102
Coordinates from ORCA-job orca E -6430.648056960051
  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      -4.232561      3.498206      2.481059
  H      -5.610531      3.073325      3.235876
  H      -4.734820      1.950403      2.447681
102
Coordinates from ORCA-job orca E -6430.668824347743
  N      -2.832690      0.500725      4.670155
  Mo     -3.532199      2.316921      4.827481
  N      -4.854921      1.967274      6.193825
  C      -4.397424      1.779661      7.573227
  C      -2.971758      1.226061      7.586558
  N      -2.139373      1.973785      6.616840
  C      -1.012381      1.160763      6.126761
  C      -1.542366      0.074156      5.168189
  C      -1.638731      3.235938      7.186613
  C      -1.695805      4.269546      6.058787
  N      -3.004970      4.138287      5.452074
  H      -0.815622     -0.073453      4.352869
  H      -1.640523     -0.890138      5.696857
  H      -0.334291      1.828155      5.582867
  H      -0.461556      0.705770      6.965848
  H      -1.520950      5.278667      6.458198
  H      -0.909209      4.060843      5.315071
  H      -2.309552      3.559340      7.990872
  H      -0.624476      3.118680      7.594639
  H      -5.055328      1.076194      8.109988
  H      -4.435506      2.737915      8.122921
  H      -3.007592      0.175738      7.277178
  H      -2.538006      1.276004      8.597834
  C      -3.782318     -0.570665      4.449415
  C      -3.385487     -1.504789      3.283333
  C      -3.316732     -0.776177      1.947756
  O      -4.660326     -0.432958      1.554860
  C      -4.802096     -0.038362      0.236227
  C      -5.559987     -0.800135     -0.641109
  C      -5.712370     -0.356153     -1.962171
  N      -5.170070      0.756159     -2.444347
  C      -4.429948      1.519224     -1.600183
  C      -3.851026      2.729335     -2.055373
  C      -3.123265      3.503621     -1.164254
  C      -2.980211      3.066285      0.154939
  N      -3.494843      1.935196      0.619406
  C      -4.213683      1.165301     -0.231281
  C      -3.914447      5.230441      5.795461
  C      -5.005229      5.487606      4.752079
  C      -4.413178      5.992016      3.426623
  O      -5.137820      5.501657      2.304498
  C      -6.388042      5.927368      1.989647
  C      -7.013227      7.089618      2.406865
  C      -8.274711      7.396372      1.869591
  N      -8.905884      6.667690      0.962937
  C      -8.314379      5.513963      0.559802
  C      -8.930476      4.698664     -0.421465
  C      -8.324761      3.507383     -0.771489
  C      -7.149363      3.121313     -0.105994
  N      -6.522793      3.862149      0.790638
  C      -7.072800      5.066271      1.092379
  C      -6.296416      1.878307      6.070437
  C      -7.068730      3.034608      6.762894
  C      -8.292529      3.461318      5.962404
  O      -7.871678      4.012357      4.705382
  C      -8.819231      3.875570      3.708455
  C      -9.816868      4.824457      3.535519
  C     -10.753346      4.639272      2.515604
  N     -10.759666      3.594080      1.696762
  C      -9.799798      2.649027      1.861742
  C      -9.782016      1.514598      1.022009
  C      -8.803307      0.547341      1.215672
  C      -7.835700      0.749402      2.199556
  N      -7.798588      1.813462      3.005074
  C      -8.775931      2.747877      2.856070
  H      -3.886139     -1.190224      5.362586
  H      -4.763102     -0.127642      4.221224
  H      -2.402800     -1.947566      3.482866
  H      -4.125048     -2.310897      3.206480
  H      -2.876172     -1.425824      1.176228
  H      -2.711052      0.138071      2.032492
  H      -6.025458     -1.719952     -0.299589
  H      -6.303532     -0.938086     -2.669155
  H      -4.004494      3.023531     -3.089268
  H      -2.670915      4.442352     -1.468583
  H      -2.418504      3.651051      0.884229
  H      -3.345528      6.168339      5.911658
  H      -4.402104      5.015639      6.766057
  H      -5.730709      6.215062      5.131094
  H      -5.537800      4.545444      4.573161
  H      -3.411647      5.566307      3.272621
  H      -4.336505      7.088261      3.403489
  H      -6.553389      7.771387      3.114628
  H      -8.787962      8.305314      2.183786
  H      -9.865526      5.027764     -0.862617
  H      -8.756692      2.849263     -1.519672
  H      -6.697446      2.150131     -0.304034
  H      -6.653807      0.924828      6.503704
  H      -6.555723      1.884393      4.994140
  H      -6.406599      3.903125      6.858677
  H      -7.405003      2.737566      7.762797
  H      -8.868354      4.228555      6.504430
  H      -8.948815      2.595685      5.782771
  H      -9.858167      5.698090      4.179251
  H     -11.537244      5.375811      2.345926
  H     -10.542445      1.422542      0.252589
  H      -8.770569     -0.344910      0.597132
  H      -7.029341      0.029966      2.347012
  N      -4.665698      2.655888      3.047557
  H      -4.268084      3.371495      2.439215
  H      -5.629553      2.948468      3.226551
  H      -4.734928      1.815507      2.465920
102
Coordinates from ORCA-job orca E -6430.675432799144
  N      -2.879880      0.504840      4.657479
  Mo     -3.575536      2.326411      4.859929
  N      -4.894796      1.995380      6.230484
  C      -4.427548      1.797071      7.613362
  C      -3.013544      1.217263      7.616239
  N      -2.168669      1.956645      6.638807
  C      -1.050629      1.133041      6.126780
  C      -1.587606      0.066385      5.152970
  C      -1.639066      3.216769      7.201741
  C      -1.676804      4.241725      6.065022
  N      -2.998238      4.145157      5.464368
  H      -0.858288     -0.073724      4.335881
  H      -1.691466     -0.909545      5.665234
  H      -0.370485      1.808062      5.588988
  H      -0.493124      0.664523      6.959112
  H      -1.473545      5.252611      6.456149
  H      -0.894308      4.007698      5.321823
  H      -2.298920      3.555436      8.012718
  H      -0.622187      3.077354      7.607251
  H      -5.095842      1.102079      8.153986
  H      -4.446698      2.756223      8.169109
  H      -3.066394      0.166763      7.300717
  H      -2.571323      1.253751      8.628497
  C      -3.837512     -0.566925      4.412146
  C      -3.434691     -1.488750      3.235591
  C      -3.351109     -0.775947      1.893181
  O      -4.697646     -0.437429      1.482005
  C      -4.847076     -0.044027      0.163851
  C      -5.594161     -0.819849     -0.716337
  C      -5.766811     -0.369824     -2.036813
  N      -5.257132      0.768643     -2.522205
  C      -4.528172      1.545341     -1.669549
  C      -3.990440      2.785284     -2.108743
  C      -3.285214      3.579288     -1.207907
  C      -3.113959      3.128456      0.107209
  N      -3.584950      1.963517      0.559434
  C      -4.289634      1.180454     -0.299845
  C      -3.887392      5.260370      5.811057
  C      -4.964371      5.541148      4.761898
  C      -4.341067      6.025121      3.445019
  O      -5.061100      5.547858      2.307617
  C      -6.288442      6.013085      1.989241
  C      -6.866884      7.197632      2.418036
  C      -8.124837      7.555263      1.888328
  N      -8.796136      6.856147      0.979074
  C      -8.245859      5.673970      0.570061
  C      -8.909823      4.870624     -0.391947
  C      -8.365029      3.646046     -0.734962
  C      -7.182117      3.216639     -0.092820
  N      -6.509370      3.943513      0.788254
  C      -7.011797      5.174553      1.090683
  C      -6.344495      1.926446      6.092424
  C      -7.122458      3.086047      6.774978
  C      -8.342880      3.481652      5.960488
  O      -7.899954      3.997622      4.691758
  C      -8.803268      3.787003      3.671933
  C      -9.795531      4.707626      3.364349
  C     -10.672182      4.425522      2.303862
  N     -10.616456      3.316413      1.561328
  C      -9.649437      2.401721      1.860892
  C      -9.537848      1.213358      1.099064
  C      -8.560127      0.282142      1.434362
  C      -7.673151      0.569264      2.481354
  N      -7.711004      1.693548      3.208799
  C      -8.694020      2.592804      2.916172
  H      -3.945220     -1.193172      5.321698
  H      -4.822067     -0.123207      4.190533
  H      -2.449814     -1.934951      3.444478
  H      -4.174696     -2.300920      3.156718
  H      -2.903660     -1.435473      1.130489
  H      -2.745118      0.139775      1.971396
  H      -6.039016     -1.757084     -0.376200
  H      -6.353315     -0.969624     -2.741662
  H      -4.164461      3.091207     -3.141847
  H      -2.873236      4.547071     -1.499944
  H      -2.576720      3.735271      0.846875
  H      -3.288149      6.182126      5.928732
  H      -4.380525      5.062027      6.784393
  H      -5.677050      6.288247      5.137016
  H      -5.529781      4.615613      4.577842
  H      -3.346283      5.576072      3.304726
  H      -4.235154      7.123281      3.423272
  H      -6.372701      7.858888      3.131733
  H      -8.597760      8.487605      2.217562
  H      -9.847781      5.231357     -0.815856
  H      -8.855559      2.987975     -1.455139
  H      -6.773136      2.219082     -0.290969
  H      -6.709904      0.972001      6.521855
  H      -6.596509      1.932846      5.010158
  H      -6.461668      3.961802      6.870512
  H      -7.467215      2.799208      7.780684
  H      -8.942401      4.252914      6.476775
  H      -8.983259      2.598422      5.791277
  H      -9.874112      5.641491      3.923721
  H     -11.449029      5.146133      2.028824
  H     -10.224976      1.061464      0.265109
  H      -8.458581     -0.650712      0.875920
  H      -6.871807     -0.129518      2.737140
  N      -4.768868      2.687956      3.098168
  H      -4.390303      3.399886      2.463555
  H      -5.738648      2.978560      3.287636
  H      -4.846442      1.844725      2.512226
102
Coordinates from ORCA-job orca E -6430.680624316460
  N      -2.821216      0.519291      4.672119
  Mo     -3.540076      2.338329      4.882046
  N      -4.869971      2.018458      6.237918
  C      -4.408789      1.826141      7.629892
  C      -2.995903      1.246937      7.646882
  N      -2.139009      1.983503      6.668881
  C      -1.010802      1.161191      6.161025
  C      -1.528734      0.091988      5.184391
  C      -1.610830      3.258309      7.216420
  C      -1.635712      4.265615      6.061095
  N      -2.959054      4.167599      5.454916
  H      -0.787785     -0.046878      4.375873
  H      -1.631864     -0.886641      5.696186
  H      -0.332292      1.845624      5.629577
  H      -0.451544      0.700393      6.999717
  H      -1.431916      5.284180      6.438572
  H      -0.844834      4.019443      5.329536
  H      -2.276355      3.606156      8.021329
  H      -0.595750      3.120414      7.634107
  H      -5.082588      1.133282      8.170103
  H      -4.433858      2.788914      8.182808
  H      -3.040134      0.193823      7.332447
  H      -2.560976      1.286505      8.664589
  C      -3.778797     -0.561750      4.424883
  C      -3.374523     -1.494519      3.263531
  C      -3.282105     -0.812904      1.911854
  O      -4.630453     -0.474932      1.486523
  C      -4.758485     -0.093918      0.165834
  C      -5.492512     -0.877213     -0.721694
  C      -5.644955     -0.436608     -2.049422
  N      -5.129591      0.703332     -2.543273
  C      -4.412403      1.486000     -1.679030
  C      -3.874546      2.728943     -2.113053
  C      -3.193549      3.538266     -1.203417
  C      -3.038109      3.096299      0.120374
  N      -3.502801      1.921057      0.572686
  C      -4.190842      1.129143     -0.298453
  C      -3.868643      5.268831      5.796023
  C      -4.942637      5.489149      4.735956
  C      -4.322404      5.962124      3.420704
  O      -5.004114      5.430068      2.274091
  C      -6.251029      5.838973      1.977727
  C      -6.868302      6.975843      2.478915
  C      -8.153011      7.312642      1.991267
  N      -8.818177      6.647835      1.050471
  C      -8.225773      5.508237      0.567600
  C      -8.882877      4.737312     -0.424248
  C      -8.315937      3.548677     -0.840993
  C      -7.103350      3.116684     -0.248212
  N      -6.430010      3.815643      0.660843
  C      -6.963260      5.016252      1.040619
  C      -6.322776      1.953559      6.073664
  C      -7.109947      3.095115      6.766377
  C      -8.354376      3.484939      5.987264
  O      -7.986870      4.054195      4.708152
  C      -8.963373      3.880205      3.749761
  C      -9.994883      4.795040      3.586540
  C     -10.965388      4.555031      2.594113
  N     -10.956546      3.500800      1.767578
  C      -9.932368      2.603404      1.907666
  C      -9.835585      1.497663      1.023823
  C      -8.792453      0.589978      1.177734
  C      -7.826050      0.817214      2.173499
  N      -7.847121      1.865638      3.013402
  C      -8.889889      2.742479      2.894436
  H      -3.889582     -1.172918      5.344722
  H      -4.766817     -0.124173      4.200308
  H      -2.388940     -1.941715      3.484802
  H      -4.115259     -2.311925      3.200037
  H      -2.833634     -1.489698      1.163021
  H      -2.673756      0.103451      1.971409
  H      -5.944660     -1.814797     -0.381130
  H      -6.223462     -1.048878     -2.754935
  H      -4.036865      3.030435     -3.152945
  H      -2.791372      4.514796     -1.494907
  H      -2.531497      3.723546      0.869983
  H      -3.280902      6.200521      5.908897
  H      -4.362806      5.078896      6.771472
  H      -5.687797      6.215851      5.094700
  H      -5.482169      4.545913      4.565134
  H      -3.306331      5.555319      3.305974
  H      -4.261972      7.066172      3.378891
  H      -6.384107      7.615053      3.224461
  H      -8.649347      8.209797      2.387970
  H      -9.844911      5.090999     -0.807472
  H      -8.814998      2.910039     -1.577465
  H      -6.678528      2.139006     -0.511861
  H      -6.683202      0.990481      6.491358
  H      -6.567634      1.967842      4.991547
  H      -6.454922      3.977671      6.878057
  H      -7.442576      2.790749      7.775047
  H      -8.950625      4.229637      6.548096
  H      -8.989140      2.595516      5.817021
  H     -10.035769      5.699059      4.203283
  H     -11.777221      5.278948      2.444318
  H     -10.580343      1.401282      0.227438
  H      -8.695277     -0.275235      0.513261
  H      -6.971426      0.136690      2.273595
  N      -4.770207      2.687109      3.110103
  H      -4.411626      3.392910      2.446298
  H      -5.752542      2.961634      3.287346
  H      -4.832329      1.834350      2.528995
102
Coordinates from ORCA-job orca E -6430.686070629865
  N      -2.790156      0.498006      4.672613
  Mo     -3.538203      2.303318      4.880612
  N      -4.871418      1.994071      6.233800
  C      -4.420959      1.823974      7.626547
  C      -3.005142      1.255404      7.656157
  N      -2.149622      1.983941      6.677608
  C      -1.013364      1.165532      6.188149
  C      -1.508623      0.084006      5.213736
  C      -1.637476      3.269864      7.206058
  C      -1.648778      4.251341      6.030642
  N      -2.961711      4.145761      5.411801
  H      -0.752911     -0.060441      4.421935
  H      -1.616104     -0.888851      5.731701
  H      -0.335504      1.851275      5.662364
  H      -0.459910      0.719032      7.034694
  H      -1.449711      5.275430      6.389348
  H      -0.850462      3.992503      5.314689
  H      -2.314640      3.628240      7.993481
  H      -0.631127      3.143056      7.640820
  H      -5.092727      1.135517      8.171343
  H      -4.456511      2.791665      8.164518
  H      -3.036304      0.200768      7.351428
  H      -2.576702      1.308829      8.672908
  C      -3.734617     -0.587200      4.425188
  C      -3.330152     -1.515756      3.268912
  C      -3.258506     -0.823315      1.923817
  O      -4.614031     -0.483725      1.532300
  C      -4.768455     -0.086054      0.221856
  C      -5.527853     -0.858482     -0.650527
  C      -5.715070     -0.410036     -1.966404
  N      -5.210846      0.724170     -2.465383
  C      -4.468635      1.495315     -1.619359
  C      -3.940027      2.730641     -2.068309
  C      -3.231255      3.532296     -1.181547
  C      -3.039525      3.089007      0.134532
  N      -3.492303      1.919907      0.602061
  C      -4.209732      1.136505     -0.248912
  C      -3.872212      5.239609      5.765145
  C      -4.946682      5.488888      4.712947
  C      -4.325265      6.006039      3.416864
  O      -4.992882      5.503414      2.248043
  C      -6.241997      5.919468      1.952021
  C      -6.859390      7.052096      2.457771
  C      -8.138849      7.395742      1.970427
  N      -8.804573      6.740948      1.031891
  C      -8.219176      5.603256      0.550030
  C      -8.886461      4.833127     -0.431666
  C      -8.329003      3.642796     -0.845010
  C      -7.113829      3.213293     -0.263737
  N      -6.435668      3.910326      0.635880
  C      -6.960067      5.107790      1.015212
  C      -6.317648      1.925663      6.064905
  C      -7.094195      3.073571      6.750087
  C      -8.342188      3.453671      5.975005
  O      -7.972543      4.013110      4.692211
  C      -8.943483      3.829894      3.728084
  C      -9.965300      4.750365      3.549102
  C     -10.929723      4.508953      2.557371
  N     -10.928264      3.451063      1.744604
  C      -9.913379      2.551769      1.893026
  C      -9.821260      1.446653      1.012885
  C      -8.783840      0.537388      1.170404
  C      -7.824500      0.760159      2.167806
  N      -7.842595      1.806304      3.004731
  C      -8.876407      2.687614      2.880789
  H      -3.845017     -1.193798      5.346784
  H      -4.723510     -0.155952      4.200678
  H      -2.344439     -1.959866      3.480143
  H      -4.063086     -2.336493      3.211372
  H      -2.823861     -1.492344      1.163010
  H      -2.654817      0.095735      1.977479
  H      -5.973404     -1.792613     -0.306015
  H      -6.312427     -1.012596     -2.657207
  H      -4.129890      3.032144     -3.099234
  H      -2.835907      4.502564     -1.486836
  H      -2.514784      3.713819      0.865307
  H      -3.279895      6.163873      5.897470
  H      -4.365463      5.039125      6.737248
  H      -5.690563      6.199953      5.097809
  H      -5.489586      4.555263      4.514013
  H      -3.307069      5.609889      3.304967
  H      -4.271803      7.107830      3.402304
  H      -6.377697      7.684158      3.202653
  H      -8.629891      8.289239      2.369562
  H      -9.848011      5.185989     -0.805543
  H      -8.836319      3.002449     -1.567302
  H      -6.690747      2.240604     -0.529576
  H      -6.681821      0.964771      6.480949
  H      -6.556429      1.936936      4.987929
  H      -6.440208      3.954452      6.849621
  H      -7.416754      2.783281      7.762587
  H      -8.936597      4.200645      6.530113
  H      -8.976477      2.565181      5.812043
  H      -9.998613      5.660381      4.149675
  H     -11.732381      5.234587      2.398964
  H     -10.556628      1.357044      0.212382
  H      -8.684985     -0.323572      0.507789
  H      -6.977710      0.076850      2.271686
  N      -4.774635      2.618934      3.098414
  H      -4.433530      3.320704      2.427920
  H      -5.763057      2.861304      3.262700
  H      -4.806897      1.762681      2.525514
102
Coordinates from ORCA-job orca E -6430.689550394774
  N      -2.824470      0.492174      4.653134
  Mo     -3.573056      2.293713      4.893302
  N      -4.895185      2.009007      6.261723
  C      -4.437352      1.848028      7.650915
  C      -3.030170      1.262830      7.668930
  N      -2.176238      1.972285      6.678388
  C      -1.052121      1.140071      6.185844
  C      -1.555336      0.064436      5.211495
  C      -1.646626      3.259442      7.185007
  C      -1.636968      4.216429      5.991390
  N      -2.951402      4.136490      5.374035
  H      -0.792461     -0.092383      4.428955
  H      -1.680454     -0.907040      5.727903
  H      -0.368504      1.820175      5.661305
  H      -0.499730      0.691076      7.031253
  H      -1.411551      5.242362      6.328595
  H      -0.845580      3.924505      5.281636
  H      -2.318340      3.640777      7.965585
  H      -0.644641      3.121011      7.625503
  H      -5.111347      1.171828      8.207997
  H      -4.458534      2.819816      8.181100
  H      -3.073494      0.207591      7.368342
  H      -2.590347      1.315853      8.680543
  C      -3.775007     -0.583829      4.392601
  C      -3.364236     -1.511698      3.239707
  C      -3.271409     -0.825303      1.891682
  O      -4.618128     -0.481778      1.469691
  C      -4.735153     -0.083926      0.155451
  C      -5.462224     -0.862971     -0.738864
  C      -5.608557     -0.421774     -2.060945
  N      -5.093685      0.711337     -2.547555
  C      -4.383830      1.488703     -1.680458
  C      -3.850435      2.725599     -2.116570
  C      -3.184354      3.538689     -1.209001
  C      -3.035657      3.103442      0.114269
  N      -3.486430      1.930633      0.570002
  C      -4.168188      1.138995     -0.301333
  C      -3.836824      5.248694      5.741147
  C      -4.925456      5.526597      4.709914
  C      -4.316423      6.027853      3.401379
  O      -5.001265      5.521236      2.242248
  C      -6.253347      5.939742      1.954839
  C      -6.871431      7.074526      2.455249
  C      -8.153287      7.413631      1.971532
  N      -8.825798      6.748597      1.046807
  C      -8.240903      5.606969      0.574182
  C      -8.912899      4.821717     -0.392470
  C      -8.349788      3.632901     -0.802656
  C      -7.123572      3.220325     -0.233372
  N      -6.444489      3.932347      0.650544
  C      -6.975434      5.123945      1.028965
  C      -6.342084      1.950725      6.105560
  C      -7.100923      3.112659      6.783616
  C      -8.356231      3.477361      6.016942
  O      -7.982141      4.019472      4.727769
  C      -8.944878      3.822748      3.759709
  C      -9.971027      4.734512      3.563908
  C     -10.926362      4.476300      2.568779
  N     -10.916419      3.407787      1.771880
  C      -9.894382      2.519961      1.933767
  C      -9.792766      1.402440      1.070964
  C      -8.743248      0.509552      1.238218
  C      -7.789230      0.753328      2.235273
  N      -7.822924      1.805703      3.061790
  C      -8.863474      2.674931      2.923333
  H      -3.900260     -1.189579      5.313097
  H      -4.759924     -0.145078      4.163546
  H      -2.384985     -1.962700      3.463982
  H      -4.096574     -2.331922      3.176782
  H      -2.830760     -1.501768      1.141602
  H      -2.665123      0.091797      1.944732
  H      -5.913128     -1.797866     -0.406244
  H      -6.179363     -1.031017     -2.767527
  H      -4.007269      3.020939     -3.154082
  H      -2.792963      4.512082     -1.505420
  H      -2.556922      3.742051      0.862485
  H      -3.218780      6.157330      5.863218
  H      -4.315844      5.063328      6.723308
  H      -5.646582      6.250337      5.113801
  H      -5.497359      4.609056      4.523220
  H      -3.304925      5.617591      3.284404
  H      -4.248092      7.127228      3.371437
  H      -6.388152      7.713081      3.191346
  H      -8.640843      8.309959      2.367737
  H      -9.879928      5.164309     -0.760084
  H      -8.856157      2.984747     -1.517112
  H      -6.688807      2.253803     -0.500758
  H      -6.713276      0.994826      6.526954
  H      -6.587552      1.953039      5.033221
  H      -6.445101      3.993329      6.860593
  H      -7.407132      2.844114      7.806712
  H      -8.952593      4.229552      6.561879
  H      -8.987652      2.585339      5.866552
  H     -10.014029      5.649961      4.153680
  H     -11.734559      5.193421      2.402195
  H     -10.529242      1.292356      0.274719
  H      -8.631983     -0.357287      0.586459
  H      -6.938477      0.077110      2.351043
  N      -4.848241      2.610807      3.123756
  H      -4.525115      3.308342      2.441067
  H      -5.840547      2.833178      3.291921
  H      -4.868912      1.752690      2.553779
102
Coordinates from ORCA-job orca E -6430.692473745393
  N      -2.785633      0.486639      4.656292
  Mo     -3.561527      2.275350      4.909486
  N      -4.891819      1.999256      6.271726
  C      -4.442911      1.852613      7.666020
  C      -3.035732      1.270542      7.693730
  N      -2.178715      1.973800      6.701557
  C      -1.045615      1.142404      6.223160
  C      -1.529876      0.061975      5.248187
  C      -1.658305      3.272154      7.192858
  C      -1.625630      4.204838      5.981762
  N      -2.932240      4.127490      5.345512
  H      -0.748399     -0.104489      4.485164
  H      -1.668378     -0.906249      5.769074
  H      -0.357468      1.824150      5.705894
  H      -0.499260      0.700162      7.077202
  H      -1.394902      5.236239      6.301395
  H      -0.826297      3.893168      5.289275
  H      -2.343433      3.666226      7.955909
  H      -0.664519      3.139318      7.655771
  H      -5.118027      1.179339      8.226650
  H      -4.469769      2.828971      8.188929
  H      -3.073075      0.213170      7.396994
  H      -2.599068      1.329310      8.707633
  C      -3.733877     -0.592217      4.392144
  C      -3.328546     -1.512619      3.233352
  C      -3.255773     -0.820770      1.887907
  O      -4.611402     -0.469590      1.494213
  C      -4.751847     -0.059739      0.186717
  C      -5.506321     -0.827513     -0.695735
  C      -5.678425     -0.379417     -2.012962
  N      -5.161478      0.750595     -2.506171
  C      -4.424461      1.516881     -1.649768
  C      -3.882499      2.747604     -2.095173
  C      -3.187971      3.551328     -1.200381
  C      -3.021348      3.114009      0.121325
  N      -3.475472      1.944670      0.584776
  C      -4.183269      1.161196     -0.275462
  C      -3.823618      5.235522      5.718936
  C      -4.917139      5.517253      4.692473
  C      -4.312944      6.023016      3.383659
  O      -4.995096      5.515678      2.220527
  C      -6.244804      5.943641      1.938807
  C      -6.851138      7.081707      2.448337
  C      -8.131706      7.437955      1.971585
  N      -8.819212      6.781011      1.050457
  C      -8.247228      5.633754      0.570486
  C      -8.934879      4.855966     -0.392736
  C      -8.382300      3.666975     -0.819658
  C      -7.148583      3.246307     -0.271268
  N      -6.457243      3.950675      0.610661
  C      -6.979139      5.140662      1.009249
  C      -6.339531      1.938531      6.106748
  C      -7.101721      3.105897      6.770785
  C      -8.361984      3.455601      6.004911
  O      -7.986247      3.993234      4.712880
  C      -8.944757      3.800056      3.740799
  C      -9.965421      4.717584      3.538482
  C     -10.914905      4.466383      2.534772
  N     -10.907742      3.395777      1.738878
  C      -9.890645      2.501648      1.907947
  C      -9.793197      1.377662      1.051232
  C      -8.747761      0.479648      1.224963
  C      -7.796763      0.720364      2.227121
  N      -7.830724      1.775331      3.051423
  C      -8.864396      2.651978      2.904026
  H      -3.858556     -1.199044      5.312670
  H      -4.722306     -0.154859      4.170104
  H      -2.345469     -1.963337      3.445861
  H      -4.056694     -2.338233      3.175426
  H      -2.833108     -1.496312      1.125876
  H      -2.647680      0.095751      1.931773
  H      -5.959351     -1.760432     -0.356862
  H      -6.271567     -0.981925     -2.709130
  H      -4.053926      3.045231     -3.130867
  H      -2.788232      4.518920     -1.508221
  H      -2.523589      3.749394      0.861609
  H      -3.204527      6.143976      5.843420
  H      -4.298795      5.049373      6.703388
  H      -5.638144      6.235813      5.108268
  H      -5.493880      4.601766      4.503717
  H      -3.298936      5.617043      3.271117
  H      -4.249599      7.123027      3.349775
  H      -6.357824      7.713019      3.186156
  H      -8.605089      8.339827      2.376321
  H      -9.904761      5.206895     -0.747881
  H      -8.899066      3.027506     -1.536199
  H      -6.718075      2.281947     -0.557566
  H      -6.715248      0.983528      6.528032
  H      -6.577612      1.932162      5.033040
  H      -6.450117      3.991590      6.834538
  H      -7.399227      2.852296      7.801561
  H      -8.964933      4.208039      6.543124
  H      -8.988495      2.558983      5.858242
  H     -10.008072      5.633044      4.129965
  H     -11.719255      5.189581      2.366348
  H     -10.531009      1.266513      0.254911
  H      -8.637251     -0.391307      0.576565
  H      -6.951850      0.035461      2.350804
  N      -4.846777      2.575231      3.126369
  H      -4.540816      3.277665      2.438237
  H      -5.851939      2.758729      3.278995
  H      -4.829478      1.714162      2.558446
102
Coordinates from ORCA-job orca E -6430.694961131569
  N      -2.783214      0.487553      4.650761
  Mo     -3.566413      2.269314      4.919548
  N      -4.896844      2.006467      6.286608
  C      -4.448671      1.869139      7.681905
  C      -3.044997      1.280412      7.708701
  N      -2.189569      1.971790      6.708496
  C      -1.059270      1.130122      6.241418
  C      -1.546118      0.048198      5.272026
  C      -1.666962      3.275293      7.185542
  C      -1.611989      4.189219      5.961926
  N      -2.912985      4.121993      5.312169
  H      -0.753388     -0.141379      4.526039
  H      -1.710315     -0.911839      5.800535
  H      -0.360916      1.802114      5.725711
  H      -0.521457      0.688383      7.101091
  H      -1.367376      5.221873      6.266927
  H      -0.812580      3.856252      5.279642
  H      -2.360220      3.684621      7.932888
  H      -0.681329      3.142717      7.665904
  H      -5.124652      1.202927      8.249686
  H      -4.470106      2.848962      8.198399
  H      -3.089344      0.221911      7.416793
  H      -2.602923      1.341309      8.720262
  C      -3.740513     -0.580730      4.376820
  C      -3.338207     -1.501549      3.218131
  C      -3.259720     -0.806116      1.875643
  O      -4.613461     -0.442498      1.483541
  C      -4.745049     -0.028343      0.176552
  C      -5.506872     -0.785139     -0.707916
  C      -5.668565     -0.335606     -2.026428
  N      -5.133144      0.785688     -2.516831
  C      -4.388475      1.541435     -1.658444
  C      -3.824954      2.762310     -2.104717
  C      -3.123600      3.557164     -1.208625
  C      -2.972489      3.121186      0.116062
  N      -3.445033      1.960441      0.578656
  C      -4.158306      1.184511     -0.283407
  C      -3.800172      5.230655      5.691344
  C      -4.896845      5.515202      4.668779
  C      -4.301714      6.018708      3.355466
  O      -4.985588      5.501067      2.197841
  C      -6.239189      5.925850      1.926104
  C      -6.844090      7.059858      2.446933
  C      -8.129183      7.416214      1.985487
  N      -8.826036      6.759535      1.071064
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  C      -8.957288      4.842126     -0.377821
  C      -8.406192      3.659126     -0.823144
  C      -7.161613      3.242797     -0.299846
  N      -6.459351      3.943442      0.577369
  C      -6.980874      5.126801      0.997714
  C      -6.345434      1.947693      6.127549
  C      -7.102173      3.123204      6.781189
  C      -8.370670      3.461969      6.022372
  O      -8.005705      3.993267      4.724635
  C      -8.965137      3.788363      3.756222
  C      -9.993304      4.698380      3.556223
  C     -10.942986      4.441409      2.554789
  N     -10.929951      3.371290      1.759416
  C      -9.907440      2.483641      1.926016
  C      -9.807208      1.359292      1.070410
  C      -8.755998      0.467131      1.240665
  C      -7.803435      0.713443      2.239394
  N      -7.842013      1.768555      3.062817
  C      -8.879992      2.640930      2.918977
  H      -3.879976     -1.188707      5.294114
  H      -4.723327     -0.132106      4.150282
  H      -2.359169     -1.960211      3.431102
  H      -4.069768     -2.323748      3.155782
  H      -2.845353     -1.484239      1.111592
  H      -2.644743      0.105420      1.920421
  H      -5.973717     -1.711183     -0.369709
  H      -6.267974     -0.929156     -2.724364
  H      -3.984808      3.058808     -3.142281
  H      -2.706090      4.515799     -1.520016
  H      -2.471593      3.751223      0.858223
  H      -3.179102      6.138042      5.814537
  H      -4.272472      5.045891      6.677187
  H      -5.614008      6.232986      5.092343
  H      -5.476770      4.601146      4.481958
  H      -3.284896      5.618970      3.244064
  H      -4.247615      7.118626      3.311335
  H      -6.346158      7.689194      3.183384
  H      -8.598180      8.316460      2.397749
  H      -9.933589      5.191563     -0.715061
  H      -8.930115      3.023307     -1.537467
  H      -6.731047      2.285070     -0.604400
  H      -6.725442      0.997306      6.555117
  H      -6.585938      1.932845      5.054296
  H      -6.452243      4.011324      6.821766
  H      -7.383590      2.886734      7.820412
  H      -8.973064      4.216649      6.557541
  H      -8.994953      2.562485      5.884661
  H     -10.041484      5.612533      4.148935
  H     -11.752093      5.159087      2.388307
  H     -10.549515      1.241451      0.279787
  H      -8.642326     -0.403323      0.592733
  H      -6.953848      0.033742      2.361923
  N      -4.855996      2.567036      3.130408
  H      -4.559518      3.277058      2.445978
  H      -5.868334      2.720677      3.274162
  H      -4.809526      1.706481      2.563265
102
Coordinates from ORCA-job orca E -6430.697085174304
  N      -2.772258      0.485074      4.651674
  Mo     -3.570605      2.256597      4.935299
  N      -4.898166      2.003108      6.309939
  C      -4.447906      1.878240      7.706741
  C      -3.044970      1.288209      7.731715
  N      -2.195414      1.969998      6.719014
  C      -1.064610      1.122355      6.262447
  C      -1.552531      0.035126      5.301608
  C      -1.673616      3.280419      7.179955
  C      -1.601001      4.173916      5.943625
  N      -2.898135      4.111808      5.283248
  H      -0.749965     -0.178073      4.572490
  H      -1.740393     -0.915104      5.840196
  H      -0.360087      1.786849      5.745413
  H      -0.531983      0.684240      7.127320
  H      -1.345077      5.208393      6.233376
  H      -0.802613      3.822198      5.269479
  H      -2.375938      3.703882      7.911005
  H      -0.695349      3.152769      7.677075
  H      -5.121926      1.217528      8.283244
  H      -4.466393      2.862163      8.215752
  H      -3.094497      0.227821      7.447025
  H      -2.595022      1.354417      8.739595
  C      -3.735325     -0.576679      4.368726
  C      -3.332037     -1.494393      3.207668
  C      -3.251116     -0.793581      1.868292
  O      -4.605608     -0.421053      1.482413
  C      -4.740916     -0.001163      0.177343
  C      -5.512674     -0.749472     -0.704501
  C      -5.677555     -0.296240     -2.022355
  N      -5.134871      0.821471     -2.512439
  C      -4.380946      1.569884     -1.655896
  C      -3.807823      2.786081     -2.104112
  C      -3.097242      3.574474     -1.210350
  C      -2.948130      3.137850      0.115511
  N      -3.429227      1.981442      0.578164
  C      -4.148656      1.209541     -0.282407
  C      -3.783356      5.219925      5.671331
  C      -4.888046      5.507377      4.658776
  C      -4.304302      6.000825      3.336794
  O      -4.995682      5.472206      2.188317
  C      -6.247825      5.902944      1.916801
  C      -6.846070      7.040968      2.437505
  C      -8.128475      7.406360      1.976663
  N      -8.830802      6.752383      1.063818
  C      -8.269392      5.606118      0.571463
  C      -8.975725      4.838803     -0.385922
  C      -8.430584      3.655244     -0.837871
  C      -7.185723      3.233268     -0.320927
  N      -6.476302      3.927180      0.556839
  C      -6.993304      5.110031      0.986344
  C      -6.347199      1.945988      6.153490
  C      -7.099213      3.133402      6.788521
  C      -8.368341      3.463937      6.027295
  O      -8.003884      3.986859      4.725353
  C      -8.963203      3.780858      3.758129
