -6.209635     -0.958158     -2.820962
  H      -4.092738      3.099787     -3.176051
  H      -2.887836      4.588794     -1.529341
  H      -2.621775      3.793917      0.834363
  H      -3.232034      6.273009      5.842031
  H      -4.365736      5.250474      6.743096
  H      -5.646584      6.383348      5.049469
  H      -5.529016      4.699248      4.565816
  H      -3.305449      5.573491      3.291563
  H      -4.206190      7.110282      3.273489
  H      -6.352937      7.705105      3.098719
  H      -8.586585      8.315272      2.238516
  H      -9.842593      5.122490     -0.828486
  H      -8.865554      2.895165     -1.505478
  H      -6.740241      2.140121     -0.437786
  H      -6.729807      1.013319      6.589287
  H      -6.554297      1.961478      5.095177
  H      -6.415070      4.013119      6.907762
  H      -7.426011      2.893815      7.839757
  H      -8.906933      4.304273      6.548504
  H      -8.972633      2.647602      5.886513
  H      -9.927027      5.676625      4.110331
  H     -11.649389      5.192889      2.363894
  H     -10.504460      1.226236      0.356832
  H      -8.628694     -0.431754      0.703406
  H      -6.894721      0.056570      2.429546
  N      -4.800121      2.624266      3.173976
  H      -4.861196      1.781006      2.589329
  H      -4.450531      3.336731      2.519810
  H      -5.777269      2.891924      3.352191
102
Coordinates from ORCA-job orca E -6430.566594246835
  N      -2.937731      0.399145      4.679527
  Mo     -3.595960      2.268291      5.027682
  N      -4.907374      1.983620      6.413307
  C      -4.441187      1.821171      7.785364
  C      -3.038268      1.231481      7.759872
  N      -2.214221      1.955353      6.750032
  C      -1.120216      1.105079      6.206917
  C      -1.654625      0.014369      5.258239
  C      -1.687156      3.253958      7.251907
  C      -1.715603      4.232651      6.080373
  N      -3.042089      4.190139      5.460753
  H      -0.886250     -0.144483      4.479266
  H      -1.755790     -0.951958      5.790072
  H      -0.443763      1.777602      5.660089
  H      -0.543693      0.659833      7.035282
  H      -1.466397      5.249157      6.425914
  H      -0.930786      3.949163      5.356586
  H      -2.343929      3.607944      8.057384
  H      -0.674369      3.113602      7.664533
  H      -5.112682      1.144692      8.343306
  H      -4.449460      2.790757      8.319247
  H      -3.087675      0.180614      7.447242
  H      -2.560412      1.278431      8.753018
  C      -3.778787     -0.725096      4.298496
  C      -3.285894     -1.547802      3.101536
  C      -3.215083     -0.759689      1.812622
  O      -4.587881     -0.457133      1.404413
  C      -4.738654     -0.023677      0.119184
  C      -5.504950     -0.764331     -0.760715
  C      -5.700556     -0.292831     -2.077817
  N      -5.197998      0.833411     -2.556522
  C      -4.458151      1.590196     -1.694811
  C      -3.946472      2.835247     -2.135144
  C      -3.264368      3.636615     -1.248725
  C      -3.084553      3.183273      0.079084
  N      -3.508265      2.013321      0.526831
  C      -4.196043      1.218090     -0.337069
  C      -3.853574      5.376963      5.727520
  C      -4.923855      5.619279      4.669212
  C      -4.286946      6.001156      3.336401
  O      -4.979998      5.430249      2.203714
  C      -6.217289      5.872846      1.893668
  C      -6.802741      7.040367      2.355022
  C      -8.074402      7.405082      1.861286
  N      -8.765477      6.733189      0.955369
  C      -8.212077      5.564478      0.514296
  C      -8.908120      4.780496     -0.438316
  C      -8.384093      3.565466     -0.820656
  C      -7.173779      3.128630     -0.239367
  N      -6.472078      3.835422      0.633752
  C      -6.964003      5.052948      0.986028
  C      -6.342609      1.957060      6.194692
  C      -7.091898      3.150940      6.825808
  C      -8.329887      3.517255      6.034467
  O      -7.923646      4.009805      4.725490
  C      -8.873546      3.813939      3.756766
  C      -9.876476      4.728541      3.521414
  C     -10.837386      4.451674      2.520724
  N     -10.849190      3.362114      1.771559
  C      -9.840565      2.464933      1.968438
  C      -9.764741      1.311892      1.150185
  C      -8.732931      0.417688      1.338137
  C      -7.758892      0.693360      2.324375
  N      -7.781752      1.764669      3.104486
  C      -8.811863      2.640047      2.945711
  H      -3.880638     -1.398685      5.173712
  H      -4.787840     -0.343121      4.075716
  H      -2.282116     -1.952407      3.307851
  H      -3.956443     -2.410400      2.962732
  H      -2.741614     -1.352271      1.014529
  H      -2.664393      0.184106      1.937200
  H      -5.945075     -1.708141     -0.437721
  H      -6.297750     -0.892575     -2.771710
  H      -4.133832      3.135666     -3.166932
  H      -2.880902      4.611937     -1.548869
  H      -2.591410      3.822626      0.818339
  H      -3.202678      6.269163      5.798843
  H      -4.352533      5.280672      6.713613
  H      -5.623316      6.393482      5.014205
  H      -5.523743      4.706359      4.543760
  H      -3.287657      5.551814      3.268232
  H      -4.184681      7.090839      3.214691
  H      -6.301446      7.688976      3.071214
  H      -8.531369      8.328372      2.232101
  H      -9.860112      5.150199     -0.820334
  H      -8.911276      2.916123     -1.520331
  H      -6.775342      2.142494     -0.491828
  H      -6.745394      1.011156      6.605928
  H      -6.547058      1.948230      5.111695
  H      -6.419425      4.019116      6.896064
  H      -7.420707      2.914058      7.849910
  H      -8.915549      4.301852      6.540344
  H      -8.980025      2.636882      5.899177
  H      -9.917824      5.660783      4.084596
  H     -11.633229      5.178839      2.335842
  H     -10.510652      1.186356      0.363987
  H      -8.637336     -0.476920      0.722306
  H      -6.908360      0.013814      2.449433
  N      -4.786176      2.593958      3.182772
  H      -4.822954      1.747857      2.599547
  H      -4.439966      3.309422      2.529162
  H      -5.773431      2.840319      3.342142
102
Coordinates from ORCA-job orca E -6430.569635833546
  N      -2.965361      0.396660      4.684114
  Mo     -3.619568      2.257050      5.060594
  N      -4.924535      1.989256      6.453186
  C      -4.455260      1.831300      7.825606
  C      -3.056556      1.231521      7.792333
  N      -2.238013      1.943688      6.769682
  C      -1.151913      1.084008      6.223785
  C      -1.695569     -0.004722      5.281878
  C      -1.698202      3.244349      7.254320
  C      -1.707885      4.205273      6.067939
  N      -3.032312      4.177763      5.442592
  H      -0.920680     -0.186308      4.514071
  H      -1.818068     -0.964859      5.821084
  H      -0.471013      1.749700      5.674341
  H      -0.575405      0.637818      7.051825
  H      -1.439257      5.221195      6.400925
  H      -0.924961      3.899803      5.350868
  H      -2.354291      3.615383      8.052735
  H      -0.688688      3.098877      7.673770
  H      -5.127368      1.162361      8.391470
  H      -4.454229      2.803527      8.354326
  H      -3.116882      0.180078      7.483482
  H      -2.567174      1.278756      8.779767
  C      -3.801279     -0.718868      4.269015
  C      -3.290681     -1.521500      3.065570
  C      -3.211125     -0.714685      1.788513
  O      -4.583208     -0.410487      1.376325
  C      -4.726474      0.027412      0.090240
  C      -5.497333     -0.706361     -0.792058
  C      -5.680193     -0.236690     -2.111036
  N      -5.159923      0.882535     -2.588864
  C      -4.418063      1.633421     -1.724314
  C      -3.889010      2.871372     -2.165207
  C      -3.209141      3.670766     -1.274196
  C      -3.050967      3.222852      0.057845
  N      -3.487078      2.057212      0.504642
  C      -4.170597      1.263047     -0.363503
  C      -3.820303      5.382737      5.690896
  C      -4.894525      5.627703      4.637290
  C      -4.265352      5.980109      3.292711
  O      -4.967790      5.393642      2.174464
  C      -6.206536      5.839834      1.872194
  C      -6.782423      7.011638      2.335014
  C      -8.057690      7.380504      1.855081
  N      -8.762556      6.705720      0.961933
  C      -8.219438      5.534050      0.517921
  C      -8.931636      4.750835     -0.423096
  C      -8.415515      3.535111     -0.813380
  C      -7.196420      3.097895     -0.251589
  N      -6.480725      3.803527      0.611145
  C      -6.965326      5.021096      0.973752
  C      -6.360888      1.975475      6.237746
  C      -7.097627      3.184336      6.851763
  C      -8.339738      3.539948      6.061068
  O      -7.935222      4.009885      4.743692
  C      -8.883535      3.798556      3.776620
  C      -9.891010      4.707305      3.533145
  C     -10.851948      4.417236      2.537327
  N     -10.860370      3.319587      1.799497
  C      -9.846677      2.429760      2.001168
  C      -9.768650      1.269650      1.193639
  C      -8.728612      0.384655      1.382679
  C      -7.752477      0.674699      2.361516
  N      -7.780295      1.750959      3.135324
  C      -8.816273      2.619415      2.974679
  H      -3.917799     -1.408798      5.129564
  H      -4.808112     -0.334695      4.038878
  H      -2.289018     -1.928427      3.276972
  H      -3.955752     -2.384837      2.906323
  H      -2.733623     -1.296475      0.985077
  H      -2.663380      0.228460      1.927003
  H      -5.948250     -1.645210     -0.469420
  H      -6.280022     -0.831254     -2.806922
  H      -4.061733      3.167801     -3.200593
  H      -2.812548      4.639391     -1.579068
  H      -2.568099      3.863050      0.802835
  H      -3.151236      6.262880      5.741548
  H      -4.315727      5.317980      6.681538
  H      -5.578016      6.416430      4.981099
  H      -5.510504      4.722909      4.531052
  H      -3.268653      5.523079      3.231649
  H      -4.157857      7.066058      3.145687
  H      -6.271280      7.661749      3.042896
  H      -8.505810      8.307585      2.226768
  H      -9.887788      5.123072     -0.791645
  H      -8.952852      2.887426     -1.506838
  H      -6.801576      2.113333     -0.514005
  H      -6.776593      1.038382      6.655926
  H      -6.563957      1.956047      5.154323
  H      -6.422511      4.052261      6.896414
  H      -7.413975      2.970504      7.884858
  H      -8.921314      4.335511      6.554225
  H      -8.992494      2.659242      5.941787
  H      -9.936179      5.644332      4.088223
  H     -11.651518      5.138935      2.347735
  H     -10.519965      1.130843      0.415146
  H      -8.629629     -0.514312      0.773909
  H      -6.896440      0.002930      2.488479
  N      -4.799064      2.583368      3.199611
  H      -4.823933      1.734639      2.619034
  H      -4.449277      3.299235      2.548145
  H      -5.791057      2.819841      3.349303
102
Coordinates from ORCA-job orca E -6430.572428393531
  N      -2.966886      0.390824      4.698333
  Mo     -3.631768      2.236932      5.095789
  N      -4.934617      1.982853      6.490333
  C      -4.465512      1.833806      7.865749
  C      -3.067261      1.231051      7.833262
  N      -2.252936      1.933271      6.799154
  C      -1.166941      1.068257      6.256902
  C      -1.711609     -0.022677      5.320595
  C      -1.709015      3.239932      7.266627
  C      -1.700149      4.179886      6.062999
  N      -3.020202      4.156769      5.425433
  H      -0.927262     -0.226187      4.567814
  H      -1.856803     -0.975277      5.868277
  H      -0.483100      1.729431      5.705632
  H      -0.591802      0.624887      7.087579
  H      -1.421633      5.197642      6.382609
  H      -0.914299      3.856148      5.357160
  H      -2.370948      3.627795      8.052352
  H      -0.704307      3.096445      7.698979
  H      -5.137649      1.170286      8.437738
  H      -4.462082      2.810070      8.386872
  H      -3.132766      0.177531      7.531529
  H      -2.571361      1.283652      8.817135
  C      -3.794206     -0.719819      4.250795
  C      -3.267047     -1.496331      3.036534
  C      -3.192037     -0.665592      1.774421
  O      -4.568441     -0.359155      1.375450
  C      -4.725525      0.087239      0.092943
  C      -5.518276     -0.635413     -0.778839
  C      -5.714065     -0.161473     -2.094837
  N      -5.184971      0.952213     -2.578221
  C      -4.422986      1.692720     -1.722472
  C      -3.881286      2.923130     -2.170097
  C      -3.181442      3.713961     -1.286387
  C      -3.018744      3.266690      0.045780
  N      -3.463694      2.105834      0.497398
  C      -4.163090      1.317971     -0.364174
  C      -3.794259      5.374930      5.654817
  C      -4.874571      5.618378      4.607535
  C      -4.254730      5.944144      3.251930
  O      -4.968003      5.345795      2.147037
  C      -6.204302      5.800106      1.845994
  C      -6.767410      6.979829      2.305052
  C      -8.041763      7.358949      1.829378
  N      -8.758143      6.684123      0.944909
  C      -8.227478      5.506016      0.502765
  C      -8.952217      4.727313     -0.432213
  C      -8.446705      3.508995     -0.827295
  C      -7.224494      3.064693     -0.275920
  N      -6.497716      3.765106      0.582274
  C      -6.972813      4.985134      0.951681
  C      -6.371452      1.979808      6.272394
  C      -7.097192      3.205247      6.863127
  C      -8.338710      3.552757      6.067773
  O      -7.931460      3.999126      4.742903
  C      -8.881202      3.783615      3.778836
  C      -9.887570      4.693995      3.534893
  C     -10.852875      4.403470      2.543095
  N     -10.867066      3.302073      1.809922
  C      -9.854393      2.410985      2.010744
  C      -9.785088      1.246323      1.208958
  C      -8.744851      0.361171      1.393882
  C      -7.761589      0.653268      2.365274
  N      -7.782741      1.731448      3.137220
  C      -8.818011      2.602274      2.979893
  H      -3.919449     -1.428315      5.094675
  H      -4.800704     -0.337242      4.016523
  H      -2.263513     -1.900061      3.245895
  H      -3.924162     -2.362492      2.857981
  H      -2.716455     -1.231369      0.958474
  H      -2.647299      0.276870      1.927462
  H      -5.975018     -1.569863     -0.450464
  H      -6.331216     -0.746739     -2.783679
  H      -4.058870      3.219946     -3.204853
  H      -2.772141      4.674579     -1.601642
  H      -2.524612      3.901870      0.787985
  H      -3.113308      6.247419      5.683044
  H      -4.283069      5.338673      6.650347
  H      -5.543230      6.420397      4.950187
  H      -5.503498      4.720602      4.519820
  H      -3.260717      5.480332      3.195390
  H      -4.141776      7.026841      3.084869
  H      -6.247554      7.629719      3.007061
  H      -8.479430      8.292661      2.197556
  H      -9.908156      5.107164     -0.794501
  H      -8.992220      2.866380     -1.519604
  H      -6.836237      2.079026     -0.545518
  H      -6.800897      1.052984      6.699068
  H      -6.568859      1.947922      5.187564
  H      -6.417461      4.071277      6.881695
  H      -7.405985      3.017321      7.903632
  H      -8.914379      4.360903      6.547473
  H      -8.996696      2.673821      5.963322
  H      -9.929332      5.632266      4.088877
  H     -11.652119      5.126026      2.353803
  H     -10.544828      1.102975      0.439122
  H      -8.652145     -0.540898      0.788090
  H      -6.905549     -0.018463      2.490001
  N      -4.787895      2.552339      3.211270
  H      -4.791951      1.699230      2.635530
  H      -4.432772      3.269432      2.563979
  H      -5.786339      2.773729      3.344929
102
Coordinates from ORCA-job orca E -6430.574958235015
  N      -2.981640      0.387255      4.708233
  Mo     -3.653561      2.219721      5.122732
  N      -4.950801      1.984778      6.523977
  C      -4.477919      1.844276      7.900392
  C      -3.082274      1.233773      7.866919
  N      -2.271172      1.920771      6.819690
  C      -1.189936      1.045446      6.281861
  C      -1.743188     -0.045528      5.352878
  C      -1.717656      3.230197      7.269104
  C      -1.689248      4.148484      6.048743
  N      -3.005566      4.131595      5.400853
  H      -0.953189     -0.275417      4.613925
  H      -1.916997     -0.988090      5.909747
  H      -0.501868      1.697930      5.725990
  H      -0.617520      0.602746      7.114608
  H      -1.399880      5.167491      6.354121
  H      -0.903315      3.804805      5.352802
  H      -2.383577      3.638622      8.040935
  H      -0.718388      3.085768      7.713645
  H      -5.150941      1.188660      8.480103
  H      -4.467994      2.824998      8.412551
  H      -3.157780      0.177951      7.575036
  H      -2.578891      1.291829      8.846415
  C      -3.805888     -0.713788      4.229208
  C      -3.260514     -1.467357      3.007733
  C      -3.180052     -0.615373      1.759928
  O      -4.555955     -0.305574      1.361521
  C      -4.714972      0.144819      0.079978
  C      -5.516894     -0.571852     -0.788015
  C      -5.710946     -0.098029     -2.104460
  N      -5.171914      1.010147     -2.590346
  C      -4.402295      1.745131     -1.737158
  C      -3.847975      2.968683     -2.187814
  C      -3.139878      3.754304     -1.305990
  C      -2.983181      3.310061      0.028075
  N      -3.438736      2.154241      0.482267
  C      -4.143677      1.370262     -0.377966
  C      -3.762095      5.364289      5.614555
  C      -4.848429      5.610691      4.574936
  C      -4.237938      5.914360      3.209833
  O      -4.964681      5.308239      2.119376
  C      -6.200371      5.767055      1.823905
  C      -6.755797      6.949452      2.285337
  C      -8.033214      7.331785      1.819890
  N      -8.759769      6.656134      0.944358
  C      -8.235715      5.476514      0.498486
  C      -8.971604      4.699077     -0.428649
  C      -8.471196      3.481247     -0.830710
  C      -7.241840      3.036658     -0.294457
  N      -6.505244      3.735137      0.556602
  C      -6.976789      4.954074      0.934687
  C      -6.388712      1.995495      6.310193
  C      -7.099431      3.238937      6.879731
  C      -8.343290      3.577396      6.084129
  O      -7.936684      3.994881      4.750043
  C      -8.889850      3.769158      3.792120
  C      -9.901256      4.674180      3.548066
  C     -10.869998      4.375271      2.562242
  N     -10.882350      3.269798      1.834579
  C      -9.865175      2.384247      2.035352
  C      -9.795797      1.215443      1.239642
  C      -8.750336      0.336473      1.422313
  C      -7.762710      0.637474      2.386531
  N      -7.784352      1.718198      3.155058
  C      -8.824231      2.584360      2.999137
  H      -3.944456     -1.438828      5.056307
  H      -4.808937     -0.327568      3.987055
  H      -2.257262     -1.869268      3.221069
  H      -3.911616     -2.333584      2.808052
  H      -2.700547     -1.167086      0.936872
  H      -2.636926      0.325028      1.930329
  H      -5.979860     -1.502100     -0.456537
  H      -6.335050     -0.677108     -2.792120
  H      -4.021035      3.264078     -3.223732
  H      -2.717969      4.707536     -1.627612
  H      -2.484585      3.941056      0.770583
  H      -3.067865      6.226957      5.619824
  H      -4.240979      5.354606      6.615505
  H      -5.500309      6.426447      4.917507
  H      -5.491297      4.721761      4.501626
  H      -3.247219      5.443516      3.152361
  H      -4.119495      6.994314      3.028765
  H      -6.228963      7.599040      2.982417
  H      -8.465553      8.267592      2.188880
  H      -9.931050      5.080606     -0.779832
  H      -9.024283      2.840280     -1.518547
  H      -6.856391      2.051718     -0.570676
  H      -6.830408      1.080716      6.749643
  H      -6.585782      1.950587      5.225361
  H      -6.413571      4.100515      6.866916
  H      -7.397199      3.079579      7.927894
  H      -8.910999      4.398729      6.550806
  H      -9.006809      2.700524      5.999192
  H      -9.944146      5.614262      4.098949
  H     -11.673247      5.092866      2.371313
  H     -10.560938      1.062998      0.476945
  H      -8.657824     -0.567922      0.819943
  H      -6.901788     -0.027953      2.509796
  N      -4.789079      2.524457      3.221474
  H      -4.778918      1.666609      2.652660
  H      -4.426541      3.240262      2.577470
  H      -5.791436      2.736653      3.343412
102
Coordinates from ORCA-job orca E -6430.577267420352
  N      -2.984475      0.381612      4.720081
  Mo     -3.673371      2.198896      5.151057
  N      -4.963680      1.979920      6.559907
  C      -4.486115      1.849317      7.936479
  C      -3.091422      1.235438      7.902075
  N      -2.284356      1.909247      6.842475
  C      -1.204965      1.027375      6.310008
  C      -1.762579     -0.065068      5.388485
  C      -1.726467      3.222782      7.273972
  C      -1.681374      4.119225      6.038250
  N      -2.993699      4.103661      5.379349
  H      -0.966542     -0.318496      4.664142
  H      -1.962524     -0.996935      5.954805
  H      -0.515400      1.673732      5.749237
  H      -0.634034      0.587497      7.145101
  H      -1.386779      5.140710      6.329662
  H      -0.893962      3.759680      5.352393
  H      -2.398872      3.649425      8.030255
  H      -0.733048      3.080771      7.732295
  H      -5.158468      1.199436      8.523338
  H      -4.472814      2.834299      8.439951
  H      -3.172832      0.177019      7.620616
  H      -2.581802      1.301049      8.877723
  C      -3.798635     -0.714874      4.210962
  C      -3.230698     -1.443534      2.984494
  C      -3.152935     -0.572658      1.750203
  O      -4.531368     -0.270742      1.354741
  C      -4.699246      0.180640      0.074864
  C      -5.504148     -0.538734     -0.787917
  C      -5.704859     -0.066548     -2.104204
  N      -5.170566      1.042498     -2.593459
  C      -4.399137      1.780199     -1.744109
  C      -3.846891      3.003122     -2.198578
  C      -3.134273      3.789517     -1.321434
  C      -2.971609      3.347939      0.013083
  N      -3.425652      2.193027      0.471417
  C      -4.133371      1.407494     -0.385259
  C      -3.737597      5.347341      5.581884
  C      -4.831558      5.596547      4.551911
  C      -4.231492      5.885502      3.178663
  O      -4.971981      5.276042      2.100557
  C      -6.204801      5.743000      1.808869
  C      -6.749956      6.930548      2.269344
  C      -8.027483      7.319653      1.808805
  N      -8.763827      6.645323      0.940366
  C      -8.248206      5.461577      0.494368
  C      -8.992064      4.686993     -0.428916
  C      -8.497201      3.468680     -0.836073
  C      -7.265305      3.020044     -0.307908
  N      -6.522145      3.714976      0.539940
  C      -6.989100      4.933882      0.923190
  C      -6.401964      2.004544      6.347119
  C      -7.095582      3.269032      6.888978
  C      -8.338386      3.602324      6.088931
  O      -7.928855      3.987213      4.745381
  C      -8.887580      3.760541      3.793197
  C      -9.901944      4.664249      3.557189
  C     -10.877276      4.366064      2.577482
  N     -10.893925      3.261017      1.849125
  C      -9.874551      2.376402      2.042304
  C      -9.813141      1.205832      1.248119
  C      -8.765715      0.327840      1.420689
  C      -7.768362      0.630193      2.374864
  N      -7.783441      1.710445      3.144185
  C      -8.825200      2.576579      2.997723
  H      -3.945163     -1.454956      5.022741
  H      -4.800500     -0.331077      3.961473
  H      -2.224044     -1.834390      3.201959
  H      -3.868557     -2.315315      2.766369
  H      -2.666466     -1.107324      0.920160
  H      -2.618495      0.369951      1.935779
  H      -5.962378     -1.470037     -0.452836
  H      -6.330923     -0.646729     -2.789221
  H      -4.023004      3.296712     -3.234581
  H      -2.710559      4.740285     -1.648369
  H      -2.467460      3.978412      0.752126
  H      -3.033553      6.202074      5.566263
  H      -4.203609      5.358033      6.588867
  H      -5.468337      6.423197      4.896862
  H      -5.486557      4.715844      4.489581
  H      -3.243860      5.409004      3.115166
  H      -4.108757      6.963803      2.989686
  H      -6.215676      7.578894      2.961897
  H      -8.452132      8.259694      2.176166
  H      -9.951719      5.073017     -0.774926
  H      -9.054567      2.832033     -1.524464
  H      -6.882338      2.035636     -0.589812
  H      -6.856943      1.103942      6.801872
  H      -6.596854      1.943645      5.262751
  H      -6.399479      4.121679      6.845506
  H      -7.386895      3.142369      7.943259
  H      -8.895374      4.439429      6.540280
  H      -9.011727      2.731236      6.023496
  H      -9.942662      5.602396      4.111644
  H     -11.682964      5.082433      2.392123
  H     -10.588239      1.049670      0.496156
  H      -8.679910     -0.577363      0.818433
  H      -6.905422     -0.034181      2.490172
  N      -4.795234      2.486458      3.236888
  H      -4.769417      1.625108      2.673678
  H      -4.432085      3.203128      2.594858
  H      -5.801897      2.684604      3.350624
102
Coordinates from ORCA-job orca E -6430.579389102403
  N      -2.988749      0.376208      4.727810
  Mo     -3.695271      2.181026      5.170661
  N      -4.979782      1.979379      6.587738
  C      -4.498202      1.856351      7.963705
  C      -3.105580      1.237549      7.928974
  N      -2.299815      1.897531      6.859660
  C      -1.223014      1.008262      6.334810
  C      -1.785516     -0.084874      5.420918
  C      -1.737190      3.213336      7.275311
  C      -1.672583      4.088761      6.026396
  N      -2.979838      4.075687      5.355398
  H      -0.984329     -0.362885      4.711804
  H      -2.013199     -1.004453      5.996976
  H      -0.531053      1.647673      5.769495
  H      -0.655194      0.570610      7.173017
  H      -1.373285      5.112237      6.305084
  H      -0.883619      3.713834      5.351100
  H      -2.416847      3.658427      8.014391
  H      -0.751027      3.072252      7.749330
  H      -5.171000      1.212119      8.556285
  H      -4.480849      2.844591      8.460285
  H      -3.193030      0.176923      7.657466
  H      -2.591776      1.309864      8.901864
  C      -3.792731     -0.715972      4.191155
  C      -3.201898     -1.423042      2.962916
  C      -3.125925     -0.536275      1.740205
  O      -4.505780     -0.242716      1.344909
  C      -4.679861      0.208415      0.066024
  C      -5.482940     -0.516026     -0.794271
  C      -5.688036     -0.045963     -2.110569
  N      -5.160646      1.065396     -2.601454
  C      -4.391371      1.807854     -1.754045
  C      -3.843958      3.031729     -2.211218
  C      -3.129915      3.820349     -1.337664
  C      -2.961713      3.381231     -0.003043
  N      -3.413052      2.226585      0.459100
  C      -4.120628      1.438099     -0.395345
  C      -3.711509      5.329690      5.549321
  C      -4.811174      5.583649      4.527069
  C      -4.219557      5.861163      3.147177
  O      -4.973374      5.250970      2.079646
  C      -6.204841      5.724329      1.794584
  C      -6.744304      6.911752      2.262197
  C      -8.024301      7.304235      1.811306
  N      -8.768893      6.633567      0.947121
  C      -8.257255      5.450848      0.492840
  C      -9.008211      4.679613     -0.427772
  C      -8.515351      3.463972     -0.845443
  C      -7.277875      3.014677     -0.331032
  N      -6.529200      3.705831      0.514762
  C      -6.995428      4.921098      0.909117
  C      -6.418560      2.020785      6.378017
  C      -7.092234      3.305199      6.897680
  C      -8.337648      3.634618      6.100037
  O      -7.929299      3.982941      4.746374
  C      -8.895380      3.752776      3.802784
  C      -9.916746      4.650521      3.574789
  C     -10.896340      4.348176      2.600756
  N     -10.910701      3.244114      1.870826
  C      -9.885621      2.364770      2.057867
  C      -9.823396      1.194090      1.263571
  C      -8.770715      0.321163      1.429230
  C      -7.768866      0.628405      2.377308
  N      -7.785127      1.707984      3.147204
  C      -8.831615      2.569291      3.006720
  H      -3.947947     -1.468118      4.989807
  H      -4.792711     -0.333726      3.932783
  H      -2.192054     -1.801629      3.186610
  H      -3.825572     -2.300734      2.728241
  H      -2.631245     -1.054983      0.905020
  H      -2.600681      0.408712      1.939733
  H      -5.934937     -1.449630     -0.457387
  H      -6.312165     -0.629487     -2.794535
  H      -4.022763      3.323692     -3.247221
  H      -2.706544      4.770419     -1.666883
  H      -2.452567      4.012548      0.731571
  H      -2.997930      6.175963      5.516132
  H      -4.165452      5.357156      6.561439
  H      -5.433890      6.420272      4.873806
  H      -5.478120      4.711963      4.472171
  H      -3.235147      5.379230      3.076116
  H      -4.092496      6.938164      2.953498
  H      -6.204548      7.556310      2.953899
  H      -8.444814      8.244042      2.184061
  H      -9.971042      5.066645     -0.763651
  H      -9.077449      2.830680     -1.533011
  H      -6.895033      2.032822     -0.621633
  H      -6.885868      1.134495      6.847841
  H      -6.614557      1.946311      5.294860
  H      -6.385325      4.146823      6.823502
  H      -7.373477      3.209693      7.957746
  H      -8.881961      4.487339      6.537282
  H      -9.021251      2.770199      6.057289
  H      -9.959236      5.587277      4.131333
  H     -11.706778      5.060232      2.419716
  H     -10.603484      1.032933      0.517855
  H      -8.684913     -0.583687      0.826516
  H      -6.901384     -0.031313      2.486769
  N      -4.807307      2.452508      3.247852
  H      -4.767618      1.590277      2.687035
  H      -4.446163      3.171780      2.608292
  H      -5.818209      2.636155      3.355691
102
Coordinates from ORCA-job orca E -6430.581337154851
  N      -2.981425      0.367597      4.739018
  Mo     -3.711245      2.160810      5.191047
  N      -4.992916      1.976119      6.614529
  C      -4.510155      1.861869      7.990452
  C      -3.119190      1.239537      7.958261
  N      -2.312531      1.886061      6.881482
  C      -1.236012      0.990553      6.367453
  C      -1.799101     -0.104500      5.460459
  C      -1.748521      3.205133      7.281729
  C      -1.662252      4.058817      6.020332
  N      -2.962749      4.045964      5.334925
  H      -0.991215     -0.406392      4.769180
  H      -2.054271     -1.011009      6.045958
  H      -0.541143      1.623888      5.799266
  H      -0.672654      0.556668      7.210545
  H      -1.360360      5.084668      6.286685
  H      -0.869834      3.669726      5.357686
  H      -2.437803      3.667621      8.001141
  H      -0.771107      3.066780      7.774525
  H      -5.183921      1.222896      8.587749
  H      -4.490691      2.853265      8.480409
  H      -3.209828      0.176569      7.697001
  H      -2.603847      1.319832      8.929749
  C      -3.770776     -0.721998      4.173426
  C      -3.157445     -1.403455      2.942262
  C      -3.091410     -0.499185      1.731830
  O      -4.475043     -0.219495      1.340000
  C      -4.659164      0.230983      0.062614
  C      -5.459320     -0.500681     -0.794374
  C      -5.673559     -0.032750     -2.109800
  N      -5.158162      1.082948     -2.602779
  C      -4.391792      1.832219     -1.758370
  C      -3.854832      3.059102     -2.219330
  C      -3.139516      3.851761     -1.350944
  C      -2.960356      3.414472     -0.017167
  N      -3.404461      2.258888      0.449916
  C      -4.112305      1.465967     -0.400730
  C      -3.686885      5.307131      5.521561
  C      -4.792941      5.562712      4.506818
  C      -4.212124      5.832577      3.120360
  O      -4.978479      5.221331      2.062347
  C      -6.208169      5.702572      1.783410
  C      -6.739084      6.892349      2.255083
  C      -8.020146      7.290724      1.812720
  N      -8.774786      6.623982      0.954403
  C      -8.270626      5.439759      0.494904
  C      -9.029971      4.672867     -0.422659
  C      -8.542100      3.458251     -0.849413
  C      -7.301691      3.004825     -0.346383
  N      -6.546150      3.691545      0.496828
  C      -7.007732      4.905321      0.900036
  C      -6.431517      2.035811      6.405011
  C      -7.082115      3.343079      6.895602
  C      -8.327971      3.672957      6.097900
  O      -7.921724      3.979385      4.733175
  C      -8.897826      3.750603      3.799686
  C      -9.927122      4.643246      3.587739
  C     -10.915295      4.340369      2.622768
  N     -10.932446      3.239468      1.888388
  C      -9.901506      2.364061      2.061400
  C      -9.846077      1.193312      1.266423
  C      -8.788659      0.323498      1.417744
  C      -7.775741      0.633769      2.353025
  N      -7.786761      1.712347      3.124133
  C      -8.837308      2.570579      2.997602
  H      -3.931858     -1.486907      4.958436
  H      -4.770142     -0.343785      3.907558
  H      -2.142335     -1.765516      3.169009
  H      -3.762665     -2.289674      2.692070
  H      -2.588555     -0.998261      0.889703
  H      -2.579825      0.450443      1.944719
  H      -5.901132     -1.438498     -0.455849
  H      -6.294982     -0.622190     -2.791193
  H      -4.040656      3.349420     -3.254553
  H      -2.721032      4.803390     -1.681673
  H      -2.445563      4.048863      0.710537
  H      -2.966874      6.147132      5.473639
  H      -4.129792      5.347745      6.538029
  H      -5.404889      6.406274      4.856006
  H      -5.469023      4.697887      4.458958
  H      -3.229895      5.347852      3.040425
  H      -4.083820      6.908736      2.922684
  H      -6.191891      7.533524      2.943940
  H      -8.433286      8.232452      2.188925
  H      -9.994071      5.063475     -0.750642
  H      -9.108997      2.830258     -1.537762
  H      -6.920630      2.024904     -0.645515
  H      -6.913121      1.167129      6.892822
  H      -6.627731      1.943164      5.324056
  H      -6.361203      4.169563      6.791901
  H      -7.355746      3.282277      7.960171
  H      -8.855550      4.544424      6.518137
  H      -9.026302      2.819476      6.080090
  H      -9.969695      5.576379      4.150240
  H     -11.731076      5.049226      2.453698
  H     -10.637150      1.028203      0.533246
  H      -8.708350     -0.581334      0.814370
  H      -6.905194     -0.023963      2.450953
  N      -4.815841      2.413072      3.260446
  H      -4.760392      1.551335      2.700076
  H      -4.460617      3.136614      2.622559
  H      -5.831613      2.578868      3.362412
102
Coordinates from ORCA-job orca E -6430.583107880954
  N      -2.975590      0.358032      4.749540
  Mo     -3.726656      2.142841      5.205573
  N      -5.007747      1.977234      6.634921
  C      -4.525171      1.870502      8.011157
  C      -3.136891      1.242645      7.983177
  N      -2.327257      1.874740      6.900616
  C      -1.251703      0.971405      6.399551
  C      -1.816485     -0.125582      5.499918
  C      -1.760643      3.195993      7.286817
  C      -1.650437      4.027795      6.013733
  N      -2.943395      4.016412      5.313744
  H      -1.002779     -0.453413      4.827597
  H      -2.100861     -1.017451      6.094698
  H      -0.552190      1.597049      5.828869
  H      -0.694401      0.541239      7.248565
  H      -1.344059      5.055288      6.268094
  H      -0.854995      3.623069      5.364712
  H      -2.458866      3.676244      7.985902
  H      -0.792773      3.059463      7.798964
  H      -5.201062      1.237531      8.612598
  H      -4.502602      2.864601      8.495458
  H      -3.231444      0.177513      7.732220
  H      -2.621285      1.330315      8.954006
  C      -3.751139     -0.728123      4.156498
  C      -3.115585     -1.383173      2.922378
  C      -3.059738     -0.461290      1.724044
  O      -4.446697     -0.196511      1.333442
  C      -4.639613      0.253269      0.056908
  C      -5.435683     -0.485771     -0.797599
  C      -5.659310     -0.019647     -2.111928
  N      -5.157034      1.101428     -2.605937
  C      -4.394367      1.857560     -1.764036
  C      -3.869791      3.088687     -2.227945
  C      -3.153824      3.885337     -1.363810
  C      -2.962787      3.448403     -0.031656
  N      -3.398237      2.291052      0.439273
  C      -4.105611      1.493598     -0.407946
  C      -3.661340      5.283334      5.493953
  C      -4.772222      5.539677      4.484837
  C      -4.200651      5.801776      3.092674
  O      -4.978769      5.190520      2.043066
  C      -6.207126      5.679574      1.771325
  C      -6.731556      6.868683      2.252160
  C      -8.014030      7.273243      1.819957
  N      -8.776901      6.613159      0.963868
  C      -8.278515      5.430619      0.493573
  C      -9.045884      4.670674     -0.423181
  C      -8.562480      3.458592     -0.862615
  C      -7.318099      3.001076     -0.373841
  N      -6.556124      3.681015      0.469128
  C      -7.013852      4.891374      0.886047
  C      -6.446366      2.057531      6.428549
  C      -7.071541      3.386140      6.894085
  C      -8.320152      3.716390      6.101166
  O      -7.918676      3.974736      4.725632
  C      -8.904483      3.745096      3.803676
  C      -9.943360      4.630072      3.605416
  C     -10.936990      4.323384      2.647524
  N     -10.952007      3.225524      1.908511
  C      -9.914183      2.356151      2.070922
  C      -9.859140      1.186394      1.274508
  C      -8.796307      0.321483      1.416890
  C      -7.777816      0.636336      2.344378
  N      -7.788440      1.714401      3.115909
  C      -8.843769      2.567603      2.998276
  H      -3.917880     -1.505671      4.927557
  H      -4.749703     -0.353439      3.882841
  H      -2.095231     -1.728032      3.152081
  H      -3.701267     -2.277858      2.656409
  H      -2.547627     -0.940135      0.875879
  H      -2.563292      0.493160      1.950937
  H      -5.866897     -1.428235     -0.458213
  H      -6.277461     -0.615324     -2.790950
  H      -4.063933      3.378145     -3.261890
  H      -2.742084      4.839913     -1.694438
  H      -2.442362      4.085963      0.689138
  H      -2.935759      6.117644      5.433481
  H      -4.095811      5.335780      6.513495
  H      -5.375236      6.389356      4.835076
  H      -5.456339      4.680912      4.443345
  H      -3.220916      5.313242      3.005323
  H      -4.070267      6.876760      2.890324
  H      -6.178467      7.503924      2.941794
  H      -8.421375      8.214327      2.204198
  H     -10.012249      5.064308     -0.740730
  H      -9.135370      2.836218     -1.551177
  H      -6.938913      2.023683     -0.683615
  H      -6.941425      1.207063      6.934483
  H      -6.646488      1.947746      5.350154