  C      -9.994620      4.688733      3.564667
  C     -10.947059      4.434512      2.564787
  N     -10.934337      3.367327      1.765715
  C      -9.909901      2.480725      1.926130
  C      -9.815181      1.356648      1.069798
  C      -8.763238      0.464558      1.232755
  C      -7.804193      0.710894      2.225573
  N      -7.838532      1.764854      3.050420
  C      -8.877935      2.637421      2.914979
  H      -3.885284     -1.188028      5.281761
  H      -4.714743     -0.121345      4.138633
  H      -2.353934     -1.955436      3.420498
  H      -4.063546     -2.316485      3.139864
  H      -2.844298     -1.471459      1.100044
  H      -2.631437      0.114339      1.915286
  H      -5.984479     -1.672750     -0.365107
  H      -6.285123     -0.883352     -2.718587
  H      -3.966522      3.082871     -3.141861
  H      -2.669308      4.527354     -1.526057
  H      -2.439474      3.763278      0.856360
  H      -3.161865      6.128151      5.788692
  H      -4.247517      5.035723      6.661040
  H      -5.596069      6.230156      5.089416
  H      -5.474373      4.596154      4.480556
  H      -3.287303      5.602013      3.223465
  H      -4.253078      7.100299      3.279969
  H      -6.345112      7.667544      3.174212
  H      -8.590289      8.310980      2.387310
  H      -9.951159      5.194581     -0.719178
  H      -8.958021      3.025415     -1.555073
  H      -6.759785      2.276251     -0.634344
  H      -6.733698      1.002576      6.590500
  H      -6.586260      1.920010      5.079592
  H      -6.447889      4.021789      6.805808
  H      -7.372319      2.918266      7.834531
  H      -8.970590      4.223453      6.555792
  H      -8.992420      2.563262      5.895643
  H     -10.044436      5.598815      4.163777
  H     -11.758402      5.150935      2.403775
  H     -10.565492      1.236567      0.286990
  H      -8.653831     -0.405785      0.583797
  H      -6.953709      0.032466      2.343478
  N      -4.866391      2.545750      3.141638
  H      -4.584483      3.266578      2.463228
  H      -5.885462      2.663268      3.277878
  H      -4.784250      1.686988      2.575215
102
Coordinates from ORCA-job orca E -6430.698860485703
  N      -2.771872      0.484510      4.648796
  Mo     -3.579399      2.249155      4.943771
  N      -4.902771      2.005617      6.328580
  C      -4.449087      1.891405      7.725593
  C      -3.047606      1.298209      7.747891
  N      -2.204194      1.969178      6.721913
  C      -1.075521      1.113828      6.273897
  C      -1.570180      0.021236      5.324414
  C      -1.679645      3.283796      7.168768
  C      -1.590190      4.159027      5.921531
  N      -2.884833      4.103926      5.253069
  H      -0.761571     -0.219545      4.610646
  H      -1.783952     -0.916459      5.875381
  H      -0.366059      1.769350      5.752400
  H      -0.546883      0.678842      7.142716
  H      -1.321638      5.193965      6.198109
  H      -0.794863      3.789198      5.253639
  H      -2.389184      3.721711      7.884294
  H      -0.708467      3.159281      7.680640
  H      -5.121873      1.236354      8.309880
  H      -4.463568      2.878903      8.227821
  H      -3.104651      0.236072      7.470955
  H      -2.588552      1.369586      8.751086
  C      -3.742766     -0.569016      4.358714
  C      -3.338184     -1.485420      3.196509
  C      -3.249878     -0.780207      1.859631
  O      -4.601975     -0.396247      1.474423
  C      -4.735119      0.028567      0.170812
  C      -5.515809     -0.708494     -0.711612
  C      -5.676343     -0.250596     -2.028981
  N      -5.120290      0.861354     -2.516699
  C      -4.357585      1.599268     -1.659013
  C      -3.768289      2.808239     -2.106082
  C      -3.047561      3.585837     -1.211775
  C      -2.906106      3.146778      0.114951
  N      -3.403455      1.997191      0.575662
  C      -4.129866      1.234037     -0.286447
  C      -3.765379      5.213627      5.648490
  C      -4.876366      5.502710      4.643140
  C      -4.300582      5.984687      3.313077
  O      -4.998887      5.445197      2.174021
  C      -6.250044      5.879338      1.903332
  C      -6.846190      7.014795      2.432066
  C      -8.129520      7.383845      1.977641
  N      -8.835928      6.733664      1.065110
  C      -8.276255      5.590701      0.563868
  C      -8.988545      4.829101     -0.393183
  C      -8.444476      3.649477     -0.856636
  C      -7.194359      3.227864     -0.352799
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  C      -6.352300      1.950505      6.177566
  C      -7.100009      3.147094      6.801127
  C      -8.374279      3.466042      6.044701
  O      -8.014273      3.979844      4.738136
  C      -8.975968      3.770694      3.775273
  C     -10.011864      4.674180      3.585411
  C     -10.964651      4.418944      2.585814
  N     -10.947697      3.353969      1.783950
  C      -9.920314      2.470496      1.942547
  C      -9.823514      1.347866      1.084835
  C      -8.769458      0.458560      1.245381
  C      -7.809344      0.707047      2.236818
  N      -7.845629      1.759521      3.063258
  C      -8.887860      2.629161      2.930644
  H      -3.903907     -1.183125      5.267699
  H      -4.717497     -0.105746      4.123465
  H      -2.361602     -1.948424      3.412048
  H      -4.070857     -2.305887      3.122403
  H      -2.848623     -1.458219      1.088781
  H      -2.623359      0.122645      1.911292
  H      -5.997459     -1.627118     -0.373332
  H      -6.291397     -0.828579     -2.726143
  H      -3.921566      3.107013     -3.144069
  H      -2.603731      4.531217     -1.528299
  H      -2.387558      3.763934      0.855703
  H      -3.142406      6.121952      5.759252
  H      -4.222786      5.031323      6.641620
  H      -5.575139      6.232877      5.076413
  H      -5.469151      4.593935      4.473046
  H      -3.283652      5.586399      3.197641
  H      -4.251800      7.083636      3.245075
  H      -6.344142      7.635914      3.172542
  H      -8.589926      8.286630      2.393702
  H      -9.966957      5.185961     -0.716495
  H      -8.976097      3.023005     -1.573749
  H      -6.769879      2.273899     -0.677261
  H      -6.742264      1.013033      6.624146
  H      -6.592614      1.916157      5.104260
  H      -6.448996      4.036025      6.793318
  H      -7.360726      2.950896      7.853668
  H      -8.976743      4.227641      6.569982
  H      -8.995196      2.562054      5.920986
  H     -10.065165      5.581711      4.188148
  H     -11.778860      5.132409      2.426160
  H     -10.575558      1.225884      0.303982
  H      -8.658847     -0.410434      0.594861
  H      -6.954956      0.033466      2.352160
  N      -4.874694      2.534115      3.145351
  H      -4.605463      3.269494      2.478183
  H      -5.899112      2.618130      3.273911
  H      -4.757861      1.681354      2.576169
102
Coordinates from ORCA-job orca E -6430.700333944740
  N      -2.770143      0.479430      4.650005
  Mo     -3.588922      2.237147      4.955378
  N      -4.904040      2.003280      6.353320
  C      -4.444636      1.903391      7.749360
  C      -3.043748      1.308850      7.768168
  N      -2.208852      1.967775      6.726520
  C      -1.082502      1.105959      6.284078
  C      -1.584861      0.006207      5.348973
  C      -1.681700      3.287051      7.157001
  C      -1.581122      4.143196      5.898032
  N      -2.875560      4.092584      5.226608
  H      -0.772549     -0.262347      4.649463
  H      -1.822164     -0.917224      5.914406
  H      -0.372290      1.753773      5.754428
  H      -0.553639      0.676657      7.155459
  H      -1.301336      5.178974      6.160256
  H      -0.790402      3.756421      5.234719
  H      -2.396539      3.738730      7.858516
  H      -0.716038      3.167466      7.680491
  H      -5.114878      1.254209      8.343010
  H      -4.456311      2.895312      8.242772
  H      -3.106548      0.244329      7.501638
  H      -2.574096      1.388802      8.765515
  C      -3.744998     -0.568929      4.350767
  C      -3.335838     -1.481935      3.187418
  C      -3.242601     -0.771292      1.854088
  O      -4.593412     -0.380292      1.471046
  C      -4.727706      0.050148      0.170207
  C      -5.515011     -0.678365     -0.712829
  C      -5.675256     -0.214796     -2.028375
  N      -5.112550      0.894593     -2.513678
  C      -4.343868      1.624702     -1.654676
  C      -3.745459      2.829595     -2.099721
  C      -3.016429      3.598263     -1.205304
  C      -2.877606      3.155753      0.121096
  N      -3.385394      2.010470      0.580290
  C      -4.116933      1.254377     -0.283518
  C      -3.751024      5.204364      5.630586
  C      -4.871243      5.497067      4.636176
  C      -4.306258      5.970405      3.297991
  O      -5.013364      5.422436      2.168333
  C      -6.261419      5.863987      1.895878
  C      -6.850443      7.003105      2.424578
  C      -8.132090      7.379164      1.971508
  N      -8.844331      6.731049      1.062184
  C      -8.291252      5.584983      0.560762
  C      -9.009293      4.827250     -0.395018
  C      -8.469768      3.647389     -0.862793
  C      -7.219069      3.221411     -0.364139
  N      -6.497691      3.905139      0.511883
  C      -7.012056      5.082415      0.960808
  C      -6.353557      1.949657      6.206173
  C      -7.096159      3.160979      6.806943
  C      -8.370410      3.469886      6.045953
  O      -8.007983      3.970326      4.734101
  C      -8.971259      3.762728      3.772744
  C     -10.011322      4.662960      3.591074
  C     -10.966813      4.409985      2.593468
  N     -10.950715      3.348109      1.787762
  C      -9.920892      2.466416      1.939621
  C      -9.830969      1.342217      1.083227
  C      -8.775923      0.453520      1.236653
  C      -7.807570      0.704356      2.219397
  N      -7.838151      1.756852      3.046171
  C      -8.882611      2.625397      2.921857
  H      -3.915208     -1.186529      5.255412
  H      -4.716465     -0.101045      4.110347
  H      -2.358882     -1.942736      3.405692
  H      -4.066627     -2.303388      3.107068
  H      -2.844291     -1.446975      1.079853
  H      -2.612439      0.128604      1.911249
  H      -6.001257     -1.595264     -0.376719
  H      -6.295647     -0.786170     -2.726087
  H      -3.896940      3.131189     -3.137110
  H      -2.561904      4.538640     -1.521410
  H      -2.349254      3.765901      0.860467
  H      -3.125697      6.112000      5.734714
  H      -4.199263      5.023335      6.627995
  H      -5.558652      6.235100      5.074076
  H      -5.472149      4.591793      4.475259
  H      -3.290010      5.572538      3.177121
  H      -4.259657      7.068888      3.221937
  H      -6.344659      7.621087      3.164868
  H      -8.587140      8.285140      2.386310
  H      -9.986956      5.188880     -0.715184
  H      -9.003828      3.025519     -1.581870
  H      -6.797707      2.268242     -0.694747
  H      -6.748256      1.021777      6.668615
  H      -6.593038      1.899574      5.134107
  H      -6.441859      4.046937      6.773954
  H      -7.351799      2.989927      7.864920
  H      -8.973309      4.236826      6.562794
  H      -8.991055      2.564609      5.930244
  H     -10.067514      5.565349      4.201166
  H     -11.784067      5.121178      2.440042
  H     -10.591812      1.216550      0.311572
  H      -8.671409     -0.416866      0.587165
  H      -6.951497      0.032040      2.328683
  N      -4.889508      2.513666      3.156094
  H      -4.639920      3.266368      2.501245
  H      -5.917540      2.561938      3.280937
  H      -4.738571      1.671200      2.579790
102
Coordinates from ORCA-job orca E -6430.701576445932
  N      -2.778071      0.475465      4.648085
  Mo     -3.601961      2.230149      4.962127
  N      -4.907968      2.005381      6.373879
  C      -4.442110      1.916023      7.767865
  C      -3.042542      1.318836      7.782538
  N      -2.215449      1.966075      6.726990
  C      -1.094030      1.096795      6.286313
  C      -1.608515     -0.008702      5.366951
  C      -1.682967      3.287869      7.143495
  C      -1.574153      4.128627      5.874987
  N      -2.869680      4.084361      5.203937
  H      -0.795438     -0.306476      4.680200
  H      -1.869764     -0.916199      5.947781
  H      -0.384735      1.736544      5.745889
  H      -0.562397      0.672405      7.158405
  H      -1.282362      5.164253      6.124979
  H      -0.789402      3.725879      5.214441
  H      -2.400239      3.752036      7.834295
  H      -0.721269      3.170677      7.674939
  H      -5.110443      1.271838      8.369229
  H      -4.450357      2.911200      8.254894
  H      -3.111323      0.252230      7.525841
  H      -2.562845      1.406511      8.774312
  C      -3.756796     -0.567775      4.340439
  C      -3.342786     -1.479323      3.176972
  C      -3.241615     -0.764932      1.846112
  O      -4.589068     -0.364413      1.461391
  C      -4.720783      0.072667      0.163169
  C      -5.514266     -0.645565     -0.722631
  C      -5.671391     -0.174847     -2.036053
  N      -5.100400      0.932020     -2.516919
  C      -4.325982      1.652565     -1.654803
  C      -3.717328      2.853876     -2.095359
  C      -2.979950      3.611484     -1.198821
  C      -2.845036      3.163154      0.126294
  N      -3.364929      2.022053      0.582154
  C      -4.101385      1.274813     -0.285304
  C      -3.737946      5.200915      5.612488
  C      -4.864636      5.496036      4.625357
  C      -4.306561      5.956786      3.279031
  O      -5.021749      5.400492      2.158356
  C      -6.267145      5.847811      1.883414
  C      -6.853925      6.986049      2.416651
  C      -8.134899      7.366180      1.965095
  N      -8.849018      6.721976      1.054424
  C      -8.297100      5.577845      0.547087
  C      -9.017367      4.824270     -0.410721
  C      -8.478083      3.647402     -0.886139
  C      -7.224463      3.220932     -0.395071
  N      -6.501548      3.900186      0.483193
  C      -7.017353      5.073031      0.942230
  C      -6.358140      1.954146      6.234183
  C      -7.095088      3.175959      6.822192
  C      -8.373561      3.473057      6.064122
  O      -8.011427      3.958959      4.747092
  C      -8.976852      3.750365      3.788821
  C     -10.020174      4.647059      3.608930
  C     -10.973698      4.393360      2.609600
  N     -10.953021      3.333560      1.801181
  C      -9.921710      2.453698      1.953874
  C      -9.828993      1.329803      1.097223
  C      -8.773304      0.442267      1.252330
  C      -7.806230      0.694623      2.235899
  N      -7.839059      1.747025      3.062803
  C      -8.884895      2.613916      2.937302
  H      -3.936109     -1.187805      5.241562
  H      -4.724732     -0.095165      4.094224
  H      -2.366088     -1.938514      3.399829
  H      -4.072676     -2.300928      3.090822
  H      -2.845455     -1.439668      1.069938
  H      -2.606091      0.130706      1.908982
  H      -6.007130     -1.560428     -0.390540
  H      -6.296792     -0.738271     -2.735929
  H      -3.866349      3.160537     -3.131696
  H      -2.514104      4.547499     -1.511511
  H      -2.306182      3.764572      0.865311
  H      -3.108601      6.106680      5.709115
  H      -4.179613      5.024518      6.613693
  H      -5.540760      6.244319      5.063537
  H      -5.474788      4.595055      4.474791
  H      -3.291602      5.556801      3.154678
  H      -4.259689      7.054492      3.193815
  H      -6.347724      7.598748      3.160970
  H      -8.588965      8.271316      2.383072
  H      -9.996254      5.187065     -0.725949
  H      -9.013855      3.028377     -1.606553
  H      -6.802841      2.270602     -0.733606
  H      -6.754666      1.033660      6.709870
  H      -6.600827      1.893013      5.163575
  H      -6.439684      4.059842      6.765759
  H      -7.341341      3.024810      7.885290
  H      -8.977773      4.243059      6.574873
  H      -8.991338      2.564630      5.957766
  H     -10.080699      5.547233      4.221934
  H     -11.792500      5.102778      2.455634
  H     -10.589238      1.202893      0.325117
  H      -8.667597     -0.428327      0.603245
  H      -6.948393      0.024555      2.345170
  N      -4.904342      2.503545      3.162362
  H      -4.675007      3.277705      2.525694
  H      -5.935103      2.518550      3.283665
  H      -4.722773      1.677919      2.570907
102
Coordinates from ORCA-job orca E -6430.702660481365
  N      -2.784763      0.468057      4.650637
  Mo     -3.610504      2.222497      4.969054
  N      -4.909335      2.010148      6.392499
  C      -4.439164      1.934324      7.784981
  C      -3.041395      1.333248      7.799599
  N      -2.219431      1.964593      6.730391
  C      -1.104953      1.084443      6.293020
  C      -1.633728     -0.027491      5.392047
  C      -1.679553      3.288639      7.130216
  C      -1.562782      4.112772      5.851366
  N      -2.859449      4.075032      5.181953
  H      -0.820625     -0.359183      4.721007
  H      -1.922661     -0.915155      5.990508
  H      -0.395999      1.713467      5.739931
  H      -0.570671      0.666306      7.166423
  H      -1.258319      5.147914      6.088217
  H      -0.784493      3.692890      5.194236
  H      -2.397948      3.766630      7.810266
  H      -0.721573      3.173267      7.668741
  H      -5.107080      1.297306      8.394477
  H      -4.444017      2.933785      8.263176
  H      -3.115927      0.263934      7.556414
  H      -2.553798      1.431579      8.786325
  C      -3.766750     -0.568998      4.330208
  C      -3.347056     -1.478958      3.167411
  C      -3.238520     -0.760165      1.839803
  O      -4.582980     -0.351666      1.453596
  C      -4.711179      0.092806      0.158567
  C      -5.510820     -0.613873     -0.730686
  C      -5.664095     -0.135067     -2.041623
  N      -5.083850      0.968703     -2.517301
  C      -4.303377      1.678215     -1.651527
  C      -3.682828      2.874918     -2.087171
  C      -2.935297      3.619128     -1.188582
  C      -2.804065      3.163688      0.134666
  N      -3.338554      2.028336      0.587347
  C      -4.082388      1.292567     -0.283751
  C      -3.719283      5.197294      5.593690
  C      -4.853922      5.495292      4.615891
  C      -4.307873      5.946478      3.260959
  O      -5.034151      5.382471      2.151021
  C      -6.278096      5.835168      1.878506
  C      -6.859441      6.974258      2.415662
  C      -8.141909      7.357338      1.971209
  N      -8.863437      6.714076      1.065958
  C      -8.316154      5.569942      0.553897
  C      -9.043184      4.818748     -0.400899
  C      -8.506157      3.644814     -0.885314
  C      -7.248143      3.217885     -0.406165
  N      -6.519762      3.894482      0.469534
  C      -7.033897      5.064076      0.938284
  C      -6.359896      1.960803      6.257994
  C      -7.091632      3.196163      6.824603
  C      -8.372050      3.481691      6.064762
  O      -8.010278      3.949838      4.741119
  C      -8.979195      3.738941      3.787005
  C     -10.029369      4.629114      3.615317
  C     -10.984967      4.373435      2.618657
  N     -10.962133      3.316270      1.807281
  C      -9.926325      2.440920      1.954190
  C      -9.836288      1.315362      1.099415
  C      -8.776929      0.431439      1.249245
  C      -7.804026      0.688714      2.225425
  N      -7.835353      1.741707      3.051750
  C      -8.884935      2.605067      2.931970
  H      -3.958231     -1.191531      5.226970
  H      -4.729753     -0.090434      4.075987
  H      -2.370868     -1.936814      3.394781
  H      -4.075838     -2.300725      3.075501
  H      -2.843371     -1.433057      1.061558
  H      -2.598913      0.132079      1.908817
  H      -6.010969     -1.526407     -0.403574
  H      -6.294435     -0.689648     -2.744009
  H      -3.829286      3.187601     -3.121989
  H      -2.456936      4.550067     -1.497153
  H      -2.252765      3.754642      0.872741
  H      -3.085170      6.100503      5.683014
  H      -4.153924      5.026355      6.598900
  H      -5.518005      6.252693      5.056800
  H      -5.473603      4.598842      4.476528
  H      -3.294122      5.546127      3.129134
  H      -4.263331      7.043505      3.168037
  H      -6.348292      7.584068      3.158759
  H      -8.591980      8.263049      2.391977
  H     -10.024084      5.182688     -0.708271
  H      -9.045373      3.029538     -1.606223
  H      -6.826763      2.271113     -0.754332
  H      -6.758769      1.050966      6.751923
  H      -6.604266      1.881617      5.189521
  H      -6.433983      4.076428      6.745050
  H      -7.332405      3.068669      7.891873
  H      -8.977178      4.256993      6.566116
  H      -8.988652      2.571165      5.969831
  H     -10.095284      5.524850      4.234087
  H     -11.808474      5.078455      2.470349
  H     -10.603126      1.182868      0.334957
  H      -8.673848     -0.440729      0.602059
  H      -6.943200      0.021564      2.329521
  N      -4.909652      2.492129      3.165687
  H      -4.701070      3.289103      2.550571
  H      -5.942289      2.474852      3.281414
  H      -4.698437      1.688031      2.555052
102
Coordinates from ORCA-job orca E -6430.703625093372
  N      -2.800280      0.461040      4.653950
  Mo     -3.624960      2.216799      4.979637
  N      -4.913149      2.014804      6.416458
  C      -4.435291      1.949933      7.806278
  C      -3.038993      1.345593      7.817377
  N      -2.224115      1.962535      6.734442
  C      -1.118626      1.072292      6.294677
  C      -1.664718     -0.044644      5.412855
  C      -1.675472      3.287857      7.117973
  C      -1.556894      4.097886      5.829976
  N      -2.856981      4.067406      5.167042
  H      -0.854408     -0.408685      4.755177
  H      -1.978329     -0.912484      6.028346
  H      -0.413165      1.691434      5.726128
  H      -0.577101      0.660056      7.166476
  H      -1.239198      5.132008      6.054255
  H      -0.787092      3.661899      5.173513
  H      -2.391331      3.777535      7.792459
  H      -0.718105      3.173025      7.657906
  H      -5.101114      1.319006      8.424538
  H      -4.435729      2.952883      8.277294
  H      -3.118345      0.273730      7.587584
  H      -2.542584      1.454301      8.798598
  C      -3.782525     -0.571659      4.318739
  C      -3.351791     -1.479674      3.157729
  C      -3.233900     -0.759338      1.831686
  O      -4.576052     -0.350543      1.437726
  C      -4.700090      0.100163      0.145107
  C      -5.498402     -0.601684     -0.749026
  C      -5.650892     -0.115580     -2.057521
  N      -5.072140      0.991603     -2.526216
  C      -4.293506      1.697073     -1.655408
  C      -3.674355      2.897116     -2.083998
  C      -2.925678      3.635135     -1.181677
  C      -2.793751      3.171885      0.139012
  N      -3.330053      2.035287      0.586230
  C      -4.072321      1.303484     -0.289939
  C      -3.706419      5.197017      5.579803
  C      -4.846501      5.497659      4.609132
  C      -4.308601      5.936498      3.246418
  O      -5.042949      5.364460      2.145489
  C      -6.284921      5.822082      1.872410
  C      -6.863487      6.960780      2.413456
  C      -8.145265      7.348234      1.970837
  N      -8.869171      6.709110      1.064524
  C      -8.323707      5.566598      0.546783
  C      -9.052250      4.821210     -0.411595
  C      -8.515648      3.650983     -0.905221
  C      -7.256009      3.221628     -0.432424
  N      -6.527141      3.892309      0.447610
  C      -7.041498      5.057596      0.926846
  C      -6.364571      1.968750      6.290425
  C      -7.089523      3.215479      6.840316
  C      -8.370725      3.490667      6.078204
  O      -8.005347      3.938615      4.748675
  C      -8.975024      3.726337      3.796151
  C     -10.030567      4.610943      3.629233
  C     -10.984701      4.354520      2.631274
  N     -10.956375      3.301277      1.815288
  C      -9.917073      2.429598      1.959668
  C      -9.824642      1.305384      1.103373
  C      -8.763214      0.423897      1.252081
  C      -7.790453      0.682487      2.228045
  N      -7.823840      1.734396      3.055565
  C      -8.875878      2.595378      2.937408
  H      -3.986019     -1.197050      5.210902
  H      -4.741219     -0.089444      4.054858
  H      -2.375741     -1.933973      3.392751
  H      -4.077075     -2.303789      3.059456
  H      -2.834179     -1.431068      1.054699
  H      -2.594337      0.132396      1.906264
  H      -5.998018     -1.516659     -0.427919
  H      -6.280121     -0.667026     -2.763480
  H      -3.821559      3.216091     -3.116830
  H      -2.445732      4.567316     -1.484119
  H      -2.236750      3.757195      0.877431
  H      -3.066120      6.096753      5.660671
  H      -4.135530      5.034311      6.588915
  H      -5.499252      6.264758      5.050518
  H      -5.475896      4.606279      4.481105
  H      -3.296270      5.533866      3.110645
  H      -4.264362      7.032621      3.143978
  H      -6.350755      7.566069      3.159207
  H      -8.592926      8.253656      2.394922
  H     -10.033511      5.187347     -0.715326
  H      -9.055574      3.041065     -1.630249
  H      -6.833486      2.279032     -0.790549
  H      -6.764856      1.068187      6.800086
  H      -6.613233      1.875031      5.224112
  H      -6.429678      4.092200      6.741873
  H      -7.325695      3.108013      7.910824
  H      -8.977310      4.271892      6.568460
  H      -8.986366      2.578230      5.994534
  H     -10.102882      5.502646      4.253114
  H     -11.811593      5.056277      2.485840
  H     -10.592602      1.170802      0.340370
  H      -8.659044     -0.448211      0.604900
  H      -6.928704      0.016629      2.331143
  N      -4.927028      2.484905      3.178135
  H      -4.744424      3.307709      2.589220
  H      -5.959855      2.435575      3.292493
  H      -4.690722      1.708630      2.541265
102
Coordinates from ORCA-job orca E -6430.704490506918
  N      -2.811791      0.453313      4.657706
  Mo     -3.631158      2.213381      4.986520
  N      -4.916038      2.024827      6.429889
  C      -4.435974      1.971694      7.819049
  C      -3.042305      1.361499      7.833634
  N      -2.228358      1.960841      6.740361
  C      -1.133129      1.057067      6.302231
  C      -1.696385     -0.063833      5.438636
  C      -1.669012      3.286126      7.108133
  C      -1.543906      4.081867      5.811575
  N      -2.845149      4.060785      5.151111
  H      -0.888357     -0.463402      4.798833
  H      -2.038879     -0.909368      6.070337
  H      -0.428248      1.663788      5.719682
  H      -0.587520      0.650157      7.174006
  H      -1.212020      5.114045      6.024649
  H      -0.781354      3.628872      5.158306
  H      -2.382641      3.788546      7.775641
  H      -0.713560      3.169939      7.651333
  H      -5.103214      1.349201      8.444403
  H      -4.431669      2.978759      8.281268
  H      -3.127223      0.287055      7.618922
  H      -2.541872      1.481190      8.811499
  C      -3.795139     -0.572948      4.305629
  C      -3.354957     -1.479360      3.146723
  C      -3.230231     -0.756444      1.822851
  O      -4.570902     -0.347017      1.423884
  C      -4.691160      0.112611      0.134982
  C      -5.493491     -0.578114     -0.763852
  C      -5.644009     -0.081891     -2.069070
  N      -5.059433      1.024998     -2.530117
  C      -4.275991      1.719475     -1.654766
  C      -3.649205      2.918185     -2.076070
  C      -2.891928      3.642737     -1.170603
  C      -2.760849      3.168989      0.146719
  N      -3.307757      2.035546      0.588016
  C      -4.056498      1.315261     -0.292379
  C      -3.683786      5.198245      5.563040
  C      -4.829831      5.502638      4.600108
  C      -4.302813      5.930021      3.229169
  O      -5.048458      5.351156      2.138859
  C      -6.290294      5.812902      1.870779
  C      -6.864770      6.950818      2.417888
  C      -8.149194      7.340109      1.984789
  N      -8.880146      6.702567      1.083104
  C      -8.338008      5.561783      0.558179
  C      -9.073677      4.818983     -0.396703
  C      -8.539420      3.651916     -0.900108
  C      -7.274567      3.223191     -0.440991
  N      -6.539758      3.891059      0.436311
  C      -7.052365      5.052524      0.926228
  C      -6.368069      1.982002      6.308519
  C      -7.087198      3.240695      6.838870
  C      -8.370794      3.504963      6.076935
  O      -8.007346      3.927822      4.738889
  C      -8.981816      3.709029      3.793428
  C     -10.045499      4.585153      3.633407
  C     -11.002259      4.322712      2.639434
  N     -10.969617      3.271077      1.821923
  C      -9.924078      2.406020      1.961665
  C      -9.829782      1.281288      1.106318
  C      -8.762867      0.405846      1.251178
  C      -7.787345      0.670384      2.222798
  N      -7.822981      1.722699      3.049587
  C      -8.879621      2.578650      2.934632
  H      -4.013704     -1.200924      5.192576
  H      -4.747502     -0.084728      4.030591
  H      -2.379441     -1.931656      3.387661
  H      -4.077603     -2.305053      3.042683
  H      -2.827105     -1.426234      1.045901
  H      -2.591054      0.135048      1.902678
  H      -5.997921     -1.492680     -0.449267
  H      -6.276532     -0.625090     -2.778477
  H      -3.796234      3.245747     -3.106220
  H      -2.403726      4.572602     -1.466757
  H      -2.192542      3.743263      0.885198
  H      -3.037051      6.094222      5.635785
  H      -4.107825      5.044455      6.575912
  H      -5.470632      6.278828      5.043385
  H      -5.469586      4.616579      4.483707
  H      -3.292446      5.524704      3.086922
  H      -4.258957      7.025087      3.117379
  H      -6.347233      7.553187      3.162546
  H      -8.593167      8.244812      2.414242
  H     -10.057977      5.184938     -0.690666
  H      -9.084324      3.044727     -1.623728
  H      -6.852687      2.284031     -0.808654
  H      -6.770275      1.092116      6.835117
  H      -6.619200      1.870674      5.244577
  H      -6.425908      4.113866      6.720747
  H      -7.317969      3.154423      7.912396
  H      -8.976097      4.294531      6.555098
  H      -8.987048      2.591458      6.010069
  H     -10.123065      5.474769      4.259587
  H     -11.834691      5.018887      2.498608
  H     -10.601440      1.140770      0.348164
  H      -8.657151     -0.466891      0.605121
  H      -6.921613      0.009055      2.322496
  N      -4.922348      2.483075      3.178162
  H      -4.763400      3.333158      2.621807
  H      -5.955538      2.400781      3.282681
  H      -4.656699      1.740471      2.513444
102
Coordinates from ORCA-job orca E -6430.705290539991
  N      -2.829565      0.445289      4.662057
  Mo     -3.643575      2.209385      4.998062
  N      -4.921361      2.032153      6.449734
  C      -4.435168      1.989994      7.837017
  C      -3.043364      1.375461      7.851025
  N      -2.233590      1.959188      6.746486
  C      -1.149229      1.044003      6.305293
  C      -1.729982     -0.080106      5.459847
  C      -1.663858      3.284419      7.098073
  C      -1.538227      4.067091      5.793393
  N      -2.842618      4.054730      5.139187
  H      -0.926130     -0.510424      4.834630
  H      -2.094621     -0.905914      6.105881
  H      -0.448597      1.640207      5.706894
  H      -0.595172      0.642447      7.174274
  H      -1.192803      5.097272      5.995155
  H      -0.784404      3.598816      5.140829
  H      -2.372630      3.797450      7.762770
  H      -0.707568      3.167239      7.639804
  H      -5.101415      1.375265      8.471128
  H      -4.425306      3.000979      8.290568
  H      -3.132636      0.298624      7.651039
  H      -2.537308      1.506076      8.824608
  C      -3.809634     -0.577761      4.291460
  C      -3.352705     -1.482672      3.137657
  C      -3.221777     -0.760917      1.814000
  O      -4.563376     -0.365392      1.403405
  C      -4.680290      0.101331      0.117814
  C      -5.474213     -0.589188     -0.788299
  C      -5.625013     -0.085494     -2.090897
  N      -5.048620      1.029084     -2.542473
  C      -4.273514      1.723813     -1.659975
  C      -3.655727      2.930488     -2.071866
  C      -2.904624      3.653477     -1.160627
  C      -2.772533      3.171756      0.154019
  N      -3.314221      2.033085      0.587335
  C      -4.054406      1.312183     -0.299995
  C      -3.669362      5.199393      5.552292
  C      -4.819413      5.509509      4.596275
  C      -4.299378      5.928834      3.220145
  O      -5.051122      5.344208      2.136473
  C      -6.293126      5.808213      1.872116
  C      -6.865948      6.943225      2.426803
  C      -8.152025      7.334634      2.000659
  N      -8.886637      6.701126      1.099187
  C      -8.345522      5.563954      0.565437
  C      -9.084128      4.827399     -0.391813
  C      -8.549809      3.665771     -0.907464
  C      -7.282011      3.235950     -0.457843
  N      -6.544754      3.897667      0.422244
  C      -7.057503      5.053698      0.924553
  C      -6.374152      1.994934      6.335668
  C      -7.084220      3.266101      6.847071
  C      -8.367110      3.523786      6.081932
  O      -7.999705      3.918647      4.736349
  C      -8.975669      3.695657      3.794101
  C     -10.047965      4.562683      3.641748
  C     -11.004808      4.297049      2.648584
  N     -10.965031      3.250337      1.825590
  C      -9.912391      2.392837      1.959266
  C      -9.813552      1.271143      1.100586
  C      -8.741069      0.401966      1.240381
  C      -7.765146      0.669335      2.210994
  N      -7.805070      1.718819      3.040839
  C      -8.866834      2.569537      2.930449
  H      -4.042960     -1.208234      5.173058
  H      -4.756456     -0.087308      4.002229
  H      -2.376276     -1.927685      3.388139
  H      -4.067934     -2.314151      3.028060
  H      -2.806583     -1.428271      1.041271
  H      -2.591371      0.136295      1.897885
  H      -5.971885     -1.510136     -0.481705
  H      -6.250636     -0.629501     -2.805750
  H      -3.803767      3.264146     -3.099899
  H      -2.421768      4.588495     -1.449143
  H      -2.204770      3.743787      0.894723
  H      -3.015659      6.091046      5.618186
  H      -4.088839      5.053717      6.568510
  H      -5.450163      6.292487      5.042247
  H      -5.468053      4.628742      4.487826
  H      -3.289991      5.522138      3.074589
  H      -4.256635      7.023071      3.100872
  H      -6.346123      7.541358      3.173308
  H      -8.593967      8.237026      2.436940
  H     -10.070106      5.194200     -0.679061
  H      -9.096376      3.064418     -1.634676
  H      -6.859449      2.301716     -0.836933
  H      -6.779031      1.115877      6.878119
  H      -6.629434      1.867889      5.274630
  H      -6.418708      4.133704      6.712643
  H      -7.312567      3.200017      7.922553
  H      -8.969098      4.324526      6.545289
  H      -8.987481      2.611919      6.031272
  H     -10.133152      5.447626      4.273510
  H     -11.843533      4.986893      2.513889
  H     -10.587506      1.126712      0.345545
  H      -8.631954     -0.469113      0.592665
  H      -6.896513      0.011634      2.308165
  N      -4.932972      2.479981      3.188879
  H      -4.807370      3.358887      2.669275
  H      -5.963956      2.359871      3.287861
  H      -4.639073      1.778005      2.492472
102
Coordinates from ORCA-job orca E -6430.706027966113
  N      -2.846306      0.438708      4.664484
  Mo     -3.650928      2.208985      5.007534
  N      -4.925069      2.042955      6.463737
  C      -4.434657      2.010367      7.849987
  C      -3.045487      1.389586      7.865572
  N      -2.237132      1.957530      6.751989
  C      -1.164583      1.029978      6.308247
  C      -1.762619     -0.095100      5.478166
  C      -1.655521      3.281211      7.089959
  C      -1.528327      4.053772      5.779195
  N      -2.835147      4.051833      5.129575
  H      -0.963334     -0.553367      4.866767
  H      -2.147552     -0.903062      6.135565
  H      -0.467072      1.615540      5.695738
  H      -0.603514      0.631685      7.174283
  H      -1.169585      5.081177      5.972589
  H      -0.782725      3.572164      5.126850