  H      -6.337811      4.196746      6.760507
  H      -7.333650      3.358457      7.962932
  H      -8.829282      4.607284      6.502838
  H      -9.032930      2.874783      6.112279
  H      -9.989045      5.560671      4.171828
  H     -11.758728      5.027572      2.487718
  H     -10.655905      1.017402      0.548423
  H      -8.716459     -0.582983      0.812918
  H      -6.903715     -0.017541      2.434962
  N      -4.827258      2.377410      3.270484
  H      -4.757459      1.517073      2.708916
  H      -4.479602      3.106013      2.634047
  H      -5.847676      2.526460      3.367514
102
Coordinates from ORCA-job orca E -6430.584694249008
  N      -2.966001      0.347436      4.762112
  Mo     -3.736090      2.125807      5.219192
  N      -5.019908      1.981486      6.651760
  C      -4.540183      1.883400      8.029390
  C      -3.155305      1.248426      8.009000
  N      -2.340513      1.864091      6.921451
  C      -1.266533      0.950708      6.436050
  C      -1.833901     -0.148408      5.544321
  C      -1.770171      3.187421      7.293172
  C      -1.634033      3.995875      6.008034
  N      -2.918572      3.986613      5.292775
  H      -1.014555     -0.505660      4.894131
  H      -2.150689     -1.023284      6.148188
  H      -0.560059      1.566367      5.863476
  H      -0.717408      0.524764      7.292500
  H      -1.321005      5.024414      6.249708
  H      -0.835864      3.573311      5.374458
  H      -2.476792      3.685853      7.970869
  H      -0.812682      3.052806      7.825290
  H      -5.219767      1.257868      8.634578
  H      -4.514401      2.880568      8.507158
  H      -3.254447      0.181081      7.769411
  H      -2.640679      1.343817      8.979702
  C      -3.726959     -0.734328      4.140856
  C      -3.069418     -1.360515      2.903489
  C      -3.026697     -0.420884      1.718161
  O      -4.417558     -0.175131      1.328173
  C      -4.618371      0.273200      0.052226
  C      -5.409040     -0.473747     -0.800328
  C      -5.640424     -0.010335     -2.114144
  N      -5.150534      1.115733     -2.609153
  C      -4.392833      1.879107     -1.769172
  C      -3.879963      3.114071     -2.235964
  C      -3.164014      3.914724     -1.375542
  C      -2.962091      3.478349     -0.044826
  N      -3.390052      2.319928      0.429939
  C      -4.097186      1.518322     -0.413912
  C      -3.632321      5.257356      5.467235
  C      -4.749631      5.512056      4.465026
  C      -4.191267      5.767676      3.066344
  O      -4.983456      5.157151      2.026598
  C      -6.210795      5.654883      1.764926
  C      -6.726652      6.843882      2.255336
  C      -8.011082      7.255660      1.836166
  N      -8.784572      6.602170      0.984731
  C      -8.294318      5.420759      0.503362
  C      -9.071827      4.668961     -0.411457
  C      -8.594186      3.459943     -0.865769
  C      -7.345631      2.997082     -0.393280
  N      -6.575285      3.669091      0.448238
  C      -7.027204      4.876003      0.880342
  C      -6.458047      2.082377      6.447244
  C      -7.057438      3.432626      6.883247
  C      -8.308418      3.763989      6.094071
  O      -7.914924      3.971427      4.707860
  C      -8.911500      3.741006      3.798948
  C      -9.962589      4.616188      3.620174
  C     -10.963864      4.306062      2.671708
  N     -10.977848      3.212744      1.926075
  C      -9.931445      2.350905      2.072469
  C      -9.880142      1.181905      1.274868
  C      -8.811039      0.322551      1.403712
  C      -7.783223      0.642521      2.318737
  N      -7.790362      1.720113      3.090904
  C      -8.851222      2.568072      2.986934
  H      -3.898094     -1.525562      4.896499
  H      -4.725026     -0.363867      3.860042
  H      -2.043200     -1.685832      3.135231
  H      -3.633127     -2.264355      2.621646
  H      -2.504195     -0.877687      0.864383
  H      -2.548695      0.539397      1.959547
  H      -5.829804     -1.420691     -0.460302
  H      -6.254100     -0.612821     -2.791154
  H      -4.081502      3.401969     -3.268877
  H      -2.759082      4.872116     -1.706254
  H      -2.436122      4.119049      0.669073
  H      -2.903052      6.087473      5.395014
  H      -4.058952      5.320776      6.489471
  H      -5.345309      6.366072      4.817471
  H      -5.439778      4.657490      4.431801
  H      -3.214213      5.275489      2.969292
  H      -4.060005      6.841505      2.858810
  H      -6.165687      7.473360      2.943826
  H      -8.410738      8.196522      2.228851
  H     -10.040268      5.066712     -0.717279
  H      -9.173663      2.845100     -1.555513
  H      -6.968465      2.023356     -0.716697
  H      -6.966561      1.252619      6.973723
  H      -6.662290      1.951137      5.372442
  H      -6.311339      4.226069      6.719870
  H      -7.307850      3.439106      7.955241
  H      -8.796905      4.675231      6.474863
  H      -9.036526      2.936617      6.135984
  H     -10.012441      5.542349      4.193405
  H     -11.793495      5.004107      2.526368
  H     -10.686349      1.007872      0.560547
  H      -8.734053     -0.581892      0.799423
  H      -6.905492     -0.007731      2.399071
  N      -4.833266      2.343436      3.279846
  H      -4.748261      1.485252      2.716431
  H      -4.494443      3.077771      2.644953
  H      -5.858025      2.475715      3.371046
102
Coordinates from ORCA-job orca E -6430.586096791279
  N      -2.960428      0.336629      4.773782
  Mo     -3.744596      2.111294      5.229131
  N      -5.030655      1.988699      6.665395
  C      -4.552665      1.899075      8.044324
  C      -3.171644      1.256358      8.031360
  N      -2.352696      1.854897      6.937982
  C      -1.281937      0.930303      6.467612
  C      -1.855634     -0.171190      5.586299
  C      -1.776854      3.179792      7.295119
  C      -1.617853      3.965096      5.998316
  N      -2.895306      3.958825      5.270864
  H      -1.033284     -0.560338      4.958428
  H      -2.204902     -1.026959      6.199781
  H      -0.568747      1.534249      5.891190
  H      -0.740049      0.509123      7.331055
  H      -1.295627      4.993974      6.226476
  H      -0.819285      3.523094      5.379169
  H      -2.489198      3.695521      7.953664
  H      -0.828401      3.046919      7.843894
  H      -5.235864      1.281470      8.653727
  H      -4.522843      2.899350      8.515422
  H      -3.276435      0.186861      7.803874
  H      -2.656895      1.359443      9.001292
  C      -3.707837     -0.741312      4.128126
  C      -3.029374     -1.341260      2.888497
  C      -2.996684     -0.386859      1.714362
  O      -4.390450     -0.156429      1.324361
  C      -4.600000      0.292879      0.049881
  C      -5.389623     -0.458515     -0.799646
  C      -5.632388      0.005575     -2.111171
  N      -5.154697      1.136987     -2.606215
  C      -4.397770      1.904339     -1.769085
  C      -3.897162      3.144037     -2.237024
  C      -3.178284      3.946203     -1.380384
  C      -2.961957      3.507106     -0.052766
  N      -3.381320      2.346378      0.423761
  C      -4.090628      1.542580     -0.416559
  C      -3.605954      5.232053      5.441940
  C      -4.730281      5.483847      4.447044
  C      -4.184475      5.733046      3.042286
  O      -4.989484      5.124094      2.011293
  C      -6.215038      5.630650      1.757539
  C      -6.723602      6.818397      2.258501
  C      -8.008556      7.238638      1.849171
  N      -8.789355      6.594019      0.997664
  C      -8.305693      5.415142      0.503683
  C      -9.090505      4.673959     -0.413478
  C      -8.617929      3.468723     -0.883290
  C      -7.366648      2.999245     -0.424430
  N      -6.590569      3.660746      0.420151
  C      -7.037697      4.863353      0.868763
  C      -6.468594      2.109024      6.465943
  C      -7.042914      3.478217      6.875904
  C      -8.297118      3.808880      6.091900
  O      -7.911178      3.961540      4.696975
  C      -8.916012      3.730094      3.799402
  C      -9.978396      4.595283      3.636594
  C     -10.983406      4.282231      2.693243
  N     -10.992862      3.194350      1.939492
  C      -9.938860      2.339845      2.074078
  C      -9.886829      1.173167      1.273307
  C      -8.813127      0.318497      1.394206
  C      -7.781625      0.641369      2.303809
  N      -7.788050      1.718041      3.077234
  C      -8.853261      2.561611      2.981415
  H      -3.881860     -1.545093      4.869386
  H      -4.705678     -0.375521      3.840825
  H      -1.998129     -1.647711      3.123755
  H      -3.572259     -2.253244      2.592375
  H      -2.465067     -0.824629      0.856380
  H      -2.534276      0.577473      1.968970
  H      -5.801103     -1.409560     -0.459441
  H      -6.245167     -0.600809     -2.785571
  H      -4.109601      3.433104     -3.267459
  H      -2.781484      4.907251     -1.710520
  H      -2.428572      4.148725      0.654978
  H      -2.874383      6.059169      5.358015
  H      -4.024826      5.305635      6.466831
  H      -5.320224      6.341112      4.801563
  H      -5.424597      4.631964      4.422474
  H      -3.210453      5.236357      2.936718
  H      -4.051252      6.805619      2.829538
  H      -6.157102      7.440610      2.949159
  H      -8.401853      8.178316      2.251116
  H     -10.060020      5.076602     -0.709526
  H      -9.202856      2.862431     -1.576119
  H      -6.991602      2.029350     -0.762156
  H      -6.987951      1.299334      7.012679
  H      -6.680123      1.957697      5.395253
  H      -6.286979      4.255367      6.682985
  H      -7.279503      3.516118      7.950405
  H      -8.764981      4.740080      6.449354
  H      -9.038943      2.996167      6.165724
  H     -10.034239      5.517170      4.216161
  H     -11.819942      4.974373      2.558923
  H     -10.697524      0.996216      0.564770
  H      -8.735927     -0.585274      0.788828
  H      -6.901976     -0.006341      2.379491
  N      -4.845989      2.314527      3.290169
  H      -4.747985      1.459478      2.723487
  H      -4.518676      3.055425      2.656578
  H      -5.874268      2.431894      3.378639
102
Coordinates from ORCA-job orca E -6430.587312463249
  N      -2.956242      0.327859      4.785235
  Mo     -3.749845      2.100263      5.237288
  N      -5.039466      2.000362      6.675368
  C      -4.563891      1.920189      8.056030
  C      -3.187201      1.268493      8.052412
  N      -2.363267      1.847834      6.952975
  C      -1.297405      0.910292      6.497702
  C      -1.880344     -0.192820      5.627785
  C      -1.779638      3.173411      7.295113
  C      -1.598681      3.935167      5.986971
  N      -2.869555      3.933120      5.248730
  H      -1.057497     -0.615932      5.022923
  H      -2.262932     -1.027575      6.250359
  H      -0.577316      1.500930      5.916482
  H      -0.762700      0.493617      7.367762
  H      -1.265008      4.963513      6.200862
  H      -0.801665      3.472207      5.381809
  H      -2.495955      3.706373      7.935308
  H      -0.839751      3.041686      7.858742
  H      -5.251826      1.311896      8.669522
  H      -4.529529      2.924082      8.519036
  H      -3.299027      0.196948      7.838308
  H      -2.672428      1.379625      9.021391
  C      -3.690463     -0.746166      4.116631
  C      -2.991049     -1.323384      2.877653
  C      -2.967688     -0.359009      1.711694
  O      -4.363157     -0.148262      1.316310
  C      -4.576123      0.299144      0.041801
  C      -5.357109     -0.460501     -0.808289
  C      -5.601984      0.000249     -2.120546
  N      -5.134855      1.136283     -2.615206
  C      -4.386651      1.911354     -1.777414
  C      -3.896918      3.155330     -2.245540
  C      -3.182609      3.962146     -1.389529
  C      -2.960021      3.523844     -0.062821
  N      -3.372936      2.361650      0.415364
  C      -4.077831      1.553052     -0.424286
  C      -3.576733      5.208361      5.419164
  C      -4.709365      5.458529      4.433451
  C      -4.178938      5.705196      3.022547
  O      -4.999595      5.100863      2.001618
  C      -6.224143      5.616151      1.760920
  C      -6.724491      6.800824      2.276969
  C      -8.012144      7.228422      1.883827
  N      -8.803228      6.593092      1.035011
  C      -8.326892      5.418460      0.524363
  C      -9.121445      4.688903     -0.393599
  C      -8.653545      3.490110     -0.884188
  C      -7.397278      3.015039     -0.444883
  N      -6.613122      3.665055      0.400883
  C      -7.055740      4.861113      0.870341
  C      -6.477020      2.138269      6.480239
  C      -7.027818      3.525698      6.861068
  C      -8.285622      3.855387      6.081591
  O      -7.911441      3.950508      4.678527
  C      -8.926113      3.717049      3.794328
  C     -10.002404      4.569277      3.652773
  C     -11.012709      4.253214      2.716457
  N     -11.017341      3.172628      1.952211
  C      -9.953452      2.328109      2.070076
  C      -9.900994      1.164624      1.264712
  C      -8.820401      0.317014      1.372530
  C      -7.782910      0.643790      2.273512
  N      -7.788804      1.718250      3.050094
  C      -8.860298      2.555232      2.967132
  H      -3.867134     -1.561214      4.844459
  H      -4.687771     -0.385213      3.822157
  H      -1.955337     -1.609195      3.119169
  H      -3.512205     -2.244187      2.570387
  H      -2.424368     -0.780110      0.852861
  H      -2.522647      0.610508      1.976955
  H      -5.759324     -1.415604     -0.468522
  H      -6.207284     -0.612735     -2.795638
  H      -4.113046      3.442605     -3.275657
  H      -2.793393      4.926505     -1.718682
  H      -2.423945      4.167838      0.640661
  H      -2.843491      6.032940      5.324297
  H      -3.986582      5.290455      6.447135
  H      -5.294002      6.317572      4.792567
  H      -5.406552      4.608445      4.416897
  H      -3.208491      5.204307      2.903751
  H      -4.044493      6.777211      2.807863
  H      -6.150472      7.415043      2.968514
  H      -8.398798      8.165296      2.298369
  H     -10.093503      5.095662     -0.675248
  H      -9.244811      2.894045     -1.580399
  H      -7.023809      2.051454     -0.801597
  H      -7.005753      1.350010      7.048789
  H      -6.696232      1.964615      5.414938
  H      -6.263288      4.285976      6.638222
  H      -7.250178      3.595457      7.936867
  H      -8.730253      4.807109      6.413230
  H      -9.042014      3.060347      6.189831
  H     -10.065423      5.484557      4.241877
  H     -11.858386      4.936953      2.597359
  H     -10.718566      0.983217      0.565346
  H      -8.743124     -0.584907      0.764502
  H      -6.899449      0.000379      2.340980
  N      -4.855688      2.292265      3.299406
  H      -4.741387      1.443130      2.726745
  H      -4.542222      3.043069      2.670509
  H      -5.887390      2.391388      3.384868
102
Coordinates from ORCA-job orca E -6430.588370343733
  N      -2.953684      0.316449      4.795175
  Mo     -3.753394      2.088068      5.243280
  N      -5.045538      2.008618      6.683294
  C      -4.570681      1.939234      8.065279
  C      -3.197570      1.280653      8.070293
  N      -2.370972      1.841910      6.963817
  C      -1.309835      0.893058      6.520648
  C      -1.902145     -0.212646      5.663308
  C      -1.780619      3.168924      7.290671
  C      -1.584807      3.909352      5.972178
  N      -2.851246      3.909883      5.226839
  H      -1.080988     -0.665714      5.078123
  H      -2.311427     -1.027920      6.294658
  H      -0.585963      1.471973      5.932626
  H      -0.778744      0.482175      7.395685
  H      -1.240137      4.937122      6.171471
  H      -0.790814      3.427488      5.378171
  H      -2.498940      3.715596      7.916901
  H      -0.846443      3.039595      7.864297
  H      -5.262299      1.340103      8.683679
  H      -4.532336      2.947165      8.519216
  H      -3.314960      0.206988      7.870348
  H      -2.681714      1.401127      9.037531
  C      -3.674471     -0.755777      4.108211
  C      -2.959088     -1.311925      2.868482
  C      -2.944274     -0.337686      1.710891
  O      -4.341931     -0.133411      1.320291
  C      -4.565936      0.321262      0.050506
  C      -5.361507     -0.429948     -0.793580
  C      -5.623065      0.040546     -2.099087
  N      -5.158352      1.178049     -2.592825
  C      -4.394814      1.944321     -1.760813
  C      -3.906835      3.189526     -2.227592
  C      -3.175891      3.986941     -1.376942
  C      -2.935147      3.538307     -0.056871
  N      -3.347597      2.375578      0.420244
  C      -4.068213      1.575708     -0.414472
  C      -3.557266      5.185760      5.397723
  C      -4.698010      5.431717      4.420045
  C      -4.179708      5.675591      3.004288
  O      -5.009774      5.072065      1.990244
  C      -6.232748      5.593412      1.753958
  C      -6.728175      6.776172      2.278975
  C      -8.016162      7.209857      1.893502
  N      -8.812073      6.582007      1.043811
  C      -8.339640      5.410787      0.521844
  C      -9.138609      4.691263     -0.400127
  C      -8.673288      3.497797     -0.905822
  C      -7.414962      3.017633     -0.477843
  N      -6.627274      3.657511      0.372655
  C      -7.067712      4.848213      0.857881
  C      -6.482866      2.162985      6.494169
  C      -7.009414      3.567235      6.847988
  C      -8.269242      3.898624      6.072124
  O      -7.905350      3.930966      4.663779
  C      -8.927842      3.697871      3.790843
  C     -10.015034      4.539438      3.666401
  C     -11.027928      4.222523      2.733421
  N     -11.027470      3.149441      1.958459
  C      -9.956108      2.312720      2.063743
  C      -9.901855      1.152890      1.253122
  C      -8.817161      0.309641      1.352865
  C      -7.777565      0.637095      2.251031
  N      -7.783506      1.709553      3.030356
  C      -8.858761      2.542415      2.955043
  H      -3.850234     -1.581225      4.824210
  H      -4.672688     -0.400737      3.810029
  H      -1.919609     -1.580829      3.113735
  H      -3.462984     -2.239116      2.552015
  H      -2.398289     -0.745929      0.847582
  H      -2.506748      0.632751      1.984848
  H      -5.763448     -1.385345     -0.454252
  H      -6.240156     -0.565665     -2.769668
  H      -4.138034      3.484814     -3.252194
  H      -2.788338      4.952460     -1.704829
  H      -2.383447      4.174656      0.641435
  H      -2.824263      6.009487      5.292451
  H      -3.958522      5.275241      6.428603
  H      -5.280706      6.290807      4.782241
  H      -5.394915      4.581083      4.411082
  H      -3.211282      5.172725      2.877798
  H      -4.045021      6.747045      2.786843
  H      -6.150745      7.384513      2.972831
  H      -8.398714      8.144886      2.315997
  H     -10.111318      5.101869     -0.673994
  H      -9.267349      2.910526     -1.607119
  H      -7.042801      2.059107     -0.849729
  H      -7.019327      1.395619      7.083583
  H      -6.711874      1.969063      5.434774
  H      -6.236105      4.309804      6.598038
  H      -7.218161      3.666759      7.924100
  H      -8.686818      4.872109      6.374054
  H      -9.042805      3.126100      6.215574
  H     -10.084669      5.448623      4.264073
  H     -11.880442      4.899794      2.626184
  H     -10.723125      0.969436      0.558595
  H      -8.739233     -0.590672      0.742496
  H      -6.893688     -0.005491      2.316339
  N      -4.868791      2.268573      3.308299
  H      -4.737246      1.426577      2.728780
  H      -4.572091      3.030277      2.684096
  H      -5.903499      2.348063      3.392067
102
Coordinates from ORCA-job orca E -6430.589319279442
  N      -2.956984      0.308727      4.806875
  Mo     -3.759206      2.079846      5.251358
  N      -5.052492      2.020503      6.693802
  C      -4.576679      1.962141      8.076710
  C      -3.207366      1.295699      8.089606
  N      -2.378435      1.837427      6.975444
  C      -1.324146      0.876207      6.542641
  C      -1.928876     -0.230208      5.697560
  C      -1.778295      3.164091      7.287282
  C      -1.570025      3.884060      5.959249
  N      -2.833967      3.888933      5.209854
  H      -1.112220     -0.712131      5.129458
  H      -2.364145     -1.025750      6.336509
  H      -0.597261      1.442921      5.946741
  H      -0.795657      0.469521      7.421165
  H      -1.213004      4.910380      6.144005
  H      -0.781574      3.383524      5.373553
  H      -2.496153      3.725015      7.901381
  H      -0.848609      3.035463      7.868295
  H      -5.271883      1.372999      8.700673
  H      -4.533134      2.974344      8.520698
  H      -3.331898      0.220137      7.904677
  H      -2.689662      1.425493      9.054573
  C      -3.664006     -0.761764      4.101163
  C      -2.927306     -1.300617      2.865926
  C      -2.918524     -0.322803      1.711438
  O      -4.315951     -0.140997      1.309593
  C      -4.541464      0.310102      0.038950
  C      -5.323142     -0.453056     -0.807387
  C      -5.584336      0.011873     -2.114930
  N      -5.133462      1.155305     -2.608124
  C      -4.384700      1.933381     -1.773716
  C      -3.912409      3.185163     -2.239158
  C      -3.194002      3.992046     -1.386692
  C      -2.950125      3.546684     -0.066333
  N      -3.351316      2.380107      0.411097
  C      -4.058653      1.570512     -0.425502
  C      -3.535841      5.166876      5.384122
  C      -4.684114      5.413579      4.415531
  C      -4.178568      5.659881      2.995556
  O      -5.022285      5.063705      1.989119
  C      -6.243190      5.594437      1.764358
  C      -6.729754      6.773421      2.305687
  C      -8.019178      7.216078      1.935091
  N      -8.824185      6.600376      1.085155
  C      -8.359100      5.434529      0.544751
  C      -9.166748      4.729573     -0.380916
  C      -8.707188      3.543032     -0.907687
  C      -7.445826      3.054957     -0.497469
  N      -6.650579      3.680657      0.356562
  C      -7.085927      4.864233      0.863206
  C      -6.489599      2.189584      6.510769
  C      -6.993530      3.609873      6.833450
  C      -8.254755      3.941372      6.059196
  O      -7.903218      3.903223      4.648166
  C      -8.933397      3.671988      3.786188
  C     -10.031697      4.502227      3.680856
  C     -11.047238      4.185773      2.750898
  N     -11.041320      3.122148      1.962749
  C      -9.961983      2.294067      2.053132
  C      -9.904652      1.140574      1.233497
  C      -8.814333      0.303425      1.321054
  C      -7.772309      0.630322      2.216423
  N      -7.780083      1.697762      3.002678
  C      -8.860409      2.524915      2.938807
  H      -3.840885     -1.595965      4.806397
  H      -4.661681     -0.412670      3.794888
  H      -1.885053     -1.548379      3.121821
  H      -3.409601     -2.236834      2.542531
  H      -2.358783     -0.719166      0.851412
  H      -2.498032      0.653191      1.991956
  H      -5.712994     -1.413644     -0.468547
  H      -6.189557     -0.603561     -2.787992
  H      -4.144804      3.477089     -3.264500
  H      -2.818443      4.962843     -1.712762
  H      -2.402675      4.188128      0.630768
  H      -2.801621      5.988440      5.269300
  H      -3.926983      5.261936      6.418436
  H      -5.263731      6.272256      4.783696
  H      -5.381188      4.562891      4.410386
  H      -3.213652      5.153810      2.855319
  H      -4.042276      6.731787      2.781043
  H      -6.145160      7.371871      3.002192
  H      -8.395151      8.147682      2.370939
  H     -10.140734      5.145891     -0.641471
  H      -9.307343      2.967768     -1.613803
  H      -7.077678      2.102371     -0.888094
  H      -7.032307      1.444431      7.122331
  H      -6.728368      1.973905      5.458085
  H      -6.212100      4.333536      6.555471
  H      -7.189220      3.741763      7.908420
  H      -8.641820      4.937485      6.325611
  H      -9.047194      3.196730      6.241680
  H     -10.108103      5.403684      4.289254
  H     -11.907051      4.855794      2.656767
  H     -10.729574      0.955964      0.543593
  H      -8.734560     -0.592357      0.704245
  H      -6.885518     -0.008650      2.274885
  N      -4.885028      2.253152      3.321710
  H      -4.732104      1.422565      2.730886
  H      -4.609566      3.031177      2.707993
  H      -5.922750      2.306855      3.405165
102
Coordinates from ORCA-job orca E -6430.590178186379
  N      -2.958999      0.297221      4.819006
  Mo     -3.759654      2.070295      5.255324
  N      -5.056519      2.032384      6.697255
  C      -4.581571      1.988287      8.081467
  C      -3.216079      1.314457      8.105254
  N      -2.383082      1.834814      6.984381
  C      -1.336348      0.859755      6.563688
  C      -1.952370     -0.248201      5.730805
  C      -1.772814      3.161045      7.279864
  C      -1.554773      3.861309      5.942851
  N      -2.816870      3.869166      5.190534
  H      -1.140545     -0.756188      5.178818
  H      -2.410779     -1.024254      6.377186
  H      -0.605720      1.413274      5.960286
  H      -0.811258      0.458307      7.446526
  H      -1.186389      4.886111      6.113130
  H      -0.771919      3.344176      5.364235
  H      -2.488897      3.735310      7.883614
  H      -0.846473      3.033248      7.866202
  H      -5.281050      1.410701      8.711343
  H      -4.533311      3.005671      8.512943
  H      -3.346837      0.236960      7.936866
  H      -2.698225      1.455454      9.068446
  C      -3.653887     -0.771107      4.097525
  C      -2.903560     -1.292991      2.863588
  C      -2.900690     -0.307729      1.715523
  O      -4.298681     -0.131139      1.314860
  C      -4.530000      0.325065      0.047527
  C      -5.323415     -0.430698     -0.794606
  C      -5.592375      0.039878     -2.098244
  N      -5.138141      1.181622     -2.592032
  C      -4.377158      1.952250     -1.761911
  C      -3.900383      3.202093     -2.227540
  C      -3.168828      4.001298     -1.379123
  C      -2.916235      3.550282     -0.062653
  N      -3.322624      2.385720      0.415453
  C      -4.042643      1.583665     -0.417377
  C      -3.514478      5.149734      5.363745
  C      -4.668874      5.394389      4.401509
  C      -4.175087      5.640862      2.977584
  O      -5.030224      5.047506      1.979259
  C      -6.251884      5.581887      1.766095
  C      -6.734230      6.755348      2.322934
  C      -8.027928      7.199686      1.970118
  N      -8.841289      6.590567      1.123734
  C      -8.379246      5.431859      0.565804
  C      -9.194340      4.736715     -0.360660
  C      -8.735717      3.559890     -0.909318
  C      -7.468373      3.070816     -0.519612
  N      -6.666706      3.686853      0.335403
  C      -7.101307      4.861132      0.863534
  C      -6.493153      2.213364      6.517277
  C      -6.978222      3.647079      6.810522
  C      -8.240045      3.982255      6.037227
  O      -7.905314      3.878592      4.625974
  C      -8.944612      3.647955      3.777385
  C     -10.056213      4.463543      3.694762
  C     -11.075580      4.145550      2.770043
  N     -11.064315      3.091776      1.968761
  C      -9.974970      2.275248      2.041044
  C      -9.914562      1.127413      1.213525
  C      -8.816312      0.299141      1.286032
  C      -7.770290      0.628308      2.175533
  N      -7.780955      1.690912      2.968254
  C      -8.867614      2.510107      2.917648
  H      -3.830925     -1.613475      4.792661
  H      -4.651322     -0.425688      3.786963
  H      -1.859446     -1.527189      3.124541
  H      -3.371274     -2.233870      2.532835
  H      -2.338418     -0.694905      0.853003
  H      -2.485318      0.668613      2.002366
  H      -5.716531     -1.389640     -0.455236
  H      -6.206911     -0.569471     -2.768263
  H      -4.140013      3.498877     -3.249725
  H      -2.790115      4.970822     -1.704862
  H      -2.356596      4.185042      0.630676
  H      -2.779055      5.968910      5.239753
  H      -3.897322      5.251915      6.400429
  H      -5.247757      6.252145      4.772792
  H      -5.364254      4.542431      4.400693
  H      -3.212659      5.133295      2.826714
  H      -4.038995      6.712822      2.763679
  H      -6.143844      7.347627      3.019558
  H      -8.400808      8.126168      2.419130
  H     -10.171858      5.153700     -0.606103
  H      -9.339923      2.994063     -1.619370
  H      -7.100583      2.126714     -0.930318
  H      -7.040465      1.488924      7.148973
  H      -6.740055      1.976335      5.471669
  H      -6.189051      4.353352      6.511784
  H      -7.164264      3.806358      7.883342
  H      -8.594720      4.998688      6.269402
  H      -9.051720      3.268834      6.255691
  H     -10.140294      5.356026      4.314940
  H     -11.944544      4.805627      2.692174
  H     -10.745062      0.938530      0.531644
  H      -8.734595     -0.592331      0.663480
  H      -6.879319     -0.005584      2.225905
  N      -4.889709      2.232949      3.326943
  H      -4.710729      1.414909      2.726216
  H      -4.635877      3.026782      2.724488
  H      -5.930082      2.257330      3.405674
102
Coordinates from ORCA-job orca E -6430.590931283834
  N      -2.971473      0.286477      4.830787
  Mo     -3.765690      2.062949      5.261986
  N      -5.059242      2.042895      6.709177
  C      -4.578891      2.012902      8.092414
  C      -3.217000      1.332642      8.120490
  N      -2.385182      1.832891      6.990023
  C      -1.348874      0.844023      6.576000
  C      -1.980339     -0.264603      5.757094
  C      -1.762836      3.157738      7.268433
  C      -1.544724      3.841961      5.923093
  N      -2.810144      3.854052      5.175893
  H      -1.176122     -0.795938      5.216024
  H      -2.457397     -1.021966      6.411879
  H      -0.616859      1.384219      5.962233
  H      -0.823402      0.447001      7.460581
  H      -1.164697      4.864825      6.079288
  H      -0.770723      3.310737      5.345195
  H      -2.472484      3.743822      7.868588
  H      -0.835444      3.029218      7.852973
  H      -5.279233      1.446297      8.731241
  H      -4.524176      3.035258      8.511401
  H      -3.354030      0.253448      7.968616
  H      -2.695046      1.484598      9.079824
  C      -3.654730     -0.780342      4.095199
  C      -2.888715     -1.288822      2.864880
  C      -2.885959     -0.299280      1.720425
  O      -4.283161     -0.129667      1.315358
  C      -4.518239      0.331466      0.050749
  C      -5.316693     -0.420700     -0.789903
  C      -5.592581      0.054921     -2.090104
  N      -5.140444      1.198285     -2.582292
  C      -4.374493      1.965440     -1.753487
  C      -3.899567      3.216784     -2.216823
  C      -3.162886      4.012460     -1.369352
  C      -2.903983      3.556655     -0.055811
  N      -3.309671      2.390903      0.420503
  C      -4.033058      1.591785     -0.412034
  C      -3.501153      5.138607      5.348394
  C      -4.661688      5.381387      4.392856
  C      -4.177943      5.627153      2.965197
  O      -5.041830      5.035530      1.973064
  C      -6.262053      5.575706      1.764943
  C      -6.738821      6.747212      2.330723
  C      -8.033210      7.196843      1.987316
  N      -8.851668      6.595733      1.140166
  C      -8.393334      5.441655      0.569524
  C      -9.212410      4.758005     -0.362028
  C      -8.756502      3.587519     -0.926240
  C      -7.488117      3.092689     -0.547019
  N      -6.683259      3.697445      0.313227
  C      -7.115228      4.865675      0.857047
  C      -6.496159      2.231544      6.537399
  C      -6.966062      3.675172      6.804317
  C      -8.225359      4.011703      6.027077
  O      -7.901416      3.839779      4.621002
  C      -8.944688      3.615914      3.778870
  C     -10.065116      4.421510      3.712846
  C     -11.084330      4.106945      2.787075
  N     -11.067518      3.064363      1.971218
  C      -9.971970      2.255041      2.030653
  C      -9.907337      1.115544      1.191923
  C      -8.804582      0.292532      1.253449
  C      -7.758968      0.617482      2.144824
  N      -7.773350      1.672738      2.947314
  C      -8.863146      2.487980      2.905592
  H      -3.833114     -1.629001      4.782040
  H      -4.651194     -0.438189      3.778411
  H      -1.844201     -1.511678      3.134350
  H      -3.342658     -2.233909      2.526908
  H      -2.318136     -0.680345      0.858772
  H      -2.476027      0.677876      2.012166
  H      -5.708579     -1.380605     -0.451609
  H      -6.211248     -0.551475     -2.759137
  H      -4.144493      3.517763     -3.236589
  H      -2.785504      4.983235     -1.693140
  H      -2.339293      4.187815      0.636879
  H      -2.763539      5.954160      5.213331
  H      -3.874506      5.248976      6.387664
  H      -5.240525      6.237939      4.766835
  H      -5.354575      4.527389      4.395763
  H      -3.217817      5.117709      2.806648
  H      -4.041095      6.699016      2.750903
  H      -6.143828      7.333626      3.028386
  H      -8.402036      8.120967      2.444654
  H     -10.190038      5.179218     -0.599951
  H      -9.362895      3.031676     -1.642404
  H      -7.122481      2.153985     -0.972194
  H      -7.044004      1.524659      7.188073
  H      -6.752743      1.975235      5.498990
  H      -6.169670      4.366225      6.490556
  H      -7.147427      3.858228      7.874210
  H      -8.549221      5.046369      6.220941
  H      -9.055154      3.330488      6.277221
  H     -10.156245      5.305150      4.344510
  H     -11.958966      4.760916      2.720831
  H     -10.739471      0.927646      0.511682
  H      -8.720120     -0.592720      0.622337
  H      -6.866263     -0.013825      2.189710
  N      -4.910140      2.217440      3.341182
  H      -4.710388      1.412556      2.729098
  H      -4.680331      3.026750      2.749498
  H      -5.952028      2.215631      3.420578
102
Coordinates from ORCA-job orca E -6430.591605865880
  N      -2.978914      0.274747      4.847516
  Mo     -3.765440      2.055096      5.269264
  N      -5.060918      2.055963      6.716260
  C      -4.579858      2.043464      8.100009
  C      -3.222137      1.355711      8.138512
  N      -2.387090      1.832511      7.000638
  C      -1.361620      0.827448      6.597987
  C      -2.006718     -0.281749      5.791518
  C      -1.751306      3.154967      7.260632
  C      -1.529397      3.820352      5.906396
  N      -2.796847      3.837614      5.161754
  H      -1.209169     -0.837147      5.265099
  H      -2.505503     -1.018418      6.453497
  H      -0.624842      1.352097      5.976375
  H      -0.839809      0.435023      7.486715
  H      -1.137542      4.840846      6.048454
  H      -0.763467      3.274093      5.331695
  H      -2.454495      3.755311      7.854398
  H      -0.824355      3.025208      7.845558
  H      -5.283406      1.490415      8.747103
  H      -4.518936      3.071680      8.503581
  H      -3.365715      0.274987      8.004852
  H      -2.699468      1.520143      9.095416
  C      -3.649554     -0.789245      4.096080
  C      -2.868013     -1.282885      2.869529
  C      -2.867312     -0.287323      1.730011
  O      -4.264300     -0.124155      1.322519
  C      -4.504700      0.339050      0.059891
  C      -5.311918     -0.410256     -0.775007
  C      -5.597545      0.067317     -2.072151
  N      -5.146656      1.209994     -2.567094
  C      -4.371660      1.974253     -1.744038
  C      -3.897196      3.224559     -2.210313
  C      -3.151456      4.017783     -1.368385
  C      -2.883751      3.560935     -0.057162
  N      -3.289606      2.396184      0.422129
  C      -4.020256      1.598827     -0.405653
  C      -3.477729      5.128544      5.329686
  C      -4.645814      5.370708      4.383023
  C      -4.176083      5.610684      2.949538
  O      -5.054237      5.021667      1.968039
  C      -6.273887      5.568313      1.771626
  C      -6.743584      6.735252      2.352743
  C      -8.040721      7.189762      2.026862
  N      -8.868132      6.598176      1.181807
  C      -8.414941      5.451651      0.592032
  C      -9.241756      4.782140     -0.342948
  C      -8.789483      3.621828     -0.930403
  C      -7.517195      3.122304     -0.570790
  N      -6.705979      3.713017      0.293290
  C      -7.134417      4.871601      0.860229
  C      -6.497477      2.249978      6.545368
  C      -6.956354      3.701933      6.784400
  C      -8.213561      4.038841      6.002969
  O      -7.905366      3.801811      4.604132
  C      -8.954159      3.584207      3.770783
  C     -10.085234      4.376868      3.725078
  C     -11.105885      4.064338      2.800416
  N     -11.083548      3.034212      1.968986
  C      -9.979873      2.234753      2.011972
  C      -9.910086      1.105039      1.160476
  C      -8.800146      0.290625      1.206677
  C      -7.753557      0.612820      2.097721
  N      -7.773613      1.658663      2.912295
  C      -8.868316      2.467238      2.882913
  H      -3.831087     -1.644377      4.773759
  H      -4.644119     -0.448861      3.772057
  H      -1.823214     -1.495608      3.146159
  H      -3.308354     -2.231387      2.523201
  H      -2.295140     -0.661266      0.868098
  H      -2.462911      0.690520      2.026923
  H      -5.703387     -1.369381     -0.434038
  H      -6.223550     -0.536668     -2.736532
  H      -4.149415      3.527263     -3.227775
  H      -2.773866      4.987733     -1.694292
  H      -2.311561      4.190016      0.631352
  H      -2.735848      5.937751      5.180462
  H      -3.839466      5.250742      6.371654
  H      -5.221016      6.228753      4.758981
  H      -5.338916      4.517096      4.393705
  H      -3.220675      5.095771      2.781022
  H      -4.035913      6.681425      2.731973
  H      -6.141291      7.313711      3.050643
  H      -8.404414      8.108995      2.497979
  H     -10.221385      5.206719     -0.566149
  H      -9.400703      3.078183     -1.651803
  H      -7.154188      2.192043     -1.016283
  H      -7.046666      1.560083      7.212748
  H      -6.758652      1.972992      5.513645
  H      -6.153137      4.379290      6.459203
  H      -7.135862      3.906986      7.850613
  H      -8.507309      5.088806      6.159065
  H      -9.059507      3.390525      6.283812
  H     -10.184218      5.249887      4.369977
  H     -11.987751      4.709926      2.748951
  H     -10.745063      0.916596      0.483858
  H      -8.712080     -0.586735      0.565152
  H      -6.856367     -0.012665      2.133267
  N      -4.907699      2.195981      3.346336
  H      -4.679485      1.404608      2.726700
  H      -4.698086      3.018882      2.766288
  H      -5.951048      2.164927      3.416156
102
Coordinates from ORCA-job orca E -6430.592193305039
  N      -3.003016      0.263068      4.861350
  Mo     -3.774796      2.050280      5.276824