  H      -2.358642      3.804043      7.753109
  H      -0.698316      3.161053      7.629637
  H      -5.101648      1.404341      8.491681
  H      -4.418186      3.025241      8.294665
  H      -3.140057      0.310776      7.679513
  H      -2.535784      1.529736      8.835965
  C      -3.823322     -0.581029      4.276246
  C      -3.350655     -1.486621      3.128854
  C      -3.215521     -0.767784      1.804211
  O      -4.558450     -0.386273      1.384025
  C      -4.673983      0.091392      0.103552
  C      -5.466007     -0.591876     -0.809458
  C      -5.618179     -0.076049     -2.107497
  N      -5.044203      1.043641     -2.548457
  C      -4.270454      1.731471     -1.659335
  C      -3.654763      2.943087     -2.060183
  C      -2.903920      3.658084     -1.142835
  C      -2.771871      3.164923      0.167842
  N      -3.313971      2.023036      0.590873
  C      -4.051328      1.307804     -0.303432
  C      -3.649865      5.203744      5.544321
  C      -4.805866      5.520639      4.597130
  C      -4.295280      5.931302      3.214634
  O      -5.055413      5.341867      2.138545
  C      -6.297689      5.808682      1.877857
  C      -6.867981      6.942554      2.437369
  C      -8.155224      7.336269      2.016758
  N      -8.893311      6.705656      1.116039
  C      -8.353962      5.570544      0.576058
  C      -9.096006      4.838189     -0.381670
  C      -8.562922      3.679467     -0.905340
  C      -7.292666      3.248975     -0.463653
  N      -6.552328      3.906391      0.417256
  C      -7.064313      5.058871      0.928447
  C      -6.378373      2.011406      6.354883
  C      -7.079170      3.295912      6.844657
  C      -8.362205      3.546395      6.077599
  O      -7.993258      3.902619      4.721689
  C      -8.973481      3.672544      3.786421
  C     -10.054044      4.530758      3.641355
  C     -11.013366      4.259508      2.652107
  N     -10.968457      3.215583      1.826175
  C      -9.909003      2.365438      1.954101
  C      -9.806834      1.245689      1.093386
  C      -8.729294      0.382199      1.228395
  C      -7.752292      0.652997      2.197176
  N      -7.794695      1.701332      3.028170
  C      -8.860817      2.547796      2.921588
  H      -4.072347     -1.213000      5.152672
  H      -4.763510     -0.087764      3.971660
  H      -2.373445     -1.924606      3.388361
  H      -4.059010     -2.323558      3.015524
  H      -2.789411     -1.433204      1.035663
  H      -2.593897      0.135156      1.890543
  H      -5.961242     -1.517136     -0.511887
  H      -6.242355     -0.615011     -2.827474
  H      -3.803896      3.286105     -3.085000
  H      -2.421939      4.596224     -1.422476
  H      -2.202326      3.730474      0.912235
  H      -2.989475      6.091262      5.602244
  H      -4.063180      5.066080      6.564439
  H      -5.425294      6.310624      5.046735
  H      -5.463981      4.645358      4.498219
  H      -3.287721      5.521819      3.064088
  H      -4.252103      7.024588      3.087637
  H      -6.345814      7.537877      3.184489
  H      -8.594735      8.237661      2.457593
  H     -10.083359      5.205737     -0.663267
  H      -9.112160      3.081484     -1.633370
  H      -6.870706      2.317472     -0.850494
  H      -6.786696      1.144297      6.913639
  H      -6.636564      1.867368      5.296613
  H      -6.409026      4.156801      6.691408
  H      -7.304448      3.252373      7.921956
  H      -8.956220      4.363447      6.522209
  H      -8.990344      2.638773      6.050962
  H     -10.143993      5.413656      4.275337
  H     -11.858076      4.943190      2.522963
  H     -10.583149      1.097497      0.341454
  H      -8.617525     -0.487879      0.579754
  H      -6.880770     -0.001014      2.292263
  N      -4.931890      2.485038      3.194598
  H      -4.839895      3.391609      2.716640
  H      -5.959863      2.327376      3.284159
  H      -4.608068      1.829177      2.466616
102
Coordinates from ORCA-job orca E -6430.706689346144
  N      -2.866673      0.427231      4.667874
  Mo     -3.659173      2.205258      5.015487
  N      -4.930042      2.055016      6.475770
  C      -4.435062      2.033908      7.861009
  C      -3.049302      1.405442      7.878960
  N      -2.242259      1.954980      6.755407
  C      -1.182515      1.013078      6.310977
  C      -1.798025     -0.113250      5.496904
  C      -1.647099      3.276855      7.077104
  C      -1.518529      4.037128      5.759123
  N      -2.827908      4.045786      5.114078
  H      -1.003821     -0.597626      4.898732
  H      -2.200962     -0.903814      6.165018
  H      -0.487525      1.586579      5.684261
  H      -0.615117      0.618486      7.174595
  H      -1.146301      5.061660      5.942876
  H      -0.781560      3.541780      5.107177
  H      -2.343110      3.811259      7.738570
  H      -0.688589      3.153566      7.613908
  H      -5.103376      1.439143      8.511761
  H      -4.410318      3.053607      8.294091
  H      -3.150048      0.324684      7.708286
  H      -2.535631      1.555946      8.845705
  C      -3.839662     -0.589268      4.261157
  C      -3.350615     -1.495118      3.120679
  C      -3.210019     -0.777900      1.795742
  O      -4.553490     -0.410334      1.364218
  C      -4.666764      0.082011      0.090629
  C      -5.454123     -0.593807     -0.831794
  C      -5.605001     -0.065266     -2.125014
  N      -5.032793      1.059565     -2.553737
  C      -4.263770      1.740898     -1.655611
  C      -3.649428      2.957271     -2.043937
  C      -2.903840      3.666225     -1.118168
  C      -2.778441      3.164173      0.189984
  N      -3.320851      2.018400      0.601226
  C      -4.049144      1.305949     -0.302851
  C      -3.629168      5.205029      5.532612
  C      -4.791838      5.530818      4.596189
  C      -4.291833      5.935806      3.208355
  O      -5.058968      5.341333      2.139100
  C      -6.303130      5.807291      1.884203
  C      -6.873868      6.936460      2.452286
  C      -8.164690      7.328300      2.040850
  N      -8.905975      6.699476      1.141577
  C      -8.365477      5.569588      0.591944
  C      -9.110620      4.840487     -0.365734
  C      -8.575695      3.688056     -0.901218
  C      -7.300375      3.260847     -0.471440
  N      -6.557171      3.915013      0.409581
  C      -7.071376      5.060941      0.933167
  C      -6.383839      2.033590      6.372257
  C      -7.070613      3.333924      6.839345
  C      -8.353999      3.581459      6.072108
  O      -7.984740      3.890981      4.704865
  C      -8.970487      3.652364      3.778630
  C     -10.062238      4.498339      3.643943
  C     -11.024648      4.219786      2.659855
  N     -10.972754      3.180092      1.829339
  C      -9.903609      2.340815      1.948619
  C      -9.795969      1.224485      1.084285
  C      -8.710669      0.369917      1.211645
  C      -7.732406      0.645388      2.178059
  N      -7.779320      1.691048      3.011832
  C      -8.852086      2.530463      2.911179
  H      -4.105843     -1.222731      5.131593
  H      -4.771988     -0.092873      3.939853
  H      -2.373254     -1.926869      3.389532
  H      -4.052432     -2.336981      3.002729
  H      -2.771810     -1.440476      1.031479
  H      -2.597706      0.130774      1.886043
  H      -5.945945     -1.524407     -0.545447
  H      -6.225368     -0.599342     -2.851861
  H      -3.795403      3.308144     -3.066533
  H      -2.422465      4.607325     -1.388590
  H      -2.213588      3.725655      0.940938
  H      -2.961373      6.087731      5.582335
  H      -4.034765      5.074864      6.557000
  H      -5.399751      6.326439      5.051578
  H      -5.458969      4.661358      4.505494
  H      -3.285354      5.525571      3.052713
  H      -4.250247      7.028344      3.075238
  H      -6.350230      7.529195      3.200422
  H      -8.604459      8.225842      2.489107
  H     -10.101304      5.205682     -0.638559
  H      -9.126972      3.093118     -1.630147
  H      -6.876719      2.334534     -0.868977
  H      -6.797917      1.180564      6.947963
  H      -6.645699      1.872665      5.317353
  H      -6.392508      4.184524      6.665721
  H      -7.291878      3.314985      7.918150
  H      -8.933462      4.419728      6.495612
  H      -8.995601      2.682909      6.074386
  H     -10.158547      5.377943      4.281494
  H     -11.877831      4.894396      2.538827
  H     -10.575395      1.071029      0.336666
  H      -8.594571     -0.497850      0.560753
  H      -6.856492     -0.002980      2.269953
  N      -4.932100      2.484113      3.198324
  H      -4.875909      3.413868      2.760536
  H      -5.955187      2.287819      3.277180
  H      -4.577869      1.875432      2.442887
102
Coordinates from ORCA-job orca E -6430.707279071121
  N      -2.890624      0.417763      4.672415
  Mo     -3.666230      2.205362      5.024905
  N      -4.933027      2.071831      6.489775
  C      -4.432509      2.061497      7.873625
  C      -3.051158      1.422943      7.892522
  N      -2.245827      1.952987      6.758428
  C      -1.200765      0.995314      6.312883
  C      -1.835714     -0.130328      5.514095
  C      -1.634625      3.271466      7.064645
  C      -1.505225      4.021344      5.740527
  N      -2.817576      4.042557      5.100676
  H      -1.048120     -0.638898      4.926909
  H      -2.255316     -0.904075      6.191820
  H      -0.507498      1.555897      5.672621
  H      -0.628009      0.602481      7.173737
  H      -1.118891      5.042238      5.916084
  H      -0.777847      3.513334      5.087409
  H      -2.321696      3.817830      7.725748
  H      -0.674293      3.143042      7.597050
  H      -5.102482      1.479180      8.533784
  H      -4.397505      3.085971      8.294528
  H      -3.160163      0.340742      7.736763
  H      -2.532131      1.582324      8.854945
  C      -3.860321     -0.594569      4.248499
  C      -3.356162     -1.501169      3.114339
  C      -3.209692     -0.786511      1.788220
  O      -4.552507     -0.434674      1.341822
  C      -4.661020      0.073042      0.075339
  C      -5.442734     -0.594121     -0.858226
  C      -5.589054     -0.052525     -2.146634
  N      -5.016179      1.076626     -2.561890
  C      -4.253173      1.750476     -1.653081
  C      -3.637269      2.970498     -2.027336
  C      -2.898431      3.672607     -1.091311
  C      -2.783943      3.161828      0.214453
  N      -3.329212      2.012840      0.612294
  C      -4.046862      1.303932     -0.303092
  C      -3.604063      5.209822      5.522728
  C      -4.773161      5.544377      4.596718
  C      -4.284714      5.945470      3.203640
  O      -5.059759      5.347074      2.141760
  C      -6.305590      5.812655      1.893795
  C      -6.875634      6.937523      2.470604
  C      -8.170152      7.327809      2.069213
  N      -8.915406      6.700873      1.171983
  C      -8.374913      5.575855      0.612612
  C      -9.124561      4.849498     -0.343611
  C      -8.589150      3.702395     -0.889954
  C      -7.308540      3.278458     -0.473089
  N      -6.561165      3.929993      0.406313
  C      -7.076461      5.069912      0.941840
  C      -6.387116      2.059289      6.391155
  C      -7.060520      3.376700      6.828349
  C      -8.344421      3.617390      6.059511
  O      -7.976268      3.863619      4.679084
  C      -8.969728      3.616707      3.764412
  C     -10.071439      4.451916      3.641678
  C     -11.039126      4.167103      2.664879
  N     -10.983567      3.131347      1.830034
  C      -9.906251      2.301290      1.939104
  C      -9.797250      1.187829      1.071364
  C      -8.706409      0.339576      1.189742
  C      -7.724706      0.617927      2.151965
  N      -7.771714      1.661774      2.987801
  C      -8.849169      2.496754      2.894604
  H      -4.143152     -1.229614      5.112657
  H      -4.784283     -0.094233      3.911484
  H      -2.378660     -1.926820      3.391815
  H      -4.051881     -2.347578      2.992641
  H      -2.757701     -1.446534      1.029724
  H      -2.607344      0.128252      1.882513
  H      -5.932583     -1.529492     -0.584313
  H      -6.205294     -0.580369     -2.881526
  H      -3.776735      3.329100     -3.048148
  H      -2.415369      4.615654     -1.351553
  H      -2.225795      3.718390      0.973972
  H      -2.928677      6.087416      5.563420
  H      -4.001821      5.087531      6.551334
  H      -5.370162      6.344795      5.058124
  H      -5.447993      4.679915      4.512930
  H      -3.279365      5.534918      3.041228
  H      -4.245435      7.037499      3.065972
  H      -6.349571      7.527690      3.219086
  H      -8.609777      8.221845      2.524511
  H     -10.118621      5.212537     -0.606877
  H      -9.143707      3.109650     -1.618158
  H      -6.883997      2.356822     -0.880728
  H      -6.806843      1.222890      6.986667
  H      -6.651741      1.877681      5.340451
  H      -6.374242      4.214804      6.628961
  H      -7.277555      3.388360      7.908069
  H      -8.904376      4.482745      6.453408
  H      -9.003230      2.732350      6.100760
  H     -10.170949      5.329149      4.281932
  H     -11.899923      4.833623      2.553127
  H     -10.581168      1.030908      0.329179
  H      -8.589295     -0.526368      0.536670
  H      -6.845740     -0.026709      2.239594
  N      -4.931182      2.489470      3.205321
  H      -4.905532      3.436859      2.804409
  H      -5.949235      2.262931      3.275310
  H      -4.551687      1.923554      2.427891
102
Coordinates from ORCA-job orca E -6430.707805743111
  N      -2.912099      0.404885      4.674689
  Mo     -3.672678      2.201296      5.029450
  N      -4.937608      2.086564      6.497123
  C      -4.433705      2.087213      7.880287
  C      -3.057046      1.438916      7.902152
  N      -2.252275      1.949991      6.758807
  C      -1.219938      0.977056      6.315446
  C      -1.870721     -0.148473      5.530188
  C      -1.626334      3.265339      7.049562
  C      -1.494010      4.003214      5.718870
  N      -2.808031      4.036142      5.081572
  H      -1.088196     -0.678477      4.954854
  H      -2.306491     -0.905917      6.216270
  H      -0.526469      1.525215      5.664659
  H      -0.644750      0.586519      7.175729
  H      -1.095149      5.020873      5.886236
  H      -0.774419      3.483114      5.066501
  H      -2.305633      3.824197      7.708317
  H      -0.665295      3.132312      7.579672
  H      -5.106484      1.518072      8.548983
  H      -4.388847      3.116465      8.288390
  H      -3.173445      0.355566      7.760177
  H      -2.533610      1.606624      8.860762
  C      -3.877140     -0.605044      4.235771
  C      -3.359333     -1.512658      3.107897
  C      -3.208764     -0.801106      1.780561
  O      -4.551324     -0.465845      1.321094
  C      -4.656557      0.061374      0.063886
  C      -5.434790     -0.593610     -0.881494
  C      -5.579033     -0.034769     -2.162655
  N      -5.005366      1.099418     -2.562216
  C      -4.245999      1.761933     -1.641999
  C      -3.627378      2.985395     -1.999853
  C      -2.893243      3.677442     -1.052988
  C      -2.788693      3.154702      0.248861
  N      -3.336836      2.001790      0.631181
  C      -4.045978      1.299878     -0.296313
  C      -3.580795      5.210692      5.508300
  C      -4.756274      5.555993      4.594026
  C      -4.280503      5.955764      3.196339
  O      -5.062520      5.352977      2.141619
  C      -6.311730      5.813773      1.902963
  C      -6.885460      6.930642      2.491406
  C      -8.185904      7.314187      2.102267
  N      -8.933329      6.687973      1.206418
  C      -8.388384      5.571319      0.634625
  C      -9.140115      4.845952     -0.320769
  C      -8.599975      3.707577     -0.880325
  C      -7.311819      3.291712     -0.478421
  N      -6.562813      3.942413      0.400138
  C      -7.083477      5.073038      0.949749
  C      -6.391969      2.088766      6.401151
  C      -7.046605      3.424148      6.812829
  C      -8.331917      3.666642      6.046730
  O      -7.968674      3.849549      4.655427
  C      -8.970525      3.593737      3.754333
  C     -10.087448      4.411094      3.647313
  C     -11.059575      4.115580      2.678252
  N     -10.994928      3.086056      1.836366
  C      -9.903872      2.272442      1.932088
  C      -9.785945      1.164462      1.058460
  C      -8.683246      0.330525      1.165347
  C      -7.699837      0.616250      2.124109
  N      -7.754415      1.655836      2.964263
  C      -8.841929      2.478741      2.879746
  H      -4.174412     -1.240655      5.094781
  H      -4.794009     -0.102198      3.884863
  H      -2.381122     -1.931868      3.392411
  H      -4.048877     -2.363881      2.984136
  H      -2.743453     -1.458403      1.027667
  H      -2.616880      0.120074      1.877925
  H      -5.922768     -1.534110     -0.622102
  H      -6.193365     -0.553450     -2.905700
  H      -3.761176      3.354355     -3.017759
  H      -2.407639      4.622237     -1.301927
  H      -2.237728      3.704438      1.018433
  H      -2.897793      6.082921      5.541178
  H      -3.970124      5.094621      6.541028
  H      -5.342245      6.360160      5.063163
  H      -5.438706      4.697062      4.515792
  H      -3.275532      5.547257      3.026956
  H      -4.245910      7.047532      3.055670
  H      -6.358671      7.518963      3.240803
  H      -8.628771      8.201875      2.566829
  H     -10.139281      5.202888     -0.572937
  H      -9.156025      3.115769     -1.608179
  H      -6.882699      2.377522     -0.898190
  H      -6.820570      1.269414      7.013642
  H      -6.659398      1.890473      5.354050
  H      -6.348775      4.246379      6.589872
  H      -7.257266      3.463611      7.893109
  H      -8.866023      4.559723      6.413352
  H      -9.011979      2.800578      6.126031
  H     -10.194581      5.284418      4.291610
  H     -11.932096      4.768667      2.578286
  H     -10.573496      1.000040      0.321714
  H      -8.559216     -0.531264      0.508053
  H      -6.813838     -0.019271      2.206254
  N      -4.928986      2.486838      3.204861
  H      -4.936839      3.447588      2.837423
  H      -5.939166      2.223436      3.259532
  H      -4.518294      1.964452      2.411564
102
Coordinates from ORCA-job orca E -6430.708273216786
  N      -2.938793      0.396511      4.679822
  Mo     -3.679454      2.202950      5.036872
  N      -4.940051      2.108145      6.509989
  C      -4.431231      2.119384      7.891554
  C      -3.060642      1.458218      7.914029
  N      -2.257501      1.948229      6.759985
  C      -1.240681      0.957504      6.318996
  C      -1.911201     -0.165342      5.547308
  C      -1.613109      3.258256      7.035453
  C      -1.477877      3.984925      5.698637
  N      -2.793933      4.032551      5.065286
  H      -1.136553     -0.718106      4.982617
  H      -2.364744     -0.904441      6.241916
  H      -0.544720      1.490976      5.658697
  H      -0.665353      0.566890      7.179137
  H      -1.064433      4.998195      5.858176
  H      -0.768064      3.451982      5.045819
  H      -2.282278      3.831243      7.692492
  H      -0.651272      3.117777      7.562200
  H      -5.106788      1.564508      8.569279
  H      -4.374353      3.153023      8.286901
  H      -3.187795      0.374412      7.785552
  H      -2.530041      1.632273      8.867480
  C      -3.902238     -0.607691      4.226315
  C      -3.373297     -1.518539      3.105504
  C      -3.213265     -0.811967      1.776571
  O      -4.552570     -0.491440      1.298099
  C      -4.648951      0.052905      0.048354
  C      -5.417792     -0.593987     -0.910591
  C      -5.554242     -0.022588     -2.186791
  N      -4.980105      1.116423     -2.571089
  C      -4.230583      1.771968     -1.638000
  C      -3.611195      2.999463     -1.980222
  C      -2.888516      3.686559     -1.021271
  C      -2.798706      3.156255      0.278320
  N      -3.348309      1.999170      0.646176
  C      -4.042391      1.299048     -0.294262
  C      -3.550104      5.216531      5.494132
  C      -4.729716      5.571736      4.589106
  C      -4.266142      5.969704      3.186572
  O      -5.057388      5.363957      2.140475
  C      -6.310172      5.820724      1.915348
  C      -6.885073      6.929325      2.518095
  C      -8.192597      7.306376      2.146416
  N      -8.945675      6.681445      1.254588
  C      -8.398935      5.573671      0.667589
  C      -9.156209      4.850519     -0.285154
  C      -8.613520      3.721851     -0.861290
  C      -7.316989      3.313312     -0.478938
  N      -6.563281      3.962086      0.396871
  C      -7.086747      5.082875      0.963312
  C      -6.394502      2.120341      6.416384
  C      -7.034065      3.473458      6.792492
  C      -8.320199      3.710407      6.025415
  O      -7.962725      3.813684      4.624601
  C      -8.974374      3.551568      3.738477
  C     -10.103824      4.354017      3.649022
  C     -11.082249      4.051186      2.688811
  N     -11.013585      3.028051      1.839766
  C      -9.911984      2.227348      1.920321
  C      -9.791466      1.123987      1.041120
  C      -8.679978      0.300805      1.134113
  C      -7.691480      0.591085      2.086605
  N      -7.748227      1.626469      2.931154
  C      -8.842877      2.441004      2.858089
  H      -4.215786     -1.242703      5.080056
  H      -4.810340     -0.099187      3.861776
  H      -2.395981     -1.933943      3.398384
  H      -4.059417     -2.372230      2.979639
  H      -2.733509     -1.468808      1.032297
  H      -2.629955      0.114048      1.877480
  H      -5.903082     -1.539669     -0.665447
  H      -6.161571     -0.535498     -2.939525
  H      -3.735458      3.375216     -2.996837
  H      -2.401707      4.633498     -1.259249
  H      -2.259520      3.702364      1.058659
  H      -2.858083      6.082084      5.518282
  H      -3.932538      5.108904      6.530528
  H      -5.305336      6.379928      5.064215
  H      -5.418705      4.717830      4.515395
  H      -3.262096      5.562568      3.008732
  H      -4.235861      7.061295      3.043815
  H      -6.354519      7.515099      3.266792
  H      -8.637031      8.187178      2.622420
  H     -10.160954      5.201878     -0.522594
  H      -9.173259      3.132228     -1.588044
  H      -6.884812      2.407465     -0.913407
  H      -6.830030      1.321073      7.050025
  H      -6.663540      1.898737      5.374532
  H      -6.326312      4.278460      6.541028
  H      -7.239138      3.547381      7.871932
  H      -8.826424      4.633933      6.353875
  H      -9.021844      2.867605      6.150467
  H     -10.215474      5.223198      4.297984
  H     -11.964540      4.692987      2.602371
  H     -10.585014      0.954287      0.312044
  H      -8.553859     -0.557245      0.472404
  H      -6.799971     -0.037523      2.160411
  N      -4.930222      2.491885      3.210498
  H      -4.960835      3.460379      2.866642
  H      -5.934333      2.205357      3.254200
  H      -4.497199      1.998413      2.408795
102
Coordinates from ORCA-job orca E -6430.708723275568
  N      -2.967165      0.383281      4.686521
  Mo     -3.688998      2.199175      5.043535
  N      -4.943948      2.126637      6.523467
  C      -4.429007      2.150386      7.902702
  C      -3.064927      1.476105      7.925685
  N      -2.264505      1.944009      6.760155
  C      -1.262900      0.935331      6.323327
  C      -1.951707     -0.185155      5.564953
  C      -1.602026      3.248894      7.018387
  C      -1.466282      3.963461      5.674784
  N      -2.784524      4.024025      5.046037
  H      -1.184991     -0.758909      5.010389
  H      -2.421581     -0.905938      6.268004
  H      -0.563286      1.453763      5.654896
  H      -0.688945      0.545217      7.184655
  H      -1.039615      4.972810      5.825582
  H      -0.765890      3.418272      5.021716
  H      -2.259872      3.836268      7.674260
  H      -0.638714      3.101361      7.540535
  H      -5.106932      1.611448      8.590763
  H      -4.359097      3.188732      8.283595
  H      -3.202969      0.392042      7.811537
  H      -2.526101      1.656986      8.873196
  C      -3.926066     -0.616815      4.216857
  C      -3.384211     -1.525889      3.100501
  C      -3.215177     -0.818961      1.772909
  O      -4.551300     -0.512103      1.277757
  C      -4.640908      0.054763      0.038073
  C      -5.406864     -0.577229     -0.933556
  C      -5.540674      0.013030     -2.201091
  N      -4.964763      1.156986     -2.567443
  C      -4.217687      1.798121     -1.622510
  C      -3.594856      3.028708     -1.946814
  C      -2.875663      3.703625     -0.976800
  C      -2.794300      3.158630      0.316942
  N      -3.346684      1.997447      0.667825
  C      -4.035250      1.307237     -0.284124
  C      -3.525048      5.217494      5.474676
  C      -4.708515      5.581769      4.578222
  C      -4.256627      5.976286      3.170616
  O      -5.055769      5.366364      2.133032
  C      -6.311658      5.819211      1.920599
  C      -6.886324      6.922580      2.533343
  C      -8.200149      7.293458      2.177668
  N      -8.959154      6.668552      1.291011
  C      -8.411881      5.567274      0.692326
  C      -9.174647      4.845004     -0.256743
  C      -8.631113      3.723408     -0.845407
  C      -7.327837      3.320652     -0.479497
  N      -6.569781      3.968388      0.393245
  C      -7.094073      5.082303      0.971930
  C      -6.398584      2.153807      6.433282
  C      -7.016002      3.527442      6.770890
  C      -8.301355      3.766838      6.002644
  O      -7.952339      3.778271      4.596254
  C      -8.974731      3.512031      3.726908
  C     -10.117804      4.297278      3.657178
  C     -11.102697      3.985838      2.706386
  N     -11.029492      2.970191      1.848992
  C      -9.916009      2.184642      1.912358
  C      -9.790735      1.087362      1.025950
  C      -8.668193      0.278275      1.102750
  C      -7.674535      0.574478      2.048643
  N      -7.735939      1.604213      2.898934
  C      -8.839559      2.407272      2.839045
  H      -4.253845     -1.253715      5.064009
  H      -4.826961     -0.104349      3.840970
  H      -2.407355     -1.937465      3.400371
  H      -4.065810     -2.382406      2.969213
  H      -2.720688     -1.472109      1.034891
  H      -2.641250      0.112059      1.880590
  H      -5.891691     -1.527179     -0.704367
  H      -6.146823     -0.488365     -2.962540
  H      -3.714260      3.416704     -2.959429
  H      -2.386278      4.652335     -1.202021
  H      -2.262211      3.695689      1.108344
  H      -2.824147      6.076301      5.489271
  H      -3.900703      5.119540      6.514772
  H      -5.273707      6.394465      5.058279
  H      -5.404833      4.733124      4.509121
  H      -3.253194      5.570965      2.986030
  H      -4.231164      7.067609      3.024538
  H      -6.350989      7.508179      3.278812
  H      -8.644706      8.169608      2.662166
  H     -10.183840      5.191806     -0.481834
  H      -9.194834      3.134862     -1.569978
  H      -6.893817      2.421075     -0.925237
  H      -6.843261      1.378615      7.089951
  H      -6.671468      1.907231      5.398059
  H      -6.293503      4.309563      6.491817
  H      -7.215010      3.637901      7.848301
  H      -8.769875      4.724347      6.286397
  H      -9.030894      2.957603      6.176972
  H     -10.234795      5.162287      4.310550
  H     -11.995352      4.615102      2.634872
  H     -10.590098      0.911300      0.304715
  H      -8.538076     -0.574498      0.434993
  H      -6.775685     -0.044597      2.112128
  N      -4.937509      2.485655      3.215816
  H      -4.984057      3.456931      2.882929
  H      -5.936738      2.182169      3.250215
  H      -4.486998      2.006860      2.413247
102
Coordinates from ORCA-job orca E -6430.709180212614
  N      -2.993531      0.373314      4.694518
  Mo     -3.698996      2.196737      5.052996
  N      -4.949604      2.144890      6.539524
  C      -4.429762      2.179570      7.916323
  C      -3.072632      1.491642      7.940182
  N      -2.273971      1.939233      6.764903
  C      -1.286517      0.913702      6.333449
  C      -1.991408     -0.202720      5.584354
  C      -1.593830      3.238112      7.008655
  C      -1.455570      3.941360      5.659062
  N      -2.774506      4.015728      5.033035
  H      -1.232236     -0.796089      5.040300
  H      -2.478888     -0.905425      6.293877
  H      -0.580325      1.417942      5.660990
  H      -0.717678      0.522397      7.197623
  H      -1.015783      4.946371      5.802482
  H      -0.763820      3.384010      5.006889
  H      -2.240695      3.839644      7.662709
  H      -0.630143      3.082360      7.527648
  H      -5.110707      1.655949      8.613086
  H      -4.346929      3.221641      8.284675
  H      -3.222221      0.407952      7.837884
  H      -2.525760      1.676848      8.882126
  C      -3.946273     -0.623569      4.207993
  C      -3.389806     -1.529046      3.095801
  C      -3.209845     -0.820938      1.770204
  O      -4.541867     -0.530298      1.255090
  C      -4.624648      0.052643      0.022301
  C      -5.383688     -0.572987     -0.959250
  C      -5.517312      0.029055     -2.220830
  N      -4.947400      1.180311     -2.573367
  C      -4.207506      1.815528     -1.619046
  C      -3.591835      3.053210     -1.929435
  C      -2.881535      3.724817     -0.950810
  C      -2.802317      3.168923      0.338134
  N      -3.347023      2.000279      0.675825
  C      -4.026165      1.312597     -0.284549
  C      -3.499390      5.219280      5.458459
  C      -4.683081      5.593737      4.566857
  C      -4.239695      5.982812      3.154767
  O      -5.047655      5.370294      2.125831
  C      -6.307504      5.818168      1.930064
  C      -6.882277      6.914268      2.556150
  C      -8.204095      7.276413      2.221634
  N      -8.970735      6.651106      1.342038
  C      -8.422433      5.558857      0.727865
  C      -9.191245      4.838189     -0.217506
  C      -8.645624      3.727175     -0.823686
  C      -7.334238      3.332058     -0.478297
  N      -6.571611      3.977913      0.391725
  C      -7.097444      5.082304      0.986359
  C      -6.404501      2.187305      6.451221
  C      -6.998106      3.581628      6.745164
  C      -8.280847      3.827371      5.973438
  O      -7.944553      3.735079      4.567394
  C      -8.978318      3.471597      3.715018
  C     -10.133060      4.241316      3.666545
  C     -11.123944      3.925291      2.723236
  N     -11.048783      2.918819      1.855725
  C      -9.925733      2.145885      1.901206
  C      -9.798204      1.054596      1.007347
  C      -8.666458      0.257796      1.067415
  C      -7.666604      0.557842      2.006276
  N      -7.731614      1.580901      2.863249
  C      -8.842170      2.374186      2.817030
  H      -4.286479     -1.263265      5.048281
  H      -4.841523     -0.108906      3.822578
  H      -2.413476     -1.935927      3.403771
  H      -4.065668     -2.389002      2.957590
  H      -2.698123     -1.469822      1.040123
  H      -2.646996      0.115796      1.885251
  H      -5.862992     -1.528451     -0.741812
  H      -6.118508     -0.467840     -2.989070
  H      -3.710261      3.449486     -2.938921
  H      -2.397868      4.678753     -1.165862
  H      -2.280180      3.702532      1.138438
  H      -2.788739      6.070328      5.465713
  H      -3.871768      5.131702      6.500974
  H      -5.237637      6.412292      5.049442
  H      -5.388024      4.751991      4.500540
  H      -3.237692      5.577170      2.964388
  H      -4.216777      7.073744      3.005291
  H      -6.340905      7.499804      3.297189
  H      -8.648907      8.145804      2.717923
  H     -10.205955      5.178598     -0.427009
  H      -9.213231      3.141137     -1.547165
  H      -6.897068      2.441718     -0.939195
  H      -6.858772      1.439301      7.132258
  H      -6.681147      1.912633      5.424259
  H      -6.258714      4.337277      6.440178
  H      -7.191795      3.731040      7.818785
  H      -8.702967      4.819930      6.203863
  H      -9.042868      3.062650      6.200238
  H     -10.255228      5.100394      4.326403
  H     -12.025195      4.543842      2.667895
  H     -10.603896      0.873382      0.294473
  H      -8.534398     -0.589568      0.393225
  H      -6.761333     -0.052906      2.058332
  N      -4.943392      2.481955      3.222038
  H      -5.002511      3.453840      2.893978
  H      -5.937400      2.160808      3.241791
  H      -4.474316      2.011543      2.425323
102
Coordinates from ORCA-job orca E -6430.709598184999
  N      -3.023507      0.365586      4.699683
  Mo     -3.711168      2.197118      5.058988
  N      -4.954688      2.165459      6.554383
  C      -4.426494      2.209245      7.927185
  C      -3.076414      1.507374      7.949063
  N      -2.281012      1.935683      6.764039
  C      -1.308768      0.894364      6.335596
  C      -2.030857     -0.217176      5.596415
  C      -1.583178      3.228006      6.993159
  C      -1.445703      3.920842      5.637832
  N      -2.766179      4.008555      5.017605
  H      -1.281016     -0.828474      5.059441
  H      -2.531050     -0.903657      6.313279
  H      -0.597362      1.384552      5.658071
  H      -0.743269      0.501293      7.201202
  H      -0.992440      4.921201      5.773178
  H      -0.764046      3.351042      4.985597
  H      -2.217025      3.842618      7.647909
  H      -0.617756      3.063440      7.506195
  H      -5.108552      1.699802      8.633303
  H      -4.330027      3.254079      8.284975
  H      -3.238255      0.424434      7.857819
  H      -2.520458      1.695561      8.885043
  C      -3.971359     -0.629902      4.201411
  C      -3.402954     -1.533150      3.093468
  C      -3.210424     -0.822737      1.770851
  O      -4.537608     -0.540685      1.238741
  C      -4.612260      0.058030      0.013170
  C      -5.368573     -0.555622     -0.978079
  C      -5.498815      0.060712     -2.233024
  N      -4.927866      1.216092     -2.570157
  C      -4.190411      1.839293     -1.606213
  C      -3.574128      3.080602     -1.900577
  C      -2.866858      3.741345     -0.912594
  C      -2.790905      3.170229      0.369998
  N      -3.335321      1.997561      0.692290
  C      -4.012273      1.320875     -0.277028
  C      -3.473796      5.223031      5.438005
  C      -4.657568      5.606619      4.550863
  C      -4.223126      5.986755      3.133532
  O      -5.040902      5.370835      2.114169
  C      -6.304962      5.813455      1.934508
  C      -6.879255      6.904007      2.571188
  C      -8.208073      7.257812      2.255995
  N      -8.981610      6.631480      1.383161
  C      -8.432736      5.547072      0.755535
  C      -9.206517      4.828199     -0.187103
  C      -8.659484      3.726167     -0.808334
  C      -7.342090      3.336986     -0.479505
  N      -6.575350      3.981032      0.388322
  C      -7.101804      5.077740      0.996206
  C      -6.410334      2.218374      6.472086
  C      -6.986159      3.628193      6.725114
  C      -8.266137      3.877722      5.948895
  O      -7.945290      3.691237      4.549265
  C      -8.987427      3.430516      3.711089
  C     -10.155297      4.181210      3.684973
  C     -11.150545      3.860141      2.747373
  N     -11.070419      2.865434      1.867494
  C      -9.935962      2.108179      1.893814
  C      -9.802872      1.025387      0.990177
  C      -8.660140      0.243894      1.032315
  C      -7.654984      0.549168      1.964519
  N      -7.726532      1.563775      2.830108
  C      -8.846629      2.343456      2.799664
  H      -4.320193     -1.271276      5.037093
  H      -4.863084     -0.115016      3.808993
  H      -2.428671     -1.938583      3.409815
  H      -4.075410     -2.394468      2.947210
  H      -2.685485     -1.468051      1.046952
  H      -2.654543      0.117057      1.893595
  H      -5.848530     -1.513485     -0.772933
  H      -6.097608     -0.427246     -3.008831
  H      -3.690135      3.488437     -2.905738
  H      -2.383289      4.698029     -1.115150
  H      -2.272612      3.694239      1.179196
  H      -2.753160      6.065910      5.436679
  H      -3.842985      5.147655      6.482970
  H      -5.201124      6.431953      5.034457
  H      -5.371071      4.772044      4.489701