  N      -5.063706      2.073330      6.731029
  C      -4.574648      2.077129      8.112264
  C      -3.223126      1.377979      8.153777
  N      -2.389928      1.830148      7.004894
  C      -1.380400      0.806736      6.608626
  C      -2.045745     -0.300545      5.816954
  C      -1.736442      3.147768      7.244842
  C      -1.517651      3.796361      5.881938
  N      -2.791303      3.822636      5.147898
  H      -1.258863     -0.880062      5.300798
  H      -2.562838     -1.016182      6.487780
  H      -0.639711      1.313528      5.976867
  H      -0.859794      0.416786      7.499101
  H      -1.111356      4.813110      6.009871
  H      -0.764287      3.234600      5.305666
  H      -2.427762      3.762870      7.837483
  H      -0.806582      3.013545      7.824012
  H      -5.279268      1.539976      8.771418
  H      -4.501973      3.110621      8.500102
  H      -3.376714      0.296633      8.038133
  H      -2.694288      1.552587      9.105481
  C      -3.661375     -0.796815      4.093274
  C      -2.860768     -1.277210      2.873702
  C      -2.855546     -0.276981      1.738058
  O      -4.249923     -0.122129      1.319944
  C      -4.488522      0.345512      0.058866
  C      -5.295863     -0.401575     -0.777986
  C      -5.584626      0.080773     -2.072349
  N      -5.136202      1.226033     -2.563341
  C      -4.359948      1.987409     -1.738929
  C      -3.886745      3.239253     -2.201843
  C      -3.138651      4.029273     -1.359022
  C      -2.868292      3.568128     -0.050044
  N      -3.274246      2.402181      0.426781
  C      -4.005719      1.607329     -0.402610
  C      -3.456952      5.121921      5.310340
  C      -4.633507      5.363886      4.374139
  C      -4.177602      5.596459      2.934822
  O      -5.066950      5.007378      1.963360
  C      -6.286286      5.557955      1.775400
  C      -6.752848      6.719540      2.369631
  C      -8.052769      7.175445      2.057742
  N      -8.885862      6.590087      1.214104
  C      -8.434138      5.451775      0.607645
  C      -9.265086      4.793489     -0.331549
  C      -8.811987      3.645000     -0.940912
  C      -7.535144      3.145141     -0.598341
  N      -6.720992      3.724321      0.270731
  C      -7.150254      4.871746      0.859434
  C      -6.500238      2.273521      6.567654
  C      -6.944956      3.734594      6.776159
  C      -8.198146      4.071972      5.987135
  O      -7.906148      3.763802      4.599811
  C      -8.958812      3.551765      3.773281
  C     -10.100396      4.330694      3.745848
  C     -11.120938      4.019588      2.820802
  N     -11.091504      3.002447      1.973945
  C      -9.979517      2.213678      2.001940
  C      -9.902875      1.094533      1.137280
  C      -8.785622      0.289370      1.169801
  C      -7.739632      0.609098      2.062002
  N      -7.766606      1.645101      2.888931
  C      -8.866842      2.446038      2.870881
  H      -3.848057     -1.657814      4.761840
  H      -4.652780     -0.457514      3.759376
  H      -1.817419     -1.481398      3.162101
  H      -3.287056     -2.228348      2.517319
  H      -2.273942     -0.644578      0.879783
  H      -2.458995      0.702236      2.041143
  H      -5.685486     -1.362444     -0.440031
  H      -6.211370     -0.521120     -2.737831
  H      -4.140891      3.545734     -3.217612
  H      -2.760839      4.999923     -1.682278
  H      -2.292457      4.194137      0.638194
  H      -2.708972      5.922077      5.143911
  H      -3.805096      5.258671      6.355048
  H      -5.203964      6.224199      4.751748
  H      -5.327666      4.510992      4.394530
  H      -3.226195      5.076821      2.758607
  H      -4.035465      6.665763      2.711754
  H      -6.146152      7.292207      3.068353
  H      -8.414576      8.089040      2.540966
  H     -10.247347      5.218237     -0.542183
  H      -9.424930      3.111639     -1.668392
  H      -7.170539      2.225373     -1.063552
  H      -7.048769      1.602695      7.254671
  H      -6.770383      1.974303      5.544811
  H      -6.132988      4.395452      6.439699
  H      -7.123602      3.963640      7.837600
  H      -8.459198      5.136055      6.099298
  H      -9.061287      3.462041      6.300098
  H     -10.209114      5.192098      4.404365
  H     -12.010370      4.655654      2.783491
  H     -10.739444      0.905419      0.462915
  H      -8.692681     -0.579721      0.517896
  H      -6.838021     -0.010290      2.089734
  N      -4.927210      2.183198      3.360019
  H      -4.683280      1.403096      2.732401
  H      -4.734968      3.016037      2.788527
  H      -5.970618      2.133699      3.427433
102
Coordinates from ORCA-job orca E -6430.592669711803
  N      -3.023115      0.252401      4.875889
  Mo     -3.781772      2.046109      5.284079
  N      -5.065249      2.088885      6.744245
  C      -4.569433      2.107841      8.123225
  C      -3.224143      1.397311      8.168666
  N      -2.391832      1.827027      7.010681
  C      -1.396715      0.787059      6.621259
  C      -2.079512     -0.317625      5.841527
  C      -1.721920      3.139381      7.233119
  C      -1.505522      3.773205      5.862710
  N      -2.784672      3.808322      5.138369
  H      -1.302072     -0.918068      5.335223
  H      -2.612539     -1.014491      6.519746
  H      -0.650953      1.277336      5.982222
  H      -0.879000      0.398448      7.514081
  H      -1.086730      4.786368      5.979055
  H      -0.763319      3.197604      5.285660
  H      -2.401909      3.768437      7.824343
  H      -0.789560      3.000404      7.807237
  H      -5.275480      1.586206      8.793237
  H      -4.485275      3.145946      8.496417
  H      -3.387506      0.315842      8.068641
  H      -2.690199      1.580244      9.116032
  C      -3.670371     -0.803558      4.092729
  C      -2.853940     -1.269102      2.877617
  C      -2.846602     -0.262524      1.747010
  O      -4.238805     -0.112225      1.320617
  C      -4.475580      0.359556      0.060754
  C      -5.285736     -0.383841     -0.776823
  C      -5.577845      0.103207     -2.068597
  N      -5.129392      1.249754     -2.556865
  C      -4.348212      2.006408     -1.732708
  C      -3.873433      3.258424     -2.193715
  C      -3.119638      4.043659     -1.351418
  C      -2.845754      3.577919     -0.044924
  N      -3.254143      2.412096      0.430621
  C      -3.990306      1.621276     -0.398546
  C      -3.434167      5.116517      5.292885
  C      -4.620468      5.359285      4.368611
  C      -4.180106      5.582467      2.922585
  O      -5.081919      4.994439      1.961834
  C      -6.297963      5.553528      1.778096
  C      -6.755994      6.715984      2.377396
  C      -8.055418      7.178860      2.073597
  N      -8.895274      6.599699      1.232327
  C      -8.450386      5.463167      0.617312
  C      -9.288262      4.813758     -0.321964
  C      -8.841498      3.668667     -0.942129
  C      -7.563715      3.163361     -0.610623
  N      -6.743617      3.733330      0.259248
  C      -7.167237      4.877051      0.859770
  C      -6.502116      2.292235      6.586513
  C      -6.935734      3.761413      6.762547
  C      -8.183762      4.096474      5.963252
  O      -7.908448      3.715873      4.591982
  C      -8.965088      3.510908      3.772122
  C     -10.112055      4.282562      3.757676
  C     -11.134098      3.973332      2.833320
  N     -11.102232      2.965124      1.975921
  C      -9.986009      2.181465      1.993578
  C      -9.906025      1.070225      1.119110
  C      -8.784782      0.270015      1.141867
  C      -7.739041      0.585616      2.035729
  N      -7.769619      1.614205      2.871887
  C      -8.872144      2.411684      2.861124
  H      -3.860404     -1.670987      4.751882
  H      -4.659498     -0.465442      3.751534
  H      -1.811439     -1.465631      3.174737
  H      -3.267691     -2.221891      2.510665
  H      -2.257545     -0.623064      0.890785
  H      -2.456332      0.717069      2.056892
  H      -5.675728     -1.345362     -0.440840
  H      -6.207814     -0.495440     -2.734145
  H      -4.130629      3.569045     -3.207546
  H      -2.739688      5.014204     -1.672793
  H      -2.264079      4.200324      0.641937
  H      -2.679993      5.906615      5.107060
  H      -3.767572      5.269146      6.340250
  H      -5.183480      6.223583      4.748109
  H      -5.317594      4.508664      4.401061
  H      -3.233844      5.056153      2.738637
  H      -4.034359      6.649958      2.692778
  H      -6.142854      7.284124      3.074258
  H      -8.410844      8.092545      2.561637
  H     -10.270548      5.242698     -0.524301
  H      -9.459495      3.142311     -1.670611
  H      -7.203392      2.246900     -1.085838
  H      -7.049192      1.640480      7.292652
  H      -6.779826      1.969572      5.573018
  H      -6.115032      4.405985      6.416263
  H      -7.116080      4.014604      7.818250
  H      -8.412705      5.171967      6.026975
  H      -9.062898      3.527681      6.308237
  H     -10.225081      5.137138      4.424309
  H     -12.027217      4.604954      2.805581
  H     -10.743635      0.882536      0.445479
  H      -8.689534     -0.592723      0.481738
  H      -6.834725     -0.030199      2.057860
  N      -4.934360      2.170479      3.368343
  H      -4.670040      1.403258      2.733143
  H      -4.757138      3.013552      2.807006
  H      -5.977718      2.100344      3.427388
102
Coordinates from ORCA-job orca E -6430.593005524336
  N      -3.049885      0.241323      4.891417
  Mo     -3.793783      2.042604      5.293436
  N      -5.068174      2.106251      6.762270
  C      -4.563380      2.139934      8.137512
  C      -3.224592      1.417887      8.183698
  N      -2.395946      1.825526      7.015181
  C      -1.416215      0.769054      6.631629
  C      -2.117333     -0.333369      5.865205
  C      -1.709466      3.132358      7.218119
  C      -1.497728      3.749304      5.839098
  N      -2.783014      3.793808      5.126192
  H      -1.349836     -0.953208      5.367257
  H      -2.662088     -1.012741      6.551968
  H      -0.665790      1.242197      5.985038
  H      -0.900484      0.382395      7.526465
  H      -1.065350      4.758231      5.941785
  H      -0.768062      3.158015      5.262020
  H      -2.376497      3.775725      7.808648
  H      -0.773614      2.988683      7.785303
  H      -5.269492      1.634228      8.819461
  H      -4.466788      3.182099      8.496179
  H      -3.398006      0.336777      8.098147
  H      -2.683042      1.607819      9.125320
  C      -3.682908     -0.810952      4.092007
  C      -2.847646     -1.263023      2.884925
  C      -2.834492     -0.251282      1.759176
  O      -4.223894     -0.107836      1.321575
  C      -4.457565      0.367592      0.062678
  C      -5.264438     -0.376274     -0.777738
  C      -5.560091      0.114125     -2.067150
  N      -5.118382      1.264949     -2.550892
  C      -4.339163      2.021286     -1.724871
  C      -3.870968      3.276850     -2.182530
  C      -3.117987      4.061808     -1.339526
  C      -2.839144      3.592403     -0.035390
  N      -3.242716      2.423935      0.437816
  C      -3.976812      1.632550     -0.392699
  C      -3.411657      5.112692      5.266225
  C      -4.604444      5.355378      4.350693
  C      -4.175349      5.565148      2.899661
  O      -5.087304      4.973657      1.950930
  C      -6.303293      5.535780      1.778233
  C      -6.755098      6.693729      2.390705
  C      -8.057060      7.159493      2.103058
  N      -8.905378      6.586594      1.266315
  C      -8.466189      5.455944      0.636662
  C      -9.312502      4.816904     -0.301930
  C      -8.870090      3.680901     -0.941199
  C      -7.588459      3.173432     -0.628496
  N      -6.760985      3.732679      0.241490
  C      -7.180373      4.868147      0.860584
  C      -6.506086      2.309456      6.611055
  C      -6.934640      3.783878      6.760399
  C      -8.174852      4.118267      5.946404
  O      -7.909861      3.686618      4.589409
  C      -8.967429      3.488210      3.770997
  C     -10.123802      4.246189      3.774461
  C     -11.146678      3.938375      2.850276
  N     -11.109140      2.943064      1.978667
  C      -9.984541      2.170911      1.980169
  C      -9.898877      1.070209      1.093111
  C      -8.769550      0.281075      1.099811
  C      -7.722306      0.596097      1.991687
  N      -7.759019      1.614243      2.840319
  C      -8.868371      2.401828      2.844026
  H      -3.877347     -1.684099      4.742082
  H      -4.669126     -0.475049      3.740706
  H      -1.807320     -1.452360      3.194047
  H      -3.247988     -2.217287      2.507023
  H      -2.235603     -0.605288      0.907122
  H      -2.452241      0.729186      2.075912
  H      -5.649835     -1.340781     -0.445271
  H      -6.188057     -0.484887     -2.734100
  H      -4.131816      3.589947     -3.194576
  H      -2.741968      5.034662     -1.658390
  H      -2.255760      4.214406      0.650372
  H      -2.649039      5.889357      5.059830
  H      -3.732171      5.286181      6.314329
  H      -5.160205      6.224999      4.728640
  H      -5.305027      4.508276      4.395765
  H      -3.232862      5.033421      2.712382
  H      -4.028212      6.630188      2.659819
  H      -6.134967      7.256156      3.086005
  H      -8.407422      8.069246      2.601772
  H     -10.296857      5.247443     -0.489976
  H      -9.493578      3.163827     -1.671510
  H      -7.231038      2.264595     -1.119924
  H      -7.048913      1.672740      7.333690
  H      -6.790883      1.966227      5.606893
  H      -6.105348      4.417084      6.414706
  H      -7.123611      4.052699      7.810618
  H      -8.378082      5.200520      5.971673
  H      -9.067488      3.583420      6.310445
  H     -10.245760      5.088380      4.454854
  H     -12.047064      4.559992      2.837543
  H     -10.739490      0.880392      0.423952
  H      -8.670056     -0.573127      0.429412
  H      -6.812384     -0.011484      2.003413
  N      -4.950107      2.156732      3.380000
  H      -4.664209      1.405033      2.735655
  H      -4.793571      3.011048      2.829371
  H      -5.991847      2.059912      3.432641
102
Coordinates from ORCA-job orca E -6430.593258922174
  N      -3.074180      0.239823      4.899711
  Mo     -3.800137      2.052351      5.289693
  N      -5.063656      2.133032      6.769133
  C      -4.548630      2.177570      8.139964
  C      -3.217330      1.441826      8.185110
  N      -2.391481      1.828930      7.007840
  C      -1.427833      0.756980      6.629206
  C      -2.148498     -0.340785      5.875278
  C      -1.686887      3.127493      7.197301
  C      -1.480884      3.735996      5.813928
  N      -2.773033      3.791647      5.116120
  H      -1.392626     -0.977286      5.380634
  H      -2.701090     -1.004987      6.570594
  H      -0.673038      1.213856      5.975982
  H      -0.914441      0.369694      7.525158
  H      -1.036747      4.740494      5.908791
  H      -0.764202      3.133383      5.232512
  H      -2.339591      3.783015      7.790401
  H      -0.747368      2.975077      7.755990
  H      -5.254618      1.686314      8.832473
  H      -4.438911      3.222409      8.487245
  H      -3.403176      0.361948      8.111080
  H      -2.668055      1.634963      9.121583
  C      -3.706204     -0.809031      4.094821
  C      -2.863618     -1.263234      2.893237
  C      -2.839122     -0.252352      1.766744
  O      -4.224948     -0.099455      1.322152
  C      -4.450493      0.381455      0.063751
  C      -5.269941     -0.347282     -0.777816
  C      -5.563592      0.153777     -2.063474
  N      -5.107865      1.300972     -2.542797
  C      -4.312940      2.040804     -1.717006
  C      -3.827423      3.291253     -2.170808
  C      -3.055422      4.058433     -1.328502
  C      -2.774603      3.576174     -0.029749
  N      -3.196195      2.413159      0.440604
  C      -3.949855      1.639387     -0.388723
  C      -3.383954      5.118505      5.252708
  C      -4.586730      5.363673      4.350438
  C      -4.173438      5.568738      2.893770
  O      -5.097034      4.978823      1.955448
  C      -6.312384      5.544444      1.788917
  C      -6.760277      6.701404      2.406154
  C      -8.063193      7.168813      2.125477
  N      -8.916180      6.597281      1.292614
  C      -8.480204      5.468907      0.656770
  C      -9.330330      4.834140     -0.281283
  C      -8.888494      3.703890     -0.931306
  C      -7.603842      3.197736     -0.629443
  N      -6.773502      3.752098      0.240925
  C      -7.192695      4.881531      0.871122
  C      -6.504433      2.324156      6.628818
  C      -6.942137      3.799573      6.748620
  C      -8.181269      4.114713      5.923642
  O      -7.924942      3.634672      4.582425
  C      -8.983647      3.438694      3.765659
  C     -10.142775      4.192827      3.774344
  C     -11.164623      3.886848      2.848247
  N     -11.124797      2.896575      1.971372
  C      -9.998869      2.126169      1.969860
  C      -9.911735      1.028515      1.079331
  C      -8.781994      0.239703      1.084577
  C      -7.735955      0.552244      1.978263
  N      -7.774038      1.568049      2.829798
  C      -8.883322      2.355458      2.834622
  H      -3.907973     -1.682449      4.742204
  H      -4.688616     -0.468855      3.737342
  H      -1.825845     -1.453887      3.209890
  H      -3.263247     -2.216526      2.512219
  H      -2.237622     -0.610330      0.918219
  H      -2.452027      0.725794      2.085005
  H      -5.669082     -1.307141     -0.448230
  H      -6.203042     -0.432511     -2.730791
  H      -4.090187      3.614409     -3.179133
  H      -2.665420      5.027133     -1.642800
  H      -2.173233      4.183768      0.653314
  H      -2.616760      5.885668      5.028745
  H      -3.689335      5.303366      6.303298
  H      -5.135395      6.235959      4.732406
  H      -5.288696      4.518357      4.406207
  H      -3.235304      5.032909      2.696642
  H      -4.025305      6.632739      2.650277
  H      -6.136643      7.261597      3.099947
  H      -8.411103      8.077257      2.628239
  H     -10.316292      5.264144     -0.461798
  H      -9.514120      3.190914     -1.662578
  H      -7.245844      2.294004     -1.129942
  H      -7.034807      1.700654      7.371700
  H      -6.797248      1.955554      5.636706
  H      -6.113052      4.429449      6.396843
  H      -7.138784      4.085067      7.792904
  H      -8.374291      5.199097      5.909088
  H      -9.077751      3.602222      6.309415
  H     -10.268976      5.030117      4.459681
  H     -12.066930      4.505757      2.839622
  H     -10.752119      0.839586      0.409694
  H      -8.681937     -0.612541      0.411832
  H      -6.825705     -0.054778      1.990239
  N      -4.963578      2.166451      3.384080
  H      -4.670080      1.425644      2.730471
  H      -4.818910      3.028531      2.842284
  H      -6.004678      2.058526      3.436083
102
Coordinates from ORCA-job orca E -6430.593448818303
  N      -3.103782      0.228948      4.909856
  Mo     -3.810700      2.050534      5.295870
  N      -5.062229      2.154991      6.784623
  C      -4.536390      2.213636      8.150665
  C      -3.214707      1.461249      8.195202
  N      -2.393247      1.824608      7.006900
  C      -1.446895      0.735211      6.632607
  C      -2.186539     -0.357882      5.889938
  C      -1.669289      3.115616      7.177264
  C      -1.468400      3.707979      5.785679
  N      -2.766666      3.775715      5.099168
  H      -1.441469     -1.010683      5.400004
  H      -2.747382     -1.007879      6.592325
  H      -0.687542      1.175385      5.972944
  H      -0.935437      0.348169      7.529926
  H      -1.009232      4.706954      5.866758
  H      -0.765640      3.088963      5.204356
  H      -2.306728      3.785785      7.770784
  H      -0.726310      2.955569      7.728152
  H      -5.242941      1.741384      8.855707
  H      -4.410521      3.261755      8.482613
  H      -3.415353      0.383095      8.134272
  H      -2.655206      1.657498      9.125025
  C      -3.729191     -0.813920      4.091635
  C      -2.875661     -1.260875      2.895026
  C      -2.838134     -0.242459      1.775601
  O      -4.220393     -0.081708      1.321308
  C      -4.438582      0.410654      0.066190
  C      -5.257381     -0.308969     -0.783913
  C      -5.546048      0.203182     -2.066449
  N      -5.086154      1.353323     -2.535215
  C      -4.290872      2.083731     -1.701214
  C      -3.800514      3.336519     -2.143835
  C      -3.027439      4.094396     -1.294013
  C      -2.750770      3.600444      0.001598
  N      -3.177844      2.435406      0.461956
  C      -3.931908      1.670306     -0.375202
  C      -3.354785      5.114137      5.224081
  C      -4.568719      5.365603      4.337948
  C      -4.173460      5.552882      2.873495
  O      -5.110897      4.959597      1.950509
  C      -6.321052      5.535955      1.782312
  C      -6.754813      6.704504      2.387905
  C      -8.054434      7.181750      2.107056
  N      -8.916228      6.609620      1.283492
  C      -8.492757      5.470989      0.656919
  C      -9.352431      4.834702     -0.271422
  C      -8.923578      3.694203     -0.912277
  C      -7.641446      3.180140     -0.611938
  N      -6.802874      3.734891      0.250617
  C      -7.210121      4.873307      0.872700
  C      -6.504209      2.342523      6.651350
  C      -6.942638      3.820361      6.741676
  C      -8.180029      4.118558      5.908359
  O      -7.931475      3.591310      4.584285
  C      -8.991144      3.399670      3.769276
  C     -10.150137      4.154168      3.778275
  C     -11.172080      3.848263      2.851469
  N     -11.131346      2.860146      1.972097
  C     -10.004026      2.091116      1.969104
  C      -9.912192      0.999049      1.072106
  C      -8.779757      0.214014      1.073585
  C      -7.735595      0.524096      1.970837
  N      -7.778208      1.534622      2.828391
  C      -8.889811      2.318587      2.835857
  H      -3.938456     -1.691438      4.731142
  H      -4.707837     -0.470271      3.727301
  H      -1.841145     -1.454964      3.220691
  H      -3.272466     -2.211291      2.503583
  H      -2.231512     -0.597135      0.929288
  H      -2.449421      0.731957      2.102884
  H      -5.660027     -1.270624     -0.463386
  H      -6.184904     -0.376522     -2.740365
  H      -4.060515      3.668337     -3.150243
  H      -2.633535      5.064447     -1.599891
  H      -2.147949      4.200548      0.690327
  H      -2.579726      5.866003      4.976161
  H      -3.640514      5.318367      6.276571
  H      -5.101993      6.246922      4.720822
  H      -5.278756      4.528022      4.412789
  H      -3.241530      5.008276      2.671472
  H      -4.020583      6.613163      2.616555
  H      -6.122745      7.266742      3.072383
  H      -8.390963      8.099753      2.600528
  H     -10.335713      5.271425     -0.451390
  H      -9.557671      3.178817     -1.634803
  H      -7.293130      2.269079     -1.106293
  H      -7.026925      1.735152      7.412620
  H      -6.805321      1.950923      5.670126
  H      -6.111728      4.444063      6.382557
  H      -7.144148      4.124267      7.779936
  H      -8.363250      5.203553      5.855596
  H      -9.080104      3.628054      6.314054
  H     -10.277320      4.991766      4.463051
  H     -12.074101      4.467961      2.843228
  H     -10.750570      0.812584      0.398993
  H      -8.675959     -0.633360      0.394999
  H      -6.822808     -0.079182      1.979996
  N      -4.976698      2.155140      3.390815
  H      -4.664038      1.427843      2.730479
  H      -4.852007      3.025805      2.857533
  H      -6.015555      2.022062      3.437094
102
Coordinates from ORCA-job orca E -6430.593588985716
  N      -3.132691      0.223016      4.919150
  Mo     -3.818631      2.056402      5.290323
  N      -5.056605      2.184740      6.789139
  C      -4.518136      2.258683      8.149300
  C      -3.205376      1.490909      8.193451
  N      -2.389420      1.830534      6.994269
  C      -1.459218      0.725520      6.626036
  C      -2.216417     -0.365234      5.898345
  C      -1.647259      3.113483      7.145491
  C      -1.455381      3.691779      5.746809
  N      -2.761355      3.769444      5.076834
  H      -1.482124     -1.030706      5.409233
  H      -2.779112     -1.002828      6.610603
  H      -0.697557      1.149472      5.958328
  H      -0.948169      0.341082      7.524710
  H      -0.983150      4.685611      5.814009
  H      -0.767670      3.058557      5.162812
  H      -2.268325      3.796799      7.741366
  H      -0.699645      2.945647      7.685893
  H      -5.223788      1.805889      8.867777
  H      -4.376576      3.309930      8.464470
  H      -3.420212      0.414757      8.146515
  H      -2.635642      1.691097      9.116159
  C      -3.760170     -0.817395      4.100255
  C      -2.904497     -1.271659      2.908018
  C      -2.845744     -0.250579      1.791624
  O      -4.222567     -0.068160      1.329307
  C      -4.428439      0.434984      0.076342
  C      -5.256167     -0.267700     -0.779320
  C      -5.533077      0.254449     -2.060206
  N      -5.054221      1.399248     -2.522623
  C      -4.249395      2.112991     -1.683725
  C      -3.737025      3.358896     -2.120826
  C      -2.950536      4.099293     -1.267924
  C      -2.682942      3.594798      0.025571
  N      -3.132608      2.436509      0.481634
  C      -3.899759      1.688061     -0.358796
  C      -3.331530      5.115487      5.196938
  C      -4.555149      5.369046      4.324607
  C      -4.175223      5.543985      2.854449
  O      -5.121996      4.945722      1.944404
  C      -6.333985      5.521457      1.788373
  C      -6.764992      6.683071      2.408639
  C      -8.067467      7.160684      2.142106
  N      -8.934472      6.594651      1.319918
  C      -8.513494      5.463653      0.678115
  C      -9.378242      4.836401     -0.251617
  C      -8.950299      3.706258     -0.911131
  C      -7.664336      3.192717     -0.627338
  N      -6.821858      3.738085      0.237363
  C      -7.228070      4.866611      0.877745
  C      -6.501054      2.359597      6.667502
  C      -6.950311      3.836059      6.733868
  C      -8.189472      4.115076      5.895822
  O      -7.945575      3.563636      4.580981
  C      -9.006134      3.370717      3.767435
  C     -10.171441      4.115640      3.785491
  C     -11.195034      3.805710      2.861890
  N     -11.150569      2.822348      1.977595
  C     -10.016810      2.063019      1.965326
  C      -9.920252      0.976139      1.062677
  C      -8.781012      0.201010      1.054281
  C      -7.734781      0.515744      1.947312
  N      -7.781873      1.521586      2.810174
  C      -8.900269      2.295554      2.827596
  H      -3.978084     -1.692831      4.739890
  H      -4.734617     -0.467447      3.731144
  H      -1.874576     -1.478719      3.240152
  H      -3.310284     -2.216305      2.512070
  H      -2.239343     -0.611938      0.947958
  H      -2.444466      0.716963      2.123700
  H      -5.674963     -1.224199     -0.464293
  H      -6.178973     -0.312251     -2.738414
  H      -3.990478      3.698705     -3.126188
  H      -2.538756      5.063084     -1.569998
  H      -2.067112      4.179840      0.715890
  H      -2.552448      5.856720      4.930587
  H      -3.600995      5.332090      6.251099
  H      -5.079796      6.255225      4.708152
  H      -5.266996      4.534752      4.414731
  H      -3.246472      4.996276      2.646839
  H      -4.023849      6.602114      2.588074
  H      -6.128990      7.239186      3.094679
  H      -8.401961      8.073197      2.646879
  H     -10.363896      5.272612     -0.419170
  H      -9.587719      3.199030     -1.636407
  H      -7.315717      2.290847     -1.137831
  H      -7.009875      1.764502      7.447572
  H      -6.810998      1.945365      5.699001
  H      -6.123003      4.461289      6.369535
  H      -7.157350      4.151228      7.767648
  H      -8.374466      5.198461      5.820908
  H      -9.087759      3.632271      6.314847
  H     -10.304536      4.947224      4.476214
  H     -12.102672      4.417168      2.862106
  H     -10.760740      0.785174      0.393549
  H      -8.673888     -0.642477      0.371425
  H      -6.816940     -0.079697      1.949635
  N      -4.993004      2.150183      3.390715
  H      -4.663667      1.436892      2.723148
  H      -4.892755      3.029139      2.865553
  H      -6.027915      1.989976      3.437103
102
Coordinates from ORCA-job orca E -6430.593685018535
  N      -3.169250      0.222222      4.918935
  Mo     -3.827026      2.067999      5.283235
  N      -5.051838      2.225407      6.789903
  C      -4.501929      2.310209      8.144693
  C      -3.202196      1.520677      8.188271
  N      -2.389760      1.833740      6.979337
  C      -1.481271      0.709019      6.616269
  C      -2.261510     -0.374407      5.901116
  C      -1.624698      3.105570      7.112709
  C      -1.434898      3.667300      5.706982
  N      -2.744880      3.761602      5.046663
  H      -1.541228     -1.057128      5.415072
  H      -2.832783     -0.996198      6.620419
  H      -0.715973      1.114039      5.941088
  H      -0.972420      0.324047      7.515832
  H      -0.943994      4.652889      5.759205
  H      -0.764303      3.015405      5.123849
  H      -2.228703      3.804218      7.708214
  H      -0.675568      2.926183      7.646432
  H      -5.209199      1.879009      8.874645
  H      -4.340685      3.362935      8.444536
  H      -3.436440      0.448100      8.153792
  H      -2.621560      1.720305      9.104163
  C      -3.803479     -0.810743      4.095998
  C      -2.946631     -1.277898      2.909761
  C      -2.860045     -0.255301      1.797060
  O      -4.229490     -0.048870      1.322659
  C      -4.416322      0.472553      0.074514
  C      -5.252423     -0.202829     -0.794727
  C      -5.510971      0.340763     -2.070437
  N      -5.007773      1.481752     -2.515521
  C      -4.194710      2.168962     -1.662781
  C      -3.655648      3.410032     -2.080828
  C      -2.858194      4.123095     -1.214991
  C      -2.605815      3.595632      0.072445
  N      -3.082064      2.441524      0.511531
  C      -3.860549      1.720162     -0.341979
  C      -3.291915      5.117991      5.160138
  C      -4.522618      5.380705      4.300652
  C      -4.159998      5.541438      2.824559
  O      -5.118672      4.936453      1.931436
  C      -6.334478      5.507885      1.788902
  C      -6.764098      6.666636      2.415019
  C      -8.073521      7.135234      2.166864
  N      -8.949153      6.562114      1.358986
  C      -8.529938      5.433347      0.712172
  C      -9.404983      4.796769     -0.201355
  C      -8.978606      3.669094     -0.866084
  C      -7.683058      3.168090     -0.604804
  N      -6.831790      3.721255      0.245924
  C      -7.237191      4.846596      0.891769
  C      -6.498047      2.389759      6.676062
  C      -6.958432      3.863396      6.715296
  C      -8.204836      4.115065      5.879408
  O      -7.966463      3.535744      4.574901
  C      -9.028148      3.335404      3.764192
  C     -10.195609      4.077306      3.781058
  C     -11.219570      3.761867      2.860113
  N     -11.173807      2.776683      1.978203
  C     -10.038018      2.020741      1.966126
  C      -9.939218      0.933983      1.063516
  C      -8.798387      0.161437      1.054440
  C      -7.752679      0.478141      1.947304
  N      -7.801807      1.484259      2.809628
  C      -8.921335      2.256904      2.827242
  H      -4.036608     -1.682674      4.735046
  H      -4.770885     -0.448758      3.720381
  H      -1.923287     -1.503508      3.249901
  H      -3.365420     -2.214803      2.509466
  H      -2.252514     -0.624229      0.957529
  H      -2.445465      0.704290      2.135837
  H      -5.692055     -1.154489     -0.494320
  H      -6.163372     -0.204778     -2.759476
  H      -3.897876      3.767638     -3.082636
  H      -2.425737      5.082124     -1.502471
  H      -1.979727      4.157598      0.772532
  H      -2.505106      5.844694      4.877346
  H      -3.545221      5.347900      6.215319
  H      -5.033377      6.274715      4.684524
  H      -5.240802      4.554381      4.406802
  H      -3.235423      4.989984      2.609589
  H      -4.010471      6.596871      2.547097
  H      -6.122554      7.226595      3.092424
  H      -8.406713      8.045607      2.676010
  H     -10.397225      5.223698     -0.352377
  H      -9.624724      3.154087     -1.577888
  H      -7.334667      2.269498     -1.120780
  H      -6.995472      1.808377      7.473572
  H      -6.814056      1.952729      5.719701
  H      -6.138877      4.489557      6.336144
  H      -7.163688      4.195964      7.743939
  H      -8.398432      5.195115      5.782485
  H      -9.096732      3.635215      6.315290
  H     -10.330961      4.910849      4.468722
  H     -12.128795      4.370689      2.860410
  H     -10.778853      0.742250      0.393684
  H      -8.689529     -0.681490      0.371367
  H      -6.833040     -0.114790      1.948668
  N      -5.015242      2.162387      3.392045
  H      -4.683055      1.454827      2.720003
  H      -4.928300      3.044471      2.870118
  H      -6.048496      1.992767      3.443646
102
Coordinates from ORCA-job orca E -6430.593797761746
  N      -3.200788      0.222535      4.912490
  Mo     -3.832867      2.078861      5.269029
  N      -5.044588      2.260241      6.782833
  C      -4.482184      2.352464      8.132237
  C      -3.194551      1.542930      8.173577
  N      -2.386347      1.835831      6.956617
  C      -1.495414      0.696671      6.595374
  C      -2.293585     -0.380788      5.890734
  C      -1.602324      3.097641      7.076785
  C      -1.417696      3.648752      5.666445
  N      -2.732403      3.756942      5.018219
  H      -1.584570     -1.073216      5.402046
  H      -2.866847     -0.993501      6.616156
  H      -0.729627      1.088324      5.912952
  H      -0.986278      0.310775      7.494274
  H      -0.911747      4.627257      5.706412
  H      -0.763250      2.982848      5.081005
  H      -2.190653      3.807006      7.675169
  H      -0.650815      2.907166      7.602163
  H      -5.190125      1.941222      8.872785
  H      -4.301540      3.405576      8.418439
  H      -3.446722      0.474159      8.147462
  H      -2.603818      1.739362      9.083624
  C      -3.849435     -0.804002      4.093449
  C      -2.998868     -1.288363      2.909293
  C      -2.883459     -0.265202      1.799977
  O      -4.243511     -0.032371      1.311681
  C      -4.405383      0.507594      0.068060
  C      -5.245377     -0.138663     -0.819330
  C      -5.475427      0.425904     -2.091416
  N      -4.941614      1.560478     -2.516542
  C      -4.124929      2.219425     -1.645375
  C      -3.551914      3.452454     -2.041647
  C      -2.747756      4.135914     -1.158044
  C      -2.522541      3.586754      0.125206
  N      -3.032213      2.439683      0.544628
  C      -3.817405      1.747344     -0.326461
  C      -3.263837      5.119620      5.135447
  C      -4.503492      5.393023      4.291553
  C      -4.159626      5.540513      2.809221
  O      -5.126272      4.926334      1.931022
  C      -6.341887      5.498512      1.786495
  C      -6.767973      6.665264      2.399687
  C      -8.076675      7.133791      2.147352
  N      -8.954797      6.552600      1.348047
  C      -8.538951      5.415209      0.714363
  C      -9.415212      4.770407     -0.192165
  C      -8.990073      3.636033     -0.846380
  C      -7.695058      3.136098     -0.580821
  N      -6.842915      3.697194      0.263658
  C      -7.246881      4.828946      0.898439
  C      -6.492967      2.411600      6.681014
  C      -6.967856      3.881359      6.704754
  C      -8.227365      4.107779      5.881764
  O      -7.993128      3.527168      4.576855
  C      -9.059402      3.313193      3.775682
  C     -10.235498      4.041317      3.800457
  C     -11.263764      3.710522      2.890257
  N     -11.214472      2.721585      2.012373
  C     -10.069848      1.979610      1.992799
  C      -9.967480      0.887975      1.096411
  C      -8.817917      0.128435      1.081246
  C      -7.767426      0.462418      1.962279
  N      -7.820102      1.472849      2.819238
  C      -8.948044      2.233022      2.842291
  H      -4.095523     -1.670440      4.735297
  H      -4.811124     -0.429079      3.715999
  H      -1.982319     -1.537725      3.253134
  H      -3.437268     -2.215036      2.506618
  H      -2.275366     -0.643136      0.964780
  H      -2.454547      0.685559      2.145844
  H      -5.709361     -1.083876     -0.536039
  H      -6.130423     -0.096967     -2.795436
  H      -3.774049      3.827252     -3.041747
  H      -2.288966      5.087285     -1.429312
  H      -1.889942      4.123173      0.839409
  H      -2.473370      5.837249      4.840176
  H      -3.501062      5.353842      6.193336
  H      -4.998987      6.294498      4.677570
  H      -5.227784      4.574046      4.414427
  H      -3.237586      4.987676      2.588033
  H      -4.014638      6.593406      2.520114
  H      -6.124160      7.232247      3.068653
  H      -8.407310      8.050983      2.645757
  H     -10.406731      5.197280     -0.347644
  H      -9.636811      3.115789     -1.553630
  H      -7.346768      2.233193     -1.089210
  H      -6.976608      1.839013      7.493248
  H      -6.816147      1.956829      5.735271
  H      -6.161448      4.513711      6.308314
  H      -7.164687      4.224103      7.731745
  H      -8.442866      5.183499      5.783707
  H      -9.105000      3.613049      6.330014
  H     -10.375411      4.874798      4.487133
  H     -12.181018      4.307038      2.897598
  H     -10.812038      0.681124      0.437414
  H      -8.706581     -0.718462      0.403534
  H      -6.841677     -0.121190      1.959901
  N      -5.034825      2.175179      3.386960
  H      -4.690601      1.481022      2.707193
  H      -4.971746      3.064275      2.873811
  H      -6.063120      1.982047      3.443754
102
Coordinates from ORCA-job orca E -6430.593943426882
  N      -3.237623      0.225011      4.903394
  Mo     -3.838767      2.092929      5.249607
  N      -5.037733      2.308362      6.767671
  C      -4.462750      2.411340      8.111669
  C      -3.190361      1.577128      8.154366
  N      -2.385388      1.841774      6.928462
  C      -1.516721      0.683414      6.572781
  C      -2.337575     -0.386426      5.883495
  C      -1.577477      3.090851      7.029111
  C      -1.395266      3.623576      5.611458
  N      -2.713669      3.750003      4.973780
  H      -1.643557     -1.096305      5.398449
  H      -2.919344     -0.981251      6.616984
  H      -0.750090      1.055835      5.880645
  H      -1.007884      0.297977      7.472001
  H      -0.869758      4.592338      5.634498
  H      -0.760364      2.938395      5.026788
  H      -2.147809      3.815831      7.626206
  H      -0.625106      2.888070      7.548366