  H      -3.223471      5.578310      2.937640
  H      -4.200176      7.076933      2.978169
  H      -6.331949      7.491211      3.306508
  H      -8.652323      8.121708      2.762360
  H     -10.225639      5.163159     -0.383644
  H      -9.230307      3.142841     -1.531471
  H      -6.902857      2.453941     -0.952412
  H      -6.868342      1.495805      7.177437
  H      -6.693606      1.914709      5.455354
  H      -6.234076      4.361999      6.400102
  H      -7.176347      3.811684      7.794126
  H      -8.645154      4.897980      6.126374
  H      -9.056377      3.158157      6.222323
  H     -10.286074      5.031836      4.353835
  H     -12.061381      4.465914      2.709182
  H     -10.614150      0.837656      0.285319
  H      -8.524029     -0.596753      0.350499
  H      -6.742140     -0.051103      2.004600
  N      -4.954066      2.481568      3.226001
  H      -5.015374      3.452189      2.894748
  H      -5.946572      2.154571      3.236650
  H      -4.478072      2.008656      2.436022
102
Coordinates from ORCA-job orca E -6430.709978912540
  N      -3.050355      0.361121      4.705518
  Mo     -3.722479      2.199672      5.065966
  N      -4.959047      2.188595      6.570191
  C      -4.422058      2.241223      7.938586
  C      -3.079101      1.525506      7.958916
  N      -2.286416      1.934141      6.764916
  C      -1.329473      0.877490      6.340119
  C      -2.068515     -0.228447      5.610243
  C      -1.571062      3.219723      6.978055
  C      -1.432914      3.898787      5.615424
  N      -2.754278      4.000414      5.000390
  H      -1.328459     -0.858273      5.081190
  H      -2.580509     -0.899122      6.334215
  H      -0.612481      1.353100      5.657932
  H      -0.767577      0.482455      7.207223
  H      -0.964373      4.893660      5.739959
  H      -0.762406      3.313078      4.965609
  H      -2.191687      3.848459      7.632147
  H      -0.604479      3.046652      7.486196
  H      -5.104434      1.745160      8.653977
  H      -4.312543      3.288108      8.287244
  H      -3.253710      0.443636      7.878687
  H      -2.514695      1.716177      8.889316
  C      -3.994087     -0.633494      4.196166
  C      -3.414185     -1.536424      3.093934
  C      -3.205329     -0.824924      1.774314
  O      -4.526454     -0.548888      1.222917
  C      -4.590922      0.057791      0.000928
  C      -5.336910     -0.552189     -1.000098
  C      -5.461341      0.072571     -2.251640
  N      -4.895812      1.234478     -2.575121
  C      -4.169252      1.854302     -1.600924
  C      -3.561855      3.103688     -1.879798
  C      -2.866687      3.761154     -0.881397
  C      -2.792456      3.177618      0.396111
  N      -3.328722      1.997927      0.703893
  C      -3.995199      1.325567     -0.275315
  C      -3.442338      5.226264      5.416471
  C      -4.627464      5.617992      4.535652
  C      -4.203838      5.988459      3.112594
  O      -5.033039      5.369999      2.103369
  C      -6.301204      5.808105      1.941578
  C      -6.872864      6.893183      2.590160
  C      -8.208564      7.239522      2.296550
  N      -8.990915      6.612530      1.431988
  C      -8.443220      5.536184      0.789291
  C      -9.223667      4.820405     -0.149982
  C      -8.676777      3.727961     -0.788437
  C      -7.353177      3.344445     -0.478981
  N      -6.580427      3.985349      0.385976
  C      -7.106199      5.073603      1.009417
  C      -6.415591      2.247220      6.494339
  C      -6.982189      3.667259      6.707933
  C      -8.259951      3.913652      5.925791
  O      -7.954121      3.646826      4.536836
  C      -9.001739      3.393830      3.708280
  C     -10.179780      4.128451      3.702960
  C     -11.177623      3.807861      2.766844
  N     -11.093916      2.826681      1.873208
  C      -9.951070      2.081109      1.882632
  C      -9.814050      1.007712      0.968345
  C      -8.663477      0.237843      0.994361
  C      -7.653768      0.544596      1.921775
  N      -7.730325      1.550035      2.796896
  C      -8.857657      2.318678      2.781359
  H      -4.351119     -1.275355      5.028087
  H      -4.882778     -0.119106      3.796741
  H      -2.443899     -1.942619      3.421365
  H      -4.084501     -2.397877      2.938670
  H      -2.667811     -1.467957      1.057677
  H      -2.655155      0.116956      1.904453
  H      -5.813468     -1.513850     -0.805088
  H      -6.050907     -0.413255     -3.035737
  H      -3.675506      3.520177     -2.881677
  H      -2.391214      4.724559     -1.070630
  H      -2.282540      3.697642      1.213288
  H      -2.711581      6.060550      5.405235
  H      -3.806749      5.164155      6.464308
  H      -5.159581      6.449881      5.020743
  H      -5.348721      4.789879      4.482530
  H      -3.207475      5.575562      2.909192
  H      -4.179189      7.077680      2.950465
  H      -6.318084      7.481972      3.318516
  H      -8.650261      8.097979      2.814244
  H     -10.247341      5.150006     -0.331351
  H      -9.252349      3.148386     -1.510814
  H      -6.913447      2.468706     -0.964930
  H      -6.872718      1.547978      7.223139
  H      -6.705147      1.913512      5.489068
  H      -6.222803      4.386183      6.367994
  H      -7.172050      3.880522      7.771588
  H      -8.605427      4.953114      6.053074
  H      -9.071058      3.233977      6.237788
  H     -10.319073      4.968378      4.383265
  H     -12.095125      4.404372      2.744489
  H     -10.629582      0.816801      0.269237
  H      -8.524609     -0.595517      0.304199
  H      -6.734963     -0.047096      1.950065
  N      -4.963736      2.482121      3.229228
  H      -5.025831      3.450899      2.892606
  H      -5.954974      2.149151      3.230301
  H      -4.483374      2.006926      2.444851
102
Coordinates from ORCA-job orca E -6430.710323738185
  N      -3.081770      0.354428      4.711539
  Mo     -3.734840      2.201815      5.072440
  N      -4.962019      2.212631      6.585607
  C      -4.412992      2.275507      7.948539
  C      -3.077540      1.545163      7.966475
  N      -2.289239      1.932296      6.762543
  C      -1.349960      0.859606      6.339643
  C      -2.107885     -0.240510      5.621278
  C      -1.555593      3.210606      6.957390
  C      -1.421188      3.876957      5.587748
  N      -2.745534      3.991739      4.982046
  H      -1.378552     -0.887443      5.097647
  H      -2.627112     -0.897519      6.353024
  H      -0.630266      1.319879      5.649692
  H      -0.788251      0.462745      7.206061
  H      -0.937510      4.866078      5.700530
  H      -0.763860      3.276382      4.937869
  H      -2.160557      3.852438      7.613494
  H      -0.585879      3.029040      7.456685
  H      -5.094051      1.794887      8.675765
  H      -4.288593      3.324824      8.285149
  H      -3.265047      0.464485      7.899611
  H      -2.504390      1.739766      8.890762
  C      -4.020901     -0.639404      4.191320
  C      -3.430917     -1.541637      3.093624
  C      -3.206194     -0.826736      1.778398
  O      -4.521030     -0.551739      1.210713
  C      -4.575805      0.065565     -0.005502
  C      -5.317566     -0.533161     -1.016156
  C      -5.435217      0.104782     -2.262038
  N      -4.867479      1.269360     -2.570634
  C      -4.145045      1.878512     -1.586790
  C      -3.536177      3.130944     -1.849291
  C      -2.844692      3.776717     -0.841129
  C      -2.774945      3.178394      0.430129
  N      -3.313611      1.996354      0.722414
  C      -3.976992      1.335414     -0.266583
  C      -3.414088      5.228088      5.395689
  C      -4.604766      5.625109      4.524768
  C      -4.194272      5.988764      3.096387
  O      -5.032181      5.367845      2.095090
  C      -6.303289      5.802258      1.945899
  C      -6.873101      6.882707      2.603684
  C      -8.213558      7.223391      2.325366
  N      -9.001658      6.595805      1.466424
  C      -8.454525      5.526312      0.811737
  C      -9.239209      4.813873     -0.126342
  C      -8.691578      3.730077     -0.779305
  C      -7.363409      3.351637     -0.484494
  N      -6.586604      3.989205      0.379416
  C      -7.112826      5.069419      1.016546
  C      -6.418749      2.279769      6.519177
  C      -6.973309      3.710467      6.689052
  C      -8.249644      3.949114      5.900921
  O      -7.961837      3.598738      4.527692
  C      -9.015092      3.350111      3.709265
  C     -10.202675      4.068938      3.723635
  C     -11.203074      3.748712      2.789082
  N     -11.115405      2.780967      1.882134
  C      -9.964371      2.047296      1.875409
  C      -9.823090      0.984187      0.949939
  C      -8.665257      0.225426      0.960640
  C      -7.652132      0.532944      1.884567
  N      -7.733082      1.529179      2.769265
  C      -8.867605      2.286674      2.768172
  H      -4.386054     -1.282514      5.018818
  H      -4.905625     -0.124641      3.784554
  H      -2.465575     -1.951619      3.430643
  H      -4.100984     -2.401401      2.928095
  H      -2.658764     -1.466504      1.066338
  H      -2.660011      0.115956      1.917918
  H      -5.796646     -1.495882     -0.832827
  H      -6.020708     -0.372705     -3.054283
  H      -3.645954      3.558774     -2.846847
  H      -2.369444      4.742866     -1.016280
  H      -2.267440      3.689140      1.254712
  H      -2.675300      6.055233      5.371319
  H      -3.769692      5.179200      6.447534
  H      -5.127381      6.461148      5.013077
  H      -5.330206      4.799768      4.481904
  H      -3.200530      5.573206      2.885125
  H      -4.169521      7.077159      2.928408
  H      -6.313538      7.472731      3.327391
  H      -8.653912      8.077192      2.851848
  H     -10.266223      5.139058     -0.296499
  H      -9.270154      3.154267     -1.502287
  H      -6.922676      2.482418     -0.981553
  H      -6.874396      1.607579      7.273733
  H      -6.717552      1.914620      5.527938
  H      -6.206891      4.412549      6.330398
  H      -7.161978      3.957296      7.745749
  H      -8.563111      5.004027      5.972260
  H      -9.079082      3.312724      6.253548
  H     -10.350056      4.897719      4.415609
  H     -12.127208      4.335434      2.782133
  H     -10.641885      0.791167      0.255211
  H      -8.523398     -0.600551      0.262218
  H      -6.728398     -0.051273      1.903255
  N      -4.975742      2.480670      3.233974
  H      -5.035191      3.448290      2.893537
  H      -5.967473      2.149187      3.233225
  H      -4.497074      2.003167      2.449651
102
Coordinates from ORCA-job orca E -6430.710604296081
  N      -3.106585      0.349895      4.719806
  Mo     -3.745215      2.203558      5.081889
  N      -4.963953      2.234008      6.603030
  C      -4.404123      2.306651      7.960872
  C      -3.075122      1.564491      7.976816
  N      -2.291098      1.932353      6.764403
  C      -1.367201      0.845563      6.344817
  C      -2.140475     -0.249498      5.634979
  C      -1.541884      3.204370      6.941661
  C      -1.408850      3.854902      5.564087
  N      -2.735083      3.981218      4.964666
  H      -1.419396     -0.910031      5.116508
  H      -2.665706     -0.896004      6.372200
  H      -0.643994      1.292051      5.649357
  H      -0.806981      0.447034      7.211401
  H      -0.910308      4.838219      5.662531
  H      -0.764309      3.237611      4.917136
  H      -2.133551      3.859229      7.596990
  H      -0.570205      3.016314      7.434807
  H      -5.082887      1.838896      8.698698
  H      -4.268091      3.357987      8.286823
  H      -3.273521      0.485044      7.921441
  H      -2.494670      1.762393      8.895878
  C      -4.041736     -0.642927      4.190187
  C      -3.443992     -1.542461      3.094270
  C      -3.205506     -0.822819      1.784094
  O      -4.514850     -0.547953      1.202582
  C      -4.560498      0.075068     -0.010359
  C      -5.292827     -0.519161     -1.030247
  C      -5.403038      0.127017     -2.272871
  N      -4.838065      1.295614     -2.569302
  C      -4.125277      1.901028     -1.576198
  C      -3.521123      3.158656     -1.824832
  C      -2.839547      3.799436     -0.807248
  C      -2.774305      3.190849      0.459762
  N      -3.309503      2.004543      0.739001
  C      -3.963519      1.348674     -0.259507
  C      -3.384212      5.230678      5.369293
  C      -4.578029      5.632377      4.504498
  C      -4.177226      5.985506      3.071348
  O      -5.025442      5.362686      2.079523
  C      -6.298119      5.796731      1.943064
  C      -6.862064      6.875475      2.608702
  C      -8.206522      7.213414      2.346613
  N      -9.003178      6.585100      1.496184
  C      -8.460952      5.518876      0.832086
  C      -9.253909      4.808190     -0.100214
  C      -8.710238      3.728733     -0.764023
  C      -7.378244      3.352690     -0.484861
  N      -6.593687      3.988361      0.373497
  C      -7.115800      5.064673      1.020597
  C      -6.421323      2.301230      6.546352
  C      -6.975544      3.736044      6.681204
  C      -8.250168      3.961100      5.884439
  O      -7.973578      3.548747      4.527222
  C      -9.028619      3.310399      3.711248
  C     -10.220981      4.020639      3.740050
  C     -11.222526      3.706546      2.803659
  N     -11.133399      2.751795      1.884070
  C      -9.978305      2.024088      1.864931
  C      -9.835211      0.971817      0.927603
  C      -8.673744      0.219051      0.925417
  C      -7.658358      0.521988      1.848649
  N      -7.741444      1.508126      2.743960
  C      -8.879797      2.258961      2.755493
  H      -4.412078     -1.288400      5.013489
  H      -4.924079     -0.127738      3.779079
  H      -2.483182     -1.956926      3.438589
  H      -4.114361     -2.399980      2.918604
  H      -2.649972     -1.458677      1.074935
  H      -2.663058      0.120531      1.933002
  H      -5.770786     -1.484185     -0.856562
  H      -5.980474     -0.347449     -3.072833
  H      -3.626790      3.594075     -2.819548
  H      -2.369095      4.770064     -0.970070
  H      -2.274107      3.697878      1.291066
  H      -2.636248      6.049131      5.330185
  H      -3.732423      5.198861      6.424425
  H      -5.091769      6.474161      4.992362
  H      -5.307132      4.810053      4.473071
  H      -3.187307      5.563944      2.854162
  H      -4.149212      7.072588      2.895617
  H      -6.295386      7.466522      3.325931
  H      -8.642467      8.065410      2.879668
  H     -10.283501      5.131239     -0.258317
  H      -9.294928      3.155310     -1.483913
  H      -6.940240      2.486992     -0.990475
  H      -6.870772      1.649459      7.322129
  H      -6.727669      1.909282      5.568119
  H      -6.206986      4.429422      6.311754
  H      -7.168510      4.006725      7.731297
  H      -8.544756      5.023689      5.908867
  H      -9.091057      3.356780      6.265506
  H     -10.373858      4.838333      4.443611
  H     -12.149594      4.288686      2.808389
  H     -10.655896      0.781582      0.234300
  H      -8.530653     -0.598933      0.217922
  H      -6.731988     -0.058194      1.858829
  N      -4.986857      2.475204      3.241568
  H      -5.047558      3.441890      2.898664
  H      -5.976349      2.139233      3.238153
  H      -4.506649      1.999230      2.457066
102
Coordinates from ORCA-job orca E -6430.713940692488
  N      -3.127876      0.345865      4.725040
  Mo     -3.753570      2.205661      5.087580
  N      -4.961660      2.252104      6.617740
  C      -4.389167      2.335110      7.969933
  C      -3.065331      1.583692      7.982030
  N      -2.288270      1.934445      6.760226
  C      -1.378469      0.835553      6.342268
  C      -2.165950     -0.255740      5.643021
  C      -1.526048      3.201051      6.919852
  C      -1.398999      3.838917      5.535860
  N      -2.728826      3.974210      4.946072
  H      -1.452373     -0.927390      5.127925
  H      -2.694437     -0.892841      6.386427
  H      -0.654344      1.269744      5.639839
  H      -0.817297      0.436324      7.207956
  H      -0.888794      4.817562      5.621105
  H      -0.767137      3.208881      4.888698
  H      -2.105233      3.866232      7.575955
  H      -0.551165      3.008042      7.404962
  H      -5.063748      1.879267      8.719097
  H      -4.243017      3.388732      8.284118
  H      -3.272175      0.505211      7.937894
  H      -2.476820      1.785545      8.895224
  C      -4.059415     -0.647562      4.190583
  C      -3.454884     -1.547006      3.097809
  C      -3.205820     -0.826470      1.790317
  O      -4.510434     -0.554909      1.195884
  C      -4.547488      0.075439     -0.012688
  C      -5.271822     -0.510799     -1.042677
  C      -5.374750      0.146923     -2.280282
  N      -4.811366      1.319521     -2.562311
  C      -4.106822      1.917776     -1.558796
  C      -3.506194      3.180486     -1.790270
  C      -2.833708      3.812819     -0.761613
  C      -2.773276      3.190554      0.499208
  N      -3.306253      1.999992      0.762267
  C      -3.951642      1.352593     -0.247246
  C      -3.361175      5.232320      5.350193
  C      -4.562395      5.637501      4.496909
  C      -4.174217      5.984001      3.058832
  O      -5.031180      5.359745      2.075148
  C      -6.302807      5.797349      1.943263
  C      -6.860989      6.878510      2.610074
  C      -8.205821      7.219359      2.352916
  N      -9.007540      6.591725      1.506671
  C      -8.469998      5.524996      0.839423
  C      -9.267016      4.818271     -0.092487
  C      -8.726367      3.741063     -0.762668
  C      -7.393563      3.363193     -0.489970
  N      -6.605549      3.994542      0.368488
  C      -7.124773      5.068401      1.022058
  C      -6.419623      2.316773      6.574115
  C      -6.975166      3.754642      6.674721
  C      -8.249203      3.962324      5.870973
  O      -7.981984      3.494422      4.530957
  C      -9.037437      3.270761      3.713745
  C     -10.230273      3.979896      3.750823
  C     -11.231572      3.675831      2.810072
  N     -11.142944      2.731476      1.880191
  C      -9.987565      2.003880      1.853851
  C      -9.844587      0.960649      0.906521
  C      -8.683419      0.207837      0.897050
  C      -7.667975      0.501599      1.823649
  N      -7.751099      1.478963      2.728066
  C      -8.889144      2.229537      2.746138
  H      -4.432909     -1.293960      5.011727
  H      -4.940267     -0.133499      3.775143
  H      -2.497191     -1.963582      3.448396
  H      -4.125171     -2.403508      2.916284
  H      -2.642129     -1.459525      1.085181
  H      -2.668185      0.118561      1.945818
  H      -5.749621     -1.478019     -0.880894
  H      -5.945668     -0.321780     -3.088442
  H      -3.607726      3.626331     -2.780863
  H      -2.366977      4.787692     -0.909496
  H      -2.279845      3.690656      1.338712
  H      -2.606769      6.044189      5.296065
  H      -3.696691      5.211623      6.409822
  H      -5.068064      6.482545      4.987445
  H      -5.293075      4.816232      4.477410
  H      -3.187335      5.559092      2.834245
  H      -4.144856      7.070330      2.878194
  H      -6.290007      7.469354      3.324055
  H      -8.637956      8.072770      2.886976
  H     -10.296738      5.143136     -0.246375
  H      -9.314162      3.171293     -1.483005
  H      -6.957503      2.499627     -1.001117
  H      -6.860412      1.685725      7.371578
  H      -6.735544      1.898363      5.610435
  H      -6.205133      4.439642      6.292682
  H      -7.171979      4.048297      7.717898
  H      -8.530790      5.028547      5.851760
  H      -9.097216      3.385125      6.277576
  H     -10.386016      4.788034      4.464486
  H     -12.158807      4.257785      2.822017
  H     -10.665324      0.777156      0.211365
  H      -8.540574     -0.603545      0.181854
  H      -6.742121     -0.079365      1.829612
  N      -5.000598      2.466866      3.248750
  H      -5.069255      3.434061      2.908780
  H      -5.985925      2.121488      3.245220
  H      -4.516860      1.998804      2.461354
102
Coordinates from ORCA-job orca E -6430.714113577604
  N      -3.148063      0.343222      4.730348
  Mo     -3.760780      2.209448      5.090659
  N      -4.957825      2.269602      6.629953
  C      -4.372224      2.362193      7.976243
  C      -3.052953      1.602565      7.984051
  N      -2.283155      1.937865      6.753469
  C      -1.386409      0.828429      6.336689
  C      -2.186696     -0.259398      5.647791
  C      -1.508743      3.198881      6.896934
  C      -1.389810      3.826802      5.507940
  N      -2.724156      3.970012      4.930684
  H      -1.480187     -0.939427      5.133402
  H      -2.715180     -0.889464      6.397502
  H      -0.661967      1.251572      5.627672
  H      -0.823934      0.428371      7.201241
  H      -0.869532      4.801193      5.581255
  H      -0.770723      3.186254      4.858757
  H      -2.074865      3.872796      7.555555
  H      -0.530011      3.000475      7.372306
  H      -5.041849      1.917083      8.736410
  H      -4.216893      3.417814      8.279455
  H      -3.267407      0.525081      7.950275
  H      -2.456755      1.807953      8.891631
  C      -4.077028     -0.652051      4.195359
  C      -3.467678     -1.552691      3.105685
  C      -3.208737     -0.832471      1.800089
  O      -4.508516     -0.564186      1.192913
  C      -4.536538      0.070958     -0.012648
  C      -5.251600     -0.509341     -1.052252
  C      -5.346070      0.157662     -2.286025
  N      -4.784350      1.333843     -2.555154
  C      -4.088871      1.926660     -1.541887
  C      -3.491715      3.193973     -1.757737
  C      -2.828744      3.819133     -0.718721
  C      -2.773302      3.184845      0.536572
  N      -3.304187      1.990638      0.784884
  C      -3.941104      1.350808     -0.234629
  C      -3.341022      5.235505      5.335409
  C      -4.549570      5.643264      4.493350
  C      -4.173334      5.984244      3.050946
  O      -5.038688      5.360168      2.074296
  C      -6.308800      5.802230      1.946082
  C      -6.861139      6.885614      2.614414
  C      -8.205588      7.230980      2.360407
  N      -9.011510      6.605895      1.516133
  C      -8.478651      5.539008      0.845205
  C      -9.278316      4.839241     -0.089781
  C      -8.740253      3.765269     -0.767569
  C      -7.408051      3.382885     -0.498317
  N      -6.617783      4.007337      0.363220
  C      -7.134225      5.078277      1.023937
  C      -6.416444      2.329198      6.600962
  C      -6.976548      3.768074      6.668929
  C      -8.250154      3.957233      5.858322
  O      -7.992423      3.438328      4.536340
  C      -9.047179      3.230231      3.716416
  C     -10.241015      3.937250      3.761990
  C     -11.241403      3.643695      2.816069
  N     -11.152348      2.710614      1.875316
  C      -9.996146      1.984022      1.841527
  C      -9.852627      0.950004      0.884248
  C      -8.691018      0.198337      0.867119
  C      -7.675542      0.483728      1.796772
  N      -7.759704      1.451658      2.710770
  C      -8.898134      2.200735      2.735763
  H      -4.451129     -1.298362      5.016316
  H      -4.957718     -0.140156      3.777017
  H      -2.513007     -1.971673      3.461829
  H      -4.138718     -2.407800      2.919738
  H      -2.637408     -1.463515      1.099382
  H      -2.675531      0.114165      1.961049
  H      -5.729414     -1.478334     -0.900996
  H      -5.909641     -0.306655     -3.102042
  H      -3.588656      3.648824     -2.744790
  H      -2.365820      4.797935     -0.852617
  H      -2.286693      3.678873      1.383670
  H      -2.581358      6.041571      5.267232
  H      -3.664042      5.224259      6.399142
  H      -5.048664      6.490670      4.986421
  H      -5.280287      4.821978      4.484927
  H      -3.189703      5.555653      2.818854
  H      -4.141859      7.070028      2.866671
  H      -6.286306      7.475011      3.326566
  H      -8.634051      8.085560      2.895791
  H     -10.307252      5.167816     -0.241673
  H      -9.329666      3.202237     -1.491958
  H      -6.973723      2.521879     -1.015529
  H      -6.846292      1.718127      7.419630
  H      -6.742104      1.884697      5.652903
  H      -6.206246      4.446824      6.276175
  H      -7.178676      4.082281      7.705091
  H      -8.520458      5.024843      5.797249
  H      -9.104226      3.406189      6.288045
  H     -10.400869      4.734216      4.487014
  H     -12.169381      4.224499      2.835602
  H     -10.673709      0.772033      0.187921
  H      -8.547991     -0.606322      0.144269
  H      -6.749739     -0.097301      1.798409
  N      -5.014317      2.459870      3.254415
  H      -5.091646      3.427556      2.917355
  H      -5.994969      2.104243      3.251464
  H      -4.527914      1.999790      2.463884
102
Coordinates from ORCA-job orca E -6430.714185379649
  N      -3.161178      0.339081      4.733787
  Mo     -3.764300      2.210291      5.087692
  N      -4.952443      2.283123      6.633561
  C      -4.357770      2.384266      7.975498
  C      -3.041620      1.619189      7.980990
  N      -2.277808      1.941764      6.743354
  C      -1.389502      0.824551      6.329593
  C      -2.199417     -0.262845      5.651359
  C      -1.496045      3.200007      6.873175
  C      -1.382386      3.817464      5.478990
  N      -2.719885      3.964848      4.909510
  H      -1.498502     -0.949726      5.138409
  H      -2.728097     -0.885700      6.406906
  H      -0.665729      1.238802      5.614686
  H      -0.825511      0.426451      7.193984
  H      -0.855526      4.789011      5.541199
  H      -0.772132      3.168011      4.830307
  H      -2.054780      3.881175      7.530602
  H      -0.515384      3.000019      7.343825
  H      -5.023873      1.947742      8.743583
  H      -4.196583      3.441606      8.269136
  H      -3.261115      0.542481      7.955984
  H      -2.439325      1.828137      8.883656
  C      -4.093257     -0.655739      4.203575
  C      -3.487243     -1.562685      3.117156
  C      -3.216270     -0.845998      1.812250
  O      -4.510973     -0.568016      1.198356
  C      -4.529170      0.077433     -0.001975
  C      -5.239773     -0.491282     -1.051040
  C      -5.327021      0.188429     -2.278347
  N      -4.763438      1.366844     -2.532791
  C      -4.071271      1.948119     -1.510485
  C      -3.473844      3.217989     -1.709763
  C      -2.814288      3.831370     -0.661387
  C      -2.761201      3.182076      0.586031
  N      -3.293478      1.985198      0.819151
  C      -3.928492      1.357467     -0.209319
  C      -3.326483      5.236813      5.309365
  C      -4.538843      5.644325      4.472365
  C      -4.170721      5.978769      3.026075
  O      -5.043509      5.353352      2.056816
  C      -6.313715      5.796596      1.936391
  C      -6.861289      6.878445      2.611162
  C      -8.208107      7.223064      2.368949
  N      -9.021070      6.597938      1.531592
  C      -8.493020      5.532861      0.854130
  C      -9.302076      4.830684     -0.070909
  C      -8.769828      3.757299     -0.753836
  C      -7.432580      3.380220     -0.502621
  N      -6.634102      4.005853      0.350442
  C      -7.146099      5.074206      1.018774
  C      -6.411570      2.335259      6.613765
  C      -6.979513      3.771863      6.668117
  C      -8.255923      3.945735      5.858448
  O      -8.000516      3.409289      4.543264
  C      -9.053253      3.207395      3.719033
  C     -10.244832      3.918544      3.762528
  C     -11.240397      3.636053      2.808166
  N     -11.147624      2.713052      1.858108
  C      -9.993409      1.983333      1.824792
  C      -9.842946      0.965402      0.851564
  C      -8.683860      0.210032      0.833875
  C      -7.676858      0.477098      1.778052
  N      -7.765976      1.432115      2.704957
  C      -8.902040      2.184872      2.730623
  H      -4.468693     -1.297728      5.027209
  H      -4.972458     -0.142878      3.783375
  H      -2.537516     -1.989275      3.477437
  H      -4.164772     -2.412353      2.929724
  H      -2.646052     -1.481325      1.114593
  H      -2.677209      0.096772      1.975874
  H      -5.721111     -1.460287     -0.911705
  H      -5.887847     -0.266643     -3.101379
  H      -3.568342      3.684452     -2.691581
  H      -2.352463      4.812430     -0.781317
  H      -2.276566      3.666030      1.439956
  H      -2.562578      6.037794      5.229635
  H      -3.641533      5.235111      6.375467
  H      -5.033005      6.494905      4.964779
  H      -5.271071      4.824429      4.472719
  H      -3.189501      5.547625      2.788573
  H      -4.138149      7.063878      2.838068
  H      -6.281284      7.466531      3.320121
  H      -8.632999      8.076300      2.909181
  H     -10.334041      5.155555     -0.209305
  H      -9.368064      3.189366     -1.467150
  H      -7.002403      2.520422     -1.025030
  H      -6.832306      1.732380      7.442924
  H      -6.741975      1.877291      5.673725
  H      -6.212942      4.450671      6.267914
  H      -7.182653      4.094575      7.701380
  H      -8.529207      5.011623      5.782794
  H      -9.107162      3.398568      6.298605
  H     -10.406667      4.710772      4.492140
  H     -12.166031      4.220511      2.826385
  H     -10.655671      0.804657      0.141436
  H      -8.535631     -0.582281      0.098613
  H      -6.752409     -0.105973      1.778654
  N      -5.027827      2.449647      3.257024
  H      -5.109721      3.416031      2.918435
  H      -6.006898      2.090890      3.259327
  H      -4.541813      1.989739      2.465589
102
Coordinates from ORCA-job orca E -6430.714215654174
  N      -3.173335      0.333370      4.736440
  Mo     -3.765410      2.209639      5.083008
  N      -4.945914      2.293389      6.634111
  C      -4.343387      2.399807      7.972094
  C      -3.031011      1.628249      7.975466
  N      -2.271516      1.941215      6.733060
  C      -1.390187      0.817554      6.320959
  C      -2.208030     -0.269124      5.650015
  C      -1.482865      3.196396      6.854385
  C      -1.373622      3.807726      5.457144
  N      -2.713991      3.959368      4.895469
  H      -1.511557     -0.958376      5.134407
  H      -2.734864     -0.888679      6.409445
  H      -0.666728      1.225109      5.601854
  H      -0.825546      0.420156      7.185080
  H      -0.841600      4.776718      5.511397
  H      -0.771318      3.151903      4.807318
  H      -2.035614      3.882729      7.511467
  H      -0.500943      2.993604      7.321049
  H      -5.007578      1.971410      8.746031
  H      -4.175635      3.458094      8.257710
  H      -3.256049      0.552595      7.956304
  H      -2.423539      1.838276      8.874271
  C      -4.111098     -0.657773      4.209661
  C      -3.513012     -1.569293      3.122425
  C      -3.229318     -0.852366      1.820232
  O      -4.517281     -0.559253      1.199508
  C      -4.519283      0.097666      0.004355
  C      -5.215207     -0.462161     -1.059592
  C      -5.285266      0.228106     -2.281946
  N      -4.718371      1.408739     -2.518314
  C      -4.040480      1.981566     -1.481384
  C      -3.442246      3.254089     -1.660892
  C      -2.797828      3.859131     -0.597428
  C      -2.760423      3.198534      0.643842
  N      -3.295106      1.998690      0.859161
  C      -3.915692      1.379130     -0.183690
  C      -3.312339      5.238280      5.286111
  C      -4.527583      5.643764      4.451564
  C      -4.165363      5.960159      2.999415
  O      -5.048071      5.331637      2.042077
  C      -6.314544      5.784274      1.920605
  C      -6.854508      6.872669      2.591164
  C      -8.198362      7.226738      2.346198
  N      -9.015607      6.603622      1.511252
  C      -8.494919      5.532195      0.838087
  C      -9.306788      4.834901     -0.088535
  C      -8.779228      3.759697     -0.772153
  C      -7.444956      3.373718     -0.518037
  N      -6.644604      3.994542      0.336603
  C      -7.151408      5.065330      1.004596
  C      -6.405330      2.339141      6.622783
  C      -6.981001      3.774121      6.666851
  C      -8.262037      3.934945      5.861390
  O      -8.010132      3.398428      4.545693
  C      -9.066024      3.197835      3.724013
  C     -10.260694      3.903647      3.776721
  C     -11.262294      3.616049      2.830371
  N     -11.173222      2.691253      1.881379
  C     -10.015607      1.967359      1.838925
  C      -9.870123      0.945069      0.869351
  C      -8.706963      0.195463      0.843167
  C      -7.692007      0.471739      1.776180
  N      -7.777604      1.429208      2.700911
  C      -8.917166      2.176568      2.734548
  H      -4.487732     -1.296994      5.034848
  H      -4.988183     -0.140661      3.790253
  H      -2.568960     -2.007346      3.483928
  H      -4.200009     -2.410604      2.931820
  H      -2.661819     -1.491754      1.123996
  H      -2.681591      0.084386      1.989420
  H      -5.698500     -1.432305     -0.935669
  H      -5.834147     -0.220203     -3.116768
  H      -3.524724      3.729757     -2.639358
  H      -2.337214      4.842629     -0.700763
  H      -2.288320      3.674939      1.508983
  H      -2.544679      6.034269      5.193527
  H      -3.620460      5.247838      6.354168
  H      -5.014912      6.502361      4.936831
  H      -5.263862      4.827294      4.465768
  H      -3.188865      5.519535      2.760013
  H      -4.125852      7.043081      2.800723
  H      -6.270684      7.458623      3.298774
  H      -8.617760      8.085332      2.882300
  H     -10.335867      5.167511     -0.230131
  H      -9.378079      3.198183     -1.489937
  H      -7.017649      2.513681     -1.042465
  H      -6.817454      1.743965      7.461328
  H      -6.740978      1.868528      5.690681
  H      -6.219450      4.454055      6.259202
  H      -7.182598      4.101896      7.698753
  H      -8.545134      4.998142      5.783892
  H      -9.105775      3.381973      6.308748
  H     -10.423041      4.690977      4.511469
  H     -12.191965      4.193786      2.857046
  H     -10.690209      0.775402      0.169817
  H      -8.562182     -0.599471      0.110063
  H      -6.764657     -0.107388      1.770939
  N      -5.036770      2.439694      3.258475
  H      -5.124919      3.405948      2.921589
  H      -6.013067      2.074475      3.264773
  H      -4.547959      1.981815      2.466688
102
Coordinates from ORCA-job orca E -6430.714242129198
  N      -3.183193      0.336868      4.742128
  Mo     -3.766948      2.218420      5.084684
  N      -4.944156      2.307796      6.639245
  C      -4.334748      2.418587      7.973289
  C      -3.025287      1.641106      7.975898
  N      -2.267697      1.947362      6.730853
  C      -1.391970      0.819161      6.319441
  C      -2.214754     -0.265476      5.651992
  C      -1.471773      3.198684      6.847702
  C      -1.367914      3.809333      5.449676
  N      -2.710618      3.967750      4.896749
  H      -1.521622     -0.956065      5.133983
  H      -2.740094     -0.882624      6.414467
  H      -0.666856      1.222096      5.599292
  H      -0.829361      0.420702      7.184097
  H      -0.831262      4.775725      5.500615
  H      -0.772984      3.150058      4.796351
  H      -2.016722      3.888097      7.508017
  H      -0.488241      2.990271      7.308096
  H      -4.997722      1.998167      8.752192
  H      -4.160189      3.477471      8.251674
  H      -3.255268      0.566445      7.960386
  H      -2.414326      1.851243      8.872040
  C      -4.118337     -0.657429      4.217943
  C      -3.521946     -1.574205      3.134417
  C      -3.230672     -0.860449      1.832549
  O      -4.515723     -0.563986      1.208870
  C      -4.516000      0.091509      0.012487
  C      -5.224846     -0.464515     -1.045147
  C      -5.300040      0.224657     -2.267409
  N      -4.726839      1.400639     -2.509949
  C      -4.035542      1.969539     -1.479624
  C      -3.429583      3.236981     -1.666966
  C      -2.767845      3.837881     -0.611102
  C      -2.721378      3.177932      0.629476
  N      -3.265092      1.982868      0.853091
  C      -3.902524      1.366876     -0.182550
  C      -3.299962      5.249626      5.287214
  C      -4.519843      5.655368      4.460150
  C      -4.166499      5.971940      3.006041