  H      -5.172584      2.026268      8.864157
  H      -4.258639      3.464786      8.379122
  H      -3.464290      0.513422      8.140527
  H      -2.589007      1.771303      9.057947
  C      -3.906563     -0.794264      4.092106
  C      -3.066694     -1.304330      2.910855
  C      -2.913539     -0.283780      1.804092
  O      -4.261626     -0.012179      1.302091
  C      -4.394245      0.548694      0.064306
  C      -5.241350     -0.061857     -0.841357
  C      -5.436036      0.522962     -2.110478
  N      -4.861961      1.644611     -2.516595
  C      -4.038676      2.269570     -1.626915
  C      -3.422265      3.488221     -2.002261
  C      -2.610301      4.138180     -1.100572
  C      -2.422022      3.570721      0.180682
  N      -2.973497      2.436094      0.581097
  C      -3.764666      1.774975     -0.308724
  C      -3.226786      5.118703      5.106589
  C      -4.477885      5.408747      4.286034
  C      -4.159731      5.556174      2.797929
  O      -5.131623      4.928795      1.934282
  C      -6.354118      5.489522      1.801562
  C      -6.784967      6.651537      2.419960
  C      -8.100385      7.108222      2.180313
  N      -8.980489      6.520269      1.388256
  C      -8.560138      5.387668      0.748902
  C      -9.439526      4.735086     -0.148912
  C      -9.011171      3.603989     -0.806556
  C      -7.708780      3.116135     -0.554755
  N      -6.852760      3.685651      0.280208
  C      -7.260847      4.813152      0.919936
  C      -6.487517      2.450040      6.674217
  C      -6.972113      3.915945      6.672189
  C      -8.247363      4.109575      5.867433
  O      -8.018489      3.513730      4.568432
  C      -9.088477      3.282275      3.778194
  C     -10.271973      3.998241      3.806031
  C     -11.303333      3.650107      2.906192
  N     -11.249276      2.655930      2.033980
  C     -10.096865      1.926419      2.011415
  C      -9.988494      0.831004      1.120229
  C      -8.830913      0.084090      1.101558
  C      -7.778276      0.434080      1.974259
  N      -7.835993      1.448435      2.826071
  C      -8.972056      2.196704      2.852142
  H      -4.170726     -1.651220      4.739717
  H      -4.860336     -0.402361      3.711834
  H      -2.059861     -1.586174      3.258337
  H      -3.532573     -2.216965      2.506905
  H      -2.308607     -0.676773      0.973412
  H      -2.462434      0.654021      2.156323
  H      -5.736511     -0.996218     -0.575213
  H      -6.095732      0.026824     -2.829504
  H      -3.618326      3.878881     -3.001801
  H      -2.117966      5.076961     -1.357048
  H      -1.784400      4.079665      0.910655
  H      -2.432723      5.827728      4.800196
  H      -3.442789      5.351622      6.169321
  H      -4.956667      6.314075      4.683857
  H      -5.207092      4.595747      4.421740
  H      -3.235368      5.013189      2.563644
  H      -4.031539      6.609906      2.503791
  H      -6.139970      7.223906      3.083230
  H      -8.434520      8.022222      2.682393
  H     -10.436762      5.152427     -0.293875
  H      -9.661627      3.076800     -1.505352
  H      -7.358260      2.214920     -1.064522
  H      -6.961963      1.891772      7.501683
  H      -6.815688      1.974275      5.740616
  H      -6.180362      4.547519      6.245435
  H      -7.152389      4.281763      7.694469
  H      -8.484737      5.179725      5.760154
  H      -9.109045      3.603629      6.333980
  H     -10.415637      4.835494      4.487535
  H     -12.227075      4.236628      2.915878
  H     -10.835183      0.611430      0.468053
  H      -8.715104     -0.765804      0.428168
  H      -6.846759     -0.139950      1.968661
  N      -5.056204      2.185432      3.375321
  H      -4.702470      1.497318      2.694239
  H      -5.012185      3.076420      2.862336
  H      -6.080227      1.974329      3.438908
102
Coordinates from ORCA-job orca E -6430.594107340075
  N      -3.271865      0.230664      4.888740
  Mo     -3.842757      2.108275      5.225232
  N      -5.030699      2.354126      6.745780
  C      -4.443965      2.464047      8.085145
  C      -3.184667      1.609091      8.128207
  N      -2.382741      1.849996      6.895349
  C      -1.534157      0.675315      6.543353
  C      -2.375347     -0.387893      5.868377
  C      -1.554409      3.087632      6.979132
  C      -1.374051      3.603714      5.555124
  N      -2.694738      3.746269      4.925426
  H      -1.695004     -1.112069      5.385244
  H      -2.963275     -0.966697      6.609657
  H      -0.768782      1.030904      5.841089
  H      -1.023909      0.290066      7.441862
  H      -0.831359      4.563330      5.562597
  H      -0.756666      2.901550      4.971754
  H      -2.109264      3.826120      7.574308
  H      -0.601655      2.874383      7.493670
  H      -5.154556      2.100833      8.847457
  H      -4.219452      3.516955      8.336789
  H      -3.476674      0.550095      8.124155
  H      -2.574804      1.800883      9.026685
  C      -3.970216     -0.781035      4.093195
  C      -3.151624     -1.320913      2.909883
  C      -2.959185     -0.304236      1.805672
  O      -4.292854      0.016371      1.292802
  C      -4.390253      0.604030      0.063911
  C      -5.239578      0.035556     -0.866820
  C      -5.388170      0.643526     -2.131741
  N      -4.767265      1.749146     -2.511839
  C      -3.942348      2.334498     -1.597060
  C      -3.274641      3.534407     -1.944470
  C      -2.459995      4.145360     -1.018034
  C      -2.323064      3.559668      0.261369
  N      -2.923361      2.440715      0.635952
  C      -3.714599      1.815157     -0.279260
  C      -3.191991      5.120339      5.069410
  C      -4.446838      5.427517      4.261589
  C      -4.145621      5.571775      2.769576
  O      -5.120701      4.930749      1.919010
  C      -6.349940      5.479765      1.798931
  C      -6.783534      6.638923      2.420421
  C      -8.106458      7.082464      2.196954
  N      -8.991202      6.484361      1.417744
  C      -8.569226      5.353391      0.776408
  C      -9.455855      4.687756     -0.104535
  C      -9.028297      3.554441     -0.758873
  C      -7.718836      3.078330     -0.521515
  N      -6.854220      3.662421      0.294367
  C      -7.262231      4.791378      0.931958
  C      -6.482669      2.481829      6.661235
  C      -6.984042      3.940726      6.645033
  C      -8.276635      4.101603      5.862477
  O      -8.050733      3.506216      4.562797
  C      -9.124793      3.252757      3.785619
  C     -10.316399      3.954805      3.818073
  C     -11.351974      3.586774      2.931370
  N     -11.293906      2.585534      2.066938
  C     -10.133795      1.868576      2.041241
  C     -10.021766      0.765438      1.159879
  C      -8.856302      0.031141      1.137810
  C      -7.799342      0.401474      1.997263
  N      -7.859970      1.423394      2.839671
  C      -9.004205      2.159351      2.869299
  H      -4.250662     -1.625885      4.750107
  H      -4.916903     -0.369889      3.715542
  H      -2.155853     -1.641937      3.255403
  H      -3.652726     -2.214891      2.505909
  H      -2.362321     -0.715162      0.977650
  H      -2.479707      0.616489      2.164356
  H      -5.769497     -0.886237     -0.624392
  H      -6.048769      0.178833     -2.870962
  H      -3.433847      3.942115     -2.943893
  H      -1.927515      5.067565     -1.254718
  H      -1.686097      4.037564      1.012952
  H      -2.391995      5.820603      4.757911
  H      -3.395194      5.352780      6.134863
  H      -4.909468      6.338877      4.665235
  H      -5.183734      4.622794      4.405586
  H      -3.218578      5.037365      2.527297
  H      -4.032617      6.625490      2.469245
  H      -6.135027      7.218761      3.074214
  H      -8.442625      7.994897      2.700841
  H     -10.458730      5.095686     -0.237935
  H      -9.685229      3.016494     -1.443476
  H      -7.369844      2.172774     -1.024690
  H      -6.947434      1.928695      7.497609
  H      -6.811885      1.992055      5.735537
  H      -6.211593      4.575948      6.189023
  H      -7.145933      4.323779      7.664336
  H      -8.541922      5.165425      5.758191
  H      -9.118631      3.574552      6.341690
  H     -10.462461      4.796834      4.493497
  H     -12.282649      4.162432      2.943706
  H     -10.872632      0.529421      0.518785
  H      -8.737751     -0.824795      0.472312
  H      -6.861968     -0.162793      1.987913
  N      -5.077407      2.200179      3.360951
  H      -4.721874      1.510024      2.682894
  H      -5.041931      3.088792      2.841825
  H      -6.098923      1.982935      3.435217
102
Coordinates from ORCA-job orca E -6430.594272518138
  N      -3.297572      0.238165      4.874061
  Mo     -3.843610      2.124212      5.201353
  N      -5.024842      2.392840      6.722656
  C      -4.430141      2.508278      8.058727
  C      -3.180591      1.638973      8.103815
  N      -2.379738      1.860816      6.866670
  C      -1.548559      0.672244      6.519457
  C      -2.407394     -0.385256      5.857126
  C      -1.535206      3.088657      6.936891
  C      -1.356093      3.592067      5.508073
  N      -2.677975      3.748978      4.884234
  H      -1.739150     -1.124160      5.379480
  H      -3.002702     -0.946889      6.605646
  H      -0.782936      1.011596      5.809447
  H      -1.038487      0.287449      7.418311
  H      -0.799934      4.544098      5.505009
  H      -0.752158      2.877104      4.926003
  H      -2.077424      3.838346      7.529775
  H      -0.582515      2.867102      7.448208
  H      -5.141215      2.161577      8.828028
  H      -4.190608      3.560676      8.298059
  H      -3.484671      0.583399      8.107814
  H      -2.566085      1.830494      8.999307
  C      -4.019067     -0.769742      4.094187
  C      -3.216094     -1.342788      2.915407
  C      -2.987009     -0.339031      1.807063
  O      -4.307223      0.022646      1.285785
  C      -4.375525      0.631448      0.065276
  C      -5.231193      0.102921     -0.883001
  C      -5.350370      0.735604     -2.139260
  N      -4.694542      1.828834     -2.495592
  C      -3.862147      2.375375     -1.563557
  C      -3.153709      3.558717     -1.886354
  C      -2.329866      4.130681     -0.943094
  C      -2.226428      3.524301      0.329644
  N      -2.865699      2.419260      0.681436
  C      -3.663725      1.829477     -0.251536
  C      -3.161129      5.127653      5.034139
  C      -4.420250      5.448455      4.238436
  C      -4.137478      5.591212      2.742278
  O      -5.119122      4.940294      1.905918
  C      -6.354109      5.480170      1.804187
  C      -6.786228      6.636330      2.432263
  C      -8.116435      7.069080      2.231205
  N      -9.009070      6.464069      1.466407
  C      -8.589328      5.335571      0.819025
  C      -9.486326      4.661151     -0.044531
  C      -9.063381      3.526574     -0.699827
  C      -7.747686      3.058798     -0.481178
  N      -6.872171      3.652488      0.315999
  C      -7.276025      4.782574      0.954703
  C      -6.478697      2.506703      6.642851
  C      -6.995586      3.959193      6.616032
  C      -8.300696      4.095674      5.849837
  O      -8.080326      3.494807      4.552146
  C      -9.157019      3.223011      3.785521
  C     -10.357981      3.908417      3.826157
  C     -11.395826      3.523675      2.949064
  N     -11.331047      2.521764      2.085842
  C     -10.161600      1.820064      2.052916
  C     -10.041719      0.716986      1.172444
  C      -8.866398     -0.001095      1.141890
  C      -7.807351      0.385829      1.991722
  N      -7.874815      1.408579      2.832561
  C      -9.029120      2.128251      2.870890
  H      -4.315537     -1.599904      4.762758
  H      -4.958278     -0.344233      3.713916
  H      -2.232014     -1.695521      3.263740
  H      -3.746060     -2.221932      2.515176
  H      -2.398735     -0.771704      0.983879
  H      -2.481884      0.567542      2.166039
  H      -5.789751     -0.807172     -0.661000
  H      -6.017577      0.302131     -2.891560
  H      -3.288546      3.985125     -2.881691
  H      -1.764923      5.037977     -1.161958
  H      -1.583975      3.972008      1.095327
  H      -2.356424      5.819634      4.715918
  H      -3.352015      5.362332      6.101457
  H      -4.868162      6.364962      4.647583
  H      -5.164196      4.651528      4.390113
  H      -3.209113      5.064250      2.489620
  H      -4.038615      6.644890      2.437102
  H      -6.131059      7.221317      3.075109
  H      -8.451193      7.979327      2.740183
  H     -10.493880      5.062343     -0.162979
  H      -9.728803      2.981106     -1.370287
  H      -7.402550      2.149924     -0.981436
  H      -6.936806      1.954697      7.483640
  H      -6.804777      2.006737      5.721389
  H      -6.237788      4.595778      6.138012
  H      -7.144054      4.356029      7.632206
  H      -8.582054      5.155027      5.742077
  H      -9.129813      3.559264      6.341087
  H     -10.508809      4.751085      4.499837
  H     -12.333901      4.087260      2.966811
  H     -10.894667      0.468258      0.538748
  H      -8.741624     -0.856722      0.476950
  H      -6.862241     -0.165134      1.974172
  N      -5.091460      2.220029      3.346025
  H      -4.729097      1.536502      2.664873
  H      -5.066124      3.110498      2.828632
  H      -6.109731      1.991654      3.424454
102
Coordinates from ORCA-job orca E -6430.594440521993
  N      -3.321373      0.244756      4.863938
  Mo     -3.842927      2.137732      5.183188
  N      -5.022163      2.425265      6.703105
  C      -4.423518      2.545098      8.037359
  C      -3.181501      1.665654      8.087580
  N      -2.378977      1.868675      6.848605
  C      -1.566055      0.665782      6.507658
  C      -2.442629     -0.384148      5.854826
  C      -1.518746      3.085890      6.906590
  C      -1.338133      3.577969      5.473109
  N      -2.659166      3.750864      4.851820
  H      -1.787108     -1.140136      5.386552
  H      -3.049083     -0.925092      6.609479
  H      -0.797119      0.986772      5.792679
  H      -1.059349      0.279613      7.407898
  H      -0.769101      4.522444      5.464378
  H      -0.745152      2.851732      4.893495
  H      -2.048892      3.847881      7.494808
  H      -0.567120      2.856756      7.416567
  H      -5.135525      2.211216      8.811204
  H      -4.172686      3.597234      8.266856
  H      -3.493021      0.612480      8.100799
  H      -2.566627      1.860637      8.982156
  C      -4.061935     -0.760119      4.097090
  C      -3.269843     -1.365679      2.927083
  C      -3.004131     -0.379345      1.811419
  O      -4.310832      0.020266      1.282783
  C      -4.355344      0.646387      0.069670
  C      -5.208954      0.143813     -0.894393
  C      -5.314371      0.799962     -2.139735
  N      -4.644069      1.891733     -2.472379
  C      -3.810260      2.411492     -1.526265
  C      -3.081498      3.588195     -1.826438
  C      -2.256696      4.134499     -0.868647
  C      -2.174776      3.510826      0.396962
  N      -2.832872      2.409680      0.727022
  C      -3.628867      1.842619     -0.221414
  C      -3.125026      5.135966      4.992149
  C      -4.384969      5.467535      4.201940
  C      -4.117535      5.601314      2.701057
  O      -5.113108      4.948768      1.881559
  C      -6.353494      5.481668      1.808931
  C      -6.782888      6.628314      2.456644
  C      -8.122167      7.047926      2.291226
  N      -9.025388      6.439636      1.541387
  C      -8.608280      5.322182      0.873370
  C      -9.516016      4.648867      0.020322
  C      -9.094927      3.526681     -0.657705
  C      -7.771220      3.069041     -0.469114
  N      -6.885596      3.661464      0.317478
  C      -7.287072      4.781167      0.975931
  C      -6.477046      2.531996      6.623146
  C      -6.999544      3.981700      6.580769
  C      -8.309697      4.107505      5.818265
  O      -8.102663      3.476807      4.533779
  C      -9.182892      3.188958      3.779093
  C     -10.394648      3.854486      3.832813
  C     -11.434531      3.453092      2.965051
  N     -11.363431      2.452417      2.101625
  C     -10.183783      1.767538      2.058188
  C     -10.057211      0.663502      1.180104
  C      -8.871245     -0.036937      1.138618
  C      -7.808991      0.368882      1.975202
  N      -7.883143      1.393026      2.813997
  C      -9.047688      2.094808      2.862997
  H      -4.374467     -1.575187      4.776562
  H      -4.992906     -0.322767      3.710493
  H      -2.298554     -1.745967      3.282252
  H      -3.824040     -2.231300      2.529626
  H      -2.425780     -0.837165      0.994944
  H      -2.473256      0.513255      2.167725
  H      -5.780582     -0.762831     -0.692263
  H      -5.983886      0.388485     -2.902094
  H      -3.200142      4.030863     -2.816751
  H      -1.674543      5.034747     -1.070581
  H      -1.534578      3.941184      1.174388
  H      -2.313588      5.815145      4.663187
  H      -3.306054      5.383850      6.058251
  H      -4.816569      6.392797      4.609469
  H      -5.139631      4.683168      4.362225
  H      -3.193064      5.071841      2.439811
  H      -4.022861      6.652776      2.388076
  H      -6.119435      7.213403      3.090698
  H      -8.455388      7.948863      2.817384
  H     -10.528874      5.042642     -0.074994
  H      -9.766194      2.984845     -1.325044
  H      -7.425690      2.169390     -0.986171
  H      -6.935497      1.981938      7.464910
  H      -6.796945      2.024108      5.703828
  H      -6.245127      4.608760      6.085733
  H      -7.139266      4.395113      7.591268
  H      -8.581345      5.166563      5.684248
  H      -9.141478      3.590872      6.325685
  H     -10.551472      4.694374      4.508211
  H     -12.380880      4.002303      2.992027
  H     -10.913693      0.399277      0.557498
  H      -8.741127     -0.892679      0.474997
  H      -6.855698     -0.167724      1.948896
  N      -5.096686      2.241213      3.335433
  H      -4.727161      1.565717      2.650006
  H      -5.070665      3.134589      2.823615
  H      -6.113617      2.007461      3.409596
102
Coordinates from ORCA-job orca E -6430.594629414859
  N      -3.356909      0.244952      4.853126
  Mo     -3.849122      2.148195      5.159011
  N      -5.013695      2.461965      6.684308
  C      -4.402982      2.592453      8.011725
  C      -3.173466      1.695417      8.063777
  N      -2.377161      1.873088      6.816663
  C      -1.584858      0.654828      6.481312
  C      -2.480556     -0.387844      5.843046
  C      -1.498062      3.077192      6.855668
  C      -1.324875      3.556287      5.416653
  N      -2.649166      3.745010      4.807895
  H      -1.838902     -1.156380      5.376229
  H      -3.088366     -0.914876      6.606317
  H      -0.815469      0.958630      5.759388
  H      -1.078133      0.268999      7.381597
  H      -0.741606      4.491875      5.396374
  H      -0.748602      2.817079      4.836757
  H      -2.009753      3.851686      7.443889
  H      -0.544624      2.837389      7.357007
  H      -5.113112      2.279635      8.795938
  H      -4.135196      3.643721      8.224800
  H      -3.500406      0.647160      8.090817
  H      -2.549274      1.891216      8.951617
  C      -4.112235     -0.754034      4.093834
  C      -3.328989     -1.382769      2.931068
  C      -3.029876     -0.403134      1.818323
  O      -4.322517      0.029388      1.281745
  C      -4.339478      0.677767      0.080076
  C      -5.191726      0.213449     -0.903832
  C      -5.269075      0.898412     -2.135526
  N      -4.571657      1.982108     -2.437229
  C      -3.736888      2.462517     -1.471586
  C      -2.977342      3.627673     -1.738383
  C      -2.149310      4.132669     -0.760559
  C      -2.094599      3.479010      0.491305
  N      -2.782890      2.387894      0.790420
  C      -3.582670      1.862009     -0.178053
  C      -3.094238      5.136096      4.948856
  C      -4.364612      5.478884      4.180364
  C      -4.122618      5.605728      2.673985
  O      -5.127531      4.946273      1.871416
  C      -6.370479      5.475103      1.809679
  C      -6.797293      6.624395      2.454106
  C      -8.139779      7.037627      2.299876
  N      -9.048477      6.420455      1.564107
  C      -8.633394      5.301470      0.897672
  C      -9.546126      4.620426      0.056311
  C      -9.125605      3.499118     -0.623622
  C      -7.797179      3.050416     -0.448651
  N      -6.907986      3.648669      0.329323
  C      -7.308980      4.767393      0.988993
  C      -6.468697      2.562812      6.613054
  C      -6.996936      4.009716      6.549242
  C      -8.315803      4.114775      5.799197
  O      -8.119626      3.462093      4.523828
  C      -9.205643      3.158071      3.784000
  C     -10.425238      3.808412      3.849339
  C     -11.469877      3.389488      2.995893
  N     -11.395558      2.386807      2.135304
  C     -10.206569      1.719249      2.078497
  C     -10.073783      0.617203      1.199070
  C      -8.877751     -0.065117      1.143279
  C      -7.811887      0.356516      1.967131
  N      -7.891784      1.379450      2.807065
  C      -9.066244      2.063560      2.869525
  H      -4.439463     -1.557975      4.779755
  H      -5.034987     -0.304465      3.701693
  H      -2.370660     -1.788958      3.292592
  H      -3.903539     -2.233697      2.531422
  H      -2.458285     -0.874601      1.004882
  H      -2.479489      0.475352      2.180490
  H      -5.785406     -0.684234     -0.727677
  H      -5.938718      0.518115     -2.913619
  H      -3.075022      4.094426     -2.719716
  H      -1.543116      5.022131     -0.936699
  H      -1.451908      3.876151      1.284003
  H      -2.280881      5.804259      4.602597
  H      -3.254110      5.390887      6.016665
  H      -4.778422      6.409509      4.593486
  H      -5.124408      4.703272      4.358258
  H      -3.201693      5.076802      2.400393
  H      -4.035198      6.655566      2.353639
  H      -6.129764      7.216405      3.076723
  H      -8.471214      7.940189      2.824036
  H     -10.561964      5.008274     -0.029667
  H      -9.800612      2.951528     -1.282191
  H      -7.450542      2.153643     -0.969599
  H      -6.918198      2.025766      7.467908
  H      -6.794447      2.038010      5.705050
  H      -6.250742      4.631472      6.035038
  H      -7.128151      4.439656      7.553771
  H      -8.595173      5.169442      5.647103
  H      -9.138513      3.604343      6.327228
  H     -10.585737      4.648529      4.523353
  H     -12.423506      3.925098      3.033727
  H     -10.932879      0.341032      0.585608
  H      -8.742589     -0.918659      0.478035
  H      -6.850719     -0.165401      1.929118
  N      -5.114434      2.250610      3.320064
  H      -4.741205      1.580578      2.631138
  H      -5.097868      3.146044      2.812313
  H      -6.128551      2.006812      3.396100
102
Coordinates from ORCA-job orca E -6430.594802939820
  N      -3.383417      0.244085      4.839534
  Mo     -3.854534      2.154852      5.133317
  N      -5.005261      2.482961      6.665920
  C      -4.383066      2.621400      7.986567
  C      -3.158669      1.717145      8.037039
  N      -2.371682      1.879157      6.781958
  C      -1.592082      0.652460      6.447397
  C      -2.500233     -0.387723      5.823261
  C      -1.482830      3.076085      6.804644
  C      -1.321633      3.548155      5.361362
  N      -2.650290      3.745127      4.765841
  H      -1.867706     -1.161894      5.353581
  H      -3.102063     -0.908321      6.595524
  H      -0.825848      0.946869      5.718346
  H      -1.080772      0.267780      7.345524
  H      -0.730964      4.479047      5.333453
  H      -0.756210      2.802575      4.778980
  H      -1.980707      3.858013      7.395007
  H      -0.525269      2.831306      7.295418
  H      -5.088277      2.319685      8.779559
  H      -4.107446      3.672723      8.188521
  H      -3.491761      0.671156      8.076535
  H      -2.526186      1.916977      8.918002
  C      -4.155538     -0.753423      4.096181
  C      -3.386760     -1.406073      2.937603
  C      -3.056293     -0.437362      1.823561
  O      -4.333264      0.029710      1.279374
  C      -4.320061      0.701975      0.090723
  C      -5.163181      0.273843     -0.916591
  C      -5.210756      0.989404     -2.132312
  N      -4.490203      2.067207     -2.398288
  C      -3.660748      2.509209     -1.410338
  C      -2.875150      3.665215     -1.638520
  C      -2.051630      4.130395     -0.637229
  C      -2.028263      3.446395      0.599930
  N      -2.741665      2.362556      0.862656
  C      -3.537095      1.876324     -0.129481
  C      -3.082188      5.139354      4.904078
  C      -4.360290      5.488292      4.151172
  C      -4.133979      5.614135      2.642417
  O      -5.139381      4.945677      1.848027
  C      -6.384269      5.470280      1.792602
  C      -6.806370      6.624575      2.430739
  C      -8.150848      7.034271      2.286356
  N      -9.066172      6.408478      1.566426
  C      -8.655917      5.285029      0.904861
  C      -9.576571      4.595339      0.079619
  C      -9.161290      3.470257     -0.596965
  C      -7.829645      3.026451     -0.434530
  N      -6.933789      3.631572      0.330598
  C      -7.329492      4.754488      0.986065
  C      -6.460740      2.577607      6.607158
  C      -6.995004      4.022048      6.535866
  C      -8.319617      4.113525      5.794898
  O      -8.130707      3.448958      4.524628
  C      -9.222458      3.136260      3.797248
  C     -10.444812      3.780560      3.871100
  C     -11.494453      3.352651      3.028186
  N     -11.421433      2.348497      2.169406
  C     -10.228106      1.689645      2.102144
  C     -10.094207      0.590160      1.219969
  C      -8.893284     -0.082179      1.152833
  C      -7.824036      0.346002      1.968574
  N      -7.904693      1.366797      2.811450
  C      -9.083927      2.041581      2.883908
  H      -4.489976     -1.545230      4.792927
  H      -5.073587     -0.295577      3.703335
  H      -2.441213     -1.837845      3.303051
  H      -3.983780     -2.241772      2.539249
  H      -2.495454     -0.926821      1.013192
  H      -2.484248      0.426340      2.187338
  H      -5.774842     -0.617120     -0.770948
  H      -5.874815      0.639398     -2.929018
  H      -2.949353      4.156989     -2.609527
  H      -1.425612      5.011557     -0.783701
  H      -1.392648      3.813072      1.412535
  H      -2.269071      5.800420      4.543646
  H      -3.227123      5.401653      5.972373
  H      -4.762921      6.421052      4.570179
  H      -5.123666      4.717832      4.338383
  H      -3.212152      5.091055      2.362458
  H      -4.056164      6.663731      2.318492
  H      -6.133523      7.223654      3.040602
  H      -8.478565      7.940744      2.805799
  H     -10.594413      4.979780      0.003107
  H      -9.842701      2.915790     -1.242880
  H      -7.486157      2.128233     -0.955116
  H      -6.899147      2.045169      7.470615
  H      -6.794295      2.045313      5.706216
  H      -6.254794      4.641914      6.010685
  H      -7.121428      4.458580      7.537950
  H      -8.605544      5.164830      5.631232
  H      -9.134743      3.606186      6.337433
  H     -10.604022      4.622470      4.543134
  H     -12.451196      3.881931      3.074304
  H     -10.955541      0.308976      0.612185
  H      -8.756869     -0.933182      0.484682
  H      -6.859202     -0.167840      1.921057
  N      -5.131511      2.253870      3.305126
  H      -4.754814      1.588712      2.613253
  H      -5.121969      3.152327      2.802603
  H      -6.143112      2.000142      3.382031
102
Coordinates from ORCA-job orca E -6430.594965842793
  N      -3.421505      0.247509      4.823385
  Mo     -3.862923      2.166425      5.105697
  N      -4.997396      2.518393      6.644249
  C      -4.362002      2.664673      7.957722
  C      -3.147557      1.746135      8.007830
  N      -2.369925      1.884382      6.744037
  C      -1.611122      0.643522      6.412599
  C      -2.539300     -0.388828      5.804929
  C      -1.463744      3.068409      6.746972
  C      -1.310986      3.526610      5.297990
  N      -2.642396      3.739326      4.714747
  H      -1.921777     -1.175641      5.336425
  H      -3.141810     -0.894756      6.586387
  H      -0.847417      0.921881      5.674714
  H      -1.097141      0.258481      7.309013
  H      -0.706184      4.448047      5.257383
  H      -0.762957      2.768170      4.715519
  H      -1.943359      3.862615      7.336099
  H      -0.504236      2.814097      7.228992
  H      -5.063366      2.380232      8.760406
  H      -4.072486      3.714774      8.145322
  H      -3.493163      0.704882      8.062695
  H      -2.504708      1.948133      8.880717
  C      -4.216463     -0.741650      4.093354
  C      -3.467051     -1.422555      2.938234
  C      -3.096792     -0.467638      1.824584
  O      -4.351470      0.043777      1.268797
  C      -4.298783      0.740977      0.095098
  C      -5.129950      0.354835     -0.938440
  C      -5.137551      1.100181     -2.137229
  N      -4.388657      2.167459     -2.363558
  C      -3.569253      2.567378     -1.349940
  C      -2.752911      3.709774     -1.535531
  C      -1.938654      4.132123     -0.507976
  C      -1.957070      3.420672      0.713840
  N      -2.700713      2.348389      0.936959
  C      -3.485622      1.902386     -0.082319
  C      -3.052967      5.139962      4.851770
  C      -4.337933      5.503635      4.117604
  C      -4.133702      5.628139      2.605571
  O      -5.143773      4.948718      1.826403
  C      -6.393565      5.463353      1.785223
  C      -6.815863      6.616995      2.424177
  C      -8.165297      7.015715      2.295991
  N      -9.085538      6.379398      1.591735
  C      -8.675661      5.256183      0.929610
  C      -9.602277      4.555089      0.120897
  C      -9.187518      3.430230     -0.556379
  C      -7.850099      2.997946     -0.410940
  N      -6.948750      3.613863      0.338848
  C      -7.344063      4.736587      0.994618
  C      -6.453602      2.607644      6.596483
  C      -6.994431      4.048719      6.506663
  C      -8.327245      4.121494      5.778115
  O      -8.147288      3.437768      4.516396
  C      -9.243981      3.108510      3.803889
  C     -10.473394      3.737760      3.890582
  C     -11.528651      3.291681      3.064510
  N     -11.454599      2.283224      2.210816
  C     -10.254081      1.639217      2.131080
  C     -10.118909      0.535476      1.254417
  C      -8.910635     -0.122040      1.174531
  C      -7.835663      0.324517      1.972513
  N      -7.917458      1.349406      2.810499
  C      -9.103799      2.010383      2.894948
  H      -4.564529     -1.519452      4.799318
  H      -5.125891     -0.268190      3.699502
  H      -2.538798     -1.887156      3.307522
  H      -4.092134     -2.237547      2.540055
  H      -2.548576     -0.978165      1.018409
  H      -2.498856      0.376121      2.192179
  H      -5.763678     -0.525465     -0.826457
  H      -5.792941      0.784207     -2.955036
  H      -2.796322      4.225438     -2.495913
  H      -1.289268      5.001058     -0.621964
  H      -1.331465      3.754067      1.548379
  H      -2.237135      5.788642      4.475143
  H      -3.177740      5.410264      5.920824
  H      -4.723544      6.440693      4.543174
  H      -5.106951      4.742075      4.316883
  H      -3.211676      5.112421      2.313619
  H      -4.068947      6.677486      2.278160
  H      -6.139539      7.223987      3.022312
  H      -8.493009      7.922243      2.815303
  H     -10.624329      4.930629      0.057586
  H      -9.873772      2.867034     -1.189409
  H      -7.506670      2.100096     -0.932511
  H      -6.882615      2.086897      7.471664
  H      -6.793275      2.060966      5.706570
  H      -6.262703      4.662564      5.963057
  H      -7.112284      4.500749      7.502847
  H      -8.621335      5.168127      5.600080
  H      -9.133208      3.618560      6.338133
  H     -10.634596      4.581186      4.560168
  H     -12.491634      3.808410      3.121506
  H     -10.985165      0.239049      0.661071
  H      -8.772968     -0.975775      0.510124
  H      -6.865202     -0.177595      1.914662
  N      -5.154387      2.266971      3.290851
  H      -4.779403      1.600818      2.599062
  H      -5.146574      3.166005      2.789676
  H      -6.165096      2.011062      3.372559
102
Coordinates from ORCA-job orca E -6430.595064781636
  N      -3.460418      0.252348      4.800551
  Mo     -3.877302      2.176701      5.079025
  N      -4.994856      2.539556      6.626948
  C      -4.346854      2.688390      7.933647
  C      -3.135712      1.764009      7.978163
  N      -2.371597      1.886805      6.704710
  C      -1.629733      0.636328      6.369034
  C      -2.575089     -0.388759      5.775765
  C      -1.453632      3.061718      6.691729
  C      -1.312003      3.512067      5.238887
  N      -2.646793      3.737859      4.669148
  H      -1.970599     -1.184319      5.304862
  H      -3.174612     -0.885337      6.565614
  H      -0.870984      0.905247      5.622629
  H      -1.109979      0.248308      7.260856
  H      -0.696047      4.425906      5.189194
  H      -0.778814      2.745277      4.653240
  H      -1.918259      3.864087      7.281714
  H      -0.490630      2.800924      7.163442
  H      -5.042035      2.410321      8.743977
  H      -4.051727      3.738104      8.114669
  H      -3.486123      0.725297      8.049214
  H      -2.481583      1.971053      8.841369
  C      -4.280938     -0.726379      4.084740
  C      -3.558722     -1.436124      2.928320
  C      -3.145334     -0.504868      1.809349
  O      -4.369667      0.060993      1.239696
  C      -4.266052      0.785060      0.084090
  C      -5.080714      0.448122     -0.978903
  C      -5.041312      1.226894     -2.156033
  N      -4.261947      2.280762     -2.335225
  C      -3.455898      2.631317     -1.293482
  C      -2.608479      3.758406     -1.428809
  C      -1.807808      4.131953     -0.372693
  C      -1.872628      3.389312      0.829196
  N      -2.647165      2.330270      1.005914
  C      -3.418334      1.929678     -0.043115
  C      -3.036995      5.145472      4.796654
  C      -4.326033      5.525242      4.076008
  C      -4.137307      5.652512      2.562395
  O      -5.144144      4.955457      1.795042
  C      -6.400051      5.456102      1.763293
  C      -6.824996      6.612062      2.396211
  C      -8.179430      6.997610      2.280414
  N      -9.103255      6.344663      1.596330
  C      -8.692461      5.215937      0.944090
  C      -9.625133      4.492744      0.162275
  C      -9.210893      3.359831     -0.501665
  C      -7.867131      2.941898     -0.370675
  N      -6.959867      3.579305      0.353358
  C      -7.355082      4.709284      0.996496
  C      -6.451916      2.631114      6.592472
  C      -6.991818      4.072748      6.489888
  C      -8.329991      4.139209      5.769439
  O      -8.160635      3.436328      4.516377
  C      -9.263220      3.091856      3.820035
  C     -10.498225      3.708004      3.920435
  C     -11.560561      3.244241      3.113618
  N     -11.488674      2.229093      2.267459
  C     -10.283320      1.596324      2.176213
  C     -10.150835      0.484403      1.309388
  C      -8.937182     -0.161072      1.216923
  C      -7.854478      0.305034      1.992738
  N      -7.933727      1.337453      2.821940
  C      -9.125106      1.987480      2.918489
  H      -4.638577     -1.491060      4.800302
  H      -5.182826     -0.235571      3.695844
  H      -2.650047     -1.936357      3.299222
  H      -4.216959     -2.226910      2.534277
  H      -2.619570     -1.047919      1.009118
  H      -2.513447      0.314431      2.173619
  H      -5.739345     -0.417897     -0.905982
  H      -5.685198      0.951626     -2.997359
  H      -2.618341      4.301655     -2.374793
  H      -1.136837      4.988675     -0.447784
  H      -1.261785      3.685465      1.688419
  H      -2.218063      5.779861      4.402494
  H      -3.142798      5.428650      5.864794
  H      -4.697338      6.465434      4.508084
  H      -5.102250      4.772633      4.281824
  H      -3.209523      5.152703      2.261272
  H      -4.091996      6.702400      2.233905
  H      -6.146833      7.231142      2.980375
  H      -8.508504      7.907944      2.792284
  H     -10.651998      4.856914      0.110659
  H      -9.902924      2.778391     -1.111480
  H      -7.525571      2.036693     -0.881489
  H      -6.872080      2.122434      7.478854
  H      -6.802506      2.075012      5.712822
  H      -6.261895      4.678339      5.935343
  H      -7.104129      4.534628      7.482208
  H      -8.624769      5.182991      5.578087
  H      -9.131201      3.645341      6.344109
  H     -10.659453      4.554736      4.585751
  H     -12.528116      3.751051      3.181325
  H     -11.023297      0.171938      0.733471
  H      -8.800816     -1.020064      0.558974
  H      -6.879175     -0.185921      1.922734
  N      -5.181850      2.282047      3.281073
  H      -4.815449      1.606979      2.593673
  H      -5.162079      3.180481      2.780168
  H      -6.194972      2.035121      3.366105
102
Coordinates from ORCA-job orca E -6430.595186233886
  N      -3.478602      0.253358      4.791916
  Mo     -3.876483      2.184022      5.055186
  N      -4.984300      2.569604      6.603925
  C      -4.326672      2.728679      7.905333
  C      -3.124522      1.792917      7.953564
  N      -2.364850      1.895724      6.675384
  C      -1.637590      0.634263      6.348755
  C      -2.595884     -0.387201      5.770157
  C      -1.434412      3.061052      6.646013
  C      -1.298493      3.496765      5.188576
  N      -2.635130      3.732807      4.626761
  H      -2.001081     -1.193872      5.305585
  H      -3.197753     -0.868088      6.567898
  H      -0.880141      0.886973      5.595178
  H      -1.117537      0.250425      7.242334
  H      -0.672660      4.402972      5.124201
  H      -0.778981      2.718132      4.606045
  H      -1.886846      3.872936      7.232498
  H      -0.471202      2.793856      7.114047
  H      -5.019672      2.468428      8.723226
  H      -4.018731      3.777430      8.070654
  H      -3.484695      0.758341      8.035720
  H      -2.464519      2.002325      8.811900
  C      -4.309169     -0.724506      4.086640
  C      -3.591942     -1.451024      2.937741
  C      -3.158188     -0.527623      1.821750
  O      -4.371864      0.056936      1.246836
  C      -4.247560      0.799825      0.106110
  C      -5.053595      0.492935     -0.972560
  C      -4.990718      1.292489     -2.135109
  N      -4.196505      2.340168     -2.285605
  C      -3.399164      2.661786     -1.227335
  C      -2.536496      3.780913     -1.330800
  C      -1.746009      4.126727     -0.257211
  C      -1.834408      3.363316      0.929301
  N      -2.623280      2.309987      1.075779
  C      -3.385567      1.936865      0.010268
  C      -3.010255      5.145233      4.749962
  C      -4.303439      5.532772      4.040825
  C      -4.137750      5.644834      2.521708
  O      -5.160360      4.944777      1.776913
  C      -6.416524      5.446218      1.765016
  C      -6.834899      6.596715      2.412518
  C      -8.191450      6.981385      2.316639
  N      -9.122518      6.333596      1.637051
  C      -8.718020      5.210728      0.970340
  C      -9.658407      4.493405      0.192078
  C      -9.250369      3.365866     -0.485244
  C      -7.904869      2.948306     -0.371988
  N      -6.990030      3.580810      0.346637
  C      -7.379718      4.704565      1.004118
  C      -6.442282      2.651946      6.576059
  C      -6.992104      4.087732      6.457085
  C      -8.339745      4.134612      5.753875
  O      -8.179047      3.420282      4.506768
  C      -9.284953      3.065637      3.822206
  C     -10.522731      3.674983      3.929443
  C     -11.587658      3.204602      3.129414
  N     -11.515112      2.190467      2.281911
  C     -10.306475      1.564299      2.183797
  C     -10.171237      0.456306      1.312229
  C      -8.953154     -0.179566      1.209057
  C      -7.868233      0.292844      1.978857
  N      -7.950425      1.321292      2.812283
  C      -9.146242      1.961178      2.919939
  H      -4.674699     -1.478882      4.809081
  H      -5.206702     -0.229425      3.692801
  H      -2.692856     -1.964853      3.314041
  H      -4.260045     -2.233023      2.541978
  H      -2.635019     -1.077484      1.024465
  H      -2.516332      0.282077      2.191434
  H      -5.724329     -0.365633     -0.922625
  H      -5.628742      1.040415     -2.988367
  H      -2.527650      4.341166     -2.267064
  H      -1.064891      4.977135     -0.307034
  H      -1.231995      3.637788      1.802025
  H      -2.188650      5.767939      4.342709
  H      -3.100721      5.435883      5.817273
  H      -4.658865      6.480986      4.468811
  H      -5.083906      4.790226      4.265239
  H      -3.216089      5.140631      2.207366
  H      -4.097717      6.691648      2.183147
  H      -6.150539      7.210469      2.995231
  H      -8.515355      7.886862      2.840716
  H     -10.685965      4.857699      0.153302
  H      -9.948424      2.788795     -1.092707
  H      -7.567953      2.046328     -0.891442
  H      -6.855599      2.153114      7.471152
  H      -6.793011      2.080670      5.706245
  H      -6.273872      4.689591      5.882947
  H      -7.093541      4.565715      7.443211
  H      -8.645146      5.174181      5.555864
  H      -9.130695      3.639443      6.341714
  H     -10.684321      4.521858      4.594711
  H     -12.557321      3.707199      3.201518
  H     -11.045241      0.140006      0.740436
  H      -8.814712     -1.035215      0.546941
  H      -6.888749     -0.188695      1.898257
  N      -5.191163      2.282595      3.262328
  H      -4.815647      1.614630      2.572486
  H      -5.185553      3.181419      2.760749
  H      -6.200120      2.021916      3.350276
102
Coordinates from ORCA-job orca E -6430.595212969508
  N      -3.499058      0.253731      4.780768
  Mo     -3.880056      2.189476      5.031194
  N      -4.972626      2.590152      6.586459
  C      -4.302615      2.758261      7.880394
  C      -3.103893      1.817572      7.926462
  N      -2.356117      1.903321      6.640017
  C      -1.641795      0.633537      6.317487
  C      -2.613229     -0.385274      5.756777
  C      -1.417250      3.061370      6.591945
  C      -1.293622      3.485082      5.129912
  N      -2.634274      3.728578      4.580984
  H      -2.028819     -1.201123      5.294983
  H      -3.211885     -0.853474      6.564416
  H      -0.889195      0.873601      5.554897
  H      -1.116737      0.253215      7.209658
  H      -0.660320      4.385024      5.051318
  H      -0.787255      2.697381      4.547681
  H      -1.858072      3.880915      7.176525
  H      -0.451281      2.790788      7.052335
  H      -4.989145      2.508257      8.706809
  H      -3.988724      3.807111      8.033633
  H      -3.467720      0.785616      8.024270
  H      -2.434427      2.033510      8.775779
  C      -4.343226     -0.722326      4.089554
  C      -3.640068     -1.468359      2.944381
  C      -3.182337     -0.560338      1.825764
  O      -4.378426      0.056558      1.247428
  C      -4.223160      0.822079      0.125516
  C      -5.019598      0.556775     -0.971034
  C      -4.926642      1.383281     -2.112504
  N      -4.111376      2.419358     -2.226536
  C      -3.324310      2.701413     -1.149435
  C      -2.443761      3.809667     -1.211561
  C      -1.667632      4.119068     -0.116396
  C      -1.787958      3.330092      1.050294
  N      -2.592346      2.284006      1.156619
  C      -3.340867      1.946361      0.069906
  C      -2.994072      5.145285      4.696434
  C      -4.293077      5.539758      4.001707
  C      -4.149833      5.645985      2.479560
  O      -5.180190      4.937488      1.753001
  C      -6.436651      5.438790      1.751579
  C      -6.848278      6.591288      2.399999
  C      -8.205321      6.976659      2.315861
  N      -9.143114      6.327840      1.646649
  C      -8.745892      5.202625      0.979655
  C      -9.694071      4.484583      0.211557
  C      -9.293423      3.355064     -0.466886
  C      -7.947604      2.936028     -0.364400
  N      -7.025373      3.569538      0.343806
  C      -7.407679      4.695362      1.002200
  C      -6.431355      2.667364      6.571126
  C      -6.987176      4.098981      6.434415
  C      -8.341169      4.131198      5.742686
  O      -8.188493      3.404482      4.501783
  C      -9.298476      3.041940      3.828282
  C     -10.538458      3.645179      3.945610
  C     -11.607916      3.169242      3.155173
  N     -11.537810      2.155269      2.307340
  C     -10.326896      1.535328      2.198706
  C     -10.193591      0.428738      1.325100
  C      -8.972456     -0.198852      1.208163
  C      -7.882723      0.280001      1.967015
  N      -7.963754      1.305773      2.803840
  C      -9.162213      1.937984      2.924728
  H      -4.713186     -1.465935      4.820899
  H      -5.237358     -0.221328      3.695762
  H      -2.752987     -2.000354      3.323862
  H      -4.324575     -2.237472      2.551250
  H      -2.674759     -1.127599      1.030479
  H      -2.518758      0.232722      2.193224
  H      -5.707838     -0.289027     -0.950124
  H      -5.557331      1.163869     -2.980023
  H      -2.411862      4.392206     -2.133627
  H      -0.977059      4.963070     -0.132634
  H      -1.203658      3.579028      1.942612
  H      -2.171843      5.756311      4.272837
  H      -3.066995      5.445708      5.762284
  H      -4.635727      6.492106      4.430871
  H      -5.075849      4.804096      4.239722
  H      -3.229820      5.147163      2.152059
  H      -4.122626      6.691625      2.136240
  H      -6.158434      7.205180      2.976006
  H      -8.523626      7.883743      2.840534
  H     -10.721303      4.850466      0.180386
  H      -9.997391      2.778054     -1.067478
  H      -7.617246      2.032338     -0.885155
  H      -6.834695      2.182104      7.478110
  H      -6.788340      2.080713      5.714274
  H      -6.275994      4.694193      5.844921
  H      -7.081872      4.591431      7.414103
  H      -8.653181      5.167066      5.535809
  H      -9.124690      3.638763      6.342650
  H     -10.698890      4.491696      4.611605
  H     -12.579309      3.667206      3.235433
  H     -11.071555      0.107022      0.762549
  H      -8.835238     -1.052816      0.543694
  H      -6.900604     -0.194029      1.874587
  N      -5.208361      2.277282      3.249647
  H      -4.837382      1.599891      2.566625
  H      -5.200319      3.171003      2.738818
  H      -6.217810      2.020957      3.345172
102
Coordinates from ORCA-job orca E -6430.595225208732
  N      -3.475717      0.253589      4.797570
  Mo     -3.874373      2.186468      5.051267
  N      -4.975133      2.573419      6.605277
  C      -4.311878      2.740287      7.902727
  C      -3.105885      1.809473      7.949193
  N      -2.354551      1.905684      6.665762
  C      -1.629048      0.642859      6.344036
  C      -2.591361     -0.381127      5.777368
  C      -1.425086      3.071606      6.626451
  C      -1.296958      3.499444      5.166307
  N      -2.637247      3.733755      4.611949
  H      -1.999895     -1.193359      5.318219
  H      -3.191486     -0.853049      6.581743
  H      -0.874857      0.889143      5.584957
  H      -1.105542      0.264812      7.238049
  H      -0.670184      4.404092      5.091173
  H      -0.782380      2.716220      4.585117
  H      -1.877764      3.885594      7.209601
  H      -0.460280      2.808011      7.093090
  H      -4.999843      2.479891      8.724721
  H      -4.007605      3.790919      8.063152
  H      -3.461138      0.774192      8.042982
  H      -2.440942      2.028466      8.801203
  C      -4.303999     -0.731991      4.099588
  C      -3.589410     -1.467805      2.954664
  C      -3.151811     -0.562118      1.826056
  O      -4.361446      0.035200      1.254335
  C      -4.227689      0.788117      0.121372
  C      -5.042592      0.504126     -0.957042
  C      -4.976215      1.315010     -2.110895
  N      -4.170231      2.354769     -2.253098
  C      -3.368618      2.658375     -1.192700
  C      -2.504087      3.776964     -1.282458
  C      -1.717891      4.112321     -0.202236
  C      -1.810661      3.336783      0.976244
  N      -2.597211      2.280510      1.106838
  C      -3.356662      1.919032      0.036391
  C      -3.004566      5.148931      4.723492
  C      -4.301121      5.537271      4.021310
  C      -4.152836      5.643479      2.500173
  O      -5.185048      4.940354      1.770605
  C      -6.436857      5.453034      1.760819
  C      -6.841706      6.608742      2.408020
  C      -8.194055      7.007627      2.315662
  N      -9.133767      6.368820      1.639830
  C      -8.743379      5.240773      0.973857
  C      -9.693463      4.534938      0.196853
  C      -9.299224      3.404690     -0.483952
  C      -7.958530      2.971939     -0.373851
  N      -7.034614      3.593445      0.342956
  C      -7.410167      4.720682      1.003216
  C      -6.434255      2.648394      6.586372
  C      -6.991736      4.078953      6.448448
  C      -8.342228      4.111845      5.750002
  O      -8.183922      3.391589      4.506059
  C      -9.290617      3.040261      3.821064
  C     -10.528814      3.648162      3.934817
  C     -11.593888      3.186938      3.130062
  N     -11.521930      2.182254      2.271605
  C     -10.313511      1.556979      2.166496
  C     -10.179080      0.458372      1.283104
  C      -8.960807     -0.175470      1.170159
  C      -7.875030      0.289205      1.943183
  N      -7.957671      1.306485      2.789896
  C      -9.152971      1.945001      2.906879
  H      -4.664635     -1.482463      4.828457
  H      -5.204603     -0.243244      3.704988
  H      -2.691104     -1.979832      3.335232
  H      -4.260037     -2.251825      2.567354
  H      -2.645480     -1.130879      1.031138
  H      -2.492425      0.241370      2.178652
  H      -5.725920     -0.344569     -0.911154
  H      -5.620256      1.078956     -2.963918
  H      -2.494376      4.347740     -2.212315
  H      -1.043230      4.968771     -0.237518
  H      -1.222232      3.607375      1.858620
  H      -2.181773      5.762347      4.304515
  H      -3.085292      5.448805      5.788649
  H      -4.650175      6.488258      4.447956
  H      -5.081412      4.798125      4.255166
  H      -3.233742      5.142793      2.174572
  H      -4.122750      6.689505      2.158135
  H      -6.150132      7.214492      2.990101
  H      -8.506776      7.916750      2.839939
  H     -10.716388      4.911829      0.158965
  H     -10.004098      2.838353     -1.093466
  H      -7.634297      2.068155     -0.898001
  H      -6.838661      2.163977      7.493326
  H      -6.788307      2.059579      5.729870
  H      -6.278156      4.676321      5.864265
  H      -7.092642      4.569754      7.428322
  H      -8.653881      5.148757      5.547571
  H      -9.128605      3.615449      6.342913
  H     -10.691477      4.487268      4.609512
  H     -12.563302      3.688952      3.207631
  H     -11.054435      0.146868      0.711055
  H      -8.823082     -1.023974      0.499023
  H      -6.895516     -0.190934      1.856352
  N      -5.194027      2.264699      3.262209
  H      -4.819606      1.585128      2.583278
  H      -5.185073      3.156528      2.747523
  H      -6.203981      2.009074      3.354352
102
Coordinates from ORCA-job orca E -6430.595239158034
  N      -3.502612      0.258693      4.783982
  Mo     -3.885214      2.194930      5.040756
  N      -4.979038      2.590379      6.597485
  C      -4.309738      2.756036      7.892043
  C      -3.112449      1.814236      7.937972
  N      -2.363604      1.901874      6.652208
  C      -1.651033      0.631631      6.329955
  C      -2.624445     -0.383763      5.764673
  C      -1.423605      3.059334      6.609968
  C      -1.297146      3.486056      5.149418
  N      -2.637268      3.732964      4.600248
  H      -2.041399     -1.202166      5.306058
  H      -3.228804     -0.849276      6.569551
  H      -0.895920      0.870234      5.569398
  H      -1.129536      0.249331      7.223245
  H      -0.661632      4.384310      5.071267
  H      -0.792814      2.697320      4.566792
  H      -1.866565      3.877079      7.195350
  H      -0.459668      2.786623      7.072831
  H      -4.997513      2.505463      8.717179
  H      -3.994691      3.804096      8.047401
  H      -3.476899      0.782453      8.034689
  H      -2.443240      2.028748      8.787710
  C      -4.335282     -0.719616      4.081100
  C      -3.621112     -1.459910      2.938968
  C      -3.164482     -0.555553      1.816433
  O      -4.362942      0.056419      1.237173
  C      -4.215527      0.816425      0.110664
  C      -5.026997      0.546879     -0.973944
  C      -4.945566      1.363179     -2.122918
  N      -4.128014      2.395011     -2.255324
  C      -3.329348      2.684417     -1.188979
  C      -2.451078      3.792864     -1.269332
  C      -1.664966      4.112744     -0.184544
  C      -1.772206      3.332905      0.989942
  N      -2.573103      2.286118      1.112532
  C      -3.332135      1.938993      0.036688
  C      -2.992782      5.151146      4.711787
  C      -4.290370      5.546359      4.015994
  C      -4.146624      5.654982      2.494943
  O      -5.175037      4.943689      1.768542
  C      -6.431703      5.443357      1.763674
  C      -6.847424      6.593405      2.413731
  C      -8.205527      6.974501      2.329527
  N      -9.140974      6.323029      1.659855
  C      -8.739383      5.200790      0.990676
  C      -9.684605      4.481375      0.220533
  C      -9.278722      3.357447     -0.463767
  C      -7.930794      2.944352     -0.363959
  N      -7.011564      3.577798      0.348218
  C      -7.399164      4.699174      1.011053
  C      -6.437985      2.668552      6.584617
  C      -6.993028      4.099350      6.438037
  C      -8.345789      4.126319      5.744957
  O      -8.191959      3.390903      4.509470
  C      -9.301170      3.039072      3.829866
  C     -10.539866      3.645927      3.943330
  C     -11.606585      3.176700      3.145060
  N     -11.535994      2.165104      2.294500
  C     -10.326832      1.540866      2.191010
  C     -10.192792      0.434133      1.317710
  C      -8.974255     -0.199739      1.209224
  C      -7.887810      0.272296      1.977140
  N      -7.969517      1.298130      2.813512
  C      -9.164961      1.937061      2.924579
  H      -4.705036     -1.468166      4.807379
  H      -5.230278     -0.223861      3.682872
  H      -2.731332     -1.983333      3.324119
  H      -4.297728     -2.235384      2.545191
  H      -2.658922     -1.127534      1.023281
  H      -2.498966      0.239154      2.176275
  H      -5.718583     -0.295467     -0.937174
  H      -5.586735      1.138027     -2.980920
  H      -2.429413      4.367153     -2.196733
  H      -0.977891      4.959323     -0.213457
  H      -1.181310      3.590345      1.874720
  H      -2.167973      5.758752      4.288432
  H      -3.066544      5.452413      5.777093
  H      -4.634409      6.497718      4.445769
  H      -5.072991      4.808987      4.251838
  H      -3.225162      5.160799      2.166322
  H      -4.124919      6.701245      2.152914
  H      -6.160360      7.208121      2.991535
  H      -8.527035      7.879164      2.856006
  H     -10.713279      4.842900      0.190684
  H      -9.979856      2.780940     -1.067830
  H      -7.596818      2.046236     -0.891987
  H      -6.838443      2.191443      7.497166
  H      -6.798000      2.073921      5.733494
  H      -6.281254      4.690807      5.845891
  H      -7.089448      4.598926      7.413846
  H      -8.658579      5.160897      5.532584
  H      -9.129303      3.636335      6.346988
  H     -10.702297      4.489627      4.612126
  H     -12.576707      3.677212      3.222449
  H     -11.068501      0.116847      0.749398
  H      -8.836826     -1.054317      0.545813
  H      -6.908601     -0.208768      1.894507
  N      -5.210859      2.287491      3.256944
  H      -4.823418      1.630194      2.563705
  H      -5.221964      3.189822      2.761952
  H      -6.214814      2.010125      3.343727
102
Coordinates from ORCA-job orca E -6430.595267603690
  N      -3.493808      0.254728      4.784744
  Mo     -3.881509      2.189367      5.040829
  N      -4.976779      2.581593      6.597072
  C      -4.308810      2.747599      7.892242
  C      -3.106701      1.811672      7.937051
  N      -2.358359      1.902488      6.651139
  C      -1.641008      0.634963      6.327577
  C      -2.610572     -0.384460      5.763067
  C      -1.423089      3.063586      6.607853
  C      -1.297876      3.490293      5.147127
  N      -2.638554      3.731420      4.597067
  H      -2.024696     -1.200033      5.302953
  H      -3.211378     -0.852870      6.568943
  H      -0.887492      0.876783      5.566451
  H      -1.116918      0.254050      7.220022
  H      -0.666274      4.391419      5.069875
  H      -0.789311      2.704062      4.564691
  H      -1.869591      3.880286      7.192163
  H      -0.458042      2.795392      7.071246
  H      -4.995556      2.491990      8.716752
  H      -3.999044      3.797036      8.049617
  H      -3.465532      0.777975      8.034215
  H      -2.438537      2.029792      8.786807
  C      -4.331807     -0.723571      4.088888
  C      -3.625551     -1.462464      2.941835
  C      -3.176128     -0.552961      1.820468
  O      -4.376381      0.065177      1.252305
  C      -4.230650      0.830609      0.129214
  C      -5.044279      0.569036     -0.955822
  C      -4.958824      1.388815     -2.102106
  N      -4.134013      2.415460     -2.231951
  C      -3.331781      2.695804     -1.165735
  C      -2.441482      3.794923     -1.245393
  C      -1.650030      4.104069     -0.161212
  C      -1.765173      3.324873      1.012624
  N      -2.576392      2.285544      1.134273
  C      -3.340239      1.947946      0.058347
  C      -2.999115      5.148654      4.702843
  C      -4.296963      5.538825      4.003937
  C      -4.152770      5.644086      2.482040
  O      -5.183499      4.935002      1.756586
  C      -6.438881      5.438034      1.751850
  C      -6.851491      6.590209      2.400336
  C      -8.208485      6.975001      2.315427
  N      -9.145491      6.325709      1.645542
  C      -8.747018      5.201594      0.977643
  C      -9.694345      4.483321      0.208789
  C      -9.292186      3.355413     -0.471379
  C      -7.945778      2.938081     -0.369474
  N      -7.024714      3.570604      0.341065
  C      -7.408556      4.695382      1.000441
  C      -6.435568      2.662650      6.581067
  C      -6.987108      4.094984      6.437303
  C      -8.340018      4.126845      5.744750
  O      -8.185833      3.398593      4.504974
  C      -9.295319      3.042986      3.827187
  C     -10.534650      3.647924      3.943091
  C     -11.602723      3.175690      3.148441
  N     -11.532076      2.163836      2.298199
  C     -10.321783      1.542297      2.191198
  C     -10.187265      0.437575      1.315515
  C      -8.967002     -0.192280      1.201892
  C      -7.879380      0.282395      1.966354
  N      -7.961182      1.307149      2.804372
  C      -9.158754      1.941380      2.921379
  H      -4.697382     -1.472063      4.817455
  H      -5.229113     -0.227096      3.696488
  H      -2.733726     -1.988214      3.319154
  H      -4.305541     -2.236102      2.549969
  H      -2.677118     -1.121855      1.020864
  H      -2.507144      0.238988      2.179863
  H      -5.740057     -0.270134     -0.921867
  H      -5.602415      1.170844     -2.960323
  H      -2.413253      4.369727     -2.172375
  H      -0.950759      4.940526     -0.190643
  H      -1.168974      3.574739      1.896369
  H      -2.175690      5.757707      4.278913
  H      -3.075030      5.453626      5.767167
  H      -4.642096      6.491494      4.430394
  H      -5.080004      4.802344      4.240876
  H      -3.232670      5.146515      2.153621
  H      -4.127890      6.689611      2.138153
  H      -6.162669      7.203809      2.977724
  H      -8.527588      7.881339      2.840742
  H     -10.722030      4.847795      0.178191
  H      -9.995204      2.778468     -1.073037
  H      -7.614974      2.036041     -0.892862
  H      -6.839910      2.182986      7.490549
  H      -6.794175      2.071701      5.727011
  H      -6.274435      4.684390      5.843970
  H      -7.080442      4.594050      7.413675
  H      -8.651577      5.162735      5.536915
  H      -9.124297      3.634890      6.344115
  H     -10.696148      4.492403      4.611324
  H     -12.573605      3.674671      3.227687
  H     -11.063628      0.119334      0.748580
  H      -8.828787     -1.044778      0.535840
  H      -6.898517     -0.194579      1.877817
  N      -5.207558      2.277811      3.257456
  H      -4.834860      1.600085      2.575819
  H      -5.199015      3.170857      2.746285
  H      -6.216953      2.022638      3.350895
102
Coordinates from ORCA-job orca E -6430.595279503386
  N      -3.495634      0.255815      4.787129
  Mo     -3.881704      2.191343      5.041104
  N      -4.974623      2.585170      6.598627
  C      -4.304747      2.753574      7.892475
  C      -3.103283      1.816679      7.937340
  N      -2.356971      1.904339      6.649992
  C      -1.641497      0.635632      6.327895
  C      -2.612775     -0.383088      5.765791
  C      -1.420076      3.064128      6.603820
  C      -1.296671      3.488682      5.142354
  N      -2.638234      3.731061      4.594985
  H      -2.028195     -1.200064      5.306463
  H      -3.213621     -0.849489      6.572807
  H      -0.888294      0.875297      5.565741
  H      -1.117296      0.255424      7.220550
  H      -0.663830      4.388654      5.062239
  H      -0.790704      2.700680      4.560012
  H      -1.864869      3.882131      7.187576
  H      -0.454819      2.795141      7.066310
  H      -4.990467      2.499967      8.718437
  H      -3.994144      3.803124      8.047462
  H      -3.462978      0.783534      8.037379
  H      -2.433370      2.035942      8.785396
  C      -4.331066     -0.724177      4.090140
  C      -3.621550     -1.465447      2.946186
  C      -3.169865     -0.561115      1.821593
  O      -4.369272      0.053425      1.247392
  C      -4.220462      0.819293      0.124897
  C      -5.031574      0.557504     -0.961960
  C      -4.947100      1.379774     -2.106425
  N      -4.125762      2.409533     -2.232840
  C      -3.326695      2.690607     -1.164570
  C      -2.442328      3.794805     -1.239439
  C      -1.656031      4.106402     -0.152264
  C      -1.769571      3.323287      1.019330
  N      -2.574991      2.279189      1.136229
  C      -3.333915      1.939736      0.057741
  C      -2.994718      5.149489      4.699321
  C      -4.293502      5.542048      4.003866
  C      -4.154524      5.645413      2.481519
  O      -5.188076      4.935905      1.759992
  C      -6.442659      5.441255      1.756064
  C      -6.852240      6.593927      2.405619
  C      -8.208125      6.982616      2.320917
  N      -9.146886      6.336755      1.650305
  C      -8.751616      5.212252      0.981244
  C      -9.700838      4.498514      0.210464
  C      -9.301856      3.370929     -0.471998
  C      -7.956847      2.949210     -0.370289
  N      -7.033935      3.577688      0.341453
  C      -7.414515      4.702203      1.003331
  C      -6.433628      2.664041      6.584778
  C      -6.987964      4.094503      6.434190
  C      -8.342384      4.120741      5.744333
  O      -8.188487      3.390586      4.505503
  C      -9.297908      3.036198      3.826669
  C     -10.536661      3.642336      3.942517
  C     -11.604790      3.172403      3.146684
  N     -11.534798      2.161685      2.295016
  C     -10.325074      1.539293      2.187391
  C     -10.191323      0.435864      1.309933
  C      -8.971434     -0.194472      1.194899
  C      -7.883408      0.278224      1.960009
  N      -7.964823      1.301016      2.800358
  C      -9.161941      1.935927      2.918840
  H      -4.697277     -1.471831      4.819252
  H      -5.228088     -0.229455      3.694885
  H      -2.730097     -1.988686      3.327748
  H      -4.299779     -2.241192      2.555449
  H      -2.669595     -1.134275      1.025790
  H      -2.501209      0.232654      2.177716
  H      -5.725290     -0.283434     -0.930198
  H      -5.588710      1.161526     -2.966042
  H      -2.415769      4.372320     -2.164771
  H      -0.962710      4.948082     -0.177570
  H      -1.179260      3.575059      1.906287
  H      -2.170780      5.755491      4.272076
  H      -3.066977      5.455882      5.763430
  H      -4.635618      6.495635      4.430598
  H      -5.076342      4.807113      4.243932
  H      -3.235685      5.147541      2.150500
  H      -4.130774      6.690649      2.136679
  H      -6.161878      7.205029      2.983751
  H      -8.524720      7.889374      2.847001
  H     -10.727299      4.866409      0.179893
  H     -10.006293      2.797721     -1.075572
  H      -7.628910      2.047419     -0.895777
  H      -6.835388      2.189314      7.497954
  H      -6.793073      2.067531      5.735415
  H      -6.277696      4.682337      5.836353
  H      -7.080279      4.598224      7.408284
  H      -8.657589      5.155281      5.535387
  H      -9.123976      3.627427      6.346139
  H     -10.697955      4.485819      4.612052
  H     -12.575280      3.672060      3.226291
  H     -11.068168      0.118615      0.743234
  H      -8.833948     -1.046104      0.527603
  H      -6.902740     -0.199101      1.870751
  N      -5.208557      2.275292      3.258185
  H      -4.831999      1.599544      2.576722
  H      -5.205175      3.169116      2.747534
  H      -6.216530      2.014211      3.351589
102
Coordinates from ORCA-job orca E -6430.595285012890
  N      -3.499563      0.256987      4.786827
  Mo     -3.883351      2.193126      5.040461
  N      -4.975378      2.588434      6.598438
  C      -4.304485      2.757475      7.891677
  C      -3.104104      1.819260      7.936907
  N      -2.358266      1.904697      6.649127
  C      -1.645152      0.634516      6.327874
  C      -2.618603     -0.382758      5.766680
  C      -1.419618      3.062955      6.601722
  C      -1.296195      3.486080      5.139881
  N      -2.637627      3.730400      4.593174
  H      -2.035814     -1.201705      5.308654
  H      -3.220844     -0.846546      6.574144
  H      -0.891688      0.872037      5.565303
  H      -1.121507      0.253969      7.220692
  H      -0.661784      4.384815      5.058617
  H      -0.792021      2.696556      4.558035
  H      -1.863084      3.882179      7.184776
  H      -0.454709      2.792883      7.064238
  H      -4.989959      2.505554      8.718337
  H      -3.992448      3.806786      8.045343
  H      -3.464740      0.786587      8.038309
  H      -2.433583      2.038832      8.784385
  C      -4.334928     -0.722382      4.088968
  C      -3.624940     -1.464322      2.945861
  C      -3.170193     -0.560351      1.822232
  O      -4.367890      0.058283      1.248931
  C      -4.218175      0.825857      0.127744
  C      -5.032783      0.568604     -0.957601
  C      -4.948287      1.392018     -2.101102
  N      -4.123378      2.418777     -2.228260
  C      -3.320613      2.695383     -1.161675
  C      -2.431651      3.795748     -1.237989
  C      -1.641114      4.103045     -0.152681
  C      -1.755229      3.319769      1.018705
  N      -2.565019      2.279126      1.136984
  C      -3.327794      1.943381      0.060024
  C      -2.990510      5.149894      4.694088
  C      -4.289162      5.543970      3.999439
  C      -4.152484      5.645318      2.476665
  O      -5.187474      4.935148      1.757755
  C      -6.441906      5.440741      1.755319
  C      -6.850393      6.593733      2.404956
  C      -8.206638      6.981744      2.323282
  N      -9.146756      6.334741      1.655738
  C      -8.752587      5.210029      0.986430
  C      -9.703388      4.495329      0.218547
  C      -9.305379      3.367956     -0.464810
  C      -7.959751      2.947375     -0.366705
  N      -7.035454      3.576475      0.342639
  C      -7.415127      4.700875      1.005242
  C      -6.434485      2.666569      6.585573
  C      -6.989911      4.096020      6.430678
  C      -8.345688      4.118554      5.743389
  O      -8.192597      3.384928      4.506567
  C      -9.301992      3.030126      3.827987
  C     -10.541619      3.634255      3.945045
  C     -11.609093      3.163975      3.148505
  N     -11.537805      2.154723      2.295274
  C     -10.327196      1.534211      2.186522
  C     -10.191936      0.432191      1.307547
  C      -8.971277     -0.196578      1.191985
  C      -7.884038      0.276255      1.958068
  N      -7.966808      1.297883      2.799681
  C      -9.164659      1.931292      2.918552
  H      -4.702593     -1.469722      4.817659
  H      -5.231125     -0.227100      3.692654
  H      -2.734826     -1.989224      3.328238
  H      -4.303928     -2.238737      2.553861
  H      -2.671878     -1.134565      1.025949
  H      -2.499003      0.230982      2.178861
  H      -5.729411     -0.269873     -0.925323
  H      -5.592979      1.177364     -2.959266
  H      -2.404815      4.373756     -2.162984
  H      -0.943671      4.941250     -0.179264
  H      -1.161462      3.568575      1.904137
  H      -2.165544      5.752854      4.264573
  H      -3.060944      5.458897      5.757532
  H      -4.628788      6.498807      4.425301
  H      -5.073199      4.810937      4.241370
  H      -3.234453      5.146783      2.144546
  H      -4.129397      6.690065      2.130353
  H      -6.158937      7.205511      2.980975
  H      -8.522428      7.888563      2.849671
  H     -10.730140      4.862536      0.190511
  H     -10.010892      2.794213     -1.066546
  H      -7.632400      2.046066     -0.893402
  H      -6.835150      2.194439      7.500575
  H      -6.794283      2.066945      5.738443
  H      -6.281478      4.681360      5.828311
  H      -7.079896      4.604071      7.402694
  H      -8.662622      5.152063      5.531952
  H      -9.125636      3.625871      6.347853
  H     -10.704122      4.476409      4.615886
  H     -12.580328      3.661963      3.229133
  H     -11.068258      0.114692      0.740223
  H      -8.832682     -1.047180      0.523650
  H      -6.902941     -0.200121      1.868803
  N      -5.211200      2.278044      3.258423
  H      -4.832425      1.604729      2.575808
  H      -5.210540      3.172691      2.749387
  H      -6.218352      2.013933      3.351132
102
Coordinates from ORCA-job orca E -6430.595290714176
  N      -3.505459      0.257269      4.786343
  Mo     -3.886086      2.194169      5.040404
  N      -4.976524      2.590647      6.599376
  C      -4.304055      2.760825      7.891542
  C      -3.104734      1.821327      7.936896
  N      -2.360142      1.903965      6.648116
  C      -1.650067      0.631996      6.327394
  C      -2.626009     -0.383496      5.767015
  C      -1.419433      3.060401      6.598680
  C      -1.296704      3.482034      5.136402
  N      -2.638440      3.728488      4.591364
  H      -2.045124     -1.204201      5.309767
  H      -3.229321     -0.845051      6.574965
  H      -0.896255      0.867202      5.564410
  H      -1.126947      0.250755      7.220224
  H      -0.660670      4.379478      5.053921
  H      -0.794598      2.691072      4.554636
  H      -1.861147      3.881095      7.181042
  H      -0.454673      2.789080      7.060765
  H      -4.988874      2.510830      8.719341
  H      -3.990509      3.809960      8.043393
  H      -3.466031      0.789114      8.040618
  H      -2.433035      2.041815      8.783209
  C      -4.339841     -0.721333      4.086331
  C      -3.628075     -1.461904      2.943581
  C      -3.170561     -0.556429      1.822135
  O      -4.366432      0.066025      1.249300
  C      -4.214983      0.837571      0.131115
  C      -5.033131      0.587962     -0.953423
  C      -4.947250      1.414607     -2.094355
  N      -4.117128      2.437365     -2.220248
  C      -3.310262      2.706016     -1.154793
  C      -2.414309      3.800798     -1.230577
  C      -1.618863      4.100100     -0.146618
  C      -1.735471      3.314952      1.023274
  N      -2.551728      2.279246      1.141128
  C      -3.318985      1.950774      0.065020
  C      -2.985904      5.149762      4.684584
  C      -4.284854      5.545324      3.991352
  C      -4.151939      5.641581      2.467891
  O      -5.189736      4.930617      1.753776
  C      -6.443730      5.436918      1.753419
  C      -6.850611      6.590358      2.403230
  C      -8.207174      6.978038      2.324864
  N      -9.148898      6.330403      1.660136
  C      -8.756090      5.205623      0.990085
  C      -9.708539      4.490504      0.224637
  C      -9.311728      3.363382     -0.459828
  C      -7.965595      2.943426     -0.365094
  N      -7.039912      3.572632      0.342238
  C      -7.418511      4.696826      1.005770
  C      -6.435551      2.670548      6.587236
  C      -6.989246      4.099501      6.423355
  C      -8.346955      4.118165      5.740338
  O      -8.195516      3.379438      4.506464
  C      -9.305555      3.025120      3.829057
  C     -10.545363      3.628600      3.946961
  C     -11.613349      3.156392      3.152083
  N     -11.542208      2.146231      2.299904
  C     -10.331053      1.526831      2.190151
  C     -10.195377      0.424306      1.311886
  C      -8.973937     -0.202775      1.195367
  C      -7.886422      0.271980      1.959943
  N      -7.969498      1.294094      2.800969
  C      -9.168186      1.925822      2.920420
  H      -4.708746     -1.469406      4.813665
  H      -5.235393     -0.225746      3.689033
  H      -2.738959     -1.987981      3.326698
  H      -4.306737     -2.235289      2.548980
  H      -2.673611     -1.130533      1.024872
  H      -2.497492      0.232603      2.180128
  H      -5.733467     -0.247477     -0.922496
  H      -5.595261      1.206259     -2.951581
  H      -2.385777      4.380859     -2.154243
  H      -0.914852      4.932808     -0.173202
  H      -1.137536      3.557951      1.907493
  H      -2.159718      5.747632      4.250398
  H      -3.053007      5.464221      5.746653
  H      -4.620445      6.502681      4.414755
  H      -5.070925      4.815637      4.237437
  H      -3.235788      5.140480      2.134510
  H      -4.128352      6.685159      2.118146
  H      -6.157722      7.202685      2.976975
  H      -8.521816      7.885051      2.851620
  H     -10.735529      4.857267      0.199241
  H     -10.018438      2.789234     -1.059770
  H      -7.639156      2.042395     -0.892844
  H      -6.835927      2.204584      7.505537
  H      -6.797046      2.065724      5.744234
  H      -6.282486      4.678122      5.812534
  H      -7.074157      4.616179      7.391243
  H      -8.665797      5.150319      5.525208
  H      -9.124692      3.627076      6.348975
  H     -10.707826      4.471170      4.617289
  H     -12.585025      3.653417      3.233547
  H     -11.071854      0.105311      0.745619
  H      -8.834904     -1.053496      0.527256
  H      -6.904867     -0.203208      1.869813
  N      -5.215274      2.280043      3.259385
  H      -4.835766      1.606730      2.577186
  H      -5.215794      3.174413      2.750077
  H      -6.221925      2.014594      3.352116
102
Coordinates from ORCA-job orca E -6430.595294693541
  N      -3.510712      0.257642      4.788240
  Mo     -3.887814      2.195480      5.040568
  N      -4.976677      2.594723      6.600144
  C      -4.302687      2.767018      7.891157
  C      -3.104548      1.825949      7.937375
  N      -2.361130      1.904432      6.647613
  C      -1.654286      0.630307      6.328568
  C      -2.632925     -0.383557      5.770148
  C      -1.417967      3.058626      6.594947
  C      -1.295505      3.477130      5.131773
  N      -2.637369      3.725600      4.587972
  H      -2.054241     -1.206634      5.314400
  H      -3.237404     -0.841894      6.579046
  H      -0.900154      0.862451      5.564948
  H      -1.131767      0.249000      7.221725
  H      -0.657679      4.373092      5.047401
  H      -0.795564      2.684124      4.550898
  H      -1.857547      3.881673      7.175624
  H      -0.453444      2.786246      7.056917
  H      -4.986830      2.519685      8.720313
  H      -3.987536      3.816063      8.040409
  H      -3.467031      0.794450      8.044033
  H      -2.431640      2.047636      8.782416
  C      -4.344338     -0.720456      4.086729
  C      -3.631057     -1.460538      2.944634
  C      -3.170556     -0.554040      1.825177
  O      -4.364626      0.071240      1.251679
  C      -4.211379      0.845502      0.135585
  C      -5.032470      0.601836     -0.948130
  C      -4.946233      1.431411     -2.086786
  N      -4.112512      2.451355     -2.211707
  C      -3.302059      2.713682     -1.147481
  C      -2.401215      3.804520     -1.222912
  C      -1.601614      4.097617     -0.140320
  C      -1.719291      3.310531      1.028140
  N      -2.540108      2.278382      1.145728
  C      -3.311205      1.955481      0.070600
  C      -2.978530      5.148811      4.673659
  C      -4.277793      5.546777      3.982434
  C      -4.149790      5.638252      2.458107
  O      -5.191672      4.927901      1.749011
  C      -6.444980      5.436008      1.752000
  C      -6.848381      6.590204      2.402639
  C      -8.204835      6.979203      2.328866
  N      -9.149524      6.332280      1.667680
  C      -8.760155      5.207140      0.996238
  C      -9.715995      4.493021      0.234055
  C      -9.322651      3.365727     -0.452114
  C      -7.976523      2.944705     -0.362381
  N      -7.047803      3.572787      0.341921
  C      -7.423032      4.697052      1.007312
  C      -6.435776      2.674020      6.588609