  O      -5.051968      5.340997      2.053542
  C      -6.318978      5.792189      1.939415
  C      -6.857287      6.875996      2.618654
  C      -8.202909      7.229076      2.383041
  N      -9.023674      6.609558      1.549200
  C      -8.504409      5.544221      0.865569
  C      -9.318884      4.853768     -0.063827
  C      -8.791757      3.787210     -0.760589
  C      -7.455331      3.401809     -0.516488
  N      -6.653523      4.015222      0.341883
  C      -7.159516      5.078469      1.022018
  C      -6.404246      2.346081      6.633596
  C      -6.984826      3.780864      6.649019
  C      -8.265295      3.931261      5.839710
  O      -8.026694      3.347915      4.542713
  C      -9.080128      3.164064      3.715772
  C     -10.279623      3.861250      3.777355
  C     -11.276191      3.583381      2.822579
  N     -11.180287      2.674656      1.859298
  C     -10.019467      1.956327      1.810070
  C      -9.866749      0.947238      0.827870
  C      -8.701633      0.200858      0.797361
  C      -7.691696      0.467770      1.738638
  N      -7.784202      1.413281      2.674273
  C      -8.925119      2.157539      2.711610
  H      -4.494035     -1.293520      5.045963
  H      -4.996014     -0.143369      3.797003
  H      -2.581677     -2.018435      3.498049
  H      -4.214167     -2.411100      2.943868
  H      -2.662805     -1.503040      1.139470
  H      -2.680822      0.074891      2.002660
  H      -5.715777     -1.429982     -0.915686
  H      -5.858493     -0.220982     -3.097182
  H      -3.519298      3.712437     -2.644765
  H      -2.301740      4.818318     -0.718868
  H      -2.234432      3.649833      1.488834
  H      -2.529843      6.042252      5.185954
  H      -3.599925      5.264266      6.357683
  H      -5.004853      6.513684      4.948087
  H      -5.255419      4.837914      4.478140
  H      -3.189777      5.535288      2.761018
  H      -4.132198      7.055203      2.807825
  H      -6.270150      7.459376      3.325598
  H      -8.621047      8.083875      2.925878
  H     -10.349129      5.185491     -0.198014
  H      -9.392564      3.231576     -1.481127
  H      -7.027318      2.549405     -1.052753
  H      -6.807985      1.769127      7.488145
  H      -6.743506      1.851348      5.715088
  H      -6.221670      4.454249      6.234710
  H      -7.191157      4.124460      7.674747
  H      -8.532135      4.995536      5.727819
  H      -9.115875      3.406283      6.307605
  H     -10.452535      4.632797      4.525939
  H     -12.209394      4.154822      2.856666
  H     -10.683153      0.784503      0.122588
  H      -8.551804     -0.584526      0.055141
  H      -6.764056     -0.110476      1.732157
  N      -5.038256      2.433047      3.260221
  H      -5.135481      3.397625      2.921778
  H      -6.008710      2.054446      3.260347
  H      -4.537385      1.977604      2.474148
102
Coordinates from ORCA-job orca E -6430.714292402750
  N      -3.180333      0.341035      4.731465
  Mo     -3.766734      2.220185      5.078941
  N      -4.943589      2.307512      6.633421
  C      -4.335654      2.414224      7.968509
  C      -3.027465      1.635637      7.969515
  N      -2.269347      1.945663      6.725631
  C      -1.392313      0.819375      6.311720
  C      -2.215453     -0.264724      5.643213
  C      -1.475765      3.198187      6.845729
  C      -1.368214      3.808428      5.447657
  N      -2.709631      3.967888      4.891303
  H      -1.522910     -0.956875      5.126516
  H      -2.743774     -0.881029      6.404307
  H      -0.668518      1.224228      5.591527
  H      -0.828304      0.420341      7.175320
  H      -0.830986      4.774573      5.499208
  H      -0.772534      3.148359      4.796110
  H      -2.025275      3.886602      7.503243
  H      -0.494206      2.991491      7.311136
  H      -4.999977      1.992580      8.745790
  H      -4.160053      3.472075      8.249976
  H      -3.258334      0.561219      7.950230
  H      -2.416486      1.842194      8.866585
  C      -4.122377     -0.648354      4.209264
  C      -3.530934     -1.569705      3.126975
  C      -3.236627     -0.861102      1.822910
  O      -4.520364     -0.556505      1.200458
  C      -4.514195      0.101194      0.005278
  C      -5.219645     -0.448960     -1.057547
  C      -5.287541      0.245553     -2.277288
  N      -4.710622      1.421586     -2.511878
  C      -4.021911      1.983624     -1.476111
  C      -3.412049      3.250341     -1.654427
  C      -2.752221      3.843167     -0.592882
  C      -2.711076      3.175841      0.643973
  N      -3.258717      1.981209      0.859384
  C      -3.895122      1.374189     -0.181707
  C      -3.299771      5.248549      5.285347
  C      -4.520987      5.655950      4.461133
  C      -4.170146      5.973459      3.006411
  O      -5.053551      5.337700      2.054936
  C      -6.321235      5.786344      1.935014
  C      -6.864399      6.872048      2.607227
  C      -8.210205      7.220522      2.366183
  N      -9.027368      6.594262      1.533857
  C      -8.503465      5.526134      0.858109
  C      -9.315187      4.825037     -0.065701
  C      -8.784561      3.753809     -0.752448
  C      -7.446411      3.375919     -0.505688
  N      -6.647116      3.999225      0.347803
  C      -7.157450      5.065633      1.019594
  C      -6.403222      2.346803      6.626100
  C      -6.982212      3.781343      6.649963
  C      -8.266348      3.928864      5.848533
  O      -8.021660      3.365099      4.544036
  C      -9.076775      3.177109      3.719683
  C     -10.269552      3.886015      3.773295
  C     -11.268780      3.606316      2.822064
  N     -11.179575      2.687437      1.867608
  C     -10.024446      1.959706      1.825207
  C      -9.877922      0.943478      0.849691
  C      -8.717920      0.189059      0.825161
  C      -7.706956      0.455272      1.765384
  N      -7.792813      1.407917      2.694603
  C      -8.929106      2.159918      2.726218
  H      -4.500481     -1.281446      5.038553
  H      -4.998263     -0.130517      3.788603
  H      -2.592947     -2.017660      3.492012
  H      -4.227027     -2.403881      2.938932
  H      -2.674808     -1.509677      1.130515
  H      -2.679266      0.070626      1.989514
  H      -5.714078     -1.413362     -0.934017
  H      -5.843805     -0.194883     -3.111267
  H      -3.497137      3.731557     -2.629784
  H      -2.282842      4.822743     -0.693654
  H      -2.224586      3.641248      1.507032
  H      -2.530018      6.041661      5.185095
  H      -3.598043      5.260069      6.356167
  H      -5.003422      6.514587      4.951067
  H      -5.258913      4.840365      4.480580
  H      -3.191908      5.540313      2.761278
  H      -4.139718      7.056539      2.806939
  H      -6.280891      7.460339      3.312885
  H      -8.631345      8.077682      2.902910
  H     -10.346831      5.151486     -0.202036
  H      -9.383911      3.188351     -1.466607
  H      -7.015635      2.520510     -1.034680
  H      -6.809446      1.764734      7.476318
  H      -6.741423      1.857917      5.703725
  H      -6.223080      4.456839      6.231293
  H      -7.181325      4.122588      7.677978
  H      -8.548386      4.990786      5.752044
  H      -9.107960      3.385841      6.312339
  H     -10.434415      4.667678      4.513322
  H     -12.196690      4.186639      2.849116
  H     -10.694203      0.782893      0.143801
  H      -8.572416     -0.601664      0.087793
  H      -6.783231     -0.128821      1.762296
  N      -5.042640      2.440708      3.257439
  H      -5.137218      3.405983      2.920167
  H      -6.015262      2.066445      3.258483
  H      -4.543396      1.986244      2.470446
102
Coordinates from ORCA-job orca E -6430.714305540386
  N      -3.174063      0.343064      4.733835
  Mo     -3.763580      2.220609      5.081916
  N      -4.941856      2.303952      6.635264
  C      -4.336259      2.408243      7.971766
  C      -3.026984      1.631515      7.972116
  N      -2.268296      1.946021      6.729483
  C      -1.387969      0.822585      6.314076
  C      -2.209252     -0.262945      5.645502
  C      -1.478042      3.200404      6.853036
  C      -1.368646      3.812384      5.455775
  N      -2.708942      3.970418      4.896165
  H      -1.516182     -0.954648      5.128883
  H      -2.737923     -0.879067      6.406449
  H      -0.666300      1.230037      5.593313
  H      -0.822103      0.424463      7.177032
  H      -0.833031      4.779447      5.509401
  H      -0.770598      3.153940      4.804800
  H      -2.031799      3.886969      7.508961
  H      -0.497541      2.995896      7.321702
  H      -5.001426      1.984414      8.747220
  H      -4.161954      3.465811      8.255442
  H      -3.256377      0.556822      7.950031
  H      -2.416710      1.836824      8.870088
  C      -4.119495     -0.644026      4.213449
  C      -3.532665     -1.568546      3.131464
  C      -3.243038     -0.863401      1.824133
  O      -4.528721     -0.556340      1.206930
  C      -4.524767      0.098970      0.010088
  C      -5.229588     -0.455695     -1.050887
  C      -5.296326      0.233308     -2.273820
  N      -4.718408      1.408175     -2.512919
  C      -4.030619      1.974605     -1.478969
  C      -3.419406      3.239882     -1.662875
  C      -2.760220      3.837272     -0.603453
  C      -2.722389      3.176689      0.637070
  N      -3.271703      1.983676      0.857921
  C      -3.906252      1.371512     -0.181211
  C      -3.301073      5.250717      5.287607
  C      -4.520960      5.656914      4.460951
  C      -4.169947      5.968972      3.004558
  O      -5.055591      5.332702      2.055246
  C      -6.320408      5.788677      1.930959
  C      -6.858691      6.878555      2.600283
  C      -8.201677      7.235255      2.355562
  N      -9.020773      6.612870      1.522171
  C      -8.502239      5.540038      0.849755
  C      -9.316984      4.841855     -0.073782
  C      -8.792550      3.764856     -0.756229
  C      -7.457537      3.378372     -0.505515
  N      -6.655393      3.999346      0.346980
  C      -7.159439      5.071316      1.014973
  C      -6.401556      2.340427      6.623929
  C      -6.984359      3.772683      6.655507
  C      -8.271532      3.916622      5.858829
  O      -8.020540      3.371421      4.547069
  C      -9.074351      3.175971      3.721719
  C     -10.271489      3.877375      3.777854
  C     -11.269244      3.594936      2.826237
  N     -11.174198      2.679810      1.868548
  C     -10.014470      1.959929      1.822524
  C      -9.862562      0.948466      0.842788
  C      -8.696839      0.203101      0.812524
  C      -7.686254      0.472589      1.752082
  N      -7.777627      1.420144      2.686324
  C      -8.919549      2.164127      2.723738
  H      -4.498486     -1.275435      5.043830
  H      -4.994187     -0.124193      3.792910
  H      -2.593845     -2.016721      3.494191
  H      -4.230594     -2.402367      2.948385
  H      -2.686540     -1.515961      1.131053
  H      -2.681570      0.066764      1.985437
  H      -5.723056     -1.420209     -0.923882
  H      -5.851796     -0.210646     -3.106561
  H      -3.502334      3.716069     -2.640943
  H      -2.288230      4.815127     -0.709438
  H      -2.235724      3.645397      1.498432
  H      -2.531973      6.044548      5.187314
  H      -3.600888      5.263138      6.358016
  H      -5.001356      6.518551      4.947848
  H      -5.261209      4.843949      4.482390
  H      -3.192442      5.533243      2.760384
  H      -4.138231      7.051417      2.801910
  H      -6.273320      7.463788      3.307169
  H      -8.618649      8.095942      2.890053
  H     -10.346200      5.175012     -0.212803
  H      -9.394237      3.201361     -1.470131
  H      -7.032137      2.517751     -1.030390
  H      -6.809520      1.752156      7.469298
  H      -6.735462      1.856615      5.697829
  H      -6.229699      4.452099      6.235071
  H      -7.179251      4.109812      7.685759
  H      -8.566185      4.976333      5.777349
  H      -9.105830      3.357493      6.316743
  H     -10.440262      4.655687      4.520694
  H     -12.200913      4.169265      2.855061
  H     -10.679411      0.784392      0.138266
  H      -8.546705     -0.583152      0.071222
  H      -6.757336     -0.103677      1.743411
  N      -5.038565      2.439699      3.260481
  H      -5.134982      3.405648      2.924528
  H      -6.011579      2.064649      3.260553
  H      -4.535391      1.986802      2.475567
102
Coordinates from ORCA-job orca E -6430.714320804596
  N      -3.183650      0.343420      4.733000
  Mo     -3.766951      2.223581      5.078584
  N      -4.940157      2.312909      6.635681
  C      -4.328969      2.419075      7.969448
  C      -3.022521      1.637358      7.967251
  N      -2.266414      1.946968      6.721868
  C      -1.390691      0.820311      6.306218
  C      -2.216082     -0.263799      5.640534
  C      -1.471564      3.198986      6.840436
  C      -1.365988      3.808758      5.441863
  N      -2.707979      3.970189      4.887802
  H      -1.526017     -0.956106      5.120784
  H      -2.742220     -0.879667      6.403391
  H      -0.669379      1.224573      5.583347
  H      -0.824097      0.421775      7.168489
  H      -0.827052      4.774154      5.491876
  H      -0.772788      3.147288      4.789540
  H      -2.020254      3.888240      7.497785
  H      -0.489830      2.991809      7.305233
  H      -4.992712      2.000413      8.748851
  H      -4.149148      3.476794      8.249172
  H      -3.256126      0.563539      7.947731
  H      -2.408829      1.841990      8.863051
  C      -4.131904     -0.642396      4.215497
  C      -3.548345     -1.569654      3.134330
  C      -3.250144     -0.864905      1.828668
  O      -4.531822     -0.543968      1.210280
  C      -4.519613      0.114592      0.014975
  C      -5.224882     -0.432799     -1.049430
  C      -5.283057      0.259630     -2.270833
  N      -4.696281      1.430994     -2.505209
  C      -4.007719      1.990185     -1.467946
  C      -3.387110      3.251464     -1.647251
  C      -2.726283      3.841391     -0.584701
  C      -2.695949      3.177327      0.654179
  N      -3.254666      1.987852      0.870991
  C      -3.891519      1.383223     -0.171191
  C      -3.294498      5.253058      5.277507
  C      -4.516804      5.656901      4.453819
  C      -4.170597      5.967125      2.996157
  O      -5.057019      5.326657      2.050312
  C      -6.325330      5.774329      1.932787
  C      -6.870313      6.854175      2.612754
  C      -8.217041      7.201754      2.375366
  N      -9.033596      6.579936      1.539164
  C      -8.508287      5.517467      0.855686
  C      -9.319467      4.821906     -0.072887
  C      -8.787866      3.756138     -0.767288
  C      -7.449368      3.377655     -0.522846
  N      -6.650443      3.996625      0.333859
  C      -7.161356      5.058106      1.013173
  C      -6.400024      2.348938      6.629569
  C      -6.982535      3.781313      6.651257
  C      -8.271285      3.921121      5.855915
  O      -8.025518      3.365161      4.547797
  C      -9.080218      3.174714      3.722805
  C     -10.275674      3.878868      3.780432
  C     -11.275136      3.598934      2.829684
  N     -11.184309      2.682925      1.872725
  C     -10.026553      1.959975      1.825457
  C      -9.879778      0.946018      0.847605
  C      -8.716145      0.197752      0.815977
  C      -7.702516      0.466659      1.752454
  N      -7.789360      1.415978      2.685174
  C      -8.929321      2.162661      2.724031
  H      -4.511260     -1.271768      5.047325
  H      -5.006000     -0.121630      3.795250
  H      -2.613912     -2.025196      3.499097
  H      -4.251855     -2.398180      2.948472
  H      -2.698794     -1.521604      1.135392
  H      -2.680118      0.059572      1.992339
  H      -5.725424     -1.394120     -0.926200
  H      -5.838543     -0.178556     -3.106542
  H      -3.464106      3.730664     -2.624297
  H      -2.247212      4.816181     -0.686908
  H      -2.208072      3.640240      1.517982
  H      -2.524424      6.045232      5.171384
  H      -3.590095      5.270237      6.349060
  H      -4.996904      6.518740      4.940684
  H      -5.255853      4.843133      4.478565
  H      -3.192471      5.534136      2.749819
  H      -4.143096      7.049325      2.791692
  H      -6.287614      7.438025      3.322977
  H      -8.639372      8.054101      2.918844
  H     -10.351518      5.148325     -0.206668
  H      -9.386361      3.195426     -1.485954
  H      -7.018160      2.525393     -1.056596
  H      -6.804871      1.767536      7.481175
  H      -6.737506      1.857234      5.709444
  H      -6.228327      4.457452      6.225053
  H      -7.175242      4.125708      7.679526
  H      -8.563746      4.980764      5.766718
  H      -9.105975      3.367709      6.320123
  H     -10.442627      4.657058      4.523656
  H     -12.205280      4.175605      2.859816
  H     -10.699004      0.782142      0.145834
  H      -8.569916     -0.590540      0.076103
  H      -6.775335     -0.112192      1.742879
  N      -5.047884      2.436368      3.260517
  H      -5.143124      3.400570      2.919049
  H      -6.020918      2.062345      3.262611
  H      -4.545374      1.977855      2.478415
102
Coordinates from ORCA-job orca E -6430.714323758635
  N      -3.186119      0.342187      4.729842
  Mo     -3.768653      2.222925      5.075933
  N      -4.939990      2.311176      6.634493
  C      -4.326375      2.416781      7.967336
  C      -3.020614      1.634069      7.963150
  N      -2.265540      1.944987      6.717450
  C      -1.390008      0.819114      6.300067
  C      -2.214871     -0.264900      5.633449
  C      -1.470629      3.196947      6.836689
  C      -1.367509      3.808607      5.438873
  N      -2.710545      3.970494      4.887507
  H      -1.524413     -0.954080      5.110134
  H      -2.737995     -0.883904      6.395816
  H      -0.669517      1.224568      5.576974
  H      -0.822484      0.420146      7.161558
  H      -0.828723      4.774074      5.489309
  H      -0.775102      3.148065      4.784754
  H      -2.018308      3.885251      7.495960
  H      -0.488048      2.989160      7.299434
  H      -4.989338      1.999460      8.748017
  H      -4.144420      3.474392      8.246079
  H      -3.254740      0.560377      7.942522
  H      -2.406031      1.837424      8.858679
  C      -4.133920     -0.644638      4.213552
  C      -3.549138     -1.572570      3.133413
  C      -3.245795     -0.869225      1.828264
  O      -4.524854     -0.542609      1.208028
  C      -4.507788      0.119422      0.014422
  C      -5.210009     -0.424816     -1.053750
  C      -5.265297      0.271658     -2.272939
  N      -4.678645      1.444372     -2.501684
  C      -3.993093      2.000451     -1.460710
  C      -3.372536      3.262635     -1.634322
  C      -2.714156      3.849273     -0.568233
  C      -2.686004      3.180935      0.668404
  N      -3.245095      1.990379      0.880063
  C      -3.879550      1.388969     -0.165633
  C      -3.295206      5.255383      5.273233
  C      -4.517275      5.660548      4.449739
  C      -4.171579      5.966417      2.991052
  O      -5.058277      5.323355      2.047494
  C      -6.323458      5.777546      1.924454
  C      -6.861838      6.867641      2.593280
  C      -8.205980      7.222057      2.351043
  N      -9.025986      6.597604      1.520190
  C      -8.507315      5.524563      0.848039
  C      -9.322418      4.825138     -0.074164
  C      -8.797850      3.748256     -0.756585
  C      -7.462224      3.362660     -0.506680
  N      -6.659676      3.985112      0.344199
  C      -7.163638      5.057570      1.011461
  C      -6.400145      2.346663      6.631063
  C      -6.982845      3.779206      6.649958
  C      -8.274924      3.916471      5.859685
  O      -8.034742      3.354684      4.553378
  C      -9.090563      3.169292      3.729149
  C     -10.284740      3.875683      3.786926
  C     -11.284060      3.598489      2.835009
  N     -11.194643      2.682698      1.877530
  C     -10.038407      1.957088      1.830993
  C      -9.892918      0.942522      0.853484
  C      -8.731258      0.191095      0.823966
  C      -7.718001      0.457763      1.761785
  N      -7.803413      1.407870      2.693702
  C      -8.941453      2.157343      2.730331
  H      -4.512865     -1.273646      5.045898
  H      -5.008422     -0.125120      3.792833
  H      -2.616678     -2.030385      3.500379
  H      -4.254326     -2.399415      2.945881
  H      -2.696253     -1.528756      1.136135
  H      -2.671958      0.052739      1.992726
  H      -5.710787     -1.386645     -0.934893
  H      -5.818572     -0.163829     -3.111579
  H      -3.447538      3.745166     -2.609940
  H      -2.235083      4.824570     -0.666297
  H      -2.199706      3.640626      1.534943
  H      -2.523768      6.045811      5.163731
  H      -3.589579      5.276235      6.345099
  H      -4.994389      6.524990      4.935051
  H      -5.259068      4.848788      4.476582
  H      -3.193566      5.532587      2.746101
  H      -4.144433      7.048005      2.782956
  H      -6.275562      7.454907      3.297875
  H      -8.622919      8.082702      2.885645
  H     -10.352038      5.157461     -0.212426
  H      -9.399719      3.184188     -1.469843
  H      -7.036558      2.501640     -1.030901
  H      -6.803066      1.767705      7.485211
  H      -6.739624      1.851773      5.712746
  H      -6.230123      4.453547      6.218197
  H      -7.170975      4.127435      7.677842
  H      -8.567656      4.975811      5.767921
  H      -9.107660      3.364793      6.329461
  H     -10.450834      4.653908      4.530288
  H     -12.213011      4.177192      2.864812
  H     -10.711724      0.780513      0.150702
  H      -8.586239     -0.598305      0.084930
  H      -6.792952     -0.124368      1.754522
  N      -5.053257      2.431659      3.260447
  H      -5.157442      3.396020      2.922587
  H      -6.022314      2.048668      3.258991
  H      -4.544009      1.980392      2.478148
102
Coordinates from ORCA-job orca E -6430.714333225690
  N      -3.186053      0.344673      4.730245
  Mo     -3.767527      2.225438      5.077088
  N      -4.938402      2.314916      6.635854
  C      -4.324683      2.420778      7.968546
  C      -3.019665      1.636787      7.964226
  N      -2.264547      1.946323      6.718273
  C      -1.390473      0.819314      6.301270
  C      -2.217246     -0.263813      5.635464
  C      -1.468637      3.197649      6.836453
  C      -1.364321      3.807609      5.437961
  N      -2.707010      3.970831      4.886092
  H      -1.528040     -0.955470      5.113729
  H      -2.742142     -0.880922      6.398235
  H      -0.669660      1.223229      5.577629
  H      -0.823079      0.420088      7.162673
  H      -0.823992      4.772229      5.487407
  H      -0.772818      3.145391      4.784775
  H      -2.016007      3.887126      7.494709
  H      -0.486457      2.989611      7.299927
  H      -4.987672      2.004179      8.749589
  H      -4.141877      3.478257      8.247069
  H      -3.254988      0.563358      7.943922
  H      -2.404761      1.839710      8.859605
  C      -4.136129     -0.640644      4.214913
  C      -3.554262     -1.570598      3.134920
  C      -3.252499     -0.868959      1.828522
  O      -4.532323     -0.540029      1.210890
  C      -4.515192      0.120146      0.016460
  C      -5.219389     -0.422658     -1.050975
  C      -5.273581      0.273794     -2.270338
  N      -4.684339      1.445050     -2.499529
  C      -3.996745      1.999564     -1.459150
  C      -3.373364      3.260419     -1.632753
  C      -2.712957      3.844939     -0.566903
  C      -2.685154      3.175882      0.669468
  N      -3.246701      1.986743      0.880893
  C      -3.883455      1.387696     -0.164501
  C      -3.289723      5.256502      5.272227
  C      -4.513351      5.661764      4.450934
  C      -4.170934      5.966943      2.991273
  O      -5.059802      5.323536      2.049785
  C      -6.325994      5.775972      1.928820
  C      -6.866776      6.862869      2.600933
  C      -8.211831      7.214722      2.359981
  N      -9.030418      6.590672      1.527443
  C      -8.509145      5.521110      0.851833
  C      -9.322298      4.822955     -0.073049
  C      -8.794685      3.750112     -0.759588
  C      -7.458175      3.367241     -0.510840
  N      -6.657365      3.988672      0.342325
  C      -7.164337      5.057069      1.013669
  C      -6.398466      2.348968      6.632056
  C      -6.983098      3.780642      6.647484
  C      -8.275422      3.913786      5.856943
  O      -8.033094      3.352541      4.550775
  C      -9.087957      3.166159      3.725620
  C     -10.283002      3.870945      3.784066
  C     -11.282178      3.593273      2.832177
  N     -11.191744      2.678400      1.874061
  C     -10.034493      1.954462      1.826569
  C      -9.887955      0.941281      0.847810
  C      -8.724800      0.192261      0.816209
  C      -7.711170      0.459914      1.753221
  N      -7.797915      1.408327      2.686799
  C      -8.937548      2.155342      2.725684
  H      -4.515625     -1.268469      5.047860
  H      -5.010034     -0.119796      3.794536
  H      -2.621907     -2.029238      3.500949
  H      -4.260637     -2.396820      2.949305
  H      -2.706199     -1.530224      1.135549
  H      -2.676326      0.052009      1.990717
  H      -5.722611     -1.383063     -0.931456
  H      -5.828513     -0.160311     -3.108555
  H      -3.448006      3.743574     -2.608040
  H      -2.231681      4.819096     -0.664798
  H      -2.196791      3.634110      1.535495
  H      -2.518100      6.046508      5.161099
  H      -3.582120      5.278205      6.344602
  H      -4.989054      6.526651      4.936788
  H      -5.255137      4.850228      4.480283
  H      -3.193637      5.532823      2.744002
  H      -4.144166      7.048305      2.782442
  H      -6.282046      7.449330      3.307288
  H      -8.630729      8.072656      2.897338
  H     -10.352675      5.153162     -0.210368
  H      -9.394725      3.187441     -1.475417
  H      -7.030168      2.509359     -1.038102
  H      -6.801278      1.771244      7.487071
  H      -6.736890      1.851784      5.714642
  H      -6.231920      4.455264      6.213495
  H      -7.171143      4.131443      7.674445
  H      -8.571245      4.972184      5.764261
  H      -9.106979      3.360167      6.326543
  H     -10.450168      4.647974      4.528423
  H     -12.211813      4.170775      2.862749
  H     -10.707069      0.778513      0.145631
  H      -8.578802     -0.595802      0.076002
  H      -6.784530     -0.119769      1.743720
  N      -5.052264      2.434183      3.261303
  H      -5.154262      3.398236      2.922070
  H      -6.022320      2.053317      3.260090
  H      -4.543968      1.981506      2.479535
102
Coordinates from ORCA-job orca E -6430.714335182060
  N      -3.186463      0.344431      4.730380
  Mo     -3.767778      2.225210      5.076781
  N      -4.938268      2.314737      6.635679
  C      -4.324465      2.420641      7.968394
  C      -3.019365      1.636732      7.963787
  N      -2.264487      1.946278      6.717624
  C      -1.390424      0.819300      6.300547
  C      -2.217397     -0.264011      5.635312
  C      -1.468733      3.197673      6.835470
  C      -1.364680      3.807670      5.436993
  N      -2.707543      3.970455      4.885312
  H      -1.528367     -0.955802      5.113487
  H      -2.742006     -0.881022      6.398366
  H      -0.670071      1.223101      5.576364
  H      -0.822440      0.420373      7.161719
  H      -0.824699      4.772477      5.486675
  H      -0.772811      3.145896      4.783662
  H      -2.016027      3.887194      7.493757
  H      -0.486357      2.989910      7.298709
  H      -4.987292      2.004067      8.749604
  H      -4.141571      3.478142      8.246804
  H      -3.254606      0.563282      7.943545
  H      -2.404327      1.839731      8.859082
  C      -4.136914     -0.640579      4.215156
  C      -3.555267     -1.570930      3.135404
  C      -3.253084     -0.869699      1.828854
  O      -4.532543     -0.538221      1.211802
  C      -4.514276      0.121631      0.017197
  C      -5.216944     -0.421509     -1.051045
  C      -5.268986      0.274289     -2.270892
  N      -4.678788      1.445128     -2.499880
  C      -3.992676      2.000026     -1.458788
  C      -3.368215      3.260436     -1.632247
  C      -2.709405      3.845437     -0.565736
  C      -2.684356      3.177484      0.671369
  N      -3.246989      1.988821      0.882627
  C      -3.882028      1.389161     -0.163438
  C      -3.289886      5.256278      5.271072
  C      -4.513583      5.661100      4.449749
  C      -4.171361      5.965935      2.989948
  O      -5.060253      5.322126      2.048619
  C      -6.326509      5.774467      1.928269
  C      -6.866952      6.860792      2.601513
  C      -8.212162      7.212824      2.361466
  N      -9.031083      6.589602      1.528691
  C      -8.510215      5.520537      0.851992
  C      -9.324008      4.823105     -0.072829
  C      -8.797115      3.750316     -0.759990
  C      -7.460644      3.366860     -0.511923
  N      -6.659140      3.987702      0.341035
  C      -7.165392      5.056103      1.013007
  C      -6.398335      2.349667      6.631510
  C      -6.982207      3.781449      6.646885
  C      -8.275496      3.914247      5.858081
  O      -8.033619      3.353463      4.551478
  C      -9.088735      3.166446      3.726786
  C     -10.283810      3.871142      3.785463
  C     -11.283173      3.593538      2.833756
  N     -11.192806      2.678833      1.875450
  C     -10.035513      1.954985      1.827658
  C      -9.889153      0.942021      0.848609
  C      -8.725954      0.193134      0.816513
  C      -7.712107      0.460575      1.753367
  N      -7.798672      1.408767      2.687222
  C      -8.938373      2.155738      2.726606
  H      -4.516994     -1.268163      5.048021
  H      -5.010330     -0.119317      3.794340
  H      -2.623030     -2.029740      3.501537
  H      -4.261919     -2.396964      2.949864
  H      -2.708434     -1.532125      1.135666
  H      -2.675072      0.050183      1.990612
  H      -5.720388     -1.381858     -0.931831
  H      -5.822698     -0.160061     -3.109791
  H      -3.440746      3.742810     -2.608097
  H      -2.227150      4.819120     -0.663898
  H      -2.197435      3.636327      1.537911
  H      -2.518322      6.046255      5.159381
  H      -3.582042      5.278600      6.343506
  H      -4.989138      6.526183      4.935407
  H      -5.255337      4.849629      4.479212
  H      -3.193932      5.532067      2.742638
  H      -4.145181      7.047265      2.780806
  H      -6.281945      7.446624      3.308226
  H      -8.630778      8.070283      2.899804
  H     -10.354376      5.153669     -0.209481
  H      -9.397711      3.188119     -1.475747
  H      -7.033378      2.508663     -1.039302
  H      -6.801899      1.771832      7.486112
  H      -6.736556      1.853177      5.713728
  H      -6.231640      4.455161      6.210380
  H      -7.167969      4.133799      7.673737
  H      -8.571870      4.972581      5.766361
  H      -9.106450      3.359892      6.327868
  H     -10.450665      4.648354      4.529749
  H     -12.212785      4.171084      2.864504
  H     -10.708431      0.779413      0.146574
  H      -8.580075     -0.594760      0.076083
  H      -6.785265     -0.118770      1.743220
  N      -5.053549      2.433185      3.261538
  H      -5.155307      3.396983      2.921191
  H      -6.024052      2.053178      3.260934
  H      -4.545608      1.979269      2.480174
102
Coordinates from ORCA-job orca E -6430.714337016814
  N      -3.187524      0.344872      4.730014
  Mo     -3.767897      2.225897      5.076598
  N      -4.937811      2.315206      6.635788
  C      -4.323614      2.420740      7.968328
  C      -3.018664      1.636531      7.963095
  N      -2.263949      1.946200      6.716884
  C      -1.390413      0.819108      6.299288
  C      -2.217799     -0.263910      5.633929
  C      -1.467957      3.197341      6.834760
  C      -1.364179      3.807731      5.436470
  N      -2.707271      3.970461      4.885203
  H      -1.528957     -0.955285      5.111285
  H      -2.741737     -0.881583      6.396914
  H      -0.670277      1.222825      5.574814
  H      -0.822046      0.419929      7.160074
  H      -0.824333      4.772561      5.486548
  H      -0.772109      3.146393      4.782849
  H      -2.014699      3.886856      7.493508
  H      -0.485307      2.989345      7.297337
  H      -4.986179      2.004174      8.749740
  H      -4.140301      3.478135      8.246794
  H      -3.254113      0.563142      7.942546
  H      -2.403488      1.839146      8.858379
  C      -4.138416     -0.639963      4.215251
  C      -3.557512     -1.570754      3.135437
  C      -3.254977     -0.870091      1.828675
  O      -4.534118     -0.534259      1.213383
  C      -4.514441      0.125526      0.018726
  C      -5.217101     -0.416097     -1.050243
  C      -5.267444      0.280536     -2.269710
  N      -4.675474      1.450678     -2.497649
  C      -3.989216      2.004042     -1.455900
  C      -3.362702      3.263675     -1.628130
  C      -2.703691      3.846984     -0.560833
  C      -2.680240      3.178155      0.675901
  N      -3.244808      1.990209      0.885894
  C      -3.880251      1.392324     -0.160875
  C      -3.288204      5.257599      5.268511
  C      -4.511866      5.662269      4.447009
  C      -4.169947      5.965377      2.986780
  O      -5.059188      5.320593      2.046357
  C      -6.325317      5.773228      1.925919
  C      -6.865107      6.860519      2.598097
  C      -8.210339      7.212661      2.358116
  N      -9.029732      6.588758      1.526391
  C      -8.509526      5.518675      0.850796
  C      -9.323832      4.820591     -0.073028
  C      -8.797589      3.746740     -0.759042
  C      -7.461337      3.362812     -0.510587
  N      -6.659306      3.984315      0.341390
  C      -7.164834      5.053916      1.011977
  C      -6.397966      2.349687      6.631801
  C      -6.982739      3.780991      6.646260
  C      -8.277480      3.911913      5.859568
  O      -8.036519      3.350919      4.552823
  C      -9.091741      3.164525      3.728230
  C     -10.286978      3.868883      3.787506
  C     -11.286342      3.591818      2.835619
  N     -11.195960      2.677716      1.876752
  C     -10.038554      1.954057      1.828469
  C      -9.892338      0.941331      0.849119
  C      -8.729106      0.192529      0.816649
  C      -7.715083      0.459771      1.753389
  N      -7.801567      1.407679      2.687526
  C      -8.941313      2.154500      2.727292
  H      -4.518556     -1.267333      5.048237
  H      -5.011636     -0.118440      3.794471
  H      -2.625469     -2.030117      3.501361
  H      -4.264773     -2.396305      2.950055
  H      -2.713405     -1.534236      1.134709
  H      -2.673906      0.048003      1.989726
  H      -5.721971     -1.375802     -0.931826
  H      -5.821266     -0.152448     -3.109232
  H      -3.433893      3.746802     -2.603706
  H      -2.219897      4.819981     -0.658308
  H      -2.193214      3.635817      1.542998
  H      -2.516021      6.046691      5.154969
  H      -3.579845      5.282305      6.341048
  H      -4.986618      6.528258      4.931819
  H      -5.254052      4.851228      4.477476
  H      -3.192647      5.531164      2.739679
  H      -4.143976      7.046432      2.776223
  H      -6.279706      7.447076      3.303867
  H      -8.628454      8.070832      2.895700
  H     -10.354036      5.151538     -0.209973
  H      -9.398507      3.184215     -1.474250
  H      -7.034624      2.503625     -1.036831
  H      -6.801301      1.771982      7.486574
  H      -6.735941      1.852752      5.714149
  H      -6.233734      4.454318      6.206520
  H      -7.166163      4.135450      7.672796
  H      -8.575093      4.969913      5.767979
  H      -9.107333      3.356725      6.330294
  H     -10.453955      4.645531      4.532349
  H     -12.216064      4.169142      2.866974
  H     -10.711785      0.778806      0.147271
  H      -8.583362     -0.595313      0.076132
  H      -6.788248     -0.119541      1.742977
  N      -5.055158      2.433061      3.262310
  H      -5.157656      3.396603      2.921396
  H      -6.025447      2.052623      3.261551
  H      -4.546819      1.979149      2.481132
102
Coordinates from ORCA-job orca E -6430.714338034777
  N      -3.188391      0.345013      4.729820
  Mo     -3.767765      2.226487      5.076152
  N      -4.937353      2.316494      6.635488
  C      -4.322905      2.422335      7.967845
  C      -3.018210      1.637655      7.962669
  N      -2.263547      1.946491      6.716223
  C      -1.390816      0.818747      6.298767
  C      -2.219028     -0.263965      5.633966
  C      -1.466856      3.197184      6.833418
  C      -1.363017      3.807006      5.434881
  N      -2.706327      3.970126      4.884058
  H      -1.530614     -0.956050      5.111679
  H      -2.743292     -0.881008      6.397262
  H      -0.670572      1.221732      5.573972
  H      -0.822463      0.419492      7.159519
  H      -0.822833      4.771635      5.484666
  H      -0.771243      3.145321      4.781333
  H      -2.012945      3.887304      7.492073
  H      -0.484126      2.988843      7.295701
  H      -4.985395      2.006166      8.749526
  H      -4.139218      3.479747      8.245947
  H      -3.254067      0.564344      7.942540
  H      -2.402861      1.840369      8.857804
  C      -4.139453     -0.639746      4.215226
  C      -3.558786     -1.571340      3.135960
  C      -3.255612     -0.871541      1.828919
  O      -4.534329     -0.533471      1.213972
  C      -4.513017      0.125795      0.019048
  C      -5.214308     -0.415460     -1.050966
  C      -5.262801      0.281539     -2.270337
  N      -4.670455      1.451713     -2.497131
  C      -3.985450      2.004681     -1.454332
  C      -3.358475      3.264307     -1.625162
  C      -2.700545      3.846900     -0.556765
  C      -2.678482      3.177357      0.679617
  N      -3.243598      1.989441      0.888294
  C      -3.878087      1.392373     -0.159512
  C      -3.285718      5.258204      5.266571
  C      -4.510363      5.662829      4.446454
  C      -4.170078      5.965082      2.985661
  O      -5.060459      5.320082      2.046409
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  C      -6.865840      6.860254      2.599508
  C      -8.211210      7.212518      2.360338
  N      -9.031146      6.588791      1.529035
  C      -8.511384      5.518834      0.852862
  C      -9.326142      4.821135     -0.070848
  C      -8.800220      3.747567     -0.757573
  C      -7.463840      3.363565     -0.509967
  N      -6.661425      3.984666      0.341952
  C      -7.166658      5.053947      1.013229
  C      -6.397511      2.350997      6.631493
  C      -6.982244      3.782316      6.643642
  C      -8.277985      3.911852      5.858418
  O      -8.038408      3.348268      4.552560
  C      -9.093773      3.162788      3.728147
  C     -10.289225      3.866717      3.788128
  C     -11.288736      3.589804      2.836311
  N     -11.198319      2.676286      1.876895
  C     -10.040709      1.952938      1.828059
  C      -9.894275      0.940832      0.848093
  C      -8.730845      0.192345      0.815141
  C      -7.716708      0.459461      1.751825
  N      -7.803321      1.406937      2.686373
  C      -8.943359      2.153244      2.726694
  H      -4.519988     -1.266631      5.048385
  H      -5.012359     -0.118060      3.793983
  H      -2.626857     -2.030753      3.502151
  H      -4.266267     -2.396780      2.950969
  H      -2.715497     -1.536855      1.134939
  H      -2.672977      0.045658      1.989488
  H      -5.719689     -1.375013     -0.933440
  H      -5.815614     -0.151083     -3.110718
  H      -3.428439      3.747973     -2.600564
  H      -2.216506      4.819887     -0.653167
  H      -2.191997      3.634400      1.547344
  H      -2.513138      6.046608      5.150997
  H      -3.575690      5.284370      6.339533
  H      -4.984138      6.529280      4.931372
  H      -5.252699      4.851916      4.478408
  H      -3.193177      5.530564      2.737542
  H      -4.144100      7.046017      2.774506
  H      -6.280007      7.446772      3.304925
  H      -8.628906      8.070703      2.898239
  H     -10.356431      5.152085     -0.207148
  H      -9.401544      3.185303     -1.472651
  H      -7.037364      2.504588     -1.036729
  H      -6.800848      1.774610      7.487132
  H      -6.735520      1.852711      5.714526
  H      -6.233975      4.454536      6.200901
  H      -7.163895      4.139410      7.669573
  H      -8.575373      4.969757      5.764974
  H      -9.107566      3.357814      6.330989
  H     -10.456487      4.642657      4.533648
  H     -12.218624      4.166833      2.868291
  H     -10.713692      0.778568      0.146148
  H      -8.584971     -0.595098      0.074220
  H      -6.789721     -0.119596      1.741016
  N      -5.055778      2.432730      3.262142
  H      -5.158595      3.395975      2.920532
  H      -6.025863      2.051913      3.261303
  H      -4.547320      1.978668      2.481129
102
Coordinates from ORCA-job orca E -6430.714339223143
  N      -3.188542      0.345131      4.729944
  Mo     -3.767651      2.226682      5.076448
  N      -4.937556      2.316504      6.635567
  C      -4.323493      2.422050      7.968093
  C      -3.018701      1.637530      7.963113
  N      -2.263865      1.946475      6.716809
  C      -1.391137      0.818699      6.299238
  C      -2.219340     -0.263913      5.634262
  C      -1.467077      3.197069      6.834361
  C      -1.362820      3.807001      5.435894
  N      -2.706017      3.970165      4.884742
  H      -1.530882     -0.956044      5.112104
  H      -2.743875     -0.880815      6.397475
  H      -0.670796      1.221801      5.574627
  H      -0.822960      0.419253      7.160026
  H      -0.822708      4.771655      5.485865
  H      -0.770903      3.145365      4.782449
  H      -2.013309      3.887190      7.492891
  H      -0.484512      2.988561      7.296906
  H      -4.986166      2.005455      8.749407
  H      -4.140138      3.479413      8.246603
  H      -3.254444      0.564198      7.942958
  H      -2.403479      1.840294      8.858320
  C      -4.139485     -0.639540      4.215057
  C      -3.558873     -1.570811      3.135494
  C      -3.256162     -0.870713      1.828476
  O      -4.535090     -0.532560      1.213989
  C      -4.514067      0.126493      0.018884
  C      -5.215763     -0.414922     -1.050784
  C      -5.264707      0.281887     -2.270239
  N      -4.672385      1.451976     -2.497467
  C      -3.986852      2.005044     -1.455041
  C      -3.359872      3.264555     -1.626368
  C      -2.701329      3.847221     -0.558358
  C      -2.678734      3.177828      0.678047
  N      -3.243939      1.990029      0.887240
  C      -3.879055      1.392909     -0.160165
  C      -3.285228      5.258588      5.266568
  C      -4.509712      5.663139      4.446206
  C      -4.169041      5.965438      2.985517
  O      -5.059225      5.320574      2.046040
  C      -6.325424      5.773262      1.926431
  C      -6.864819      6.860716      2.598672
  C      -8.210245      7.212678      2.359465
  N      -9.030150      6.588485      1.528476
  C      -8.510241      5.518399      0.852626
  C      -9.324933      4.820187     -0.070768
  C      -8.798758      3.746633     -0.757324
  C      -7.462227      3.363082     -0.509833
  N      -6.659929      3.984624      0.341875
  C      -7.165397      5.053900      1.012958
  C      -6.397706      2.350579      6.631275
  C      -6.982809      3.781730      6.644144
  C      -8.278535      3.911225      5.858868
  O      -8.038607      3.348136      4.552859
  C      -9.093918      3.162412      3.728413
  C     -10.289489      3.866138      3.788329
  C     -11.288877      3.589011      2.836469
  N     -11.198230      2.675489      1.877075
  C     -10.040479      1.952397      1.828255
  C      -9.893840      0.940219      0.848409
  C      -8.730270      0.191952      0.815565
  C      -7.716255      0.459309      1.752300
  N      -7.803054      1.406839      2.686764
  C      -8.943216      2.152956      2.726954
  H      -4.519962     -1.266649      5.048084
  H      -5.012411     -0.117743      3.793971
  H      -2.626652     -2.029936      3.501337
  H      -4.266139     -2.396448      2.950660
  H      -2.716167     -1.535820      1.134209
  H      -2.673558      0.046492      1.989130
  H      -5.721227     -1.374387     -0.932943
  H      -5.817844     -0.150892     -3.110325
  H      -3.430263      3.748087     -2.601800
  H      -2.217314      4.820181     -0.655084
  H      -2.191776      3.634884      1.545496
  H      -2.512429      6.046726      5.150669
  H      -3.575224      5.285189      6.339501
  H      -4.983716      6.529511      4.931025
  H      -5.251926      4.852129      4.477983
  H      -3.192122      5.530833      2.737636
  H      -4.142741      7.046398      2.774505
  H      -6.279037      7.447575      3.303842
  H      -8.628075      8.071000      2.897040
  H     -10.355335      5.150793     -0.207028
  H      -9.400004      3.184027     -1.472195
  H      -7.035473      2.504259     -1.036629
  H      -6.801038      1.773606      7.486539
  H      -6.735426      1.852738      5.713987
  H      -6.234735      4.454352      6.201703
  H      -7.164613      4.138199      7.670262
  H      -8.576184      4.969080      5.765723
  H      -9.107947      3.356755      6.331217
  H     -10.456937      4.641947      4.533938
  H     -12.218920      4.165791      2.868395
  H     -10.713208      0.777709      0.146465
  H      -8.584215     -0.595486      0.074683
  H      -6.789242     -0.119700      1.741699
  N      -5.055409      2.433668      3.262389
  H      -5.157477      3.396954      2.920647
  H      -6.025741      2.053512      3.261908
  H      -4.547571      1.979087      2.481282
102
Coordinates from ORCA-job orca E -6430.714340183029
  N      -3.188511      0.345256      4.730256
  Mo     -3.767039      2.227111      5.076802
  N      -4.937930      2.316621      6.635228
  C      -4.324950      2.421511      7.968267
  C      -3.019860      1.637454      7.963993
  N      -2.264503      1.946634      6.718061
  C      -1.391645      0.818825      6.300377
  C      -2.219670     -0.263690      5.635129
  C      -1.467570      3.197056      6.836459
  C      -1.362200      3.807143      5.438128
  N      -2.705108      3.970325      4.886101
  H      -1.531046     -0.955980      5.113422
  H      -2.744837     -0.880141      6.398247
  H      -0.671120      1.222243      5.576176
  H      -0.823884      0.419066      7.161322
  H      -0.822325      4.771894      5.488513
  H      -0.769886      3.145587      4.785013
  H      -2.014361      3.887198      7.494501
  H      -0.485489      2.988242      7.299869
  H      -4.988178      2.003946      8.748621
  H      -4.142427      3.478769      8.247734
  H      -3.255231      0.564043      7.943914
  H      -2.405031      1.840521      8.859391
  C      -4.139036     -0.639393      4.214774
  C      -3.558245     -1.570186      3.134935
  C      -3.256562     -0.869703      1.827837
  O      -4.535982     -0.531558      1.214321
  C      -4.515474      0.126770      0.018665
  C      -5.217642     -0.415393     -1.050309
  C      -5.267455      0.280823     -2.270072
  N      -4.675515      1.450917     -2.498233
  C      -3.989256      2.004571     -1.456503
  C      -3.362608      3.263981     -1.628926
  C      -2.703036      3.847053     -0.561680
  C      -2.679289      3.178079      0.674820
  N      -3.244435      1.990398      0.885207
  C      -3.880613      1.392956     -0.161412
  C      -3.283832      5.259568      5.266267
  C      -4.508420      5.663338      4.445821
  C      -4.167371      5.965963      2.985290
  O      -5.057225      5.321511      2.045360
  C      -6.323599      5.773801      1.925982
  C      -6.863212      6.860998      2.598426
  C      -8.208826      7.212458      2.359741
  N      -9.028861      6.587855      1.529162
  C      -8.508764      5.518007      0.853079
  C      -9.323585      4.819276     -0.069837
  C      -8.797094      3.746159     -0.756823
  C      -7.460122      3.363477     -0.510307
  N      -6.657806      3.985436      0.341080
  C      -7.163600      5.054232      1.012664
  C      -6.398058      2.349891      6.629893
  C      -6.983801      3.780753      6.644566
  C      -8.279753      3.910358      5.859576
  O      -8.039336      3.348861      4.552972
  C      -9.094598      3.162472      3.728558
  C     -10.290621      3.865406      3.788671
  C     -11.289854      3.587604      2.836878
  N     -11.198646      2.674167      1.877445
  C     -10.040390      1.951957      1.828334
  C      -9.893198      0.939810      0.848580
  C      -8.729101      0.192389      0.815620
  C      -7.715190      0.460503      1.752242
  N      -7.802425      1.408074      2.686617
  C      -8.943144      2.153368      2.726923
  H      -4.519454     -1.266828      5.047612
  H      -5.012008     -0.117578      3.793772
  H      -2.625323     -2.028381      3.500237
  H      -4.264868     -2.396466      2.950664
  H      -2.716742     -1.534430      1.133086
  H      -2.674087      0.047588      1.988558
  H      -5.723039     -1.374807     -0.931805
  H      -5.820944     -0.152607     -3.109596
  H      -3.433867      3.747112     -2.604484
  H      -2.219250      4.820048     -0.659109
  H      -2.191349      3.635224      1.541678
  H      -2.510711      6.047175      5.148919
  H      -3.573248      5.287440      6.339297
  H      -4.983215      6.529288      4.930595
  H      -5.249993      4.851764      4.477417
  H      -3.190379      5.531385      2.737618
  H      -4.140538      7.047033      2.774822
  H      -6.277357      7.448077      3.303374
  H      -8.626838      8.070672      2.897344
  H     -10.354299      5.149177     -0.205435
  H      -9.398458      3.183151     -1.471280
  H      -7.032962      2.505284     -1.037811
  H      -6.801654      1.771556      7.484154
  H      -6.734995      1.853162      5.711801
  H      -6.236223      4.454260      6.202647
  H      -7.165558      4.135636      7.671238
  H      -8.578122      4.968094      5.767517
  H      -9.108585      3.354717      6.331562
  H     -10.458547      4.640802      4.534599
  H     -12.220385      4.163594      2.868871
  H     -10.712551      0.776613      0.146770
  H      -8.582564     -0.594872      0.074653
  H      -6.787897     -0.118057      1.741716
  N      -5.054041      2.435355      3.262407
  H      -5.154677      3.398708      2.920343
  H      -6.024792      2.056369      3.262782
  H      -4.547456      1.979738      2.481118
102
Coordinates from ORCA-job orca E -6430.714341050837
  N      -3.188913      0.345303      4.730574
  Mo     -3.766566      2.227567      5.077129
  N      -4.938191      2.317167      6.635039
  C      -4.326074      2.421587      7.968504
  C      -3.020917      1.637603      7.964845
  N      -2.265165      1.946645      6.719102
  C      -1.392484      0.818569      6.301457
  C      -2.220630     -0.263714      5.636090
  C      -1.467801      3.196746      6.838034
  C      -1.361324      3.806726      5.439754
  N      -2.703989      3.970259      4.887090
  H      -1.532042     -0.956449      5.114938
  H      -2.746552     -0.879529      6.399195
  H      -0.671709      1.221996      5.577540
  H      -0.825154      0.418497      7.162563
  H      -0.821329      4.771384      5.490339
  H      -0.768923      3.144951      4.786970
  H      -2.014962      3.887148      7.495502
  H      -0.486221      2.987515      7.302299
  H      -4.989838      2.003510      8.748146
  H      -4.143951      3.478737      8.248636
  H      -3.256208      0.564175      7.945018
  H      -2.406290      1.840934      8.860318
  C      -4.139205     -0.639168      4.214513
  C      -3.558170     -1.569614      3.134513
  C      -3.257009     -0.868878      1.827397
  O      -4.536638     -0.530212      1.214583
  C      -4.516188      0.127308      0.018355
  C      -5.218316     -0.415716     -1.050194
  C      -5.268459      0.279818     -2.270351
  N      -4.676891      1.449957     -2.499222
  C      -3.990443      2.004318     -1.457931
  C      -3.364125      3.263698     -1.631243
  C      -2.704106      3.847309     -0.564513
  C      -2.679718      3.178857      0.672187
  N      -3.244780      1.991262      0.883548
  C      -3.881430      1.393339     -0.162539
  C      -3.281640      5.260588      5.265514
  C      -4.506695      5.663659      4.445545
  C      -4.165993      5.966315      2.984922
  O      -5.056002      5.322197      2.045042
  C      -6.322501      5.774271      1.926076
  C      -6.862179      6.861254      2.598797
  C      -8.207970      7.212359      2.360698
  N      -9.028201      6.587506      1.530469
  C      -8.508030      5.517889      0.854067
  C      -9.323030      4.818852     -0.068479
  C      -8.796366      3.746124     -0.755938
  C      -7.459021      3.364108     -0.510346
  N      -6.656609      3.986308      0.340764
  C      -7.162605      5.054647      1.012909
  C      -6.398291      2.349841      6.628827
  C      -6.984406      3.780538      6.644221
  C      -8.280811      3.909762      5.859864
  O      -8.040368      3.348619      4.553152
  C      -9.095570      3.161780      3.728813
  C     -10.292010      3.863981      3.789082
  C     -11.291012      3.585680      2.837194
  N     -11.199205      2.672440      1.877632
  C     -10.040493      1.950991      1.828343
  C      -9.892659      0.939026      0.848527
  C      -8.728059      0.192421      0.815492
  C      -7.714330      0.461122      1.752165
  N      -7.802131      1.408541      2.686618
  C      -8.943381      2.153039      2.726971
  H      -4.519788     -1.266851      5.047111
  H      -5.012121     -0.117243      3.793495
  H      -2.624809     -2.027172      3.499537
  H      -4.264336     -2.396347      2.950581
  H      -2.717570     -1.533500      1.132259
  H      -2.674275      0.048238      1.988222
  H      -5.723617     -1.375113     -0.931171
  H      -5.821913     -0.154305     -3.109542
  H      -3.435837      3.746369     -2.606991
  H      -2.220537      4.820349     -0.662517
  H      -2.191272      3.636238      1.538642
  H      -2.508090      6.047453      5.145987
  H      -3.569803      5.290215      6.338806
  H      -4.981873      6.529366      4.930359
  H      -5.247778      4.851654      4.477493
  H      -3.189072      5.531656      2.737056
  H      -4.138734      7.047441      2.774735
  H      -6.276172      7.448451      3.303525
  H      -8.626049      8.070457      2.898431
  H     -10.353990      5.148237     -0.203456
  H      -9.397888      3.182871     -1.470072
  H      -7.031590      2.506438     -1.038489
  H      -6.802235      1.770841      7.482508
  H      -6.734580      1.853553      5.710295
  H      -6.237352      4.454386      6.201937
  H      -7.165626      4.134825      7.671186
  H      -8.579784      4.967338      5.768041
  H      -9.109047      3.353511      6.332173
  H     -10.460436      4.638998      4.535287
  H     -12.221947      4.161024      2.869169
  H     -10.711913      0.775281      0.146724
  H      -8.580981     -0.594597      0.074377
  H      -6.786752     -0.116964      1.741686
  N      -5.053110      2.436613      3.262398
  H      -5.152670      3.399922      2.919926
  H      -6.024137      2.058480      3.263411
  H      -4.547394      1.980057      2.481129
102
Coordinates from ORCA-job orca E -6430.714341975711
  N      -3.189300      0.345335      4.730874
  Mo     -3.765970      2.228095      5.077261
  N      -4.938323      2.317919      6.634622
  C      -4.327048      2.421878      7.968533
  C      -3.021892      1.637845      7.965502
  N      -2.265725      1.946706      6.719936
  C      -1.393238      0.818354      6.302421
  C      -2.221503     -0.263716      5.636956
  C      -1.467935      3.196500      6.839395
  C      -1.360318      3.806357      5.441188
  N      -2.702746      3.970284      4.887916
  H      -1.532959     -0.956859      5.116293
  H      -2.748052     -0.879004      6.400053
  H      -0.672227      1.221731      5.578726
  H      -0.826297      0.418024      7.163679
  H      -0.820117      4.770867      5.491979
  H      -0.767858      3.144327      4.788728
  H      -2.015527      3.887158      7.496250
  H      -0.486882      2.986882      7.304586
  H      -4.991397      2.003491      8.747516
  H      -4.145136      3.478908      8.249221
  H      -3.257145      0.564408      7.945940
  H      -2.407473      1.841437      8.861052
  C      -4.139385     -0.639011      4.214338
  C      -3.558002     -1.569256      3.134339
  C      -3.257211     -0.868420      1.827189
  O      -4.536985     -0.529300      1.214956
  C      -4.516530      0.127517      0.018251
  C      -5.218623     -0.416123     -1.049987
  C      -5.269000      0.278977     -2.270407
  N      -4.677688      1.449160     -2.499730
  C      -3.991070      2.003975     -1.458751
  C      -3.364906      3.263307     -1.632662
  C      -2.704454      3.847174     -0.566307
  C      -2.679569      3.179015      0.670510
  N      -3.244664      1.991518      0.882537
  C      -3.881778      1.393402     -0.163173
  C      -3.279104      5.261823      5.264329
  C      -4.504903      5.663861      4.445095
  C      -4.164905      5.966594      2.984315
  O      -5.055151      5.322715      2.044621
  C      -6.321803      5.774523      1.926339
  C      -6.861443      6.861079      2.599754
  C      -8.207451      7.211897      2.362525
  N      -9.027968      6.587072      1.532531
  C      -8.507827      5.517884      0.855425
  C      -9.323155      4.818854     -0.066846
  C      -8.796505      3.746614     -0.755067
  C      -7.458800      3.365094     -0.510606
  N      -6.656103      3.987281      0.340238
  C      -7.162128      5.055065      1.013250
  C      -6.398403      2.350096      6.627490
  C      -6.984928      3.780620      6.643434
  C      -8.281881      3.909268      5.859862
  O      -8.041508      3.348607      4.552972
  C      -9.096674      3.161245      3.728749
  C     -10.293589      3.862598      3.789338
  C     -11.292468      3.583752      2.837472
  N     -11.200118      2.670720      1.877766
  C     -10.040898      1.950110      1.828167
  C      -9.892498      0.938333      0.848257
  C      -8.727364      0.192604      0.814991
  C      -7.713682      0.461962      1.751556
  N      -7.801972      1.409234      2.686094
  C      -8.943803      2.152860      2.726670
  H      -4.520179     -1.266855      5.046731
  H      -5.012238     -0.117069      3.793207
  H      -2.624328     -2.026247      3.499293
  H      -4.263756     -2.396397      2.950661
  H      -2.718113     -1.533014      1.131767
  H      -2.674191      0.048524      1.988057
  H      -5.723876     -1.375497     -0.930624
  H      -5.822438     -0.155598     -3.109377
  H      -3.436937      3.745716     -2.608513
  H      -2.220909      4.820185     -0.664712
  H      -2.190583      3.636402      1.536665
  H      -2.505184      6.047909      5.142028
  H      -3.565590      5.293647      6.337984
  H      -4.980598      6.529230      4.929994
  H      -5.245294      4.851239      4.477563
  H      -3.188036      5.532015      2.736068
  H      -4.137509      7.047782      2.774386
  H      -6.275180      7.448156      3.304385
  H      -8.625524      8.069686      2.900749
  H     -10.354344      5.147856     -0.201015
  H      -9.398309      3.183334     -1.468945
  H      -7.031279      2.507951     -1.039541
  H      -6.802774      1.770534      7.480610
  H      -6.734014      1.854130      5.708562
  H      -6.238474      4.454790      6.200638
  H      -7.165496      4.134426      7.670673
  H      -8.581695      4.966632      5.768386
  H      -9.109386      3.352257      6.332566
  H     -10.462469      4.637262      4.535809
  H     -12.223847      4.158378      2.869574
  H     -10.711746      0.773992      0.146579
  H      -8.579804     -0.594190      0.073734
  H      -6.785746     -0.115539      1.740920
  N      -5.052148      2.437572      3.262119
  H      -5.151119      3.400859      2.919420
  H      -6.023300      2.059911      3.263672
  H      -4.546978      1.980444      2.480851
102
Coordinates from ORCA-job orca E -6430.714343040569
  N      -3.190186      0.345345      4.731354
  Mo     -3.765317      2.228810      5.077409
  N      -4.938400      2.319363      6.634195
  C      -4.328015      2.422860      7.968591
  C      -3.023137      1.638315      7.966303
  N      -2.266463      1.946596      6.720854
  C      -1.394502      0.817653      6.303709
  C      -2.223186     -0.263990      5.638159
  C      -1.467851      3.195846      6.840753
  C      -1.358729      3.805325      5.442567
  N      -2.700866      3.970117      4.888695
  H      -1.534868     -0.957841      5.118135
  H      -2.750605     -0.878553      6.401246
  H      -0.673037      1.220629      5.580249
  H      -0.828144      0.416975      7.165200
  H      -0.817875      4.769440      5.493466
  H      -0.766467      3.142695      4.790543
  H      -2.015781      3.887044      7.496774
  H      -0.487488      2.985608      7.307107
  H      -4.993139      2.004556      8.746951
  H      -4.145902      3.479729      8.249700
  H      -3.258690      0.564943      7.947132
  H      -2.408848      1.842091      8.861896
  C      -4.140208     -0.638645      4.214173
  C      -3.558434     -1.568677      3.134166
  C      -3.257550     -0.867683      1.827125
  O      -4.537232     -0.527762      1.215197
  C      -4.516483      0.128232      0.017965
  C      -5.218344     -0.416086     -1.050050
  C      -5.268706      0.278487     -2.270798
  N      -4.677615      1.448700     -2.500524
  C      -3.991016      2.004022     -1.459794
  C      -3.364971      3.263327     -1.634264
  C      -2.704304      3.847528     -0.568222
  C      -2.679108      3.179744      0.668783
  N      -3.244253      1.992360      0.881420
  C      -3.881622      1.393965     -0.163972
  C      -3.275046      5.263421      5.262441
  C      -4.502074      5.664242      4.444584
  C      -4.163566      5.966779      2.983388
  O      -5.054541      5.323087      2.044385
  C      -6.321370      5.774664      1.927110
  C      -6.860853      6.860786      2.601343
  C      -8.207137      7.211277      2.365241
  N      -9.028053      6.586500      1.535578
  C      -8.508030      5.517794      0.857618
  C      -9.323793      4.818839     -0.064326
  C      -8.797247      3.747132     -0.753460
  C      -7.459147      3.366121     -0.510322
  N      -6.656050      3.988230      0.340195
  C      -7.162034      5.055402      1.014220
  C      -6.398460      2.351066      6.626071
  C      -6.985457      3.781406      6.641852
  C      -8.283178      3.908883      5.859376
  O      -8.043138      3.348038      4.552575
  C      -9.098282      3.159993      3.728597
  C     -10.295799      3.860265      3.789535
  C     -11.294525      3.580707      2.837690
  N     -11.201470      2.667950      1.877806
  C     -10.041608      1.948377      1.827903
  C      -9.892423      0.936890      0.847821
  C      -8.726623      0.192254      0.814324
  C      -7.713048      0.462399      1.750827
  N      -7.802048      1.409434      2.685504
  C      -8.944593      2.151961      2.726290
  H      -4.521449     -1.266677      5.046228
  H      -5.012886     -0.116518      3.792899
  H      -2.624685     -2.025400      3.499261
  H      -4.263931     -2.396032      2.950419
  H      -2.718818     -1.532330      1.131473
  H      -2.674031      0.048919      1.988202
  H      -5.723581     -1.375422     -0.930347
  H      -5.821991     -0.156553     -3.109628
  H      -3.437153      3.745427     -2.610254
  H      -2.220760      4.820500     -0.667013
  H      -2.189775      3.637235      1.534692
  H      -2.500554      6.048317      5.136020
  H      -3.558867      5.298498      6.336678
  H      -4.978090      6.529347      4.929619
  H      -5.241698      4.850951      4.478164
  H      -3.186905      5.532176      2.734327
  H      -4.136091      7.047988      2.773512
  H      -6.274211      7.447735      3.305766
  H      -8.625128      8.068715      2.904083
  H     -10.355220      5.147481     -0.197546
  H      -9.399403      3.183887     -1.467067
  H      -7.031600      2.509523     -1.040129
  H      -6.803364      1.771325      7.478841
  H      -6.733316      1.854963      5.706943
  H      -6.239778      4.455696      6.197947
  H      -7.165090      4.135306      7.669215
  H      -8.584049      4.965931      5.767755
  H      -9.109765      3.351253      6.332971
  H     -10.465263      4.634598      4.536214
  H     -12.226429      4.154477      2.869935
  H     -10.711614      0.771838      0.146238
  H      -8.578418     -0.594283      0.072922
  H      -6.784655     -0.114345      1.740017
  N      -5.051236      2.438510      3.261694
  H      -5.149717      3.401692      2.918640
  H      -6.022463      2.061241      3.263704
  H      -4.546442      1.980702      2.480622
102
Coordinates from ORCA-job orca E -6430.714343520021
  N      -3.191101      0.345382      4.731847
  Mo     -3.764684      2.229569      5.077322
  N      -4.938404      2.321037      6.633546
  C      -4.328755      2.424121      7.968368
  C      -3.024315      1.638814      7.966763
  N      -2.267081      1.946475      6.721448
  C      -1.395654      0.816940      6.304795
  C      -2.224758     -0.264287      5.639144
  C      -1.467668      3.195198      6.841738
  C      -1.357132      3.804324      5.443585
  N      -2.698989      3.970073      4.889200
  H      -1.536668     -0.958703      5.119558
  H      -2.752815     -0.878378      6.402176
  H      -0.673720      1.219401      5.581510
  H      -0.829828      0.416002      7.166517
  H      -0.815497      4.767971      5.494619
  H      -0.765097      3.141100      4.791948
  H      -2.015848      3.886912      7.497020
  H      -0.487931      2.984377      7.309137
  H      -4.994657      2.006241      8.746273
  H      -4.146117      3.480835      8.249646
  H      -3.260345      0.565547      7.947839
  H      -2.410159      1.842587      8.862444
  C      -4.141120     -0.638278      4.214119
  C      -3.558947     -1.568240      3.134225
  C      -3.257649     -0.867183      1.827335
  O      -4.537129     -0.527015      1.215213
  C      -4.516144      0.128620      0.017779
  C      -5.217969     -0.415840     -1.050170
  C      -5.268320      0.278643     -2.270986
  N      -4.677226      1.448850     -2.500767
  C      -3.990526      2.004189     -1.460138
  C      -3.364335      3.263430     -1.634737
  C      -2.703412      3.847548     -0.568822
  C      -2.678071      3.179784      0.668215
  N      -3.243410      1.992512      0.880988
  C      -3.881064      1.394233     -0.164273
  C      -3.270907      5.265080      5.260353
  C      -4.499262      5.664661      4.443993
  C      -4.162454      5.966888      2.982324
  O      -5.054272      5.323206      2.044200
  C      -6.321250      5.774629      1.928071
  C      -6.860394      6.860286      2.603316
  C      -8.206934      7.210629      2.368452
  N      -9.028346      6.586148      1.539045
  C      -8.508636      5.517931      0.860080
  C      -9.324983      4.819326     -0.061609
  C      -8.798789      3.748082     -0.751732
  C      -7.460409      3.367226     -0.509871
  N      -6.656741      3.989018      0.340344
  C      -7.162419      5.055705      1.015394
  C      -6.398460      2.352458      6.624556
  C      -6.985943      3.782607      6.639860
  C      -8.284325      3.908773      5.858337
  O      -8.044572      3.347699      4.551629
  C      -9.099770      3.158732      3.728020
  C     -10.297950      3.857813      3.789408
  C     -11.296670      3.577382      2.837791
  N     -11.202983      2.664837      1.877774
  C     -10.042429      1.946384      1.827489
  C      -9.892549      0.935126      0.847271
  C      -8.726091      0.191570      0.813473
  C      -7.712527      0.462557      1.749793
  N      -7.802135      1.409457      2.684525
  C      -8.945377      2.150906      2.725594
  H      -4.522842     -1.266411      5.045876
  H      -5.013590     -0.115984      3.792627
  H      -2.625350     -2.024959      3.499699
  H      -4.264351     -2.395618      2.950158
  H      -2.718841     -1.531822      1.131729
  H      -2.673958      0.049283      1.988639
  H      -5.723274     -1.375129     -0.930377
  H      -5.821625     -0.156425     -3.109787
  H      -3.436550      3.745526     -2.610730
  H      -2.219647      4.820403     -0.667738
  H      -2.188398      3.637106      1.534020
  H      -2.495909      6.048821      5.129735
  H      -3.551957      5.303503      6.335190
  H      -4.975532      6.529558      4.929132
  H      -5.238118      4.850709      4.478804
  H      -3.186024      5.532297      2.732336
  H      -4.135146      7.048090      2.772338
  H      -6.273262      7.446931      3.307593
  H      -8.624700      8.067673      2.908093
  H     -10.356570      5.147865     -0.193854
  H      -9.401406      3.185082     -1.465141
  H      -7.033103      2.510993     -1.040476
  H      -6.803857      1.772749      7.477122
  H      -6.732654      1.856063      5.705332
  H      -6.240978      4.456972      6.194896
  H      -7.164846      4.136854      7.667228
  H      -8.586304      4.965493      5.766556
  H      -9.110044      3.350537      6.332751
  H     -10.467936      4.631933      4.536191
  H     -12.229150      4.150204      2.870352
  H     -10.711758      0.769332      0.145878
  H      -8.577323     -0.594806      0.072009
  H      -6.783658     -0.113407      1.738732
  N      -5.050429      2.439110      3.260989
  H      -5.149016      3.402250      2.917880
  H      -6.021574      2.061787      3.263209
  H      -4.545555      1.981164      2.480081
102
Coordinates from ORCA-job orca E -6430.714345753274
  N      -3.193215      0.345524      4.732547
  Mo     -3.764150      2.230822      5.076924
  N      -4.938428      2.324315      6.632557
  C      -4.329415      2.426954      7.967765
  C      -3.026110      1.639750      7.966984
  N      -2.268008      1.946024      6.721781
  C      -1.397803      0.815258      6.306081
  C      -2.227953     -0.265097      5.640325
  C      -1.466982      3.193714      6.842243
  C      -1.354481      3.802057      5.444005
  N      -2.695957      3.969757      4.889188
  H      -1.540474     -0.960471      5.121183
  H      -2.756932     -0.878544      6.403253
  H      -0.674946      1.216457      5.583000
  H      -0.832889      0.413901      7.168203
  H      -0.811179      4.764747      5.495020
  H      -0.763166      3.137627      4.792927
  H      -2.014961      3.886494      7.496581
  H      -0.488044      2.981794      7.310828
  H      -4.996411      2.010411      8.745418
  H      -4.145253      3.483436      8.248812
  H      -3.263551      0.566798      7.948276
  H      -2.411962      1.843017      8.862780
  C      -4.143625     -0.637301      4.214006
  C      -3.561214     -1.567371      3.134284
  C      -3.258205     -0.866210      1.827866
  O      -4.536902     -0.525554      1.214471
  C      -4.515025      0.130158      0.017137
  C      -5.216719     -0.413828     -1.051130
  C      -5.266466      0.280902     -2.271824
  N      -4.674917      1.450970     -2.501158
  C      -3.988272      2.005779     -1.460284
  C      -3.361530      3.264875     -1.634423
  C      -2.700627      3.848487     -0.568275
  C      -2.675702      3.180409      0.668652
  N      -3.241536      1.993312      0.880952
  C      -3.879228      1.395544     -0.164524
  C      -3.264011      5.267321      5.256923
  C      -4.494361      5.665704      4.443080
  C      -4.160536      5.966990      2.980493
  O      -5.054033      5.323016      2.044205
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  C      -6.859792      6.859532      2.606160
  C      -8.206777      7.209458      2.373171
  N      -9.028998      6.585036      1.544521
  C      -8.509777      5.517334      0.864382
  C      -9.327019      4.818890     -0.056621
  C      -8.801335      3.748125     -0.747890
  C      -7.462525      3.367651     -0.507857
  N      -6.657991      3.989301      0.341653
  C      -7.163216      5.055491      1.017834
  C      -6.398492      2.355560      6.622748
  C      -6.986640      3.785442      6.636218
  C      -8.285938      3.909261      5.855965
  O      -8.046788      3.346946      4.549738
  C      -9.102223      3.156258      3.726984
  C     -10.301443      3.853464      3.789024
  C     -11.300331      3.571364      2.838047
  N     -11.205800      2.658925      1.878034
  C     -10.044165      1.942228      1.827205
  C      -9.893268      0.931170      0.846918
  C      -8.725803      0.189255      0.812702
  C      -7.712194      0.461695      1.748605