  C      -6.990462      4.101320      6.415766
  C      -8.350571      4.114198      5.737551
  O      -8.200300      3.371177      4.506106
  C      -9.310313      3.015639      3.829249
  C     -10.551045      3.616896      3.948696
  C     -11.618763      3.143428      3.154188
  N     -11.546403      2.134457      2.300753
  C     -10.334128      1.517599      2.188994
  C     -10.196896      0.416970      1.308600
  C      -8.974104     -0.207075      1.189684
  C      -7.886901      0.268698      1.954018
  N      -7.971436      1.289006      2.797106
  C      -9.171493      1.917782      2.918910
  H      -4.714629     -1.468694      4.813182
  H      -5.239107     -0.224472      3.688204
  H      -2.743128     -1.987852      3.328771
  H      -4.309654     -2.232837      2.547783
  H      -2.673786     -1.127937      1.027637
  H      -2.496601      0.233326      2.184988
  H      -5.735533     -0.231344     -0.918161
  H      -5.597073      1.228110     -2.943083
  H      -2.372196      4.386604     -2.145286
  H      -0.893122      4.926510     -0.166971
  H      -1.117710      3.548877      1.911180
  H      -2.151022      5.740941      4.234208
  H      -3.041482      5.468904      5.734305
  H      -4.608534      6.506650      4.403914
  H      -5.065655      4.820899      4.233012
  H      -3.236161      5.133828      2.122742
  H      -4.124864      6.680792      2.105419
  H      -6.152879      7.202036      2.973736
  H      -8.516794      7.886636      2.856499
  H     -10.742734      4.860726      0.212418
  H     -10.031958      2.792247     -1.049629
  H      -7.652725      2.043558     -0.891537
  H      -6.835305      2.213692      7.510113
  H      -6.797723      2.063544      5.749997
  H      -6.286690      4.674410      5.796302
  H      -7.070695      4.626214      7.379592
  H      -8.672751      5.144640      5.519259
  H      -9.125236      3.623422      6.350387
  H     -10.714487      4.458424      4.620080
  H     -12.591345      3.638461      3.237054
  H     -11.073209      0.096975      0.742647
  H      -8.833848     -1.056228      0.519831
  H      -6.904327     -0.204060      1.861893
  N      -5.218296      2.280513      3.260547
  H      -4.838502      1.606248      2.579405
  H      -5.219640      3.174091      2.749826
  H      -6.224583      2.014035      3.353884
102
Coordinates from ORCA-job orca E -6430.595296642916
  N      -3.514337      0.257475      4.790183
  Mo     -3.888731      2.196036      5.041047
  N      -4.977375      2.597435      6.600393
  C      -4.303137      2.771110      7.890999
  C      -3.106060      1.828697      7.938516
  N      -2.362656      1.904320      6.648570
  C      -1.657951      0.628673      6.331056
  C      -2.638085     -0.384007      5.773334
  C      -1.417714      3.056890      6.594230
  C      -1.294390      3.473330      5.130551
  N      -2.636069      3.723208      4.586665
  H      -2.060579     -1.208586      5.318792
  H      -3.243727     -0.840418      6.582442
  H      -0.903022      0.858741      5.567580
  H      -1.136468      0.247296      7.224803
  H      -0.655418      4.368410      5.045672
  H      -0.795302      2.679236      4.550418
  H      -1.856075      3.881565      7.173517
  H      -0.453594      2.783753      7.056645
  H      -4.987349      2.525780      8.720698
  H      -3.986746      3.820027      8.038622
  H      -3.469779      0.797790      8.046736
  H      -2.432791      2.050840      8.783159
  C      -4.346429     -0.720520      4.086694
  C      -3.630787     -1.459107      2.945003
  C      -3.168836     -0.550994      1.827453
  O      -4.362436      0.073499      1.251976
  C      -4.208672      0.848359      0.136398
  C      -5.030980      0.606459     -0.946829
  C      -4.945168      1.437106     -2.084710
  N      -4.110632      2.456429     -2.209486
  C      -3.298694      2.716758     -1.145893
  C      -2.396817      3.806782     -1.221207
  C      -1.595573      4.097948     -0.139298
  C      -1.712723      3.309640      1.028427
  N      -2.534504      2.278335      1.145948
  C      -3.307304      1.957328      0.071462
  C      -2.972728      5.147802      4.667225
  C      -4.272223      5.547845      3.977525
  C      -4.147167      5.636502      2.452797
  O      -5.191849      4.927382      1.746533
  C      -6.444628      5.436772      1.752458
  C      -6.845349      6.591311      2.404135
  C      -8.201694      6.981408      2.333876
  N      -9.148606      6.335380      1.674968
  C      -8.761808      5.210141      1.002147
  C      -9.720062      4.497144      0.241919
  C      -9.329298      3.369892     -0.445794
  C      -7.983288      2.947748     -0.359536
  N      -7.052365      3.574759      0.342824
  C      -7.425094      4.698939      1.009775
  C      -6.436463      2.676546      6.588333
  C      -6.991261      4.102913      6.409141
  C      -8.352741      4.112371      5.733869
  O      -8.203324      3.366204      4.504305
  C      -9.313391      3.009572      3.828343
  C     -10.554826      3.609170      3.948775
  C     -11.622505      3.134054      3.155148
  N     -11.549325      2.125250      2.301588
  C     -10.336158      1.510313      2.188634
  C     -10.197809      0.410325      1.307606
  C      -8.973884     -0.211196      1.186999
  C      -7.886744      0.266286      1.950407
  N      -7.972364      1.285837      2.794296
  C      -9.173558      1.912153      2.917652
  H      -4.717460     -1.469454      4.812016
  H      -5.240832     -0.224663      3.687172
  H      -2.743237     -1.986268      3.330230
  H      -4.308198     -2.231376      2.546055
  H      -2.669593     -1.123323      1.030362
  H      -2.496686      0.236792      2.189689
  H      -5.734767     -0.226115     -0.916985
  H      -5.597167      1.235403     -2.940515
  H      -2.368360      4.389898     -2.142959
  H      -0.886342      4.926223     -0.165895
  H      -1.109569      3.546372      1.910858
  H      -2.144266      5.735834      4.224089
  H      -3.032543      5.471683      5.726890
  H      -4.599602      6.509279      4.398044
  H      -5.061409      4.824502      4.230972
  H      -3.235394      5.129427      2.116368
  H      -4.120458      6.678454      2.098476
  H      -6.147830      7.202483      2.973500
  H      -8.511584      7.889022      2.862443
  H     -10.746541      4.865750      0.222896
  H     -10.040499      2.797266     -1.041896
  H      -7.661452      2.046576     -0.889834
  H      -6.836155      2.220170      7.511739
  H      -6.798385      2.062373      5.752390
  H      -6.289004      4.672033      5.784243
  H      -7.068558      4.633328      7.370174
  H      -8.676736      5.141728      5.513167
  H      -9.125662      3.622246      6.349450
  H     -10.718895      4.450383      4.620419
  H     -12.595785      3.627596      3.238907
  H     -11.074119      0.088792      0.742508
  H      -8.832711     -1.059717      0.516522
  H      -6.903336     -0.204437      1.856795
  N      -5.219203      2.280875      3.260869
  H      -4.839671      1.605936      2.580167
  H      -5.220543      3.173959      2.749245
  H      -6.225386      2.014161      3.354289
102
Coordinates from ORCA-job orca E -6430.595298983929
  N      -3.520443      0.257771      4.792663
  Mo     -3.890019      2.197496      5.040847
  N      -4.978304      2.603253      6.599525
  C      -4.303733      2.778731      7.889653
  C      -3.108900      1.833461      7.939421
  N      -2.365235      1.904303      6.649370
  C      -1.664210      0.626006      6.334459
  C      -2.646981     -0.384570      5.777793
  C      -1.416998      3.053953      6.592666
  C      -1.291899      3.466945      5.128176
  N      -2.632984      3.719710      4.583719
  H      -2.071625     -1.211770      5.325270
  H      -3.254729     -0.837709      6.587145
  H      -0.907967      0.852525      5.571213
  H      -1.144542      0.244529      7.229235
  H      -0.650546      4.360208      5.042225
  H      -0.794662      2.670683      4.549447
  H      -1.853136      3.881283      7.169825
  H      -0.453707      2.779205      7.055903
  H      -4.988364      2.537045      8.720062
  H      -3.984793      3.827237      8.034701
  H      -3.475427      0.803771      8.049816
  H      -2.435077      2.055646      8.783611
  C      -4.351363     -0.719319      4.086548
  C      -3.633420     -1.456272      2.945075
  C      -3.168665     -0.545935      1.830544
  O      -4.361130      0.078067      1.251978
  C      -4.206096      0.852786      0.136524
  C      -5.029613      0.612729     -0.946236
  C      -4.943137      1.443662     -2.083850
  N      -4.107018      2.461672     -2.208838
  C      -3.293914      2.720238     -1.145682
  C      -2.390713      3.809171     -1.220983
  C      -1.588293      4.098769     -0.139509
  C      -1.705523      3.309732      1.027739
  N      -2.528562      2.279525      1.145239
  C      -3.302805      1.960162      0.071285
  C      -2.963120      5.146189      4.659076
  C      -4.262992      5.549805      3.972051
  C      -4.142018      5.636266      2.446854
  O      -5.189802      4.928493      1.743846
  C      -6.442336      5.438475      1.754324
  C      -6.840252      6.592912      2.407885
  C      -8.196771      6.983361      2.342816
  N      -9.146285      6.337910      1.687068
  C      -8.762220      5.213004      1.012069
  C      -9.723345      4.500813      0.254703
  C      -9.335327      3.374028     -0.435348
  C      -7.989138      2.951449     -0.354242
  N      -7.055564      3.577726      0.345305
  C      -7.425641      4.701417      1.014562
  C      -6.437469      2.681016      6.587144
  C      -6.993693      4.105772      6.400512
  C      -8.356724      4.110115      5.728528
  O      -8.208044      3.359584      4.501629
  C      -9.317993      3.000267      3.827185
  C     -10.560864      3.596654      3.949031
  C     -11.628131      3.118776      3.156519
  N     -11.553148      2.110436      2.302553
  C     -10.338439      1.498804      2.188102
  C     -10.197954      0.399784      1.306192
  C      -8.972270     -0.217884      1.183561
  C      -7.885610      0.262248      1.946040
  N      -7.973250      1.280806      2.790905
  C      -9.176159      1.903437      2.916088
  H      -4.723802     -1.469046      4.810266
  H      -5.244971     -0.222800      3.686042
  H      -2.746875     -1.984254      3.331499
  H      -4.310086     -2.227704      2.543253
  H      -2.665577     -1.115872      1.034221
  H      -2.499068      0.242112      2.196906
  H      -5.734937     -0.218529     -0.916177
  H      -5.596035      1.243412     -2.939316
  H      -2.362316      4.392838     -2.142396
  H      -0.878556      4.926610     -0.165994
  H      -1.101195      3.545049      1.909783
  H      -2.133382      5.728786      4.211153
  H      -3.018112      5.474263      5.717685
  H      -4.585960      6.512797      4.392352
  H      -5.053693      4.829468      4.228846
  H      -3.232177      5.126976      2.108511
  H      -4.113954      6.677796      2.091349
  H      -6.140412      7.203535      2.974986
  H      -8.504495      7.890816      2.872934
  H     -10.749769      4.869774      0.239515
  H     -10.048816      2.802128     -1.029421
  H      -7.669377      2.050590     -0.886319
  H      -6.836836      2.229185      7.512926
  H      -6.799031      2.062136      5.754515
  H      -6.293577      4.671179      5.769829
  H      -7.068452      4.642247      7.358384
  H      -8.683305      5.137927      5.504464
  H      -9.127375      3.620717      6.347555
  H     -10.726378      4.437318      4.621018
  H     -12.602643      3.609700      3.241453
  H     -11.074019      0.075816      0.742102
  H      -8.829408     -1.065544      0.512342
  H      -6.900928     -0.205480      1.850827
  N      -5.220571      2.282656      3.260547
  H      -4.841391      1.607712      2.579568
  H      -5.222248      3.175596      2.748618
  H      -6.226537      2.015368      3.354011
102
Coordinates from ORCA-job orca E -6430.595301413016
  N      -3.529579      0.258614      4.795865
  Mo     -3.891711      2.200141      5.039858
  N      -4.980235      2.612687      6.596908
  C      -4.305755      2.790604      7.886710
  C      -3.114563      1.840817      7.940527
  N      -2.369777      1.904327      6.650752
  C      -1.674518      0.621843      6.340313
  C      -2.661269     -0.385283      5.784604
  C      -1.416259      3.049323      6.591144
  C      -1.287691      3.457167      5.125554
  N      -2.627458      3.714977      4.579614
  H      -2.089220     -1.216722      5.335656
  H      -3.272902     -0.833099      6.593968
  H      -0.915745      0.842554      5.577855
  H      -1.158280      0.240188      7.237009
  H      -0.642224      4.347307      5.038099
  H      -0.793523      2.657327      4.549175
  H      -1.849258      3.880632      7.164918
  H      -0.454607      2.771890      7.056229
  H      -4.991541      2.554588      8.717761
  H      -3.982758      3.838373      8.028026
  H      -3.485526      0.813046      8.054050
  H      -2.440357      2.062964      8.784418
  C      -4.358713     -0.717030      4.085640
  C      -3.637167     -1.451888      2.944893
  C      -3.168491     -0.538878      1.834275
  O      -4.359563      0.083812      1.251173
  C      -4.203164      0.857843      0.135540
  C      -5.028484      0.619707     -0.946320
  C      -4.941349      1.450405     -2.084035
  N      -4.103142      2.466588     -2.209986
  C      -3.288481      2.723513     -1.147583
  C      -2.383718      3.811077     -1.223490
  C      -1.579937      4.099433     -0.142675
  C      -1.697219      3.310194      1.024469
  N      -2.521627      2.281230      1.142408
  C      -3.297589      1.963290      0.069300
  C      -2.947838      5.144119      4.648446
  C      -4.248251      5.553568      3.965799
  C      -4.133440      5.638361      2.440011
  O      -5.185179      4.932144      1.741430
  C      -6.437576      5.442241      1.759034
  C      -6.831961      6.596033      2.415868
  C      -8.188996      6.985996      2.359095
  N      -9.142092      6.340784      1.708279
  C      -8.761503      5.216814      1.029699
  C      -9.726630      4.505136      0.276960
  C      -9.342105      3.379425     -0.416829
  C      -7.995308      2.957271     -0.344008
  N      -7.058032      3.583029      0.351117
  C      -7.424772      4.705691      1.023943
  C      -6.439545      2.688460      6.583626
  C      -6.997790      4.110911      6.386541
  C      -8.362800      4.108055      5.718871
  O      -8.215197      3.350628      4.496281
  C      -9.324956      2.986554      3.824582
  C     -10.570351      3.577271      3.948689
  C     -11.636761      3.094448      3.158016
  N     -11.558527      2.086821      2.303477
  C     -10.341114      1.480953      2.186730
  C     -10.196663      0.383539      1.303457
  C      -8.968036     -0.227720      1.178039
  C      -7.882516      0.256910      1.939385
  N      -7.973801      1.274089      2.785513
  C      -9.179601      1.890525      2.913135
  H      -4.733365     -1.467878      4.806962
  H      -5.251083     -0.219607      3.683504
  H      -2.751999     -1.980736      3.333334
  H      -4.312576     -2.222411      2.539238
  H      -2.659741     -1.105636      1.039374
  H      -2.502720      0.249842      2.206126
  H      -5.735933     -0.209705     -0.915413
  H      -5.595547      1.251513     -2.938818
  H      -2.355301      4.394762     -2.144897
  H      -0.869623      4.926762     -0.169490
  H      -1.091561      3.544289      1.905949
  H      -2.116208      5.718811      4.193820
  H      -2.995436      5.477579      5.705684
  H      -4.564756      6.518441      4.386612
  H      -5.041260      4.837443      4.226900
  H      -3.225895      5.127277      2.098264
  H      -4.104719      6.679607      2.083653
  H      -6.128969      7.206174      2.979561
  H      -8.493994      7.892777      2.891936
  H     -10.753262      4.873745      0.267981
  H     -10.058797      2.808111     -1.007589
  H      -7.678203      2.057239     -0.879078
  H      -6.838695      2.242871      7.512514
  H      -6.800240      2.063010      5.755454
  H      -6.300423      4.671288      5.748317
  H      -7.069609      4.655694      7.339949
  H      -8.692583      5.133641      5.489281
  H      -9.130540      3.620447      6.342939
  H     -10.738515      4.417144      4.621010
  H     -12.613436      3.580732      3.244868
  H     -11.072028      0.055622      0.740555
  H      -8.822037     -1.073927      0.505655
  H      -6.895758     -0.205937      1.842101
  N      -5.221782      2.286526      3.258965
  H      -4.842816      1.612449      2.576914
  H      -5.223793      3.179752      2.747511
  H      -6.227416      2.018306      3.351919
102
Coordinates from ORCA-job orca E -6430.595265258940
  N      -3.562675      0.263381      4.804768
  Mo     -3.896763      2.211244      5.033826
  N      -4.987198      2.648703      6.583632
  C      -4.313864      2.834706      7.872899
  C      -3.136695      1.867987      7.942437
  N      -2.386776      1.904308      6.654509
  C      -1.713367      0.606441      6.360737
  C      -2.714618     -0.387177      5.806821
  C      -1.412853      3.031175      6.585986
  C      -1.271147      3.420808      5.116813
  N      -2.605066      3.699197      4.565377
  H      -2.155105     -1.233940      5.370922
  H      -3.341132     -0.815296      6.615401
  H      -0.944902      0.805431      5.601943
  H      -1.210717      0.223715      7.264675
  H      -0.609061      4.298033      5.023543
  H      -0.790196      2.606886      4.549158
  H      -1.833742      3.876659      7.147901
  H      -0.458023      2.742507      7.058288
  H      -5.004695      2.619513      8.705288
  H      -3.975732      3.879335      8.001196
  H      -3.524145      0.847596      8.067172
  H      -2.461738      2.089812      8.785799
  C      -4.389201     -0.705459      4.082349
  C      -3.659665     -1.435921      2.943559
  C      -3.179272     -0.516195      1.843720
  O      -4.365808      0.105629      1.249894
  C      -4.206118      0.879114      0.134627
  C      -5.038295      0.648419     -0.943737
  C      -4.949460      1.478681     -2.081493
  N      -4.103616      2.488057     -2.211026
  C      -3.282995      2.738682     -1.151681
  C      -2.371277      3.820102     -1.230744
  C      -1.562123      4.103625     -0.152630
  C      -1.680796      3.315324      1.015029
  N      -2.511169      2.291537      1.135376
  C      -3.292909      1.978266      0.065157
  C      -2.890401      5.136797      4.615759
  C      -4.191451      5.569328      3.948754
  C      -4.098417      5.651698      2.421056
  O      -5.164622      4.952816      1.737127
  C      -6.415355      5.465544      1.779335
  C      -6.796021      6.615847      2.450276
  C      -8.153617      7.006871      2.421708
  N      -9.119350      6.366206      1.785093
  C      -8.752434      5.246861      1.091436
  C      -9.731899      4.541036      0.351823
  C      -9.361128      3.420378     -0.357592
  C      -8.013409      2.997204     -0.313500
  N      -7.063037      3.617096      0.369163
  C      -7.416529      4.734813      1.057249
  C      -6.447074      2.717720      6.566481
  C      -7.012681      4.130823      6.330165
  C      -8.382413      4.100805      5.673565
  O      -8.234740      3.313176      4.470686
  C      -9.341747      2.926994      3.808019
  C     -10.595450      3.500514      3.930390
  C     -11.656367      2.995191      3.146451
  N     -11.565084      1.982734      2.298916
  C     -10.339015      1.394036      2.184033
  C     -10.179305      0.294271      1.306348
  C      -8.941642     -0.298883      1.182383
  C      -7.862627      0.205502      1.940285
  N      -7.967819      1.226145      2.780606
  C      -9.182521      1.825210      2.905796
  H      -4.772250     -1.458794      4.796417
  H      -5.276650     -0.202987      3.675717
  H      -2.779171     -1.969110      3.336791
  H      -4.333409     -2.202422      2.527675
  H      -2.657315     -1.075218      1.052129
  H      -2.521855      0.272608      2.229862
  H      -5.752821     -0.174770     -0.910033
  H      -5.608749      1.284966     -2.933514
  H      -2.341935      4.402972     -2.152634
  H      -0.847333      4.926980     -0.181829
  H      -1.070587      3.545436      1.894445
  H      -2.052071      5.684458      4.140424
  H      -2.912706      5.485361      5.668841
  H      -4.484304      6.540126      4.372786
  H      -4.993104      4.868576      4.223169
  H      -3.199318      5.135066      2.065730
  H      -4.067843      6.692671      2.063916
  H      -6.081866      7.221428      3.004676
  H      -8.447945      7.910219      2.966221
  H     -10.758310      4.910169      0.364572
  H     -10.089324      2.853961     -0.938870
  H      -7.706912      2.101245     -0.861501
  H      -6.846058      2.295072      7.506050
  H      -6.803832      2.068539      5.754947
  H      -6.323504      4.672899      5.667600
  H      -7.078152      4.705360      7.266432
  H      -8.721974      5.117298      5.418889
  H      -9.142142      3.623201      6.315016
  H     -10.774165      4.344008      4.595384
  H     -12.640027      3.467427      3.232067
  H     -11.050271     -0.049954      0.746377
  H      -8.783753     -1.146331      0.514265
  H      -6.869558     -0.243988      1.844973
  N      -5.222513      2.303712      3.249337
  H      -4.844894      1.630330      2.565685
  H      -5.221515      3.197351      2.738575
  H      -6.228151      2.036152      3.339487
102
Coordinates from ORCA-job orca E -6430.595188939891
  N      -3.582899      0.265538      4.813867
  Mo     -3.898954      2.217521      5.030745
  N      -4.992972      2.672418      6.573671
  C      -4.322253      2.865644      7.863079
  C      -3.153993      1.888770      7.945811
  N      -2.399273      1.905775      6.660156
  C      -1.739810      0.597930      6.379785
  C      -2.749066     -0.387500      5.826371
  C      -1.412172      3.020506      6.585140
  C      -1.260298      3.396226      5.113326
  N      -2.589975      3.686715      4.556830
  H      -2.196715     -1.243920      5.400262
  H      -3.385835     -0.802608      6.633711
  H      -0.963800      0.782082      5.624848
  H      -1.247587      0.215628      7.289665
  H      -0.587984      4.265240      5.016808
  H      -0.786694      2.573194      4.552700
  H      -1.825585      3.876012      7.137340
  H      -0.462306      2.725425      7.063590
  H      -5.017161      2.664973      8.695652
  H      -3.974737      3.908308      7.981988
  H      -3.551710      0.873336      8.078700
  H      -2.479690      2.111988      8.789347
  C      -4.403328     -0.700758      4.081182
  C      -3.663218     -1.426159      2.945625
  C      -3.175948     -0.500550      1.853781
  O      -4.360122      0.115177      1.248401
  C      -4.198648      0.887106      0.132481
  C      -5.033665      0.657706     -0.944128
  C      -4.945023      1.486687     -2.082757
  N      -4.096715      2.493708     -2.215175
  C      -3.273186      2.742982     -1.157735
  C      -2.358763      3.821982     -1.239723
  C      -1.546761      4.104880     -0.163549
  C      -1.665541      3.318143      1.005218
  N      -2.498170      2.296732      1.128243
  C      -3.282760      1.983813      0.060004
  C      -2.850119      5.129746      4.587776
  C      -4.154866      5.575495      3.936696
  C      -4.087337      5.645931      2.406941
  O      -5.168497      4.948199      1.745359
  C      -6.418051      5.461273      1.811911
  C      -6.785126      6.612480      2.488840
  C      -8.143455      7.002168      2.488673
  N      -9.122038      6.359684      1.873738
  C      -8.768904      5.240057      1.173231
  C      -9.763105      4.532625      0.454988
  C      -9.406394      3.411847     -0.261515
  C      -8.057595      2.989993     -0.245767
  N      -7.093651      3.611402      0.416286
  C      -7.433592      4.729170      1.111221
  C      -6.452886      2.741197      6.549753
  C      -7.017560      4.148904      6.283183
  C      -8.389139      4.106127      5.631772
  O      -8.239596      3.303704      4.439249
  C      -9.343456      2.909784      3.776784
  C     -10.601267      3.474635      3.897739
  C     -11.657594      2.961556      3.112581
  N     -11.557777      1.950770      2.264019
  C     -10.327117      1.371448      2.149759
  C     -10.157553      0.275512      1.269136
  C      -8.914710     -0.306615      1.144502
  C      -7.840639      0.204257      1.905239
  N      -7.955009      1.221408      2.748587
  C      -9.174917      1.809796      2.874001
  H      -4.792178     -1.456511      4.789370
  H      -5.287485     -0.196941      3.669030
  H      -2.784943     -1.958877      3.344465
  H      -4.331880     -2.192539      2.521353
  H      -2.640860     -1.052869      1.066413
  H      -2.528561      0.291278      2.250448
  H      -5.750219     -0.163626     -0.908374
  H      -5.606735      1.294105     -2.933190
  H      -2.329835      4.403756     -2.162355
  H      -0.830323      4.926750     -0.195059
  H      -1.052882      3.547777      1.883137
  H      -2.010156      5.656033      4.091591
  H      -2.849757      5.493241      5.635971
  H      -4.427785      6.553063      4.358332
  H      -4.960765      4.887981      4.229980
  H      -3.197555      5.121520      2.039758
  H      -4.056526      6.684232      2.041990
  H      -6.059666      7.219322      3.026984
  H      -8.427014      7.906020      3.038117
  H     -10.789379      4.900891      0.489031
  H     -10.146284      2.844388     -0.826883
  H      -7.761757      2.093969     -0.799514
  H      -6.856034      2.337210      7.495734
  H      -6.807009      2.076043      5.750164
  H      -6.330870      4.673409      5.603858
  H      -7.077132      4.745413      7.206023
  H      -8.732951      5.117746      5.363673
  H      -9.145823      3.634223      6.281084
  H     -10.786557      4.316908      4.562546
  H     -12.644904      3.426349      3.197588
  H     -11.025106     -0.074841      0.707643
  H      -8.749126     -1.150799      0.474061
  H      -6.844005     -0.237197      1.809859
  N      -5.218456      2.310534      3.241012
  H      -4.842064      1.633341      2.560227
  H      -5.212901      3.202097      2.726503
  H      -6.224608      2.045035      3.328861
102
Coordinates from ORCA-job orca E -6430.594922588213
  N      -3.553970      0.265006      4.808970
  Mo     -3.892643      2.212503      5.035687
  N      -4.987298      2.649334      6.582857
  C      -4.316420      2.835946      7.873340
  C      -3.137935      1.871546      7.945933
  N      -2.385348      1.909686      6.659738
  C      -1.708926      0.612805      6.369233
  C      -2.706797     -0.383166      5.813327
  C      -1.413716      3.038717      6.592882
  C      -1.269721      3.427423      5.123781
  N      -2.603181      3.702989      4.569382
  H      -2.144260     -1.228611      5.378637
  H      -3.333932     -0.813078      6.620598
  H      -0.938081      0.811920      5.612795
  H      -1.208474      0.232079      7.275248
  H      -0.608600      4.305410      5.030644
  H      -0.786602      2.613521      4.557940
  H      -1.838240      3.883492      7.153123
  H      -0.459421      2.752531      7.067787
  H      -5.008683      2.620955      8.704572
  H      -3.979274      3.880884      8.001201
  H      -3.523289      0.850249      8.069999
  H      -2.465210      2.095097      8.790650
  C      -4.372678     -0.707486      4.082238
  C      -3.634369     -1.437126      2.948148
  C      -3.153954     -0.519870      1.846121
  O      -4.341148      0.091670      1.243030
  C      -4.180784      0.861375      0.125421
  C      -5.012509      0.628289     -0.952849
  C      -4.922773      1.456039     -2.092483
  N      -4.076684      2.465196     -2.223743
  C      -3.256343      2.717616     -1.164535
  C      -2.344265      3.798782     -1.244734
  C      -1.536142      4.084095     -0.166280
  C      -1.655728      3.297461      1.002520
  N      -2.486421      2.274268      1.124024
  C      -3.267143      1.959624      0.053754
  C      -2.890251      5.140356      4.612775
  C      -4.196220      5.566374      3.951264
  C      -4.108709      5.646634      2.423432
  O      -5.162802      4.928111      1.741330
  C      -6.422416      5.417731      1.783948
  C      -6.825766      6.557232      2.460039
  C      -8.189549      6.925779      2.426451
  N      -9.140491      6.274901      1.777896
  C      -8.750583      5.167264      1.077874
  C      -9.712076      4.454607      0.321433
  C      -9.318107      3.345872     -0.394132
  C      -7.965238      2.940263     -0.338494
  N      -7.030737      3.568147      0.358680
  C      -7.407035      4.675465      1.051391
  C      -6.447282      2.721605      6.564403
  C      -7.011136      4.138571      6.346060
  C      -8.389631      4.118606      5.707511
  O      -8.260122      3.356997      4.486447
  C      -9.378862      2.967612      3.846742
  C     -10.640353      3.507113      4.028347
  C     -11.715465      3.000075      3.264907
  N     -11.628859      2.018446      2.381235
  C     -10.393042      1.466286      2.204453
  C     -10.235067      0.404592      1.280692
  C      -8.986769     -0.147498      1.091145
  C      -7.895440      0.358466      1.830503
  N      -7.998307      1.342927      2.713220
  C      -9.223804      1.901448      2.902868
  H      -4.755870     -1.461786      4.795126
  H      -5.260511     -0.209156      3.671463
  H      -2.752890     -1.964353      3.347199
  H      -4.302191     -2.208627      2.531897
  H      -2.624580     -1.079451      1.059882
  H      -2.502756      0.274635      2.231363
  H      -5.727313     -0.194579     -0.917674
  H      -5.582226      1.260995     -2.944115
  H      -2.314480      4.380490     -2.167390
  H      -0.821736      4.907836     -0.195982
  H      -1.048007      3.529689      1.883007
  H      -2.055581      5.686678      4.129473
  H      -2.907409      5.494510      5.664085
  H      -4.492197      6.536573      4.374621
  H      -4.993825      4.862091      4.230508
  H      -3.201708      5.144517      2.067802
  H      -4.095747      6.687098      2.063663
  H      -6.124684      7.171505      3.021600
  H      -8.501912      7.820325      2.975510
  H     -10.743617      4.809362      0.326273
  H     -10.032085      2.775357     -0.988774
  H      -7.640696      2.053533     -0.891269
  H      -6.845824      2.290660      7.500402
  H      -6.806697      2.081418      5.746371
  H      -6.327833      4.686880      5.682255
  H      -7.065295      4.703479      7.288920
  H      -8.735506      5.138949      5.477814
  H      -9.138607      3.627162      6.351106
  H     -10.815625      4.325087      4.725506
  H     -12.706853      3.444007      3.399584
  H     -11.115756      0.056558      0.738363
  H      -8.829613     -0.964120      0.385453
  H      -6.894546     -0.058211      1.683169
  N      -5.215475      2.300114      3.248748
  H      -4.829057      1.636007      2.561112
  H      -5.224677      3.197523      2.744497
  H      -6.216893      2.017727      3.336431
102
Coordinates from ORCA-job orca E -6430.595190724477
  N      -3.559152      0.264246      4.796205
  Mo     -3.902738      2.210286      5.029295
  N      -4.986044      2.642163      6.585243
  C      -4.306064      2.827227      7.871388
  C      -3.125142      1.865232      7.933041
  N      -2.382071      1.907509      6.641382
  C      -1.704696      0.612669      6.343850
  C      -2.704538     -0.384760      5.793357
  C      -1.413166      3.038895      6.570455
  C      -1.282943      3.432270      5.101227
  N      -2.620637      3.707670      4.558464
  H      -2.143331     -1.228172      5.353138
  H      -3.325336     -0.817246      6.604162
  H      -0.940491      0.814767      5.581579
  H      -1.196412      0.231700      7.245313
  H      -0.623072      4.310673      5.002937
  H      -0.804962      2.619202      4.529881
  H      -1.834704      3.880647      7.137490
  H      -0.454704      2.752735      7.036663
  H      -4.992175      2.608768      8.706803
  H      -3.970474      3.872647      7.999059
  H      -3.507022      0.842798      8.058113
  H      -2.446782      2.088741      8.773218
  C      -4.386274     -0.706480      4.076780
  C      -3.655626     -1.448380      2.946051
  C      -3.168381     -0.543205      1.836875
  O      -4.349415      0.077311      1.231846
  C      -4.177590      0.847368      0.115959
  C      -4.994685      0.611995     -0.972812
  C      -4.891541      1.438852     -2.111895
  N      -4.045535      2.449207     -2.232860
  C      -3.239849      2.704271     -1.163274
  C      -2.328328      3.786545     -1.232913
  C      -1.535183      4.074336     -0.144094
  C      -1.669288      3.289947      1.024416
  N      -2.500175      2.265351      1.136271
  C      -3.265356      1.947734      0.055642
  C      -2.915932      5.142728      4.621836
  C      -4.221641      5.572699      3.962372
  C      -4.130400      5.673839      2.435534
  O      -5.185607      4.967355      1.742502
  C      -6.440693      5.469556      1.777569
  C      -6.837021      6.612543      2.451944
  C      -8.197079      6.993708      2.411883
  N      -9.151279      6.350042      1.761121
  C      -8.768741      5.237948      1.064441
  C      -9.735122      4.529278      0.310498
  C      -9.349004      3.414246     -0.399519
  C      -7.998736      3.000336     -0.342882
  N      -7.060241      3.623500      0.352876
  C      -7.428994      4.735656      1.041722
  C      -6.445995      2.712985      6.578781
  C      -7.012232      4.130035      6.368426
  C      -8.383262      4.108736      5.713731
  O      -8.238896      3.336971      4.500446
  C      -9.349112      2.948904      3.844259
  C     -10.604956      3.514137      3.981386
  C     -11.667996      3.012869      3.197675
  N     -11.575897      2.013088      2.335218
  C     -10.347439      1.432273      2.205937
  C     -10.185569      0.347587      1.310051
  C      -8.946215     -0.239278      1.174303
  C      -7.867418      0.256480      1.938172
  N      -7.973759      1.264657      2.793266
  C      -9.190140      1.857713      2.929779
  H      -4.772533     -1.454785      4.794484
  H      -5.271916     -0.204854      3.665335
  H      -2.777779     -1.980377      3.346704
  H      -4.330322     -2.217098      2.535859
  H      -2.648048     -1.115134      1.053302
  H      -2.506597      0.246363      2.214019
  H      -5.708093     -0.212405     -0.946451
  H      -5.539165      1.241547     -2.971974
  H      -2.286718      4.366750     -2.155980
  H      -0.820295      4.897809     -0.165742
  H      -1.073876      3.524390      1.912640
  H      -2.082752      5.699405      4.147947
  H      -2.936857      5.483264      5.677660
  H      -4.520496      6.537278      4.396515
  H      -5.019026      4.863602      4.230433
  H      -3.223348      5.175405      2.074642
  H      -4.116076      6.718931      2.089800
  H      -6.133268      7.220668      3.016695
  H      -8.503728      7.891117      2.959344
  H     -10.764343      4.890609      0.314578
  H     -10.067263      2.844856     -0.990121
  H      -7.680383      2.109242     -0.892146
  H      -6.838290      2.276575      7.514871
  H      -6.808947      2.076843      5.759328
  H      -6.323796      4.686205      5.716843
  H      -7.079240      4.687227      7.315028
  H      -8.723540      5.128437      5.473024
  H      -9.140953      3.622781      6.351191
  H     -10.783248      4.350761      4.655134
  H     -12.653577      3.478793      3.294815
  H     -11.056179      0.010198      0.745450
  H      -8.786635     -1.075046      0.492037
  H      -6.873019     -0.187965      1.833926
  N      -5.239878      2.297821      3.253865
  H      -4.863341      1.626712      2.567921
  H      -5.244990      3.192869      2.745629
  H      -6.243588      2.026725      3.351191
102
Coordinates from ORCA-job orca E -6430.594746634581
  N      -3.550567      0.254913      4.808557
  Mo     -3.886320      2.202174      5.041309
  N      -4.981314      2.633730      6.589444
  C      -4.311598      2.816610      7.880772
  C      -3.133258      1.851319      7.950378
  N      -2.379833      1.893270      6.664552
  C      -1.701896      0.598582      6.366730
  C      -2.699055     -0.396146      5.807471
  C      -1.409572      3.023804      6.602327
  C      -1.263880      3.417419      5.134531
  N      -2.596410      3.690913      4.578061
  H      -2.136304     -1.238621      5.367492
  H      -3.323493     -0.830220      6.614505
  H      -0.932733      0.803180      5.610111
  H      -1.199471      0.213381      7.269771
  H      -0.604534      4.297075      5.045336
  H      -0.777527      2.605719      4.568022
  H      -1.835635      3.866683      7.164336
  H      -0.455620      2.737106      7.077611
  H      -5.004295      2.597837      8.710814
  H      -3.975166      3.861393      8.013099
  H      -3.517817      0.829403      8.071464
  H      -2.461104      2.072968      8.796065
  C      -4.379996     -0.712561      4.088323
  C      -3.662184     -1.425548      2.932236
  C      -3.201931     -0.487550      1.838967
  O      -4.398115      0.153312      1.286474
  C      -4.260498      0.952128      0.186023
  C      -5.122567      0.750412     -0.874692
  C      -5.059803      1.605307     -1.995567
  N      -4.209345      2.610583     -2.126929
  C      -3.356583      2.830574     -1.086494
  C      -2.432970      3.901658     -1.171838
  C      -1.588283      4.153449     -0.113383
  C      -1.686269      3.346620      1.043521
  N      -2.525990      2.330903      1.169178
  C      -3.340435      2.045895      0.115189
  C      -2.882924      5.128095      4.605055
  C      -4.180312      5.549767      3.923327
  C      -4.080435      5.601605      2.394573
  O      -5.148250      4.896026      1.719357
  C      -6.394017      5.421921      1.739115
  C      -6.768991      6.588992      2.383721
  C      -8.122464      6.992401      2.336126
  N      -9.089751      6.347136      1.706498
  C      -8.728348      5.210169      1.038953
  C      -9.709807      4.496759      0.309034
  C      -9.344486      3.358598     -0.374785
  C      -8.000096      2.926554     -0.315505
  N      -7.048300      3.552889      0.358995
  C      -7.396538      4.686691      1.023145
  C      -6.440417      2.710245      6.566402
  C      -6.997090      4.124848      6.321107
  C      -8.365880      4.098027      5.662287
  O      -8.217498      3.303488      4.463782
  C      -9.323150      2.931882      3.789997
  C     -10.566012      3.532837      3.888051
  C     -11.625580      3.041465      3.093193
  N     -11.543457      2.017322      2.259001
  C     -10.329381      1.399888      2.170463
  C     -10.181895      0.283347      1.311940
  C      -8.957012     -0.341005      1.217602
  C      -7.878698      0.149112      1.985554
  N      -7.973117      1.184422      2.809127
  C      -9.174794      1.814823      2.904523
  H      -4.752372     -1.474172      4.799456
  H      -5.273748     -0.210143      3.695853
  H      -2.774298     -1.960789      3.305406
  H      -4.339004     -2.188157      2.514039