  N      -7.802681      1.408584      2.683226
  C      -8.946959      2.148395      2.724690
  H      -4.526307     -1.265439      5.045308
  H      -5.015566     -0.114388      3.792191
  H      -2.628424     -2.025004      3.500625
  H      -4.267098     -2.394116      2.949152
  H      -2.718921     -1.530938      1.132706
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  H      -5.722420     -1.372938     -0.931591
  H      -5.819726     -0.153709     -3.110884
  H      -3.433335      3.747255     -2.610307
  H      -2.216387      4.821138     -0.666898
  H      -2.185972      3.637329      1.534628
  H      -2.488095      6.049179      5.120283
  H      -3.540875      5.310595      6.332657
  H      -4.970265      6.530700      4.928364
  H      -5.232524      4.851194      4.480151
  H      -3.184618      5.532215      2.728852
  H      -4.133592      7.048083      2.769881
  H      -6.271899      7.446059      3.309882
  H      -8.624166      8.066085      2.913762
  H     -10.358868      5.147176     -0.187451
  H      -9.404620      3.185264     -1.460833
  H      -7.035588      2.511762     -1.039322
  H      -6.804379      1.776635      7.475619
  H      -6.732020      1.858071      5.703841
  H      -6.242677      4.459578      6.189261
  H      -7.164581      4.141227      7.663224
  H      -8.589371      4.965490      5.763238
  H      -9.110548      3.350630      6.331869
  H     -10.472168      4.627528      4.535686
  H     -12.233686      4.142723      2.871181
  H     -10.712539      0.764160      0.145887
  H      -8.576241     -0.597048      0.071321
  H      -6.782602     -0.113077      1.737224
  N      -5.049967      2.439834      3.259812
  H      -5.148812      3.402822      2.916433
  H      -6.020973      2.062346      3.262040
  H      -4.544702      1.981635      2.479369
102
Coordinates from ORCA-job orca E -6430.714346404285
  N      -3.194918      0.345819      4.732866
  Mo     -3.764098      2.231820      5.076212
  N      -4.938656      2.326924      6.631457
  C      -4.329778      2.429310      7.966773
  C      -3.027519      1.640400      7.966448
  N      -2.268617      1.945710      6.721464
  C      -1.399287      0.814075      6.306462
  C      -2.230181     -0.265648      5.640564
  C      -1.466457      3.192649      6.841957
  C      -1.352830      3.800539      5.443639
  N      -2.694036      3.969727      4.888589
  H      -1.543140     -0.961404      5.121339
  H      -2.759527     -0.878988      6.403326
  H      -0.675763      1.214322      5.583507
  H      -0.834992      0.412504      7.168880
  H      -0.808324      4.762540      5.494711
  H      -0.762002      3.135350      4.792877
  H      -2.013923      3.886145      7.495961
  H      -0.487855      2.979921      7.310896
  H      -4.997443      2.014045      8.744512
  H      -4.144182      3.485647      8.247332
  H      -3.266359      0.567760      7.947490
  H      -2.413420      1.842803      8.862474
  C      -4.145728     -0.636381      4.213812
  C      -3.563324     -1.566818      3.134382
  C      -3.258652     -0.865771      1.828299
  O      -4.536664     -0.525880      1.213063
  C      -4.514229      0.130962      0.016468
  C      -5.216237     -0.411668     -1.052318
  C      -5.265566      0.284024     -2.272441
  N      -4.673268      1.453906     -2.500873
  C      -3.986382      2.007450     -1.459534
  C      -3.358855      3.266344     -1.632619
  C      -2.697797      3.848849     -0.565983
  C      -2.673400      3.179867      0.670497
  N      -3.239867      1.992904      0.881730
  C      -3.877736      1.396197     -0.164216
  C      -3.259650      5.268668      5.254764
  C      -4.490929      5.666950      4.442295
  C      -4.158815      5.967311      2.979119
  O      -5.053427      5.322885      2.044152
  C      -6.320688      5.774159      1.930933
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  N      -9.028924      6.584601      1.548507
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  C      -9.328437      4.818517     -0.052438
  C      -8.803378      3.747795     -0.744254
  C      -7.464301      3.367423     -0.505572
  N      -6.658928      3.989140      0.343110
  C      -7.163540      5.055316      1.019763
  C      -6.398754      2.358249      6.621339
  C      -6.987317      3.787932      6.633330
  C      -8.286975      3.910233      5.853527
  O      -8.047999      3.347075      4.547600
  C      -9.103810      3.154362      3.725820
  C     -10.303985      3.849885      3.788431
  C     -11.303220      3.565960      2.838373
  N     -11.208088      2.653333      1.878585
  C     -10.045482      1.938244      1.827254
  C      -9.893857      0.927087      0.847165
  C      -8.725522      0.186567      0.812573
  C      -7.711766      0.460468      1.747907
  N      -7.802842      1.407660      2.682159
  C      -8.947965      2.146144      2.723958
  H      -4.529171     -1.264326      5.044899
  H      -5.017134     -0.112903      3.791616
  H      -2.631345     -2.025458      3.501500
  H      -4.269839     -2.392825      2.948351
  H      -2.718160     -1.530417      1.133988
  H      -2.675320      0.050701      1.990757
  H      -5.722433     -1.370607     -0.933456
  H      -5.819096     -0.149543     -3.111862
  H      -3.430255      3.749458     -2.608174
  H      -2.212966      4.821284     -0.663894
  H      -2.183584      3.635980      1.536847
  H      -2.483061      6.049381      5.115263
  H      -3.534458      5.314390      6.330935
  H      -4.966076      6.532371      4.927545
  H      -5.229090      4.852500      4.480787
  H      -3.183258      5.532319      2.726504
  H      -4.132206      7.048272      2.767811
  H      -6.270054      7.445876      3.311039
  H      -8.622842      8.065603      2.917433
  H     -10.360455      5.146709     -0.182174
  H      -9.407341      3.184893     -1.456588
  H      -7.037895      2.511456     -1.037338
  H      -6.804747      1.780033      7.474624
  H      -6.732049      1.860007      5.702737
  H      -6.243904      4.461865      6.185163
  H      -7.165008      4.145126      7.659898
  H      -8.591186      4.966187      5.760130
  H      -9.111059      3.351426      6.330139
  H     -10.475232      4.624117      4.534803
  H     -12.237387      4.135958      2.872116
  H     -10.713302      0.758878      0.146621
  H      -8.575403     -0.599869      0.071441
  H      -6.781569     -0.113326      1.736336
  N      -5.049923      2.440386      3.258702
  H      -5.149123      3.403361      2.915345
  H      -6.020818      2.062631      3.260691
  H      -4.544141      1.982401      2.478492
102
Coordinates from ORCA-job orca E -6430.714347879230
  N      -3.198337      0.346650      4.733078
  Mo     -3.764464      2.233731      5.074815
  N      -4.939531      2.331841      6.629429
  C      -4.330735      2.433808      7.964793
  C      -3.030491      1.641626      7.965269
  N      -2.269973      1.945041      6.720816
  C      -1.402448      0.811654      6.307017
  C      -2.234866     -0.266704      5.640745
  C      -1.465513      3.190417      6.841176
  C      -1.349882      3.797342      5.442587
  N      -2.690533      3.969374      4.887038
  H      -1.548761     -0.963300      5.121416
  H      -2.765218     -0.879619      6.403150
  H      -0.677531      1.210108      5.584470
  H      -0.839538      0.409526      7.170069
  H      -0.803192      4.758105      5.493629
  H      -0.760050      3.130617      4.792501
  H      -2.011631      3.885388      7.494716
  H      -0.487404      2.976011      7.310417
  H      -4.999474      2.020767      8.742786
  H      -4.142563      3.489879      8.244517
  H      -3.272259      0.569649      7.945703
  H      -2.416497      1.842122      8.861802
  C      -4.150127     -0.634097      4.212932
  C      -3.568091     -1.565377      3.134044
  C      -3.260071     -0.864627      1.828558
  O      -4.536679     -0.525637      1.209771
  C      -4.512836      0.133265      0.014497
  C      -5.215223     -0.407060     -1.055290
  C      -5.263410      0.290081     -2.274551
  N      -4.669711      1.459550     -2.501478
  C      -3.982659      2.011051     -1.459215
  C      -3.353914      3.269603     -1.630526
  C      -2.692902      3.850411     -0.562947
  C      -2.669652      3.179996      0.672780
  N      -3.237172      1.993274      0.882277
  C      -3.875034      1.398151     -0.164570
  C      -3.252109      5.270342      5.251710
  C      -4.484303      5.669731      4.441157
  C      -4.154593      5.968469      2.977070
  O      -5.051000      5.323337      2.044145
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  C      -6.855557      6.859865      2.609956
  C      -8.203542      7.208641      2.380848
  N      -9.027904      6.583079      1.555253
  C      -8.510063      5.515394      0.874025
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  C      -8.805331      3.744801     -0.736031
  C      -7.465472      3.365574     -0.500001
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  C      -6.399686      2.363138      6.618955
  C      -6.989001      3.792432      6.628435
  C      -8.289290      3.912311      5.849312
  O      -8.050482      3.347925      4.543807
  C      -9.107095      3.151001      3.724086
  C     -10.309159      3.843185      3.787759
  C     -11.309104      3.555339      2.839665
  N     -11.212841      2.642080      1.880582
  C     -10.048305      1.930227      1.828287
  C      -9.895217      0.918662      0.848848
  C      -8.725036      0.181094      0.813509
  C      -7.710921      0.458297      1.747477
  N      -7.803197      1.406285      2.680804
  C      -8.950105      2.141939      2.723276
  H      -4.535212     -1.261525      5.043642
  H      -5.020312     -0.109207      3.789979
  H      -2.637640     -2.026093      3.502418
  H      -4.275994     -2.389847      2.946569
  H      -2.717567     -1.529319      1.135865
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  H      -5.722445     -1.365608     -0.937608
  H      -5.817179     -0.141853     -3.114652
  H      -3.424505      3.753830     -2.605587
  H      -2.207335      4.822607     -0.659541
  H      -2.180022      3.634934      1.539845
  H      -2.474092      6.049105      5.109184
  H      -3.524548      5.318799      6.328390
  H      -4.957313      6.536270      4.926451
  H      -5.223233      4.856073      4.481844
  H      -3.179666      5.532958      2.722988
  H      -4.128236      7.049182      2.764541
  H      -6.265924      7.447231      3.311495
  H      -8.619805      8.065344      2.922191
  H     -10.362229      5.142956     -0.171566
  H      -9.410430      3.180965     -1.446646
  H      -7.039577      2.509513     -1.032018
  H      -6.805613      1.786103      7.473050
  H      -6.732687      1.863661      5.700922
  H      -6.246642      4.466041      6.178021
  H      -7.166191      4.152234      7.654189
  H      -8.594632      4.967837      5.754728
  H      -9.112563      3.353206      6.326958
  H     -10.481434      4.617814      4.533469
  H     -12.244863      4.122653      2.874470
  H     -10.715068      0.747765      0.149435
  H      -8.573804     -0.605679      0.072968
  H      -6.779461     -0.113445      1.735601
  N      -5.050134      2.442272      3.256893
  H      -5.148558      3.405096      2.912824
  H      -6.021215      2.065017      3.258577
  H      -4.544229      1.983585      2.477237
102
Coordinates from ORCA-job orca E -6430.714349660183
  N      -3.201045      0.347412      4.732855
  Mo     -3.764739      2.235396      5.073521
  N      -4.940418      2.335648      6.627525
  C      -4.331816      2.437348      7.962996
  C      -3.032907      1.642964      7.964288
  N      -2.271139      1.944889      6.720269
  C      -1.405034      0.810119      6.307202
  C      -2.238647     -0.267208      5.640795
  C      -1.464882      3.189029      6.840535
  C      -1.347645      3.795182      5.441707
  N      -2.687870      3.969232      4.885614
  H      -1.553281     -0.964634      5.121626
  H      -2.770044     -0.879394      6.403051
  H      -0.679209      1.207382      5.584930
  H      -0.843175      0.407497      7.170717
  H      -0.799523      4.755128      5.492681
  H      -0.758553      3.127282      4.792176
  H      -2.010085      3.885142      7.493609
  H      -0.487196      2.973312      7.310080
  H      -5.001354      2.025727      8.741063
  H      -4.142021      3.493249      8.242184
  H      -3.276705      0.571446      7.944575
  H      -2.419070      1.842354      8.861185
  C      -4.153476     -0.632322      4.211916
  C      -3.571619     -1.564557      3.133763
  C      -3.261552     -0.864521      1.828352
  O      -4.537276     -0.525771      1.207455
  C      -4.512266      0.134648      0.013093
  C      -5.214847     -0.403925     -1.057519
  C      -5.262085      0.294448     -2.276071
  N      -4.667267      1.463604     -2.501741
  C      -3.980027      2.013451     -1.458691
  C      -3.350184      3.271607     -1.628613
  C      -2.688924      3.850846     -0.560287
  C      -2.666623      3.179204      0.674752
  N      -3.235269      1.992784      0.882979
  C      -3.873367      1.399145     -0.164611
  C      -3.246715      5.271640      5.249303
  C      -4.479228      5.672116      4.439793
  C      -4.150770      5.970092      2.975260
  O      -5.048103      5.324687      2.043347
  C      -6.315880      5.775277      1.933671
  C      -6.852474      6.860490      2.611542
  C      -8.201148      7.208219      2.384839
  N      -9.026658      6.581743      1.561099
  C      -8.509290      5.514306      0.879093
  C      -9.330205      4.813414     -0.036743
  C      -8.806275      3.742871     -0.729707
  C      -7.465477      3.365108     -0.496589
  N      -6.657667      3.989047      0.348130
  C      -7.161247      5.054868      1.025970
  C      -6.400602      2.366597      6.616570
  C      -6.990480      3.795573      6.624696
  C      -8.291549      3.913651      5.846569
  O      -8.052932      3.348460      4.541304
  C      -9.110198      3.148048      3.723280
  C     -10.313963      3.837219      3.788054
  C     -11.314314      3.546246      2.841376
  N     -11.216861      2.632752      1.882612
  C     -10.050608      1.923816      1.829320
  C      -9.896117      0.912112      0.850262
  C      -8.724221      0.177320      0.814107
  C      -7.709882      0.457295      1.747010
  N      -7.803346      1.405673      2.679825
  C      -8.951916      2.138720      2.722996
  H      -4.539980     -1.259129      5.042443
  H      -5.022611     -0.106440      3.788064
  H      -2.641971     -2.026252      3.502952
  H      -4.280308     -2.388270      2.945994
  H      -2.718132     -1.529617      1.136776
  H      -2.679394      0.052375      1.992220
  H      -5.722941     -1.362144     -0.940937
  H      -5.815964     -0.136252     -3.116735
  H      -3.420135      3.756771     -2.603251
  H      -2.202578      4.822760     -0.655804
  H      -2.176827      3.632861      1.542408
  H      -2.467519      6.048914      5.105147
  H      -3.517928      5.321619      6.326227
  H      -4.950690      6.539391      4.925268
  H      -5.218861      4.859156      4.481646
  H      -3.176132      5.534447      2.720325
  H      -4.124506      7.050716      2.762257
  H      -6.262021      7.448438      3.311910
  H      -8.617025      8.064811      2.926656
  H     -10.363373      5.139600     -0.162337
  H      -9.412427      3.178139     -1.438711
  H      -7.039766      2.509439     -1.029399
  H      -6.806528      1.790086      7.471013
  H      -6.733242      1.866461      5.698789
  H      -6.249178      4.468934      6.172157
  H      -7.166698      4.157039      7.650032
  H      -8.597838      4.968834      5.751236
  H      -9.113923      3.354096      6.325201
  H     -10.487253      4.611802      4.533574
  H     -12.251528      4.111112      2.877059
  H     -10.716296      0.738864      0.151803
  H      -8.571883     -0.609466      0.073807
  H      -6.777280     -0.112566      1.734769
  N      -5.050053      2.444436      3.255535
  H      -5.147367      3.407226      2.910928
  H      -6.021404      2.067907      3.257347
  H      -4.544532      1.985032      2.476061
102
Coordinates from ORCA-job orca E -6430.715059745316
  N      -3.222308      0.336930      4.735854
  Mo     -3.770823      2.227708      5.089620
  N      -4.955571      2.346233      6.635128
  C      -4.351339      2.445025      7.970639
  C      -3.061399      1.634977      7.978570
  N      -2.287606      1.928411      6.740875
  C      -1.435697      0.779572      6.330746
  C      -2.279448     -0.289055      5.656919
  C      -1.474267      3.168846      6.861540
  C      -1.344764      3.771817      5.460395
  N      -2.675524      3.951890      4.879588
  H      -1.597158     -0.994574      5.145171
  H      -2.827020     -0.893734      6.413818
  H      -0.700054      1.167402      5.613176
  H      -0.884646      0.371072      7.197768
  H      -0.792610      4.728842      5.513212
  H      -0.749352      3.099376      4.820828
  H      -2.019118      3.870042      7.509400
  H      -0.500848      2.948193      7.337383
  H      -5.029282      2.042860      8.745679
  H      -4.151030      3.499466      8.246651
  H      -3.317581      0.566443      7.957370
  H      -2.450118      1.827452      8.878218
  C      -4.163912     -0.629878      4.171840
  C      -3.570019     -1.544003      3.085148
  C      -3.252355     -0.819170      1.795285
  O      -4.525454     -0.461628      1.179830
  C      -4.494818      0.213414     -0.006710
  C      -5.219247     -0.300221     -1.075587
  C      -5.262355      0.409633     -2.287277
  N      -4.643190      1.566746     -2.508410
  C      -3.945691      2.098988     -1.462235
  C      -3.296573      3.347425     -1.625747
  C      -2.634110      3.915594     -0.550893
  C      -2.634878      3.244133      0.683698
  N      -3.219419      2.063229      0.885915
  C      -3.850067      1.475538     -0.171173
  C      -3.225836      5.263446      5.219745
  C      -4.453493      5.660067      4.402172
  C      -4.124670      5.920408      2.931379
  O      -5.034141      5.262766      2.020089
  C      -6.300099      5.719307      1.917247
  C      -6.820238      6.823258      2.577007
  C      -8.170071      7.174286      2.362203
  N      -9.012121      6.533368      1.566849
  C      -8.511119      5.447217      0.902342
  C      -9.349978      4.729154      0.016542
  C      -8.842288      3.640206     -0.659201
  C      -7.499327      3.261167     -0.439297
  N      -6.676144      3.900034      0.378599
  C      -7.163670      4.983523      1.039142
  C      -6.414848      2.402587      6.608319
  C      -6.980942      3.840617      6.599053
  C      -8.277487      3.969355      5.814500
  O      -8.042502      3.385070      4.516213
  C      -9.104837      3.169467      3.707519
  C     -10.308866      3.859021      3.769054
  C     -11.319081      3.544192      2.841068
  N     -11.233066      2.604789      1.906463
  C     -10.067325      1.894658      1.857875
  C      -9.928705      0.849841      0.912025
  C      -8.756753      0.114155      0.880826
  C      -7.728020      0.425100      1.787661
  N      -7.807545      1.402963      2.690701
  C      -8.956286      2.136702      2.729738
  H      -4.568932     -1.270113      4.982839
  H      -5.022461     -0.092894      3.742400
  H      -2.642369     -2.011264      3.452725
  H      -4.276394     -2.364860      2.877192
  H      -2.709964     -1.472470      1.091760
  H      -2.667122      0.092051      1.979581
  H      -5.739953     -1.252433     -0.965876
  H      -5.826379     -0.005799     -3.128906
  H      -3.354643      3.835864     -2.599435
  H      -2.132244      4.879989     -0.642174
  H      -2.148649      3.691141      1.556942
  H      -2.440263      6.033032      5.067680
  H      -3.502275      5.332374      6.295059
  H      -4.913368      6.543936      4.868784
  H      -5.203101      4.857586      4.462567
  H      -3.155594      5.468705      2.684327
  H      -4.088053      6.995499      2.693635
  H      -6.216542      7.422638      3.256126
  H      -8.572817      8.045562      2.890245
  H     -10.383355      5.057750     -0.100798
  H      -9.462440      3.062642     -1.345361
  H      -7.085472      2.392070     -0.959588
  H      -6.835867      1.838231      7.462443
  H      -6.748406      1.900960      5.691447
  H      -6.228319      4.496288      6.139705
  H      -7.153695      4.217810      7.619232
  H      -8.567372      5.027929      5.707552
  H      -9.109029      3.426255      6.296071
  H     -10.475425      4.649629      4.499190
  H     -12.256701      4.108540      2.873528
  H     -10.761254      0.651456      0.235250
  H      -8.615791     -0.696542      0.164607
  H      -6.793593     -0.142524      1.777065
  N      -5.043639      2.441095      3.268164
  H      -5.149522      3.406226      2.932446
  H      -6.008843      2.048862      3.258338
  H      -4.526401      1.994697      2.486550
102
Coordinates from ORCA-job orca E -6430.715289162211
  N      -3.216398      0.315455      4.743089
  Mo     -3.775329      2.200296      5.123180
  N      -4.963691      2.323502      6.664871
  C      -4.359870      2.425480      7.997194
  C      -3.065763      1.620449      8.002717
  N      -2.291491      1.919126      6.767148
  C      -1.438957      0.770288      6.353536
  C      -2.280004     -0.302988      5.676318
  C      -1.492096      3.169887      6.880688
  C      -1.365893      3.766479      5.474992
  N      -2.689493      3.935095      4.870241
  H      -1.591259     -1.006817      5.171107
  H      -2.829244     -0.908677      6.431359
  H      -0.704027      1.159497      5.635457
  H      -0.885904      0.365342      7.219877
  H      -0.820745      4.726977      5.525774
  H      -0.755636      3.096335      4.845740
  H      -2.046870      3.868335      7.523171
  H      -0.518189      2.962043      7.360620
  H      -5.037752      2.021494      8.770452
  H      -4.163504      3.480722      8.271349
  H      -3.315391      0.550584      7.980178
  H      -2.454820      1.816026      8.901371
  C      -4.128407     -0.660045      4.145909
  C      -3.514287     -1.549646      3.050566
  C      -3.229229     -0.801829      1.767065
  O      -4.519128     -0.454640      1.184914
  C      -4.516349      0.230264      0.003498
  C      -5.283277     -0.263859     -1.045152
  C      -5.349949      0.455414     -2.250121
  N      -4.716614      1.602760     -2.481213
  C      -3.991120      2.122610     -1.447440
  C      -3.330079      3.363136     -1.618612
  C      -2.648855      3.923956     -0.549907
  C      -2.645843      3.254133      0.685087
  N      -3.236761      2.076726      0.893479
  C      -3.877272      1.492642     -0.160912
  C      -3.239834      5.249455      5.197731
  C      -4.461815      5.658744      4.378653
  C      -4.124852      5.940629      2.913887
  O      -5.037150      5.306082      1.989441
  C      -6.296589      5.779870      1.880182
  C      -6.806397      6.895255      2.528742
  C      -8.150927      7.261220      2.304088
  N      -8.996533      6.625522      1.508342
  C      -8.505337      5.528251      0.855119
  C      -9.350413      4.807430     -0.022559
  C      -8.855619      3.700137     -0.677328
  C      -7.516752      3.310208     -0.450294
  N      -6.689358      3.949574      0.362418
  C      -7.165376      5.048233      1.004601
  C      -6.421597      2.394209      6.621108
  C      -6.977841      3.835165      6.603981
  C      -8.264597      3.965068      5.804573
  O      -8.018676      3.361632      4.517255
  C      -9.074190      3.139598      3.700486
  C     -10.264834      3.854407      3.725320
  C     -11.267378      3.535408      2.791174
  N     -11.185704      2.571781      1.881226
  C     -10.034411      1.836623      1.869561
  C      -9.900044      0.771983      0.946013
  C      -8.743588      0.010225      0.950784
  C      -7.724754      0.319051      1.869275
  N      -7.797863      1.319358      2.747766
  C      -8.932733      2.076651      2.753942
  H      -4.530267     -1.317984      4.943842
  H      -4.992857     -0.134241      3.717844
  H      -2.573285     -1.998158      3.407673
  H      -4.201782     -2.384697      2.836075
  H      -2.689014     -1.435030      1.043688
  H      -2.654849      0.116270      1.953991
  H      -5.808970     -1.212528     -0.929070
  H      -5.942446      0.054355     -3.079062
  H      -3.395980      3.853715     -2.590637
  H      -2.134883      4.881231     -0.648653
  H      -2.149340      3.697312      1.554105
  H      -2.450895      6.017029      5.049117
  H      -3.520675      5.324716      6.272699
  H      -4.919655      6.538981      4.854067
  H      -5.216574      4.860219      4.424362
  H      -3.158839      5.484439      2.666029
  H      -4.078222      7.018888      2.693665
  H      -6.199301      7.491202      3.207402
  H      -8.545451      8.140799      2.824357
  H     -10.380231      5.144718     -0.144969
  H      -9.484252      3.113020     -1.347818
  H      -7.113399      2.425597     -0.951776
  H      -6.853000      1.831058      7.469583
  H      -6.749969      1.894415      5.700068
  H      -6.216302      4.484552      6.151432
  H      -7.158912      4.217664      7.620660
  H      -8.545142      5.024693      5.685026
  H      -9.105334      3.432680      6.282244
  H     -10.423092      4.672430      4.426477
  H     -12.191717      4.121975      2.791904
  H     -10.721850      0.582128      0.254239
  H      -8.606626     -0.817427      0.253578
  H      -6.798568     -0.262788      1.880846
  N      -5.042764      2.388674      3.299010
  H      -5.164633      3.349269      2.959591
  H      -5.999718      1.977089      3.283636
  H      -4.511904      1.947047      2.521073
102
Coordinates from ORCA-job orca E -6430.715160165371
  N      -3.226900      0.328714      4.734238
  Mo     -3.774195      2.217794      5.117837
  N      -4.966950      2.355410      6.654573
  C      -4.364443      2.449412      7.988013
  C      -3.077519      1.633429      7.993920
  N      -2.296545      1.929190      6.761710
  C      -1.449752      0.777124      6.348837
  C      -2.295858     -0.291062      5.671948
  C      -1.491828      3.175365      6.872943
  C      -1.352308      3.763349      5.465558
  N      -2.670319      3.943641      4.850344
  H      -1.608893     -0.999026      5.169688
  H      -2.848307     -0.893194      6.427309
  H      -0.712687      1.161769      5.630468
  H      -0.899118      0.370768      7.216287
  H      -0.797783      4.718577      5.517627
  H      -0.741913      3.085590      4.844307
  H      -2.045816      3.879628      7.509756
  H      -0.520908      2.964571      7.357588
  H      -5.047136      2.049750      8.759764
  H      -4.158840      3.502237      8.264293
  H      -3.337177      0.566184      7.964823
  H      -2.467670      1.819460      8.895806
  C      -4.126978     -0.655461      4.134486
  C      -3.494614     -1.558038      3.060503
  C      -3.202624     -0.829218      1.767737
  O      -4.489839     -0.503856      1.168388
  C      -4.483374      0.193052     -0.005119
  C      -5.257260     -0.281802     -1.058105
  C      -5.310677      0.447523     -2.257540
  N      -4.660251      1.587651     -2.478992
  C      -3.927944      2.088084     -1.440471
  C      -3.247172      3.319347     -1.599819
  C      -2.559267      3.860405     -0.524579
  C      -2.567467      3.178991      0.703786
  N      -3.176281      2.009323      0.900751
  C      -3.825192      1.445660     -0.159357
  C      -3.199157      5.269305      5.164377
  C      -4.434852      5.673413      4.364350
  C      -4.121139      5.955707      2.894047
  O      -5.027649      5.298221      1.979672
  C      -6.304669      5.725911      1.894639
  C      -6.851594      6.804666      2.573771
  C      -8.212213      7.121124      2.369945
  N      -9.038334      6.474300      1.562932
  C      -8.509435      5.415456      0.876501
  C      -9.330246      4.688708     -0.019092
  C      -8.796377      3.621519     -0.708397
  C      -7.443301      3.274889     -0.495636
  N      -6.637333      3.922361      0.332139
  C      -7.151746      4.983213      1.006650
  C      -6.424618      2.426558      6.605678
  C      -6.986407      3.864776      6.603329
  C      -8.290041      3.994749      5.830702
  O      -8.066464      3.431360      4.521094
  C      -9.147266      3.182801      3.745866
  C     -10.369429      3.833747      3.857265
  C     -11.403243      3.494812      2.965888
  N     -11.319627      2.572948      2.013772
  C     -10.131717      1.906486      1.909820
  C      -9.987177      0.897947      0.926929
  C      -8.789261      0.209885      0.830312
  C      -7.741554      0.534128      1.710232
  N      -7.824276      1.482325      2.644101
  C      -8.999281      2.168637      2.748663
  H      -4.536162     -1.305520      4.935451
  H      -4.988226     -0.138514      3.690410
  H      -2.554666     -1.994991      3.434200
  H      -4.174676     -2.400462      2.852205
  H      -2.648566     -1.467241      1.059256
  H      -2.639292      0.097460      1.945041
  H      -5.796355     -1.223716     -0.949221
  H      -5.912265      0.064804     -3.088614
  H      -3.303994      3.819263     -2.567662
  H      -2.029664      4.809992     -0.614704
  H      -2.066724      3.606552      1.577930
  H      -2.407442      6.027951      4.986593
  H      -3.456596      5.366491      6.243602
  H      -4.888858      6.552668      4.844824
  H      -5.184541      4.871036      4.423679
  H      -3.148819      5.519358      2.636119
  H      -4.098994      7.033904      2.669707
  H      -6.262561      7.407279      3.262401
  H      -8.636442      7.971126      2.915456
  H     -10.372448      4.990377     -0.129223
  H      -9.405046      3.031528     -1.394343
  H      -7.008574      2.421821     -1.024384
  H      -6.855130      1.854061      7.449016
  H      -6.750536      1.934893      5.679660
  H      -6.237451      4.522261      6.141092
  H      -7.151172      4.241678      7.624872
  H      -8.587539      5.052969      5.744449
  H      -9.113642      3.439076      6.311571
  H     -10.530999      4.617286      4.596008
  H     -12.355947      4.029234      3.039096
  H     -10.833695      0.692240      0.270228
  H      -8.643279     -0.573718      0.085623
  H      -6.784300      0.009845      1.642129
  N      -5.039011      2.402491      3.290513
  H      -5.174024      3.363315      2.957639
  H      -5.989886      1.977508      3.268285
  H      -4.497625      1.977038      2.511609
102
Coordinates from ORCA-job orca E -6430.715619668135
  N      -3.273913      0.348646      4.711925
  Mo     -3.786452      2.245928      5.103118
  N      -4.973585      2.390492      6.644450
  C      -4.370544      2.471464      7.980614
  C      -3.096398      1.636706      7.982822
  N      -2.316411      1.918989      6.745898
  C      -1.489711      0.755868      6.327505
  C      -2.355008     -0.291232      5.649055
  C      -1.484719      3.146631      6.860848
  C      -1.331202      3.737343      5.457908
  N      -2.648740      3.947377      4.853085
  H      -1.682565     -1.013857      5.147480
  H      -2.920938     -0.881187      6.403874
  H      -0.747703      1.131832      5.610114
  H      -0.945765      0.332818      7.192373
  H      -0.756258      4.680982      5.513744
  H      -0.739536      3.049052      4.830997
  H      -2.025058      3.859485      7.500023
  H      -0.518817      2.913704      7.345697
  H      -5.058118      2.076005      8.751456
  H      -4.151122      3.520082      8.264244
  H      -3.372822      0.573571      7.956363
  H      -2.480546      1.813906      8.883182
  C      -4.189676     -0.620542      4.114267
  C      -3.558415     -1.531057      3.046612
  C      -3.238772     -0.808673      1.755663
  O      -4.511205     -0.454479      1.139727
  C      -4.475783      0.241145     -0.035552
  C      -5.208104     -0.245199     -1.112301
  C      -5.225945      0.478964     -2.316217
  N      -4.578714      1.624306     -2.520314
  C      -3.878590      2.131254     -1.463323
  C      -3.198562      3.365007     -1.608156
  C      -2.537438      3.908480     -0.518642
  C      -2.571417      3.227999      0.709837
  N      -3.184526      2.058760      0.895150
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  C      -9.355737      4.700424      0.048429
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  C      -7.501120      3.243450     -0.425524
  N      -6.674318      3.887272      0.384298
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  C      -6.430535      2.461079      6.603104
  C      -6.989909      3.899735      6.574523
  C      -8.293813      4.012537      5.799515
  O      -8.067660      3.412710      4.507180
  C      -9.141699      3.148918      3.728188
  C     -10.359669      3.812672      3.802783
  C     -11.384735      3.453049      2.908673
  N     -11.297581      2.497103      1.991117
  C     -10.113940      1.818322      1.924713
  C      -9.969125      0.768544      0.985634
  C      -8.776341      0.068661      0.928901
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  H      -4.614216     -1.264780      4.912718
  H      -5.040433     -0.090374      3.663156
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  H      -2.360724      6.028930      4.966656
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  H      -4.840614      6.573999      4.840660
  H      -5.156309      4.887119      4.460658
  H      -3.136351      5.466422      2.633858
  H      -4.063708      6.995232      2.642888
  H      -6.205661      7.408026      3.260536
  H      -8.570854      8.014599      2.923167
  H     -10.392130      5.023117     -0.059106
  H      -9.472676      3.033366     -1.311449
  H      -7.085972      2.378764     -0.951434
  H      -6.862096      1.903918      7.458074
  H      -6.758559      1.952302      5.688771
  H      -6.239976      4.547016      6.098257
  H      -7.152826      4.293996      7.589855
  H      -8.590405      5.068178      5.682692
  H      -9.117875      3.471448      6.296001
  H     -10.524553      4.620159      4.514532
  H     -12.334962      3.995251      2.952745
  H     -10.811959      0.540388      0.331304
  H      -8.630091     -0.746297      0.218562
  H      -6.786181     -0.121861      1.776108
  N      -5.050670      2.475340      3.276498
  H      -5.174380      3.443873      2.960608
  H      -6.009496      2.070017      3.250512
  H      -4.517941      2.056594      2.490317
102
Coordinates from ORCA-job orca E -6430.715523420386
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  Mo     -3.781489      2.218696      5.105308
  N      -4.975174      2.379602      6.640005
  C      -4.376250      2.477744      7.977254
  C      -3.098871      1.647500      7.993573
  N      -2.315222      1.916576      6.755987
  C      -1.483138      0.750599      6.354202
  C      -2.341250     -0.306532      5.683208
  C      -1.486100      3.146855      6.854952
  C      -1.328796      3.715671      5.443166
  N      -2.645332      3.919824      4.834133
  H      -1.664091     -1.031743      5.192228
  H      -2.908546     -0.890336      6.441845
  H      -0.739461      1.121393      5.636131
  H      -0.941708      0.338876      7.226090
  H      -0.753591      4.659820      5.487682
  H      -0.736441      3.018581      4.827066
  H      -2.028430      3.868777      7.482166
  H      -0.520318      2.922901      7.344767
  H      -5.064084      2.088841      8.750984
  H      -4.161462      3.530134      8.249428
  H      -3.373006      0.583499      7.977946
  H      -2.486786      1.836244      8.894027
  C      -4.163980     -0.658625      4.136646
  C      -3.527945     -1.551877      3.057810
  C      -3.231264     -0.813004      1.770267
  O      -4.516262     -0.468159      1.174455
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  C      -5.267495     -0.235795     -1.054569
  C      -5.326926      0.503058     -2.247837
  N      -4.697749      1.657392     -2.455599
  C      -3.976992      2.160572     -1.410760
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  C      -3.147902      5.257303      5.148305
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  C      -6.990868      3.885393      6.540079
  C      -8.283560      3.993629      5.745915
  O      -8.033103      3.387827      4.460439
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  C     -11.304362      3.452334      2.770998
  N     -11.204419      2.485523      1.866066