  H      -2.704668     -1.036728      1.024660
  H      -2.529280      0.289824      2.221789
  H      -5.840246     -0.070051     -0.840086
  H      -5.744465      1.435905     -2.832703
  H      -2.421811      4.501588     -2.083166
  H      -0.858799      4.963771     -0.150449
  H      -1.046375      3.552229      1.907921
  H      -2.042316      5.669543      4.126799
  H      -2.912998      5.492410      5.652715
  H      -4.471975      6.529995      4.326209
  H      -4.986139      4.857000      4.206467
  H      -3.183567      5.071591      2.053305
  H      -4.042485      6.635057      2.017106
  H      -6.053425      7.199353      2.931338
  H      -8.412375      7.909292      2.860110
  H     -10.733345      4.874190      0.309109
  H     -10.074006      2.785304     -0.947848
  H      -7.697855      2.017185     -0.843344
  H      -6.845404      2.292738      7.505795
  H      -6.797230      2.060200      5.755916
  H      -6.304692      4.656011      5.652756
  H      -7.057741      4.707871      7.252358
  H      -8.700736      5.114481      5.401547
  H      -9.129200      3.626839      6.304268
  H     -10.736468      4.387221      4.541296
  H     -12.600293      3.535084      3.159012
  H     -11.051671     -0.048844      0.742973
  H      -8.808682     -1.201871      0.564569
  H      -6.895007     -0.325196      1.913302
  N      -5.203099      2.294564      3.250635
  H      -4.819617      1.618371      2.572885
  H      -5.198994      3.186889      2.737626
  H      -6.209902      2.027104      3.335342
102
Coordinates from ORCA-job orca E -6430.595262824722
  N      -3.543985      0.266636      4.809438
  Mo     -3.888054      2.212680      5.041390
  N      -4.989484      2.641738      6.585534
  C      -4.323854      2.826437      7.879188
  C      -3.143747      1.863862      7.953293
  N      -2.386022      1.906969      6.670066
  C      -1.705150      0.612988      6.377243
  C      -2.698564     -0.383242      5.814051
  C      -1.416001      3.037983      6.611064
  C      -1.268070      3.432022      5.143739
  N      -2.599651      3.708064      4.586602
  H      -2.132607     -1.225712      5.378207
  H      -3.327397     -0.817335      6.617692
  H      -0.932567      0.816959      5.623929
  H      -1.206769      0.230056      7.283435
  H      -0.607217      4.310616      5.054510
  H      -0.783240      2.619629      4.577087
  H      -1.843727      3.879833      7.173295
  H      -0.463021      2.751265      7.088155
  H      -5.018983      2.607295      8.706947
  H      -3.989721      3.871843      8.011445
  H      -3.527358      0.841437      8.073121
  H      -2.474821      2.086419      8.801270
  C      -4.365690     -0.704972      4.085156
  C      -3.630671     -1.437749      2.951619
  C      -3.159268     -0.525266      1.841714
  O      -4.352006      0.077941      1.241817
  C      -4.201808      0.840020      0.117298
  C      -5.025294      0.578946     -0.960819
  C      -4.947251      1.394273     -2.110037
  N      -4.119811      2.417242     -2.250762
  C      -3.307741      2.697529     -1.192411
  C      -2.414626      3.793428     -1.284454
  C      -1.613751      4.106206     -0.208329
  C      -1.722512      3.333283      0.970365
  N      -2.535917      2.297261      1.103474
  C      -3.308113      1.954491      0.035285
  C      -2.890856      5.143936      4.640175
  C      -4.192960      5.573303      3.973235
  C      -4.099873      5.660027      2.445697
  O      -5.162444      4.956370      1.761248
  C      -6.413987      5.466880      1.803177
  C      -6.797497      6.613594      2.478592
  C      -8.155439      7.003223      2.448916
  N      -9.119425      6.363300      1.808878
  C      -8.750105      5.246474      1.112475
  C      -9.727739      4.540866      0.370113
  C      -9.354212      3.423004     -0.342270
  C      -8.005586      3.002399     -0.298380
  N      -7.056957      3.622440      0.386236
  C      -7.413211      4.737199      1.077513
  C      -6.449396      2.709971      6.562108
  C      -7.015086      4.124734      6.335218
  C      -8.382582      4.100476      5.672450
  O      -8.232884      3.326556      4.460705
  C      -9.340364      2.947139      3.794352
  C     -10.593290      3.520986      3.923272
  C     -11.655426      3.024921      3.135117
  N     -11.566317      2.020284      2.278176
  C     -10.341644      1.429957      2.157746
  C     -10.185470      0.335720      1.272550
  C      -8.950020     -0.261114      1.145226
  C      -7.869668      0.234207      1.906960
  N      -7.971329      1.249689      2.754100
  C      -9.183897      1.852552      2.882743
  H      -4.749086     -1.457837      4.799683
  H      -5.253268     -0.206139      3.674607
  H      -2.745627     -1.960475      3.348569
  H      -4.298241     -2.213335      2.542605
  H      -2.634986     -1.090254      1.055728
  H      -2.506832      0.273099      2.216322
  H      -5.724100     -0.257247     -0.918286
  H      -5.599898      1.176592     -2.961397
  H      -2.392477      4.363531     -2.214490
  H      -0.911775      4.940036     -0.247896
  H      -1.118530      3.586074      1.847863
  H      -2.054206      5.695854      4.166783
  H      -2.915644      5.490230      5.694022
  H      -4.488893      6.542693      4.398571
  H      -4.993430      4.869914      4.245448
  H      -3.197211      5.150833      2.088381
  H      -4.077729      6.702010      2.091090
  H      -6.085212      7.218085      3.036765
  H      -8.451825      7.904094      2.996412
  H     -10.754896      4.907954      0.383175
  H     -10.080733      2.857141     -0.926192
  H      -7.696717      2.109008     -0.849236
  H      -6.851627      2.279527      7.496755
  H      -6.802276      2.067340      5.744081
  H      -6.323024      4.674353      5.681909
  H      -7.086172      4.690305      7.276537
  H      -8.721874      5.119460      5.427627
  H      -9.143932      3.616257      6.306944
  H     -10.770689      4.357854      4.596956
  H     -12.638656      3.496914      3.226751
  H     -11.057567     -0.001980      0.710375
  H      -8.794830     -1.104605      0.471500
  H      -6.878574     -0.219322      1.810212
  N      -5.203295      2.304763      3.249793
  H      -4.817844      1.635129      2.567058
  H      -5.202900      3.200709      2.743220
  H      -6.208651      2.032901      3.334189
102
Coordinates from ORCA-job orca E -6430.594986124221
  N      -3.596183      0.260607      4.800544
  Mo     -3.916640      2.211164      5.027388
  N      -4.988243      2.661000      6.586927
  C      -4.299531      2.848749      7.867855
  C      -3.129297      1.873711      7.930395
  N      -2.392441      1.898300      6.634603
  C      -1.733769      0.592759      6.342802
  C      -2.748030     -0.393886      5.799923
  C      -1.409646      3.016435      6.551321
  C      -1.280289      3.398431      5.079252
  N      -2.617841      3.688024      4.541840
  H      -2.198650     -1.246835      5.363068
  H      -3.372773     -0.814289      6.613986
  H      -0.967808      0.779758      5.578373
  H      -1.228978      0.209897      7.245487
  H      -0.610347      4.268355      4.974433
  H      -0.814127      2.577317      4.509774
  H      -1.818207      3.867811      7.113462
  H      -0.452641      2.721836      7.015454
  H      -4.983077      2.644666      8.708932
  H      -3.950946      3.891129      7.985481
  H      -3.522634      0.856738      8.064469
  H      -2.443925      2.094943      8.765519
  C      -4.420129     -0.705606      4.071267
  C      -3.681232     -1.437816      2.939228
  C      -3.188949     -0.521388      1.841719
  O      -4.368730      0.095615      1.230831
  C      -4.194981      0.875019      0.122531
  C      -5.013615      0.654021     -0.968302
  C      -4.910148      1.494858     -2.097230
  N      -4.062838      2.505814     -2.206336
  C      -3.255012      2.745459     -1.134563
  C      -2.342723      3.827949     -1.190022
  C      -1.547273      4.099362     -0.098590
  C      -1.678709      3.296642      1.057934
  N      -2.510776      2.272181      1.156694
  C      -3.279969      1.972644      0.073971
  C      -2.884679      5.129497      4.586954
  C      -4.190243      5.575724      3.938641
  C      -4.112627      5.670361      2.410895
  O      -5.169231      4.955851      1.728479
  C      -6.429208      5.444762      1.773667
  C      -6.833751      6.583885      2.449741
  C      -8.198622      6.948910      2.418602
  N      -9.149475      6.294549      1.773286
  C      -8.758440      5.186892      1.073909
  C      -9.720091      4.468402      0.323082
  C      -9.324789      3.358405     -0.390017
  C      -7.970050      2.958294     -0.338676
  N      -7.035553      3.591650      0.353399
  C      -7.413584      4.699308      1.044456
  C      -6.447504      2.741162      6.584757
  C      -7.005446      4.157660      6.351925
  C      -8.379017      4.131109      5.705045
  O      -8.234357      3.349786      4.498632
  C      -9.342014      2.951246      3.846313
  C     -10.604960      3.498600      3.990616
  C     -11.665008      2.981254      3.213191
  N     -11.562889      1.983114      2.349919
  C     -10.326139      1.421762      2.212283
  C     -10.152613      0.341644      1.313199
  C      -8.903963     -0.222357      1.166164
  C      -7.827760      0.291076      1.922429
  N      -7.944411      1.295473      2.780661
  C      -9.170838      1.865093      2.928488
  H      -4.809697     -1.458670      4.781977
  H      -5.303798     -0.201291      3.658499
  H      -2.804847     -1.970747      3.341993
  H      -4.351221     -2.204695      2.517996
  H      -2.655902     -1.082028      1.058724
  H      -2.537092      0.269891      2.232969
  H      -5.729030     -0.168882     -0.950996
  H      -5.559287      1.309665     -2.958935
  H      -2.302918      4.421983     -2.104387
  H      -0.833769      4.924234     -0.108788
  H      -1.080626      3.517028      1.948155
  H      -2.047117      5.664128      4.095537
  H      -2.885787      5.483292      5.638501
  H      -4.472293      6.545383      4.372508
  H      -4.993358      4.878185      4.217700
  H      -3.207020      5.173184      2.045021
  H      -4.103182      6.713977      2.060312
  H      -6.133126      7.200495      3.009142
  H      -8.512025      7.843427      2.967092
  H     -10.753047      4.818954      0.331120
  H     -10.039188      2.782504     -0.978965
  H      -7.643963      2.070657     -0.889104
  H      -6.840047      2.322670      7.528865
  H      -6.817551      2.093767      5.776986
  H      -6.318363      4.695838      5.683738
  H      -7.061912      4.733735      7.287892
  H      -8.721704      5.148003      5.455955
  H      -9.133583      3.649192      6.349338
  H     -10.791829      4.331226      4.667045
  H     -12.657053      3.432040      3.316715
  H     -11.021949     -0.011388      0.756058
  H      -8.735189     -1.054442      0.481518
  H      -6.827679     -0.137484      1.810557
  N      -5.267039      2.305292      3.260161
  H      -4.908249      1.623506      2.575013
  H      -5.263913      3.196097      2.744180
  H      -6.272641      2.048424      3.368822
102
Coordinates from ORCA-job orca E -6430.595294850210
  N      -3.556407      0.263750      4.807958
  Mo     -3.892204      2.212001      5.031957
  N      -4.987382      2.652095      6.577708
  C      -4.316193      2.842055      7.867761
  C      -3.139832      1.875126      7.943600
  N      -2.386310      1.907842      6.657645
  C      -1.712886      0.608670      6.370522
  C      -2.712627     -0.385368      5.814520
  C      -1.411101      3.033813      6.589068
  C      -1.266522      3.419592      5.119215
  N      -2.599260      3.700219      4.566069
  H      -2.151958     -1.233168      5.382094
  H      -3.342268     -0.812059      6.621507
  H      -0.940334      0.804111      5.614914
  H      -1.214899      0.228166      7.277958
  H      -0.601564      4.294380      5.023459
  H      -0.787891      2.602376      4.554414
  H      -1.832986      3.880721      7.148092
  H      -0.457783      2.745316      7.064426
  H      -5.009094      2.631261      8.699496
  H      -3.976900      3.886730      7.991998
  H      -3.527458      0.855054      8.070456
  H      -2.467081      2.099575      8.788053
  C      -4.379571     -0.707227      4.084379
  C      -3.646664     -1.438324      2.948392
  C      -3.172299     -0.522027      1.843068
  O      -4.362552      0.089985      1.247471
  C      -4.207183      0.860572      0.130018
  C      -5.040480      0.625990     -0.946761
  C      -4.955052      1.454600     -2.086113
  N      -4.111605      2.465829     -2.218417
  C      -3.289067      2.718964     -1.161148
  C      -2.379035      3.801659     -1.242873
  C      -1.567355      4.086237     -0.166951
  C      -1.680728      3.297258      1.000756
  N      -2.510321      2.273246      1.124097
  C      -3.295153      1.959893      0.056444
  C      -2.881214      5.138428      4.617110
  C      -4.187051      5.575391      3.962162
  C      -4.104848      5.672615      2.434614
  O      -5.164658      4.964856      1.749882
  C      -6.420225      5.465322      1.795146
  C      -6.812737      6.607132      2.473770
  C      -8.173734      6.986187      2.444884
  N      -9.132194      6.341818      1.800995
  C      -8.753634      5.230880      1.100115
  C      -9.724747      4.521621      0.352726
  C      -9.342416      3.408320     -0.362158
  C      -7.991167      2.996212     -0.316590
  N      -7.048198      3.620346      0.372392
  C      -7.413349      4.730672      1.066204
  C      -6.447368      2.721446      6.559835
  C      -7.012901      4.135142      6.326716
  C      -8.384539      4.105995      5.673997
  O      -8.240409      3.323670      4.467635
  C      -9.350066      2.935192      3.811253
  C     -10.605963      3.500956      3.946244
  C     -11.668823      2.996905      3.164052
  N     -11.576530      1.994205      2.305035
  C     -10.347884      1.413380      2.177554
  C     -10.185852      0.326088      1.284907
  C      -8.945562     -0.258748      1.148631
  C      -7.866305      0.241093      1.909302
  N      -7.972987      1.251221      2.762139
  C      -9.190398      1.842099      2.899146
  H      -4.762654     -1.460545      4.798456
  H      -5.267331     -0.206934      3.675853
  H      -2.763178     -1.965125      3.343529
  H      -4.316531     -2.210130      2.536065
  H      -2.648694     -1.083289      1.054057
  H      -2.517621      0.272137      2.223270
  H      -5.753216     -0.198632     -0.910566
  H      -5.615592      1.258303     -2.936602
  H      -2.353412      4.384864     -2.164664
  H      -0.854282      4.910983     -0.197805
  H      -1.068844      3.527999      1.878836
  H      -2.045498      5.683906      4.134634
  H      -2.893533      5.487063      5.670360
  H      -4.477374      6.542785      4.395737
  H      -4.987221      4.872318      4.236449
  H      -3.200198      5.173217      2.069153
  H      -4.092122      6.716991      2.086499
  H      -6.105370      7.215558      3.033728
  H      -8.477312      7.882949      2.995192
  H     -10.754416      4.881595      0.364966
  H     -10.064298      2.839059     -0.948502
  H      -7.675490      2.106050     -0.868877
  H      -6.845904      2.297483      7.498985
  H      -6.804674      2.073782      5.747063
  H      -6.324931      4.679300      5.664445
  H      -7.077313      4.707923      7.264174
  H      -8.726416      5.122851      5.423793
  H      -9.141128      3.625253      6.316772
  H     -10.784790      4.338683      4.618480
  H     -12.654550      3.462918      3.259749
  H     -11.057039     -0.015183      0.723445
  H      -8.785625     -1.096330      0.468641
  H      -6.871530     -0.202517      1.804778
  N      -5.214930      2.299289      3.244887
  H      -4.833159      1.628975      2.560978
  H      -5.216523      3.194225      2.736331
  H      -6.218899      2.026501      3.334137
102
Coordinates from ORCA-job orca E -6430.595141761203
  N      -3.547231      0.263331      4.800082
  Mo     -3.891914      2.208251      5.041033
  N      -4.986232      2.631973      6.591336
  C      -4.315582      2.809207      7.883481
  C      -3.135301      1.846647      7.947725
  N      -2.382571      1.897098      6.661920
  C      -1.701178      0.605240      6.360277
  C      -2.695831     -0.390308      5.797061
  C      -1.414906      3.030708      6.605463
  C      -1.273314      3.432370      5.139484
  N      -2.606627      3.706743      4.586254
  H      -2.130417     -1.229252      5.353762
  H      -3.319794     -0.829728      6.601645
  H      -0.932529      0.813759      5.604240
  H      -1.197958      0.218957      7.262334
  H      -0.614178      4.312269      5.050326
  H      -0.788987      2.622329      4.569019
  H      -1.842220      3.868566      7.173981
  H      -0.459853      2.743132      7.077746
  H      -5.007844      2.585129      8.712377
  H      -3.981407      3.853996      8.020437
  H      -3.517442      0.823257      8.063741
  H      -2.463330      2.065370      8.794289
  C      -4.374596     -0.703750      4.076241
  C      -3.644107     -1.438423      2.941466
  C      -3.168169     -0.527211      1.831954
  O      -4.356424      0.086222      1.233492
  C      -4.197840      0.855803      0.114775
  C      -5.002826      0.591353     -0.976412
  C      -4.914285      1.410560     -2.122046
  N      -4.093375      2.440678     -2.247367
  C      -3.300441      2.725269     -1.175900
  C      -2.415107      3.828734     -1.251902
  C      -1.634737      4.146562     -0.162369
  C      -1.757872      3.372551      1.014096
  N      -2.563841      2.328662      1.132255
  C      -3.313660      1.979451      0.050133
  C      -2.905826      5.140499      4.638791
  C      -4.206596      5.559290      3.962603
  C      -4.107476      5.627066      2.434385
  O      -5.168968      4.915893      1.755695
  C      -6.416599      5.437088      1.777806
  C      -6.795738      6.598622      2.429991
  C      -8.149039      7.001805      2.378717
  N      -9.112578      6.361380      1.738671
  C      -8.747637      5.228859      1.065841
  C      -9.724741      4.521230      0.324737
  C      -9.355855      3.386743     -0.363247
  C      -8.012648      2.952193     -0.296453
  N      -7.064680      3.573947      0.387448
  C      -7.415978      4.704802      1.054750
  C      -6.445856      2.706705      6.575567
  C      -7.007345      4.126048      6.367238
  C      -8.372908      4.112889      5.700052
  O      -8.222258      3.347672      4.482682
  C      -9.329898      2.969671      3.814919
  C     -10.581068      3.547927      3.940136
  C     -11.643420      3.053464      3.151262
  N     -11.556286      2.045694      2.297802
  C     -10.333519      1.450734      2.181321
  C     -10.179767      0.352679      1.300462
  C      -8.946470     -0.249687      1.178039
  C      -7.865672      0.244409      1.939832
  N      -7.965095      1.263851      2.782525
  C      -9.175594      1.871943      2.906731
  H      -4.761068     -1.455655      4.790230
  H      -5.259996     -0.200190      3.666665
  H      -2.761355     -1.965977      3.337056
  H      -4.315534     -2.210267      2.531617
  H      -2.650405     -1.096593      1.044638
  H      -2.508119      0.265298      2.205107
  H      -5.693586     -0.252091     -0.947636
  H      -5.551360      1.189245     -2.984194
  H      -2.382136      4.400286     -2.180707
  H      -0.937129      4.984656     -0.190004
  H      -1.171023      3.629552      1.901856
  H      -2.070080      5.696552      4.168807
  H      -2.938863      5.488593      5.691921
  H      -4.506288      6.533163      4.375097
  H      -5.007251      4.857246      4.238640
  H      -3.203981      5.112357      2.086981
  H      -4.083697      6.664325      2.066488
  H      -6.083425      7.205570      2.985551
  H      -8.441837      7.914780      2.907771
  H     -10.747857      4.899557      0.319992
  H     -10.082044      2.818170     -0.944957
  H      -7.707861      2.045555     -0.827446
  H      -6.845213      2.266961      7.507111
  H      -6.804648      2.074770      5.751912
  H      -6.312157      4.683230      5.723919
  H      -7.080629      4.678777      7.315963
  H      -8.707491      5.135202      5.462815
  H      -9.137812      3.626340      6.328420
  H     -10.756860      4.387403      4.610937
  H     -12.625112      3.529254      3.239465
  H     -11.052030      0.016903      0.737394
  H      -8.793218     -1.096212      0.507700
  H      -6.875868     -0.212978      1.846498
  N      -5.213382      2.307351      3.254942
  H      -4.832900      1.635695      2.571644
  H      -5.209367      3.203943      2.749508
  H      -6.220334      2.041944      3.342943
102
Coordinates from ORCA-job orca E -6430.595313054452
  N      -3.549342      0.263778      4.803346
  Mo     -3.892790      2.209728      5.037144
  N      -4.987204      2.638767      6.586102
  C      -4.315846      2.822272      7.877001
  C      -3.135529      1.859775      7.945308
  N      -2.383295      1.903998      6.658898
  C      -1.703406      0.610157      6.362817
  C      -2.698965     -0.386369      5.803571
  C      -1.414234      3.035786      6.596344
  C      -1.273379      3.431238      5.128634
  N      -2.607594      3.706532      4.577249
  H      -2.134488     -1.228079      5.364262
  H      -3.323768     -0.821567      6.609781
  H      -0.933913      0.814459      5.606453
  H      -1.201105      0.227099      7.266790
  H      -0.613404      4.310218      5.036758
  H      -0.790508      2.619424      4.559526
  H      -1.839900      3.876840      7.161339
  H      -0.458935      2.749228      7.068858
  H      -5.007491      2.602719      8.707587
  H      -3.981019      3.867552      8.008445
  H      -3.518255      0.837123      8.066017
  H      -2.463067      2.081915      8.790616
  C      -4.375366     -0.706507      4.082111
  C      -3.646196     -1.439221      2.944920
  C      -3.174004     -0.525515      1.836185
  O      -4.364392      0.090471      1.244847
  C      -4.209879      0.859857      0.125987
  C      -5.037986      0.616806     -0.952861
  C      -4.953535      1.441840     -2.094819
  N      -4.115277      2.457165     -2.227977
  C      -3.298136      2.719093     -1.168785
  C      -2.392852      3.805727     -1.252343
  C      -1.586907      4.099547     -0.174636
  C      -1.702885      3.317267      0.997273
  N      -2.527415      2.289248      1.122239
  C      -3.304806      1.965250      0.052157
  C      -2.900864      5.141948      4.633122
  C      -4.204492      5.570174      3.968227
  C      -4.111849      5.661089      2.440962
  O      -5.167517      4.949531      1.753796
  C      -6.422844      5.451269      1.789764
  C      -6.817969      6.595498      2.462703
  C      -8.178255      6.976283      2.424603
  N      -9.134034      6.330301      1.778377
  C      -8.753166      5.215703      1.084591
  C      -9.721449      4.503885      0.335929
  C      -9.336433      3.387815     -0.373121
  C      -7.985639      2.975254     -0.319860
  N      -7.045407      3.601434      0.370851
  C      -7.412985      4.714649      1.058746
  C      -6.446810      2.712705      6.568821
  C      -7.007769      4.130545      6.349844
  C      -8.374976      4.112701      5.686985
  O      -8.225858      3.341168      4.473855
  C      -9.333692      2.961698      3.808316
  C     -10.585671      3.537945      3.934816
  C     -11.647995      3.041462      3.147107
  N     -11.559552      2.034643      2.292610
  C     -10.335509      1.442425      2.174437
  C     -10.179589      0.347108      1.290568
  C      -8.944555     -0.251032      1.165146
  C      -7.864299      0.244181      1.927248
  N      -7.965538      1.261122      2.772684
  C      -9.177892      1.864889      2.899637
  H      -4.757956     -1.459018      4.797422
  H      -5.263285     -0.205320      3.674979
  H      -2.762028     -1.966320      3.338036
  H      -4.317791     -2.211043      2.535355
  H      -2.657792     -1.091318      1.045406
  H      -2.513475      0.266303      2.210706
  H      -5.745155     -0.212621     -0.916599
  H      -5.609881      1.238692     -2.946952
  H      -2.365872      4.384325     -2.176999
  H      -0.875794      4.926017     -0.207464
  H      -1.096371      3.555962      1.876877
  H      -2.065802      5.696083      4.159515
  H      -2.925068      5.486591      5.687546
  H      -4.502539      6.537921      4.395925
  H      -5.003410      4.864166      4.238658
  H      -3.204884      5.159977      2.083582
  H      -4.097750      6.703831      2.088264
  H      -6.113219      7.204904      3.025076
  H      -8.483827      7.875317      2.970102
  H     -10.750910      4.864630      0.342058
  H     -10.055686      2.816807     -0.961039
  H      -7.667845      2.082995     -0.867461
  H      -6.846959      2.279799      7.503227
  H      -6.805294      2.074921      5.749092
  H      -6.314094      4.681250      5.699133
  H      -7.077362      4.691771      7.293876
  H      -8.711256      5.133266      5.444592
  H      -9.137804      3.628800      6.319932
  H     -10.762038      4.377261      4.605736
  H     -12.630448      3.515597      3.236285
  H     -11.051433      0.010063      0.727559
  H      -8.789500     -1.095358      0.492403
  H      -6.873528     -0.210141      1.831433
  N      -5.216343      2.300569      3.251524
  H      -4.838416      1.625216      2.570370
  H      -5.212189      3.194241      2.740754
  H      -6.222675      2.035487      3.342558
102
Coordinates from ORCA-job orca E -6430.595268440678
  N      -3.569108      0.262147      4.806002
  Mo     -3.894461      2.213000      5.021105
  N      -4.986922      2.666116      6.565114
  C      -4.313185      2.860836      7.853360
  C      -3.142206      1.887733      7.934496
  N      -2.389363      1.907737      6.647806
  C      -1.725251      0.602064      6.368823
  C      -2.731716     -0.387886      5.817217
  C      -1.406169      3.026217      6.572007
  C      -1.260298      3.401911      5.099804
  N      -2.591599      3.690756      4.547333
  H      -2.176808     -1.242212      5.390242
  H      -3.365539     -0.805483      6.625676
  H      -0.950429      0.787107      5.612890
  H      -1.230934      0.223318      7.278972
  H      -0.588023      4.270350      4.997445
  H      -0.789820      2.577209      4.539126
  H      -1.821801      3.879371      7.126174
  H      -0.454641      2.733821      7.048499
  H      -5.006359      2.659582      8.687142
  H      -3.967687      3.904279      7.970204
  H      -3.535892      0.870851      8.068170
  H      -2.467485      2.113436      8.777029
  C      -4.392706     -0.706936      4.080382
  C      -3.656796     -1.440910      2.948158
  C      -3.173862     -0.525846      1.845592
  O      -4.359560      0.087409      1.242242
  C      -4.195963      0.863977      0.130201
  C      -5.017866      0.632514     -0.955932
  C      -4.922797      1.466580     -2.090500
  N      -4.080795      2.480664     -2.209407
  C      -3.271023      2.732101     -1.141935
  C      -2.364378      3.818605     -1.208414
  C      -1.567512      4.102602     -0.121278
  C      -1.692496      3.309294      1.042311
  N      -2.518478      2.280604      1.150880
  C      -3.287993      1.967638      0.072083
  C      -2.860470      5.131790      4.594226
  C      -4.166838      5.578568      3.947425
  C      -4.095325      5.674508      2.419062
  O      -5.160130      4.966501      1.742404
  C      -6.414715      5.468819      1.793828
  C      -6.802050      6.612239      2.472730
  C      -8.162530      6.993501      2.449770
  N      -9.124902      6.350231      1.810688
  C      -8.751556      5.237584      1.109802
  C      -9.727181      4.529276      0.367520
  C      -9.350398      3.413243     -0.346072
  C      -8.000130      2.997537     -0.304345
  N      -7.052955      3.620890      0.379634
  C      -7.412624      4.734145      1.071610
  C      -6.447219      2.733479      6.549800
  C      -7.016164      4.144717      6.310239
  C      -8.390901      4.108568      5.664383
  O      -8.251140      3.318596      4.462644
  C      -9.362809      2.919245      3.816648
  C     -10.622588      3.473899      3.961249
  C     -11.687314      2.959005      3.188804
  N     -11.592937      1.956653      2.329552
  C     -10.359907      1.387489      2.191918
  C     -10.194440      0.303118      1.296388
  C      -8.949636     -0.269401      1.149395
  C      -7.869242      0.239777      1.902279
  N      -7.978703      1.248174      2.756783
  C      -9.200693      1.826862      2.904226
  H      -4.780433     -1.458646      4.793557
  H      -5.277589     -0.204568      3.668282
  H      -2.776651     -1.969932      3.347816
  H      -4.326801     -2.211046      2.532973
  H      -2.644970     -1.087191      1.060238
  H      -2.521189      0.267666      2.230571
  H      -5.728802     -0.194056     -0.931073
  H      -5.573716      1.272097     -2.948739
  H      -2.329516      4.405031     -2.127830
  H      -0.857408      4.930251     -0.140341
  H      -1.093991      3.539873      1.929562
  H      -2.023216      5.667405      4.103374
  H      -2.861352      5.484595      5.646112
  H      -4.446680      6.548523      4.382094
  H      -4.970303      4.882165      4.228313
  H      -3.193246      5.175244      2.047289
  H      -4.085315      6.718548      2.069917
  H      -6.091061      7.220247      3.028425
  H      -8.461985      7.891561      3.000154
  H     -10.755918      4.891689      0.382882
  H     -10.076104      2.844350     -0.927958
  H      -7.688990      2.105254     -0.855806
  H      -6.842958      2.314239      7.492213
  H      -6.805265      2.080599      5.741327
  H      -6.332319      4.686475      5.641872
  H      -7.077932      4.722981      7.244515
  H      -8.736036      5.123040      5.408903
  H      -9.143275      3.630687      6.314186
  H     -10.803191      4.311511      4.633106
  H     -12.676444      3.415980      3.292345
  H     -11.066569     -0.045291      0.740843
  H      -8.786927     -1.104373      0.466883
  H      -6.871283     -0.194290      1.789536
  N      -5.219842      2.299703      3.236054
  H      -4.839468      1.630380      2.550404
  H      -5.222124      3.195213      2.728551
  H      -6.223073      2.026151      3.327222
102
Coordinates from ORCA-job orca E -6430.595300699574
  N      -3.584575      0.271354      4.809754
  Mo     -3.901482      2.222594      5.033743
  N      -4.994797      2.671714      6.578667
  C      -4.321992      2.861220      7.867856
  C      -3.154692      1.883346      7.947397
  N      -2.400376      1.904029      6.661534
  C      -1.742060      0.596446      6.378092
  C      -2.752212     -0.386113      5.820512
  C      -1.412628      3.018694      6.590760
  C      -1.261931      3.398735      5.120171
  N      -2.591355      3.693444      4.565894
  H      -2.200560     -1.241487      5.391411
  H      -3.389669     -0.803609      6.626134
  H      -0.964721      0.781141      5.624627
  H      -1.251410      0.211048      7.287474
  H      -0.586882      4.265594      5.023235
  H      -0.792181      2.574772      4.557657
  H      -1.826030      3.872195      7.146083
  H      -0.463116      2.721286      7.068289
  H      -5.016408      2.659917      8.700641
  H      -3.972929      3.903171      7.987977
  H      -3.552148      0.867505      8.077900
  H      -2.479970      2.104357      8.791190
  C      -4.406186     -0.692131      4.074508
  C      -3.666537     -1.420313      2.940761
  C      -3.179149     -0.500203      1.844031
  O      -4.362379      0.117086      1.239315
  C      -4.200278      0.886073      0.121469
  C      -5.035742      0.655049     -0.954498
  C      -4.945905      1.480644     -2.095454
  N      -4.095569      2.485585     -2.230910
  C      -3.271006      2.735844     -1.174658
  C      -2.352911      3.811461     -1.260597
  C      -1.539404      4.094799     -0.185727
  C      -1.660524      3.312830      0.985918
  N      -2.496728      2.294602      1.112790
  C      -3.282136      1.980638      0.045529
  C      -2.849187      5.136518      4.597919
  C      -4.153247      5.585377      3.947804
  C      -4.084111      5.664786      2.418349
  O      -5.153406      4.954541      1.750838
  C      -6.407137      5.458580      1.804831
  C      -6.790692      6.603959      2.482507
  C      -8.151033      6.986168      2.464173
  N      -9.116687      6.341753      1.831109
  C      -8.747067      5.227337      1.130879
  C      -9.726209      4.518416      0.393665
  C      -9.352685      3.402199     -0.321393
  C      -8.002259      2.986516     -0.285540
  N      -7.051997      3.610175      0.393763
  C      -7.408440      4.723561      1.087294
  C      -6.454909      2.739069      6.560060
  C      -7.023514      4.147566      6.306601
  C      -8.398342      4.104486      5.661808
  O      -8.253225      3.309648      4.463825
  C      -9.360582      2.910033      3.810684
  C     -10.621671      3.463645      3.947760
  C     -11.681483      2.946426      3.170036
  N     -11.581564      1.942107      2.313804
  C     -10.347350      1.373695      2.183868
  C     -10.176979      0.285563      1.293807
  C      -8.930846     -0.286092      1.154593
  C      -7.854296      0.227310      1.910070
  N      -7.968752      1.238306      2.760888
  C      -9.192100      1.816438      2.900454
  H      -4.798237     -1.447288      4.781628
  H      -5.288524     -0.186119      3.661351
  H      -2.788279     -1.952167      3.340750
  H      -4.335516     -2.187829      2.519022
  H      -2.649469     -1.059287      1.057595
  H      -2.526335      0.290596      2.233810
  H      -5.753392     -0.165221     -0.916556
  H      -5.608450      1.287031     -2.944987
  H      -2.322295      4.390224     -2.185043
  H      -0.818835      4.912922     -0.220609
  H      -1.047478      3.543348      1.863262
  H      -2.008754      5.661442      4.101049
  H      -2.847130      5.499458      5.646365
  H      -4.426267      6.561405      4.373138
  H      -4.960505      4.897008      4.236374
  H      -3.185519      5.156723      2.049732
  H      -4.069638      6.705115      2.058481
  H      -6.076864      7.212571      3.034099
  H      -8.447692      7.885589      3.013934
  H     -10.754730      4.881372      0.413025
  H     -10.080716      2.833430     -0.900580
  H      -7.693361      2.094048     -0.837906
  H      -6.853195      2.327150      7.504665
  H      -6.811127      2.079614      5.756495
  H      -6.341243      4.679609      5.628723
  H      -7.081552      4.737224      7.233932
  H      -8.747198      5.116385      5.401367
  H      -9.149400      3.626472      6.313133
  H     -10.807134      4.300901      4.618778
  H     -12.671890      3.401951      3.268065
  H     -11.046566     -0.067061      0.736890
  H      -8.764408     -1.123968      0.476509
  H      -6.855502     -0.206643      1.803813
  N      -5.224058      2.322048      3.247153
  H      -4.844057      1.653124      2.560619
  H      -5.223434      3.218925      2.741950
  H      -6.228259      2.050128      3.335418
102
Coordinates from ORCA-job orca E -6430.595279380527
  N      -3.545809      0.257511      4.812238
  Mo     -3.891303      2.203634      5.040623
  N      -4.987119      2.636379      6.587519
  C      -4.316256      2.824986      7.877927
  C      -3.135674      1.863066      7.950387
  N      -2.382571      1.903264      6.664248
  C      -1.701911      0.608721      6.372923
  C      -2.696251     -0.389773      5.814958
  C      -1.413795      3.035111      6.598184
  C      -1.272669      3.425213      5.128995
  N      -2.606832      3.699340      4.576870
  H      -2.130828     -1.232196      5.378250
  H      -3.321644     -0.823436      6.621567
  H      -0.931359      0.811048      5.617111
  H      -1.200757      0.228425      7.278695
  H      -0.612094      4.303362      5.033704
  H      -0.790505      2.610823      4.562903
  H      -1.840110      3.878063      7.159857
  H      -0.458669      2.750495      7.072200
  H      -5.008178      2.609006      8.709223
  H      -3.981273      3.870736      8.004966
  H      -3.517903      0.840636      8.074488
  H      -2.463817      2.088592      8.795277
  C      -4.368234     -0.714745      4.089821
  C      -3.636488     -1.442330      2.951147
  C      -3.168548     -0.524323      1.843989
  O      -4.361693      0.090407      1.256854
  C      -4.213613      0.861011      0.137854
  C      -5.046937      0.616331     -0.936611
  C      -4.970115      1.441083     -2.079200
  N      -4.133952      2.457376     -2.217462
  C      -3.311511      2.720977     -1.162864
  C      -2.406933      3.807694     -1.253008
  C      -1.595048      4.103301     -0.180294
  C      -1.705245      3.323522      0.993824
  N      -2.528748      2.295258      1.124832
  C      -3.311004      1.968426      0.059018
  C      -2.897716      5.135435      4.625357
  C      -4.203787      5.564103      3.965011
  C      -4.118961      5.650233      2.436789
  O      -5.180997      4.941445      1.756541
  C      -6.432788      5.451745      1.794845
  C      -6.818302      6.598883      2.468335
  C      -8.175825      6.989576      2.432722
  N      -9.137631      6.350014      1.789043
  C      -8.766232      5.232543      1.094714
  C      -9.740894      4.528262      0.347160
  C      -9.364824      3.410753     -0.364434
  C      -8.016872      2.988632     -0.313984
  N      -7.071077      3.607323      0.375805
  C      -7.429603      4.722256      1.065676
  C      -6.446534      2.712025      6.567978
  C      -7.004503      4.129824      6.341538
  C      -8.369635      4.111725      5.674164
  O      -8.216568      3.337961      4.462901
  C      -9.321812      2.959527      3.792454
  C     -10.573858      3.536827      3.913644
  C     -11.632830      3.042267      3.120227
  N     -11.541513      2.035677      2.265804
  C     -10.317784      1.441652      2.153643
  C     -10.159790      0.344551      1.272339
  C      -8.925370     -0.256277      1.154020
  C      -7.848019      0.237685      1.920999
  N      -7.951442      1.255832      2.764737
  C      -9.163101      1.862479      2.884475
  H      -4.748210     -1.469753      4.803909
  H      -5.257871     -0.216141      3.683421
  H      -2.749993     -1.966708      3.342650
  H      -4.305269     -2.215924      2.540315
  H      -2.652945     -1.087116      1.050637
  H      -2.508963      0.268014      2.218887
  H      -5.752246     -0.214508     -0.896508
  H      -5.630890      1.236703     -2.927599
  H      -2.384671      4.384508     -2.178908
  H      -0.882903      4.928691     -0.219051
  H      -1.093528      3.563516      1.869477
  H      -2.063864      5.684889      4.144265
  H      -2.915467      5.486298      5.677881
  H      -4.496282      6.534644      4.390312
  H      -5.004129      4.861932      4.242318
  H      -3.215472      5.145473      2.075582
  H      -4.103938      6.691999      2.081386
  H      -6.108060      7.203303      3.029261
  H      -8.473877      7.890687      2.978942
  H     -10.767702      4.896494      0.355155
  H     -10.088731      2.846408     -0.953019
  H      -7.706159      2.095173     -0.863691
  H      -6.848944      2.283793      7.503576
  H      -6.804556      2.071301      5.750469
  H      -6.307991      4.676626      5.690343
  H      -7.075639      4.695161      7.282984
  H      -8.704268      5.132048      5.428474
  H      -9.135067      3.629662      6.305375
  H     -10.752775      4.375392      4.584823
  H     -12.615302      3.517117      3.205311
  H     -11.029857      0.007599      0.706481
  H      -8.768766     -1.102189      0.483630
  H      -6.857951     -0.219444      1.831524
  N      -5.214239      2.286654      3.254473
  H      -4.829184      1.616352      2.572319
  H      -5.217998      3.181581      2.746029
  H      -6.217988      2.011446      3.344426
102
Coordinates from ORCA-job orca E -6430.595310622677
  N      -3.557813      0.263407      4.800691
  Mo     -3.895303      2.210801      5.030958
  N      -4.985792      2.646842      6.580791
  C      -4.310740      2.833269      7.869362
  C      -3.133925      1.866663      7.939096
  N      -2.383919      1.903469      6.651124
  C      -1.710193      0.605590      6.358842
  C      -2.710572     -0.388048      5.802660
  C      -1.410249      3.031038      6.583113
  C      -1.270856      3.421035      5.113826
  N      -2.605054      3.701142      4.564712
  H      -2.150046     -1.233509      5.365480
  H      -3.337167     -0.818262      6.610190
  H      -0.939883      0.803717      5.601668
  H      -1.209413      0.223027      7.263848
  H      -0.606545      4.296192      5.016967
  H      -0.793756      2.604606      4.546483
  H      -1.831694      3.875663      7.145956
  H      -0.455366      2.742157      7.054989
  H      -5.001323      2.620218      8.702492
  H      -3.971280      3.877704      7.995178
  H      -3.520019      0.845837      8.064446
  H      -2.459026      2.089623      8.782237
  C      -4.382879     -0.705335      4.076279
  C      -3.650339     -1.438599      2.941556
  C      -3.171737     -0.525226      1.835205
  O      -4.358246      0.092864      1.238520
  C      -4.196156      0.869055      0.125518
  C      -5.018864      0.635023     -0.959426
  C      -4.926759      1.467812     -2.095091
  N      -4.085664      2.482253     -2.216778
  C      -3.273628      2.735073     -1.151506
  C      -2.365084      3.819839     -1.222909
  C      -1.564526      4.104607     -0.138751
  C      -1.689061      3.315204      1.027486
  N      -2.516899      2.288373      1.141074
  C      -3.288686      1.973188      0.064331
  C      -2.889684      5.138534      4.612814
  C      -4.196059      5.570651      3.955841
  C      -4.114391      5.659106      2.427539
  O      -5.171735      4.942909      1.747565
  C      -6.428428      5.440871      1.788026
  C      -6.825876      6.581631      2.465488
  C      -8.187618      6.957667      2.432005
  N      -9.142527      6.310799      1.785406
  C      -8.759255      5.200335      1.086397
  C      -9.726442      4.488516      0.336343
  C      -9.339080      3.376343     -0.377533
  C      -7.986940      2.967685     -0.327779
  N      -7.047670      3.593971      0.364096
  C      -7.417623      4.703550      1.056534
  C      -6.445413      2.722672      6.566837
  C      -7.005216      4.139862      6.341443
  C      -8.375634      4.119162      5.685289
  O      -8.232919      3.339577      4.476672
  C      -9.344056      2.957896      3.818134
  C     -10.595269      3.534895      3.948492
  C     -11.660800      3.037426      3.165742
  N     -11.575630      2.030327      2.311223
  C     -10.352054      1.437927      2.188769
  C     -10.198683      0.343965      1.302733
  C      -8.963953     -0.253910      1.172796
  C      -7.881658      0.239597      1.933131
  N      -7.980437      1.255436      2.780148
  C      -9.192186      1.859518      2.910786
  H      -4.768634     -1.457803      4.789891
  H      -5.268909     -0.203017      3.666568
  H      -2.768415     -1.966953      3.338048
  H      -4.321207     -2.209417      2.528954
  H      -2.652700     -1.091428      1.046573
  H      -2.511595      0.265427      2.212954
  H      -5.727823     -0.193216     -0.932794
  H      -5.579241      1.272097     -2.951899
  H      -2.331268      4.404215     -2.143681
  H      -0.850469      4.928826     -0.162540
  H      -1.087216      3.546892      1.912179
  H      -2.055129      5.684477      4.128909
  H      -2.903245      5.490123      5.665146
  H      -4.486637      6.540806      4.383258
  H      -4.996440      4.869053      4.233805
  H      -3.207888      5.161206      2.064491
  H      -4.106964      6.701299      2.073104
  H      -6.122052      7.191612      3.028294
  H      -8.495107      7.853553      2.981548
  H     -10.757015      4.845949      0.345457
  H     -10.057457      2.805529     -0.966630
  H      -7.667356      2.078416     -0.879212
  H      -6.843556      2.295434      7.504688
  H      -6.806962      2.080921      5.751402
  H      -6.313921      4.685348      5.683772
  H      -7.069576      4.707573      7.281947
  H      -8.712213      5.138400      5.437668
  H      -9.135787      3.640084      6.325072
  H     -10.768296      4.376435      4.617461
  H     -12.642656      3.512255      3.257673
  H     -11.072120      0.007885      0.741611
  H      -8.810760     -1.097001      0.498088
  H      -6.891010     -0.214336      1.833654
  N      -5.223395      2.301163      3.249200
  H      -4.846152      1.627048      2.566587
  H      -5.221737      3.195479      2.739711
  H      -6.228759      2.034067      3.342870
102
Coordinates from ORCA-job orca E -6430.595302290314
  N      -3.574816      0.265577      4.812599
  Mo     -3.896933      2.216486      5.031757
  N      -4.992071      2.667354      6.574720
  C      -4.320238      2.860216      7.864067
  C      -3.151219      1.884762      7.946262
  N      -2.395872      1.904833      6.661006
  C      -1.733957      0.598312      6.381015
  C      -2.741067     -0.388132      5.824531
  C      -1.410505      3.021618      6.588594
  C      -1.260373      3.398668      5.117166
  N      -2.590004      3.690525      4.562105
  H      -2.186847     -1.242601      5.396939
  H      -3.377607     -0.806323      6.630533
  H      -0.956451      0.783247      5.627782
  H      -1.243094      0.216374      7.291724
  H      -0.586221      4.265949      5.017548
  H      -0.790018      2.573674      4.556687
  H      -1.826008      3.875099      7.142363
  H      -0.460574      2.727108      7.067024
  H      -5.014984      2.659562      8.696713
  H      -3.972931      3.902971      7.982147
  H      -3.546853      0.868377      8.078043
  H      -2.477658      2.108402      8.790289
  C      -4.395850     -0.700942      4.080740
  C      -3.657472     -1.428168      2.945732
  C      -3.176155     -0.507686      1.846773
  O      -4.362972      0.107280      1.247034
  C      -4.205319      0.878409      0.130186
  C      -5.041060      0.646902     -0.945387
  C      -4.954013      1.474528     -2.085183
  N      -4.106350      2.481886     -2.219577
  C      -3.282001      2.732903     -1.163271
  C      -2.366993      3.811202     -1.247677
  C      -1.554155      4.095050     -0.172414
  C      -1.672600      3.310771      0.997976
  N      -2.505769      2.289801      1.123195
  C      -3.290488      1.975709      0.055593
  C      -2.851427      5.132970      4.596904
  C      -4.157377      5.581511      3.950120
  C      -4.090759      5.665307      2.420747
  O      -5.160598      4.956569      1.752647
  C      -6.412394      5.466086      1.801168
  C      -6.793367      6.615210      2.473968
  C      -8.151710      7.004045      2.448571
  N      -9.117606      6.362867      1.812662
  C      -8.750424      5.244400      1.117691
  C      -9.729852      4.537794      0.378702
  C      -9.359198      3.415977     -0.329032
  C      -8.011314      2.992846     -0.284699
  N      -7.060738      3.614647      0.395924
  C      -7.414313      4.733322      1.082341
  C      -6.452300      2.733335      6.556408
  C      -7.022359      4.142692      6.309753
  C      -8.395458      4.101939      5.660855
  O      -8.249306      3.311010      4.460433
  C      -9.357115      2.910153      3.808843
  C     -10.618729      3.461837      3.948725
  C     -11.679156      2.944648      3.171893
  N     -11.579123      1.942429      2.313167
  C     -10.344285      1.376106      2.180182
  C     -10.173302      0.291474      1.286006
  C      -8.926579     -0.277941      1.143365
  C      -7.849922      0.234438      1.899374
  N      -7.964696      1.242651      2.753435
  C      -9.188650      1.818542      2.896430
  H      -4.783951     -1.456520      4.789609
  H      -5.280654     -0.197690      3.669590
  H      -2.776373     -1.956996      3.343537
  H      -4.325544     -2.198016      2.526848
  H      -2.648307     -1.065921      1.058492
  H      -2.523306      0.284519      2.233872
  H      -5.756780     -0.175083     -0.908128
  H      -5.616537      1.280341     -2.934592
  H      -2.338222      4.391483     -2.171224
  H      -0.836201      4.915534     -0.206060
  H      -1.060979      3.541848      1.876108
  H      -2.012918      5.660022      4.098926
  H      -2.847378      5.494677      5.645762
  H      -4.430215      6.556542      4.377912
  H      -4.963976      4.892135      4.238748
  H      -3.192029      5.159508      2.049619
  H      -4.078126      6.706631      2.063685
  H      -6.079019      7.222208      3.026580
  H      -8.446232      7.906697      2.994154
  H     -10.756530      4.906149      0.391882
  H     -10.087829      2.848295     -0.908538
  H      -7.704985      2.095864     -0.831203
  H      -6.849865      2.317080      7.499398
  H      -6.807907      2.077057      5.749838
  H      -6.338274      4.681405      5.639130
  H      -7.085531      4.725616      7.241030
  H      -8.743101      5.114934      5.402994
  H      -9.148138      3.622457      6.309166
  H     -10.804004      4.298407      4.620630
  H     -12.669920      3.398877      3.272106
  H     -11.042891     -0.059903      0.728343
  H      -8.759611     -1.113029      0.461998
  H      -6.850725     -0.197714      1.790554
  N      -5.219073      2.308451      3.244803
  H      -4.840481      1.636228      2.560811
  H      -5.216284      3.203375      2.736301
  H      -6.223901      2.039600      3.334772
102
Coordinates from ORCA-job orca E -6430.595322289649
  N      -3.573744      0.264603      4.813421
  Mo     -3.897413      2.215326      5.032888
  N      -4.991062      2.665672      6.577036
  C      -4.317890      2.859175      7.865540
  C      -3.148146      1.884489      7.946633
  N      -2.394221      1.904962      6.660493
  C      -1.731569      0.598971      6.379940
  C      -2.738548     -0.388262      5.824688
  C      -1.410002      3.022652      6.586760
  C      -1.261895      3.399663      5.115096
  N      -2.592377      3.689956      4.561463
  H      -2.184120     -1.242350      5.396610
  H      -3.373923     -0.806735      6.631471
  H      -0.955067      0.784466      5.625822
  H      -1.239415      0.217395      7.290101
  H      -0.588735      4.267596      5.014627
  H      -0.791299      2.574960      4.554334
  H      -1.825794      3.875901      7.140700
  H      -0.459312      2.729131      7.064282
  H      -5.011578      2.658521      8.699087
  H      -3.970875      3.902124      7.982818
  H      -3.542626      0.867760      8.079184
  H      -2.473820      2.109040      8.789814
  C      -4.393681     -0.702921      4.081630
  C      -3.653796     -1.431025      2.948146
  C      -3.172420     -0.511956      1.847882
  O      -4.359250      0.100795      1.245800
  C      -4.201707      0.873409      0.129770
  C      -5.033613      0.637952     -0.947929
  C      -4.948525      1.466453     -2.087133
  N      -4.105964      2.478328     -2.219256
  C      -3.285227      2.733166     -1.161149
  C      -2.375401      3.816049     -1.243622
  C      -1.566259      4.104008     -0.166687
  C      -1.683733      3.319605      1.003659
  N      -2.512169      2.294509      1.127257
  C      -3.292480      1.975748      0.057691
  C      -2.854581      5.132169      4.593356
  C      -4.160905      5.578712      3.945996
  C      -4.093739      5.664560      2.416701
  O      -5.161325      4.953556      1.747425
  C      -6.416106      5.454643      1.804467
  C      -6.802794      6.592594      2.492749
  C      -8.164006      6.971788      2.477181
  N      -9.127830      6.330754      1.837967
  C      -8.755236      5.223646      1.127840
  C      -9.732419      4.518862      0.384102
  C      -9.355737      3.410429     -0.341304
  C      -8.004127      2.998263     -0.309317
  N      -7.055699      3.617958      0.376058
  C      -7.415282      4.723832      1.079851
  C      -6.451062      2.735809      6.558863
  C      -7.016331      4.146665      6.309992
  C      -8.389022      4.109912      5.659789
  O      -8.243529      3.318512      4.459498
  C      -9.351309      2.924955      3.803135
  C     -10.609706      3.485361      3.937313
  C     -11.670204      2.975125      3.155944
  N     -11.573594      1.971051      2.299048
  C     -10.342393      1.395452      2.172439
  C     -10.175945      0.306491      1.282644
  C      -8.933144     -0.273347      1.147754
  C      -7.855986      0.232860      1.907156
  N      -7.966800      1.244552      2.757624
  C      -9.186719      1.830824      2.892891
  H      -4.781945     -1.458059      4.790900
  H      -5.278435     -0.200688      3.669149
  H      -2.772475     -1.958377      3.347372
  H      -4.320725     -2.202202      2.529855
  H      -2.644119     -1.071695      1.060929
  H      -2.520127      0.281308      2.233443
  H      -5.744672     -0.188165     -0.912815
  H      -5.608234      1.269244     -2.938032
  H      -2.347428      4.396440     -2.167121
  H      -0.851517      4.927334     -0.199132
  H      -1.074616      3.553690      1.882761
  H      -2.016511      5.659142      4.094604
  H      -2.851027      5.495536      5.641675
  H      -4.435552      6.553070      4.374256
  H      -4.966759      4.887843      4.233437
  H      -3.193390      5.162171      2.044654
  H      -4.084661      6.706457      2.061365
  H      -6.090883      7.197520      3.050868
  H      -8.463123      7.865108      3.035466
  H     -10.761943      4.878750      0.406753
  H     -10.082118      2.845190     -0.925970
  H      -7.692774      2.111962     -0.870170
  H      -6.849922      2.321937      7.502364
  H      -6.808649      2.079660      5.753215
  H      -6.330052      4.681574      5.638449
  H      -7.077549      4.731526      7.240159
  H      -8.733383      5.123900      5.401467
  H      -9.143898      3.632672      6.307214
  H     -10.792357      4.323089      4.608497
  H     -12.658322      3.436028      3.251751
  H     -11.045892     -0.040268      0.722620
  H      -8.769743     -1.112092      0.470019
  H      -6.859699     -0.207653      1.804553
  N      -5.221478      2.305518      3.247630
  H      -4.839004      1.637070      2.562120
  H      -5.224587      3.201846      2.741540
  H      -6.224608      2.030128      3.337503
102
Coordinates from ORCA-job orca E -6430.595290663107
  N      -3.554531      0.261765      4.794937
  Mo     -3.895842      2.208233      5.027910
  N      -4.985927      2.640665      6.578794
  C      -4.310389      2.826008      7.867259
  C      -3.131923      1.861334      7.934620
  N      -2.382560      1.901871      6.646365
  C      -1.705791      0.606103      6.351352
  C      -2.704041     -0.389317      5.794345
  C      -1.411611      3.032051      6.579620
  C      -1.274620      3.425114      5.110854
  N      -2.609840      3.702498      4.563241
  H      -2.141596     -1.232105      5.354472
  H      -3.328223     -0.823143      6.601828
  H      -0.936732      0.807625      5.593835
  H      -1.203196      0.223285      7.255244
  H      -0.612494      4.301965      5.014473
  H      -0.796092      2.610481      4.542064
  H      -1.834465      3.874519      7.144659
  H      -0.455625      2.744420      7.050014
  H      -5.000233      2.610415      8.700389
  H      -3.972702      3.870856      7.994551
  H      -3.515867      0.839499      8.058287
  H      -2.457086      2.084127      8.777869
  C      -4.382010     -0.706805      4.073149
  C      -3.653348     -1.440428      2.936479
  C      -3.173945     -0.526726      1.830706
  O      -4.358351      0.101841      1.241088
  C      -4.193022      0.881681      0.131061
  C      -5.018829      0.657933     -0.953678
  C      -4.921896      1.494385     -2.086289
  N      -4.072797      2.502455     -2.205458
  C      -3.256887      2.744507     -1.140657
  C      -2.338064      3.820749     -1.210244
  C      -1.532364      4.093841     -0.126894
  C      -1.662446      3.301974      1.037056
  N      -2.499919      2.282762      1.148958
  C      -3.276709      1.978621      0.072594
  C      -2.899280      5.138670      4.612213
  C      -4.208449      5.566115      3.957505
  C      -4.131076      5.647425      2.428560
  O      -5.191019      4.928866      1.755032
  C      -6.444609      5.435274      1.786689
  C      -6.835952      6.586600      2.449666
  C      -8.194402      6.973316      2.405670
  N      -9.151624      6.327058      1.761938
  C      -8.774379      5.205420      1.077639
  C      -9.743874      4.493598      0.330543
  C      -9.362490      3.370209     -0.368805
  C      -8.014247      2.950434     -0.307273
  N      -7.072927      3.576845      0.381659
  C      -7.436726      4.697345      1.059651
  C      -6.445220      2.719721      6.565717
  C      -7.001896      4.139116      6.345957
  C      -8.370023      4.123792      5.684740
  O      -8.225389      3.346813      4.474497
  C      -9.336073      2.965114      3.814713
  C     -10.586314      3.545045      3.941034
  C     -11.651861      3.046362      3.159074
  N     -11.567870      2.034558      2.310011
  C     -10.345484      1.438903      2.192009
  C     -10.194126      0.338443      1.313709
  C      -8.960757     -0.263266      1.188702
  C      -7.877760      0.233113      1.946101
  N      -7.974835      1.254728      2.786355
  C      -9.185293      1.862451      2.912382
  H      -4.766963     -1.458879      4.787686
  H      -5.268456     -0.203625      3.665326
  H      -2.772167     -1.971841      3.330500
  H      -4.327080     -2.208690      2.523769
  H      -2.662792     -1.094706      1.038125
  H      -2.506361      0.258245      2.207263
  H      -5.733741     -0.165253     -0.929309
  H      -5.577136      1.307131     -2.942910
  H      -2.300330      4.407923     -2.129086
  H      -0.809544      4.910458     -0.149758
  H      -1.056469      3.524751      1.921235
  H      -2.067658      5.687349      4.126359
  H      -2.912067      5.490745      5.664443
  H      -4.498577      6.538102      4.381193
  H      -5.007729      4.865099      4.240618
  H      -3.226002      5.146841      2.065646
  H      -4.123971      6.687840      2.068986
  H      -6.129684      7.197758      3.008158
  H      -8.496963      7.877959      2.943510
  H     -10.771331      4.860014      0.330297
  H     -10.082607      2.799111     -0.955532
  H      -7.699543      2.052261     -0.846940
  H      -6.843938      2.289491      7.501968
  H      -6.808218      2.082116      5.747842
  H      -6.307194      4.687221      5.693979
  H      -7.069131      4.701816      7.289267
  H      -8.703146      5.144565      5.438897
  H      -9.133497      3.644941      6.320711
  H     -10.758664      4.389463      4.606538
  H     -12.632902      3.523505      3.247688
  H     -11.068161      0.000347      0.754718
  H      -8.809162     -1.111445      0.520034
  H      -6.888102     -0.223885      1.850562
  N      -5.223652      2.298422      3.246228
  H      -4.844851      1.625333      2.563504
  H      -5.222596      3.193481      2.738007
  H      -6.229044      2.030547      3.339307
102
Coordinates from ORCA-job orca E -6430.595327605164
  N      -3.564538      0.263225      4.809275
  Mo     -3.895468      2.212230      5.034236
  N      -4.988945      2.655075      6.580395
  C      -4.315635      2.845504      7.869294
  C      -3.142540      1.874692      7.945797
  N      -2.389485      1.903104      6.659351
  C      -1.721111      0.601103      6.373586
  C      -2.724227     -0.389172      5.816542
  C      -1.410360      3.025654      6.589087
  C      -1.265398      3.408814      5.118640
  N      -2.597328      3.694481      4.566415
  H      -2.166296     -1.238826      5.384194
  H      -3.355961     -0.813852      6.622974
  H      -0.946710      0.792874      5.618911
  H      -1.225787      0.218900      7.281756
  H      -0.596229      4.280069      5.020180
  H      -0.791500      2.587904      4.555071
  H      -1.829373      3.874749      7.146979
  H      -0.457964      2.734428      7.064582
  H      -5.008329      2.639127      8.702309
  H      -3.972263      3.889206      7.990531
  H      -3.533081      0.855957      8.074482
  H      -2.468598      2.098412      8.789510
  C      -4.386212     -0.704949      4.080248
  C      -3.649664     -1.433631      2.945057
  C      -3.172089     -0.516052      1.841811
  O      -4.360317      0.098086      1.244145
  C      -4.203509      0.871723      0.128680
  C      -5.034285      0.636601     -0.949918
  C      -4.949023      1.466559     -2.088128
  N      -4.107305      2.479412     -2.218294
  C      -3.287520      2.733637     -1.159289
  C      -2.378315      3.817211     -1.239658
  C      -1.570035      4.104019     -0.161765
  C      -1.687639      3.317788      1.007349
  N      -2.515578      2.292056      1.129036
  C      -3.295074      1.974678      0.058525
  C      -2.868884      5.134747      4.604096
  C      -4.175945      5.575490      3.954055
  C      -4.104347      5.661933      2.424995
  O      -5.168103      4.948406      1.752269
  C      -6.422426      5.451971      1.796935
  C      -6.811983      6.595903      2.473610
  C      -8.172116      6.978141      2.444384
  N      -9.132355      6.334555      1.802392
  C      -8.756814      5.220975      1.104064
  C      -9.729910      4.512383      0.358601
  C      -9.350430      3.396660     -0.354025
  C      -8.000167      2.981374     -0.307820
  N      -7.055464      3.604819      0.379286
  C      -7.417714      4.717663      1.070591
  C      -6.448781      2.726942      6.563720
  C      -7.012423      4.140595      6.326659
  C      -8.383021      4.110872      5.671497
  O      -8.236807      3.325642      4.467127
  C      -9.345261      2.937221      3.808502
  C     -10.600565      3.505236      3.939260
  C     -11.662252      3.001211      3.155501
  N     -11.569571      1.996236      2.299230
  C     -10.341655      1.412987      2.176070
  C     -10.179784      0.322524      1.287268
  C      -8.940448     -0.265436      1.156013
  C      -7.862121      0.234314      1.917959
  N      -7.968709      1.247223      2.767537
  C      -9.185143      1.841526      2.899361
  H      -4.772276     -1.459912      4.790976
  H      -5.272246     -0.203135      3.669969
  H      -2.766866     -1.960299      3.341903
  H      -4.317645     -2.205457      2.529659
  H      -2.648560     -1.077877      1.053084
  H      -2.516490      0.276571      2.223216
  H      -5.744544     -0.190265     -0.916267
  H      -5.607901      1.269797     -2.939785
  H      -2.350177      4.399090     -2.162215
  H      -0.855647      4.927736     -0.192560
  H      -1.079566      3.551062      1.887342
  H      -2.032797      5.669006      4.109791
  H      -2.870793      5.494289      5.653783
  H      -4.456009      6.548584      4.381781
  H      -4.979837      4.880891      4.238789
  H      -3.201581      5.161510      2.056202
  H      -4.096565      6.703797      2.069564
  H      -6.103142      7.203793      3.032368
  H      -8.473433      7.876532      2.993280
  H     -10.758695      4.874878      0.370309
  H     -10.073665      2.828061     -0.939343
  H      -7.686788      2.089277     -0.858284
  H      -6.847368      2.305845      7.504150
  H      -6.807442      2.077879      5.752802
  H      -6.323145      4.682143      5.663585
  H      -7.077310      4.716163      7.262361
  H      -8.723869      5.127281      5.418110
  H      -9.141050      3.632098      6.314052
  H     -10.779642      4.344783      4.609139
  H     -12.647603      3.468634      3.248118
  H     -11.050462     -0.018809      0.725045
  H      -8.780638     -1.105581      0.479161
  H      -6.868309     -0.212356      1.818021
  N      -5.220430      2.302445      3.250091
  H      -4.841879      1.629301      2.567129
  H      -5.218647      3.197090      2.741134
  H      -6.225454      2.033885      3.341882
102
Coordinates from ORCA-job orca E -6430.595322645477
  N      -3.580304      0.264877      4.811853
  Mo     -3.899282      2.216737      5.027427
  N      -4.992289      2.672792      6.570438
  C      -4.318242      2.868939      7.858115
  C      -3.151171      1.891276      7.942228
  N      -2.397114      1.905765      6.656058
  C      -1.738582      0.596851      6.379395
  C      -2.748296     -0.388431      5.825463
  C      -1.409353      3.020159      6.579249
  C      -1.260222      3.392722      5.106584
  N      -2.590020      3.686249      4.552865
  H      -2.196262     -1.245305      5.399866
  H      -3.385786     -0.803017      6.632589
  H      -0.960643      0.777747      5.625633
  H      -1.248614      0.215927      7.291003
  H      -0.584057      4.257994      5.003517
  H      -0.792760      2.564861      4.547870
  H      -1.822547      3.876233      7.130773
  H      -0.459586      2.725005      7.057588
  H      -5.012229      2.673127      8.692545
  H      -3.968194      3.911288      7.971594
  H      -3.548478      0.876048      8.077837
  H      -2.476236      2.116494      8.784745
  C      -4.400395     -0.701546      4.078891
  C      -3.659744     -1.430075      2.946322
  C      -3.173015     -0.510317      1.849035
  O      -4.356311      0.108641      1.246457
  C      -4.193748      0.884282      0.133342
  C      -5.026843      0.657814     -0.945393
  C      -4.935885      1.489373     -2.081894
  N      -4.086365      2.495870     -2.210649
  C      -3.264209      2.741758     -1.151531
  C      -2.346489      3.818207     -1.230629
  C      -1.535507      4.097128     -0.152691
  C      -1.659096      3.310353      1.015423
  N      -2.494920      2.290852      1.135768
  C      -3.277146      1.980774      0.065048
  C      -2.845607      5.129694      4.578559
  C      -4.154295      5.578934      3.937841
  C      -4.096870      5.660697      2.407846
  O      -5.168398      4.947769      1.746944
  C      -6.422529      5.449822      1.809095
  C      -6.805582      6.587610      2.499679
  C      -8.166353      6.968568      2.488721
  N      -9.132837      6.329854      1.851237
  C      -8.763854      5.223090      1.138697
  C      -9.743946      4.521341      0.395937
  C      -9.371015      3.413053     -0.331612
  C      -8.020211      2.997990     -0.302794
  N      -7.069053      3.615076      0.381180
  C      -7.424936      4.720880      1.086999
  C      -6.452271      2.743575      6.552815
  C      -7.017401      4.153574      6.298843
  C      -8.391209      4.114246      5.651215
  O      -8.247644      3.318195      4.453815
  C      -9.356406      2.918738      3.802792
  C     -10.616746      3.473676      3.941311
  C     -11.678387      2.956563      3.166044
  N     -11.580930      1.951049      2.310909
  C     -10.347520      1.381218      2.179715
  C     -10.179616      0.291846      1.290700
  C      -8.934417     -0.281604      1.150621
  C      -7.856303      0.231302      1.904168
  N      -7.968365      1.243621      2.753724
  C      -9.190707      1.823627      2.893986
  H      -4.790910     -1.456326      4.787289
  H      -5.283760     -0.197924      3.665144
  H      -2.780751     -1.960337      3.346852
  H      -4.327717     -2.198823      2.525245
  H      -2.645282     -1.070096      1.061731
  H      -2.518460      0.279559      2.237719
  H      -5.743345     -0.163699     -0.913199
  H      -5.596619      1.299257     -2.933611
  H      -2.313925      4.400927     -2.152506
  H      -0.814547      4.915110     -0.182741
  H      -1.048592      3.537498      1.895408
  H      -2.008512      5.650284      4.071501
  H      -2.833344      5.498356      5.624955
  H      -4.422665      6.555587      4.364880
  H      -4.960911      4.892018      4.232452
  H      -3.198638      5.157977      2.031187
  H      -4.090719      6.701698      2.049866
  H      -6.091171      7.191069      3.056205
  H      -8.462587      7.861668      3.048889
  H     -10.772698      4.883234      0.421187
  H     -10.099786      2.849987     -0.915392
  H      -7.711919      2.111645     -0.865267
  H      -6.850629      2.333586      7.498211
  H      -6.810683      2.084336      5.750043
  H      -6.332094      4.685558      5.623968
  H      -7.077063      4.742340      7.226649
  H      -8.736278      5.127118      5.389465
  H      -9.144763      3.639375      6.301914
  H     -10.800183      4.312208      4.611264
  H     -12.668272      3.412879      3.265466
  H     -11.050350     -0.060128      0.735179
  H      -8.769816     -1.120345      0.473175
  H      -6.858219     -0.204126      1.797411
  N      -5.223321      2.306531      3.242194
  H      -4.840432      1.638707      2.556340
  H      -5.226891      3.203146      2.736621
  H      -6.226160      2.030330      3.331958
102
Coordinates from ORCA-job orca E -6430.595331258660
  N      -3.573789      0.264033      4.811278
  Mo     -3.897496      2.214704      5.031467
  N      -4.990903      2.664870      6.575815
  C      -4.317140      2.858575      7.863983
  C      -3.147867      1.883386      7.945000
  N      -2.394047      1.903623      6.658807
  C      -1.731752      0.597435      6.378242
  C      -2.738837     -0.389434      5.822348
  C      -1.409559      3.021165      6.584992
  C      -1.261853      3.398315      5.113320
  N      -2.592435      3.689133      4.560207
  H      -2.184442     -1.243329      5.393823
  H      -3.374305     -0.808346      6.628853
  H      -0.954904      0.782799      5.624460
  H      -1.240035      0.215548      7.288504
  H      -0.588293      4.265870      5.012372
  H      -0.791928      2.573262      4.552496
  H      -1.825054      3.874405      7.139181
  H      -0.458842      2.727330      7.062252
  H      -5.010662      2.658717      8.697867
  H      -3.969473      3.901386      7.980507
  H      -3.542645      0.866773      8.077558
  H      -2.473388      2.107715      8.788124
  C      -4.393943     -0.702906      4.078932
  C      -3.654278     -1.430650      2.945139
  C      -3.172330     -0.511435      1.845201
  O      -4.358389      0.103622      1.244089
  C      -4.199150      0.878623      0.129999
  C      -5.031367      0.647879     -0.948489
  C      -4.944124      1.479189     -2.085501
  N      -4.099058      2.489364     -2.214847
  C      -3.277762      2.739298     -1.156005
  C      -2.364817      3.819780     -1.235600
  C      -1.554850      4.102528     -0.157890
  C      -1.674565      3.315363      1.010378
  N      -2.505947      2.292332      1.131260
  C      -3.287159      1.978769      0.060864
  C      -2.853219      5.131578      4.589275
  C      -4.161642      5.578224      3.946037
  C      -4.099800      5.662347      2.416319
  O      -5.168031      4.948611      1.750917
  C      -6.422207      5.451681      1.804068
  C      -6.808349      6.593294      2.486582
  C      -8.168821      6.974942      2.466310
  N      -9.132343      6.333092      1.827490
  C      -8.760217      5.222180      1.123083
  C      -9.736951      4.516224      0.379864
  C      -9.360832      3.403513     -0.339246
  C      -8.010227      2.988450     -0.301674
  N      -7.062184      3.609451      0.383046
  C      -7.421184      4.719423      1.080654
  C      -6.450797      2.736314      6.558512
  C      -7.015036      4.147797      6.310763
  C      -8.387391      4.112256      5.659750
  O      -8.242469      3.319943      4.459992
  C      -9.350879      2.925941      3.804896
  C     -10.608658      3.487825      3.938507
  C     -11.669859      2.977534      3.158136
  N     -11.574377      1.972306      2.302455
  C     -10.343779      1.395318      2.176367
  C     -10.178457      0.305370      1.287567
  C      -8.936271     -0.275886      1.153179
  C      -7.858610      0.229830      1.912179
  N      -7.968351      1.242487      2.761641
  C      -9.187619      1.830271      2.896307
  H      -4.782546     -1.458332      4.787722
  H      -5.278500     -0.200168      3.666624
  H      -2.773144     -1.958486      3.344154
  H      -4.321432     -2.201394      2.526421
  H      -2.645462     -1.071628      1.057582
  H      -2.518437      0.280576      2.230711
  H      -5.744345     -0.176669     -0.915665
  H      -5.604211      1.285834     -2.936999
  H      -2.335145      4.402558     -2.157540
  H      -0.837587      4.923753     -0.188218
  H      -1.064996      3.545430      1.890218
  H      -2.016657      5.656340      4.085652
  H      -2.844892      5.497742      5.636617
  H      -4.433607      6.553619      4.373726
  H      -4.967467      4.888770      4.237331
  H      -3.199605      5.161324      2.042102
  H      -4.093967      6.703786      2.059613
  H      -6.096602      7.199570      3.043407
  H      -8.467497      7.871249      3.020032
  H     -10.765750      4.878410      0.398206
  H     -10.086934      2.837101     -0.923127
  H      -7.699424      2.098699     -0.857368
  H      -6.849385      2.322208      7.502029
  H      -6.809374      2.080995      5.752608
  H      -6.327866      4.683241      5.640513
  H      -7.076867      4.731691      7.241502
  H      -8.730493      5.126488      5.400706
  H      -9.143026      3.636248      6.307183
  H     -10.790137      4.327106      4.608062
  H     -12.657435      3.439729      3.253306
  H     -11.048776     -0.040940      0.727840
  H      -8.773741     -1.115394      0.476180
  H      -6.862766     -0.211793      1.809995
  N      -5.221838      2.305250      3.246807
  H      -4.841094      1.634917      2.562254
  H      -5.222659      3.201041      2.739802
  H      -6.225746      2.032755      3.337423
102
Coordinates from ORCA-job orca E -6430.595333424473
  N      -3.574020      0.263861      4.811909
  Mo     -3.897345      2.214640      5.031791
  N      -4.990959      2.665365      6.575853
  C      -4.317158      2.859545      7.863928
  C      -3.148363      1.883856      7.945575
  N      -2.394287      1.903318      6.659524
  C      -1.732461      0.596760      6.379586
  C      -2.739738     -0.389791      5.823412
  C      -1.409353      3.020478      6.585507
  C      -1.261277      3.397036      5.113731
  N      -2.591680      3.688314      4.560394
  H      -2.185517     -1.243955      5.395189
  H      -3.375658     -0.808389      6.629733
  H      -0.955156      0.781564      5.626140
  H      -1.241350      0.214878      7.290174
  H      -0.587240      4.264175      5.012436
  H      -0.791754      2.571469      4.553315
  H      -1.824671      3.874071      7.139291
  H      -0.458852      2.726450      7.063069
  H      -5.010821      2.660623      8.697918
  H      -3.968902      3.902241      7.979700
  H      -3.543570      0.867449      8.078433
  H      -2.473950      2.108239      8.788740
  C      -4.393805     -0.702940      4.078968
  C      -3.653712     -1.430308      2.945226
  C      -3.171862     -0.510967      1.845325
  O      -4.357984      0.103984      1.244243
  C      -4.199063      0.879339      0.130362
  C      -5.031777      0.648965     -0.947834
  C      -4.945015      1.480575     -2.084653
  N      -4.099955      2.490744     -2.214117
  C      -3.278168      2.740326     -1.155585
  C      -2.365189      3.820777     -1.235304
  C      -1.554756      4.103235     -0.157866
  C      -1.674076      3.315856      1.010292
  N      -2.505460      2.292834      1.131271
  C      -3.287064      1.979491      0.061109
  C      -2.850915      5.131051      4.586850
  C      -4.160146      5.578124      3.945449
  C      -4.100697      5.661814      2.415569
  O      -5.169175      4.947002      1.751759
  C      -6.423387      5.449924      1.805172
  C      -6.809691      6.590977      2.488518
  C      -8.170164      6.972636      2.468208
  N      -9.133502      6.331331      1.828565
  C      -8.761191      5.220981      1.123365
  C      -9.737682      4.515702      0.379181
  C      -9.361370      3.403506     -0.340627
  C      -8.010806      2.988295     -0.302841
  N      -7.062982      3.608719      0.382696
  C      -7.422183      4.718176      1.081015
  C      -6.450825      2.737141      6.558555
  C      -7.014794      4.148631      6.310262
  C      -8.386990      4.113007      5.658887
  O      -8.242014      3.320155      4.459496
  C      -9.350498      2.925865      3.804718
  C     -10.608312      3.487600      3.938598
  C     -11.669580      2.977315      3.158319
  N     -11.574091      1.972328      2.302356
  C     -10.343464      1.395453      2.176022
  C     -10.178112      0.305865      1.286785
  C      -8.935914     -0.275293      1.152151
  C      -7.858282      0.230120      1.911381
  N      -7.968022      1.242485      2.761200
  C      -9.187293      1.830235      2.896060
  H      -4.782573     -1.458620      4.787398
  H      -5.278280     -0.200188      3.666522
  H      -2.772460     -1.957877      3.344341
  H      -4.320543     -2.201249      2.526354
  H      -2.645024     -1.071163      1.057677
  H      -2.517950      0.281055      2.230761
  H      -5.744779     -0.175558     -0.914922
  H      -5.605527      1.287498     -2.935884
  H      -2.335872      4.403781     -2.157115
  H      -0.837418      4.924394     -0.188316
  H      -1.064231      3.545723      1.889981
  H      -2.014827      5.653802      4.080336
  H      -2.839850      5.499367      5.633419
  H      -4.430675      6.554018      4.372956
  H      -4.966151      4.889509      4.238414
  H      -3.200510      5.161704      2.040108
  H      -4.096538      6.703164      2.058609
  H      -6.098095      7.196819      3.046031
  H      -8.468985      7.868479      3.022602
  H     -10.766463      4.877937      0.397417
  H     -10.087289      2.837621     -0.925245
  H      -7.699860      2.098940     -0.859101
  H      -6.849464      2.323488      7.502252
  H      -6.809558      2.081600      5.752887
  H      -6.327325      4.683894      5.640166
  H      -7.076907      4.732786      7.240822
  H      -8.729894      5.127169      5.399279
  H      -9.142814      3.637424      6.306409
  H     -10.789726      4.326888      4.608163
  H     -12.657178      3.439425      3.253667
  H     -11.048427     -0.040254      0.726930
  H      -8.773356     -1.114509      0.474797
  H      -6.862440     -0.211460      1.809047
  N      -5.221580      2.304986      3.247203
  H      -4.841604      1.633585      2.563307
  H      -5.221285      3.200367      2.739492
  H      -6.225848      2.033838      3.338156