  C     -10.030564      1.787424      1.843252
  C      -9.877726      0.719552      0.926200
  C      -8.698013     -0.004052      0.918330
  C      -7.678498      0.340049      1.823480
  N      -7.770725      1.339099      2.701625
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  H      -4.578481     -1.312477      4.932615
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  H      -2.346367      5.999539      4.948430
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  H      -4.821857      6.564405      4.847587
  H      -5.151951      4.885613      4.443291
  H      -3.136266      5.485768      2.614668
  H      -4.054150      7.019440      2.656210
  H      -6.162686      7.490091      3.224148
  H      -8.523400      8.124750      2.908668
  H     -10.432489      5.099892      0.015386
  H      -9.558490      3.076033     -1.214496
  H      -7.170574      2.403618     -0.889001
  H      -6.870760      1.898555      7.444818
  H      -6.752390      1.930121      5.675690
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  H      -7.164225      4.291170      7.549153
  H      -8.576828      5.048950      5.617715
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  H     -10.474640      4.622931      4.390530
  H     -12.247730      4.008053      2.781915
  H     -10.705519      0.494856      0.251751
  H      -8.546373     -0.834088      0.226841
  H      -6.741785     -0.222307      1.833629
  N      -5.041706      2.408197      3.272871
  H      -5.171048      3.369389      2.937515
  H      -5.997153      1.994745      3.252402
  H      -4.504646      1.976666      2.496025
102
Coordinates from ORCA-job orca E -6430.715715818058
  N      -3.259278      0.321690      4.741498
  Mo     -3.772720      2.222928      5.107554
  N      -4.971672      2.394754      6.636492
  C      -4.377664      2.492649      7.975506
  C      -3.104382      1.656123      7.998615
  N      -2.315091      1.918828      6.763644
  C      -1.488300      0.745858      6.369367
  C      -2.350127     -0.308706      5.695997
  C      -1.482660      3.147752      6.863466
  C      -1.315905      3.712420      5.450803
  N      -2.627448      3.918417      4.830847
  H      -1.674892     -1.039235      5.210409
  H      -2.924408     -0.888629      6.452543
  H      -0.738475      1.108862      5.653557
  H      -0.952960      0.333996      7.244379
  H      -0.737009      4.653978      5.496519
  H      -0.720654      3.012431      4.840607
  H      -2.026582      3.873289      7.485141
  H      -0.520526      2.923202      7.360359
  H      -5.070776      2.109784      8.746687
  H      -4.158536      3.544308      8.245773
  H      -3.382516      0.593145      7.983662
  H      -2.494734      1.844247      8.900337
  C      -4.163822     -0.651938      4.132223
  C      -3.529163     -1.542061      3.049688
  C      -3.224545     -0.796870      1.768101
  O      -4.505016     -0.440014      1.170658
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  C      -5.262638     -0.188965     -1.053331
  C      -5.318949      0.555484     -2.243107
  N      -4.673126      1.700502     -2.450386
  C      -3.941457      2.189984     -1.407020
  C      -3.263058      3.424465     -1.555050
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  C      -2.573736      3.259088      0.743167
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  C      -3.122543      5.261826      5.125878
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  H      -4.584798     -1.308203      4.922231
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  H      -2.319477      5.999011      4.912091
  H      -3.352775      5.389151      6.207136
  H      -4.802378      6.561658      4.816878
  H      -5.124396      4.878890      4.421702
  H      -3.109235      5.480682      2.592350
  H      -4.038114      7.008497      2.625370
  H      -6.172657      7.426180      3.241597
  H      -8.543591      8.026051      2.933960
  H     -10.391711      5.034330     -0.032030
  H      -9.481914      3.047532     -1.296579
  H      -7.086626      2.405594     -0.973026
  H      -6.867257      1.915322      7.436640
  H      -6.748873      1.944238      5.667012
  H      -6.245899      4.542324      6.045186
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  H     -10.825669      0.500715      0.311272
  H      -8.646645     -0.792810      0.204006
  H      -6.801166     -0.168134      1.759105
  N      -5.025177      2.406148      3.268302
  H      -5.155294      3.366069      2.929606
  H      -5.979943      1.990236      3.243580
  H      -4.481061      1.971915      2.496745
102
Coordinates from ORCA-job orca E -6430.715318581144
  N      -3.330343      0.357697      4.701726
  Mo     -3.807451      2.264146      5.095334
  N      -4.986646      2.443553      6.638885
  C      -4.376189      2.523044      7.970907
  C      -3.117761      1.664235      7.973715
  N      -2.337369      1.920646      6.732321
  C      -1.539235      0.734119      6.320601
  C      -2.430360     -0.296923      5.648948
  C      -1.482007      3.133819      6.830358
  C      -1.319484      3.705492      5.419607
  N      -2.631910      3.938787      4.809552
  H      -1.774768     -1.039408      5.154511
  H      -3.012715     -0.867489      6.406177
  H      -0.789589      1.087159      5.599622
  H      -1.004319      0.305270      7.187535
  H      -0.723897      4.636461      5.466287
  H      -0.741440      2.999187      4.800089
  H      -2.006219      3.864482      7.462797
  H      -0.518568      2.889148      7.314864
  H      -5.066740      2.145473      8.747166
  H      -4.137098      3.569158      8.245654
  H      -3.415655      0.606703      7.954529
  H      -2.494794      1.834938      8.869837
  C      -4.242676     -0.601688      4.079996
  C      -3.599953     -1.527319      3.031029
  C      -3.243578     -0.824611      1.739006
  O      -4.494796     -0.474633      1.079440
  C      -4.418848      0.225749     -0.090358
  C      -5.140797     -0.237095     -1.184969
  C      -5.122493      0.497628     -2.382261
  N      -4.451900      1.633583     -2.563501
  C      -3.766622      2.120072     -1.487096
  C      -3.072876      3.349594     -1.601309
  C      -2.434563      3.876434     -0.488866
  C      -2.500199      3.180476      0.728989
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  N      -9.048456      6.454308      1.696504
  C      -8.536725      5.394551      0.998317
  C      -9.383623      4.655252      0.137854
  C      -8.867074      3.586612     -0.562081
  C      -7.504119      3.251905     -0.396443
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  C      -6.444223      2.515861      6.598872
  C      -7.009103      3.950888      6.561113
  C      -8.320966      4.044458      5.798633
  O      -8.097070      3.440802      4.507029
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  H      -2.042355      3.595832      1.632104
  H      -2.294926      6.016419      4.889015
  H      -3.317927      5.416579      6.198227
  H      -4.775979      6.603487      4.831005
  H      -5.117619      4.923464      4.442440
  H      -3.123530      5.522424      2.579204
  H      -4.064106      7.041944      2.622246
  H      -6.221440      7.414673      3.294098
  H      -8.609596      7.962705      3.024188
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  H      -9.495887      2.986514     -1.220667
  H      -7.081172      2.398911     -0.934694
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  H      -8.630970      5.095940      5.678963
  H      -9.133520      3.495162      6.304715
  H     -10.587914      4.566167      4.561192
  H     -12.412198      3.875505      3.043479
  H     -10.821686      0.495866      0.367840
  H      -8.601056     -0.719340      0.206564
  H      -6.752255     -0.052450      1.740885
  N      -5.080776      2.490354      3.278964
  H      -5.195644      3.456375      2.952275
  H      -6.043147      2.093150      3.263669
  H      -4.554268      2.057811      2.494121
102
Coordinates from ORCA-job orca E -6430.715895493154
  N      -3.297662      0.332581      4.720824
  Mo     -3.791825      2.237166      5.097220
  N      -4.978186      2.416561      6.635481
  C      -4.374599      2.507291      7.970887
  C      -3.109150      1.658948      7.984270
  N      -2.326878      1.914155      6.743186
  C      -1.515196      0.733505      6.341433
  C      -2.393212     -0.309167      5.672598
  C      -1.480513      3.133658      6.837909
  C      -1.315816      3.697828      5.424963
  N      -2.628770      3.918705      4.812992
  H      -1.729773     -1.048777      5.184438
  H      -2.972573     -0.880451      6.431584
  H      -0.766497      1.090275      5.621441
  H      -0.979306      0.313536      7.212455
  H      -0.726646      4.633297      5.468524
  H      -0.732200      2.992061      4.810331
  H      -2.012793      3.864324      7.463660
  H      -0.517634      2.898679      7.328429
  H      -5.065770      2.128600      8.746337
  H      -4.144748      3.556616      8.241885
  H      -3.397971      0.598779      7.971282
  H      -2.490862      1.840873      8.881595
  C      -4.206199     -0.634911      4.107898
  C      -3.566841     -1.538225      3.038773
  C      -3.238967     -0.808866      1.753947
  O      -4.506836     -0.445845      1.133792
  C      -4.468914      0.274570     -0.025904
  C      -5.214512     -0.181827     -1.106908
  C      -5.237395      0.568318     -2.294480
  N      -4.581654      1.711658     -2.480445
  C      -3.870216      2.190880     -1.418303
  C      -3.182127      3.422520     -1.542711
  C      -2.508377      3.938704     -0.447529
  C      -2.538922      3.233833      0.767154
  N      -3.160377      2.066023      0.932870
  C      -3.796739      1.525736     -0.146550
  C      -3.111857      5.265501      5.114406
  C      -4.361798      5.680163      4.342000
  C      -4.084446      5.934003      2.858114
  O      -5.021159      5.275307      1.976402
  C      -6.289328      5.728573      1.907213
  C      -6.796685      6.835093      2.571804
  C      -8.154566      7.176780      2.391277
  N      -9.013840      6.527380      1.622138
  C      -8.524732      5.439918      0.950804
  C      -9.382639      4.709742      0.093521
  C      -8.887798      3.616907     -0.584686
  C      -7.537121      3.246284     -0.396616
  N      -6.696955      3.897219      0.393456
  C      -7.172813      4.983436      1.056534
  C      -6.435500      2.489172      6.589592
  C      -6.994268      3.926747      6.536216
  C      -8.299732      4.024521      5.762608
  O      -8.070583      3.412212      4.476203
  C      -9.145131      3.121332      3.707258
  C     -10.371270      3.770394      3.779623
  C     -11.396709      3.385641      2.896834
  N     -11.302184      2.418556      1.991480
  C     -10.110605      1.753708      1.928446
  C      -9.958146      0.692821      1.003092
  C      -8.757688      0.005696      0.950520
  C      -7.717317      0.378480      1.820126
  N      -7.809262      1.372024      2.704484
  C      -8.984976      2.061980      2.761021
  H      -4.640387     -1.283600      4.897036
  H      -5.051351     -0.101212      3.650974
  H      -2.638310     -1.987365      3.425943
  H      -4.252702     -2.372872      2.817675
  H      -2.692271     -1.458306      1.049937
  H      -2.652083      0.099544      1.945252
  H      -5.759092     -1.123501     -1.027497
  H      -5.818545      0.200507     -3.146598
  H      -3.219790      3.940827     -2.501804
  H      -1.972641      4.887046     -0.510684
  H      -2.045981      3.638981      1.656768
  H      -2.306703      5.997471      4.891340
  H      -3.330240      5.393872      6.197814
  H      -4.787199      6.574242      4.821383
  H      -5.123630      4.892488      4.435755
  H      -3.124541      5.481855      2.580359
  H      -4.054342      7.008355      2.615904
  H      -6.177918      7.441964      3.230319
  H      -8.547232      8.049447      2.924624
  H     -10.420571      5.031839      0.000323
  H      -9.523560      3.028472     -1.246794
  H      -7.131608      2.374434     -0.918500
  H      -6.870486      1.946313      7.451226
  H      -6.761611      1.966749      5.681432
  H      -6.247546      4.565304      6.043928
  H      -7.153287      4.341740      7.543916
  H      -8.601207      5.077446      5.633667
  H      -9.120498      3.484987      6.265992
  H     -10.541112      4.586618      4.480084
  H     -12.353829      3.915611      2.939686
  H     -10.801971      0.445707      0.356996
  H      -8.605098     -0.817050      0.250615
  H      -6.762466     -0.152827      1.792174
  N      -5.057742      2.440056      3.270036
  H      -5.193232      3.404023      2.944722
  H      -6.011146      2.021397      3.246978
  H      -4.517666      2.019869      2.489198
102
Coordinates from ORCA-job orca E -6430.715711901230
  N      -3.278619      0.330239      4.730427
  Mo     -3.772331      2.238035      5.088585
  N      -4.971183      2.430178      6.615547
  C      -4.377999      2.530696      7.955094
  C      -3.112423      1.682319      7.984793
  N      -2.320748      1.926607      6.747259
  C      -1.506668      0.742528      6.360019
  C      -2.380410     -0.304582      5.692838
  C      -1.473560      3.145882      6.837446
  C      -1.296847      3.697132      5.420932
  N      -2.604877      3.915763      4.797972
  H      -1.714692     -1.048895      5.215066
  H      -2.965144     -0.869325      6.452607
  H      -0.753084      1.093634      5.642337
  H      -0.976744      0.328848      7.237652
  H      -0.705942      4.631656      5.461451
  H      -0.709998      2.985241      4.816471
  H      -2.009796      3.882846      7.452407
  H      -0.514881      2.914248      7.337722
  H      -5.075281      2.157849      8.727818
  H      -4.150283      3.581944      8.220229
  H      -3.401222      0.622108      7.978324
  H      -2.500729      1.871628      8.885089
  C      -4.187423     -0.640768      4.124428
  C      -3.555202     -1.540933      3.049244
  C      -3.239104     -0.804397      1.765750
  O      -4.512762     -0.424567      1.168017
  C      -4.486909      0.306800      0.015030
  C      -5.263706     -0.125878     -1.053656
  C      -5.298620      0.635725     -2.233620
  N      -4.625054      1.767796     -2.424084
  C      -3.880985      2.223275     -1.374142
  C      -3.169136      3.440800     -1.504752
  C      -2.458583      3.932784     -0.421871
  C      -2.477350      3.219307      0.788194
  N      -3.121485      2.064512      0.959447
  C      -3.792920      1.546126     -0.109578
  C      -3.085591      5.265635      5.089708
  C      -4.338983      5.678122      4.321183
  C      -4.070569      5.932796      2.835672
  O      -5.013768      5.274387      1.960613
  C      -6.286487      5.718128      1.915294
  C      -6.793155      6.809457      2.605037
  C      -8.157970      7.138133      2.455524
  N      -9.025057      6.488679      1.695366
  C      -8.537234      5.415902      1.000009
  C      -9.405430      4.684159      0.154583
  C      -8.912920      3.604862     -0.546404
  C      -7.553363      3.250632     -0.394594
  N      -6.703981      3.901545      0.385818
  C      -7.178154      4.974126      1.071986
  C      -6.429066      2.491213      6.557629
  C      -6.998822      3.923804      6.490410
  C      -8.306777      4.007327      5.718819
  O      -8.081468      3.384264      4.436791
  C      -9.158937      3.100650      3.668953
  C     -10.375018      3.769260      3.734305
  C     -11.402111      3.400474      2.846822
  N     -11.317610      2.433216      1.940729
  C     -10.137117      1.748286      1.885229
  C      -9.995060      0.689745      0.955438
  C      -8.806556     -0.018366      0.909763
  C      -7.767642      0.331404      1.790407
  N      -7.849240      1.323629      2.677573
  C      -9.012373      2.035315      2.726691
  H      -4.616247     -1.290033      4.916084
  H      -5.036156     -0.108647      3.672757
  H      -2.623786     -1.992127      3.426916
  H      -4.243495     -2.374135      2.830087
  H      -2.707539     -1.452341      1.048825
  H      -2.642724      0.097900      1.956071
  H      -5.824219     -1.057836     -0.970409
  H      -5.905412      0.287097     -3.075859
  H      -3.216626      3.967208     -2.458992
  H      -1.901745      4.868537     -0.491201
  H      -1.954214      3.605797      1.668963
  H      -2.280528      5.995049      4.857778
  H      -3.298409      5.402432      6.173169
  H      -4.763103      6.572222      4.801719
  H      -5.099925      4.889928      4.419137
  H      -3.112028      5.482456      2.550935
  H      -4.044328      7.007362      2.594270
  H      -6.168919      7.412729      3.261762
  H      -8.549936      7.998445      3.009050
  H     -10.449393      4.993440      0.089521
  H      -9.556938      3.013916     -1.198368
  H      -7.150161      2.388301     -0.933600
  H      -6.866138      1.951594      7.420218
  H      -6.744633      1.959445      5.650784
  H      -6.257165      4.562921      5.991692
  H      -7.159140      4.347197      7.494404
  H      -8.612775      5.057856      5.581110
  H      -9.124360      3.470102      6.229816
  H     -10.534257      4.590667      4.431238
  H     -12.349950      3.947341      2.883053
  H     -10.836724      0.462167      0.299508
  H      -8.662098     -0.839832      0.206623
  H      -6.820738     -0.214796      1.765412
  N      -5.022233      2.421812      3.248893
  H      -5.142875      3.379986      2.902718
  H      -5.981842      2.016436      3.227386
  H      -4.481442      1.977097      2.482065
102
Coordinates from ORCA-job orca E -6430.715920523976
  N      -3.308099      0.328692      4.728402
  Mo     -3.791052      2.237806      5.095043
  N      -4.974829      2.433597      6.633284
  C      -4.370154      2.528307      7.968076
  C      -3.109391      1.672909      7.985324
  N      -2.327611      1.915576      6.741244
  C      -1.522900      0.727678      6.346434
  C      -2.407606     -0.313366      5.683958
  C      -1.474471      3.131183      6.827256
  C      -1.304827      3.683509      5.410396
  N      -2.615883      3.908352      4.795482
  H      -1.749392     -1.060385      5.199986
  H      -2.990478     -0.876554      6.446283
  H      -0.772744      1.075638      5.623656
  H      -0.988757      0.309725      7.219425
  H      -0.709091      4.615056      5.447942
  H      -0.725055      2.969623      4.801482
  H      -2.003589      3.869705      7.446509
  H      -0.513577      2.895047      7.321185
  H      -5.063082      2.158205      8.745920
  H      -4.134044      3.577671      8.233051
  H      -3.403825      0.614240      7.979331
  H      -2.488648      1.857364      8.880365
  C      -4.216252     -0.637671      4.113435
  C      -3.576012     -1.537129      3.041668
  C      -3.243838     -0.802455      1.760847
  O      -4.508977     -0.430557      1.140370
  C      -4.468747      0.299944     -0.012862
  C      -5.217470     -0.144133     -1.096907
  C      -5.238570      0.615818     -2.278221
  N      -4.578742      1.758220     -2.455330
  C      -3.864347      2.225587     -1.390231
  C      -3.173095      3.456738     -1.504476
  C      -2.496822      3.961885     -0.405732
  C      -2.527516      3.246672      0.803099
  N      -3.152375      2.079198      0.958852
  C      -3.790875      1.549317     -0.124354
  C      -3.085698      5.263382      5.079383
  C      -4.339504      5.676021      4.312241
  C      -4.071605      5.922474      2.825285
  O      -5.015244      5.261047      1.953107
  C      -6.285841      5.709385      1.899029
  C      -6.792326      6.806380      2.579808
  C      -8.154342      7.141094      2.417878
  N      -9.018123      6.493595      1.652290
  C      -8.529914      5.415744      0.965072
  C      -9.393524      4.687424      0.112058
  C      -8.900277      3.603251     -0.580884
  C      -7.545000      3.240024     -0.412423
  N      -6.699713      3.888423      0.374393
  C      -7.174320      4.966242      1.051840
  C      -6.432706      2.500932      6.587571
  C      -6.998079      3.935280      6.525399
  C      -8.305845      4.021163      5.754935
  O      -8.076606      3.402478      4.471586
  C      -9.151013      3.110219      3.703200
  C     -10.375267      3.763298      3.772104
  C     -11.399444      3.382801      2.886133
  N     -11.304797      2.417402      1.979001
  C     -10.115594      1.747936      1.919918
  C      -9.963074      0.690219      0.990845
  C      -8.765743     -0.002476      0.942131
  C      -7.728485      0.361406      1.819298
  N      -7.819847      1.353096      2.705849
  C      -8.992257      2.049181      2.758236
  H      -4.651147     -1.288567      4.900277
  H      -5.061129     -0.103043      3.657440
  H      -2.649054     -1.989372      3.429030
  H      -4.262561     -2.369883      2.815212
  H      -2.699364     -1.451051      1.054274
  H      -2.653059      0.102284      1.956854
  H      -5.765720     -1.084247     -1.024465
  H      -5.822157      0.257572     -3.132748
  H      -3.210756      3.983574     -2.458914
  H      -1.958452      4.909285     -0.461629
  H      -2.033051      3.642893      1.696044
  H      -2.277394      5.985764      4.836627
  H      -3.291742      5.410495      6.162787
  H      -4.760887      6.573328      4.789175
  H      -5.101823      4.889875      4.414949
  H      -3.113950      5.468994      2.542349
  H      -4.043551      6.995717      2.578190
  H      -6.170073      7.409807      3.238242
  H      -8.546406      8.005840      2.964395
  H     -10.434577      5.003513      0.034441
  H      -9.540484      3.015786     -1.239634
  H      -7.141222      2.373604     -0.944445
  H      -6.865855      1.961908      7.452415
  H      -6.756935      1.971448      5.682388
  H      -6.256108      4.573721      6.026383
  H      -7.155930      4.356972      7.530524
  H      -8.613301      5.071714      5.620522
  H      -9.122734      3.480572      6.263522
  H     -10.543658      4.581088      4.471128
  H     -12.354377      3.916961      2.925705
  H     -10.804502      0.449940      0.339115
  H      -8.613353     -0.823522      0.240146
  H      -6.775884     -0.174428      1.793610
  N      -5.061719      2.427902      3.269232
  H      -5.191502      3.387937      2.930908
  H      -6.018601      2.017316      3.255223
  H      -4.525409      1.991504      2.494631
102
Coordinates from ORCA-job orca E -6430.715827767200
  N      -3.294512      0.325349      4.724281
  Mo     -3.789284      2.230908      5.091234
  N      -4.976303      2.422126      6.627633
  C      -4.372311      2.521956      7.961895
  C      -3.106926      1.673082      7.981945
  N      -2.324164      1.917731      6.739269
  C      -1.514541      0.732066      6.345916
  C      -2.394530     -0.313022      5.683049
  C      -1.476178      3.137121      6.823244
  C      -1.311654      3.690622      5.405407
  N      -2.623775      3.908319      4.790428
  H      -1.733200     -1.058562      5.201433
  H      -2.978206     -0.876171      6.444734
  H      -0.764832      1.082595      5.624072
  H      -0.980344      0.317021      7.220118
  H      -0.722271      4.626187      5.442836
  H      -0.727907      2.980756      4.795668
  H      -2.006230      3.873447      7.444242
  H      -0.512670      2.905177      7.314160
  H      -5.063363      2.149257      8.740068
  H      -4.142319      3.573153      8.224944
  H      -3.396652      0.613072      7.976798
  H      -2.488578      1.861287      8.877717
  C      -4.200275     -0.644232      4.109479
  C      -3.560133     -1.548903      3.041929
  C      -3.227073     -0.821463      1.757377
  O      -4.491217     -0.448931      1.134604
  C      -4.445648      0.279159     -0.019931
  C      -5.198623     -0.160194     -1.102956
  C      -5.215321      0.599149     -2.284794
  N      -4.546593      1.735987     -2.464012
  C      -3.829075      2.199805     -1.399125
  C      -3.129601      3.425914     -1.514343
  C      -2.450256      3.927514     -0.415552
  C      -2.486270      3.213437      0.793563
  N      -3.119469      2.050740      0.950364
  C      -3.761229      1.524224     -0.132649
  C      -3.109026      5.253730      5.096593
  C      -4.362699      5.673121      4.332104
  C      -4.097377      5.931739      2.846816
  O      -5.042850      5.276962      1.971117
  C      -6.307826      5.740411      1.906817
  C      -6.802319      6.854178      2.569066
  C      -8.157798      7.207643      2.393152
  N      -9.026133      6.563817      1.629644
  C      -8.549805      5.469449      0.960324
  C      -9.417652      4.745009      0.108278
  C      -8.936210      3.644113     -0.566473
  C      -7.589162      3.259715     -0.380092
  N      -6.740052      3.904999      0.405112
  C      -7.202321      4.999647      1.063728
  C      -6.433979      2.494015      6.580054
  C      -6.992261      3.931286      6.515478
  C      -8.299056      4.025157      5.743333
  O      -8.074829      3.406306      4.458741
  C      -9.154705      3.108692      3.699155
  C     -10.382483      3.753808      3.780779
  C     -11.415171      3.362232      2.909874
  N     -11.325782      2.392515      2.006615
  C     -10.132376      1.732179      1.933906
  C      -9.984608      0.669965      1.009297
  C      -8.781428     -0.011693      0.945371
  C      -7.733957      0.367364      1.803491
  N      -7.821613      1.362357      2.686864
  C      -8.999714      2.047239      2.754581
  H      -4.636387     -1.292105      4.898036
  H      -5.044197     -0.111122      3.650067
  H      -2.632636     -1.999144      3.430538
  H      -4.246763     -2.382884      2.820533
  H      -2.684567     -1.475249      1.054099
  H      -2.634469      0.082968      1.949266
  H      -5.753562     -1.096303     -1.029630
  H      -5.800411      0.242914     -3.139143
  H      -3.163957      3.952178     -2.469186
  H      -1.907213      4.872213     -0.471230
  H      -1.990018      3.606765      1.686782
  H      -2.305098      5.987407      4.874538
  H      -3.324971      5.377528      6.181065
  H      -4.780896      6.567420      4.817514
  H      -5.126820      4.888100      4.429656
  H      -3.140299      5.480572      2.558553
  H      -4.069544      7.006794      2.607621
  H      -6.175207      7.458272      3.222089
  H      -8.539983      8.086116      2.924574
  H     -10.452545      5.077116      0.017121
  H      -9.580076      3.059458     -1.224162
  H      -7.194779      2.380387     -0.897960
  H      -6.868625      1.958112      7.445736
  H      -6.760241      1.964874      5.675543
  H      -6.245866      4.565427      6.016933
  H      -7.149619      4.355171      7.519726
  H      -8.599653      5.077717      5.609585
  H      -9.119163      3.489167      6.251437
  H     -10.547988      4.571787      4.480242
  H     -12.373821      3.888691      2.960469
  H     -10.833929      0.418065      0.372396
  H      -8.632040     -0.834232      0.244562
  H      -6.775917     -0.158236      1.764624
  N      -5.053636      2.417784      3.264777
  H      -5.196758      3.379012      2.934208
  H      -6.002786      1.988659      3.241035
  H      -4.506194      1.998592      2.488598
102
Coordinates from ORCA-job orca E -6430.715921173652
  N      -3.311993      0.330799      4.714384
  Mo     -3.791545      2.240121      5.084217
  N      -4.972770      2.437373      6.624535
  C      -4.365640      2.531527      7.958083
  C      -3.105628      1.674716      7.973793
  N      -2.325884      1.915123      6.728134
  C      -1.524508      0.725534      6.331080
  C      -2.413203     -0.313029      5.670666
  C      -1.469923      3.128966      6.811630
  C      -1.302485      3.681731      5.394458
  N      -2.613997      3.907926      4.781280
  H      -1.758519     -1.063440      5.187311
  H      -2.998260     -0.872005      6.434290
  H      -0.775421      1.072443      5.606790
  H      -0.989846      0.305983      7.202981
  H      -0.706415      4.613128      5.431477
  H      -0.724496      2.967802      4.783931
  H      -1.995835      3.868340      7.432617
  H      -0.508152      2.890898      7.302873
  H      -5.057666      2.161907      8.737083
  H      -4.128368      3.580799      8.222678
  H      -3.401370      0.616400      7.969802
  H      -2.482903      1.859516      8.867401
  C      -4.223512     -0.635229      4.103272
  C      -3.588076     -1.541883      3.034570
  C      -3.253158     -0.814765      1.750550
  O      -4.515720     -0.430714      1.132155
  C      -4.465318      0.309878     -0.014225
  C      -5.215398     -0.113138     -1.105576
  C      -5.224356      0.661924     -2.277501
  N      -4.552114      1.799638     -2.438321
  C      -3.835630      2.245781     -1.365368
  C      -3.130985      3.470862     -1.460645
  C      -2.451487      3.952694     -0.353202
  C      -2.491177      3.219784      0.844646
  N      -3.129555      2.057790      0.982475
  C      -3.773070      1.551873     -0.108825
  C      -3.088787      5.259192      5.077339
  C      -4.345382      5.673688      4.315552
  C      -4.084627      5.923311      2.827765
  O      -5.027384      5.256994      1.958304
  C      -6.296752      5.707851      1.895128
  C      -6.802172      6.817016      2.556918
  C      -8.161822      7.155199      2.383029
  N      -9.024412      6.500404      1.622238
  C      -8.537193      5.410457      0.953562
  C      -9.398810      4.674505      0.105073
  C      -8.906293      3.578557     -0.569694
  C      -7.554231      3.210498     -0.386551
  N      -6.710583      3.866579      0.395584
  C      -7.184135      4.956372      1.054344
  C      -6.430385      2.508705      6.581532
  C      -6.990894      3.944961      6.516523
  C      -8.300437      4.032602      5.748887
  O      -8.077271      3.407648      4.467498
  C      -9.155782      3.110127      3.706480
  C     -10.381555      3.759891      3.780742
  C     -11.411147      3.370733      2.905000
  N     -11.320342      2.399652      2.003407
  C     -10.129124      1.734451      1.938457
  C      -9.979779      0.671821      1.014481
  C      -8.779163     -0.014818      0.958449
  C      -7.735790      0.359528      1.823747
  N      -7.824935      1.354626      2.706785
  C      -9.000224      2.045219      2.765783
  H      -4.659421     -1.281906      4.892987
  H      -5.067437     -0.099905      3.646446
  H      -2.662046     -1.995832      3.422419
  H      -4.278083     -2.373125      2.813373
  H      -2.717251     -1.470783      1.044310
  H      -2.652893      0.084510      1.943096
  H      -5.774953     -1.047492     -1.046311
  H      -5.809400      0.320678     -3.137978
  H      -3.161349      4.011896     -2.407359
  H      -1.904189      4.895740     -0.393428
  H      -1.994477      3.596367      1.744713
  H      -2.283118      5.986437      4.840787
  H      -3.295888      5.395619      6.161922
  H      -4.764132      6.569799      4.797025
  H      -5.107971      4.887894      4.419891
  H      -3.125832      5.475081      2.540607
  H      -4.062350      6.996837      2.581098
  H      -6.180546      7.428442      3.208350
  H      -8.552878      8.029832      2.914345
  H     -10.437762      4.994440      0.016204
  H      -9.544946      2.985477     -1.224868
  H      -7.150950      2.335178     -0.904254
  H      -6.863002      1.973304      7.448961
  H      -6.758373      1.977661      5.678822
  H      -6.247425      4.579393      6.013997
  H      -7.145170      4.369775      7.520849
  H      -8.604584      5.083601      5.610866
  H      -9.117514      3.496794      6.262155
  H     -10.547283      4.580537      4.476972
  H     -12.367835      3.901368      2.948972
  H     -10.825991      0.423395      0.372073
  H      -8.629002     -0.838735      0.259360
  H      -6.780644     -0.171371      1.792088
  N      -5.062122      2.437269      3.261483
  H      -5.199170      3.399270      2.931479
  H      -6.015213      2.017642      3.241807
  H      -4.520364      2.013721      2.484260
102
Coordinates from ORCA-job orca E -6430.715703509590
  N      -3.320864      0.326754      4.744927
  Mo     -3.793186      2.240659      5.095865
  N      -4.978215      2.454637      6.630722
  C      -4.375148      2.555645      7.966107
  C      -3.120242      1.691661      7.992000
  N      -2.334952      1.919577      6.747166
  C      -1.536642      0.723330      6.363712
  C      -2.426518     -0.316334      5.705755
  C      -1.474109      3.130329      6.825847
  C      -1.295701      3.669276      5.405095
  N      -2.603669      3.898837      4.785222
  H      -1.772752     -1.070618      5.227230
  H      -3.014594     -0.871562      6.469955
  H      -0.782582      1.060929      5.640069
  H      -1.007109      0.308422      7.240857
  H      -0.692760      4.596340      5.437432
  H      -0.719197      2.946550      4.803559
  H      -2.000148      3.877988      7.436756
  H      -0.516389      2.892507      7.325281
  H      -5.071652      2.197089      8.745858
  H      -4.131776      3.605239      8.222778
  H      -3.421865      0.634997      7.992729
  H      -2.499613      1.878377      8.886533
  C      -4.228882     -0.636421      4.124927
  C      -3.589096     -1.531369      3.049351
  C      -3.247778     -0.790740      1.774165
  O      -4.508855     -0.406915      1.151841
  C      -4.470140      0.323843     -0.001215
  C      -5.233178     -0.116247     -1.077071
  C      -5.259077      0.639145     -2.260888
  N      -4.589226      1.773553     -2.449779
  C      -3.861182      2.238688     -1.393532
  C      -3.157791      3.461947     -1.521483
  C      -2.465842      3.966997     -0.432837
  C      -2.495705      3.261883      0.782225
  N      -3.132838      2.102300      0.950547
  C      -3.783045      1.568816     -0.124172
  C      -3.057300      5.262710      5.050931
  C      -4.310645      5.679020      4.285193
  C      -4.046059      5.924317      2.797531
  O      -4.996926      5.266719      1.930387
  C      -6.269642      5.710475      1.901099
  C      -6.771306      6.787714      2.615768
  C      -8.138716      7.114695      2.487051
  N      -9.012692      6.474538      1.727085
  C      -8.529828      5.415354      1.007852
  C      -9.405701      4.695499      0.160314
  C      -8.917296      3.632385     -0.567609
  C      -7.554677      3.280533     -0.438317
  N      -6.698556      3.918989      0.345074
  C      -7.168430      4.977501      1.055613
  C      -6.437118      2.512292      6.582525
  C      -7.014637      3.941168      6.509164
  C      -8.324521      4.010156      5.740965
  O      -8.090504      3.389164      4.459329
  C      -9.161836      3.087516      3.690413
  C     -10.391807      3.730168      3.758533
  C     -11.410481      3.345443      2.868045
  N     -11.306346      2.383271      1.958479
  C     -10.113068      1.720836      1.903096
  C      -9.953390      0.661510      0.976768
  C      -8.753650     -0.027163      0.934416
  C      -7.721602      0.340952      1.816032
  N      -7.819721      1.334321      2.699994
  C      -8.994015      2.027609      2.745314
  H      -4.666830     -1.290129      4.907694
  H      -5.071670     -0.098283      3.669438
  H      -2.666212     -1.991520      3.437026
  H      -4.279384     -2.358895      2.814741
  H      -2.706769     -1.440378      1.065724
  H      -2.651324      0.108604      1.976053
  H      -5.788782     -1.051368     -0.995805
  H      -5.852772      0.282074     -3.108895
  H      -3.197394      3.982165     -2.479489
  H      -1.916014      4.907105     -0.501189
  H      -1.989310      3.658790      1.668462
  H      -2.243002      5.972927      4.792236
  H      -3.253830      5.427835      6.133463
  H      -4.727822      6.578853      4.761271
  H      -5.075229      4.895329      4.390560
  H      -3.090894      5.469364      2.509123
  H      -4.018561      6.997581      2.551020
  H      -6.141540      7.379743      3.277714
  H      -8.527137      7.963232      3.060848
  H     -10.451336      5.002661      0.112756
  H      -9.565723      3.054203     -1.226486
  H      -7.155117      2.428842     -0.996711
  H      -6.868188      1.976755      7.450311
  H      -6.756214      1.973977      5.680415
  H      -6.280082      4.581654      6.002727
  H      -7.173594      4.370762      7.510801
  H      -8.642880      5.057022      5.602735
  H      -9.135460      3.463546      6.252663
  H     -10.569232      4.543004      4.461166
  H     -12.369681      3.871951      2.907280
  H     -10.792492      0.415055      0.324270
  H      -8.595949     -0.849973      0.235629
  H      -6.768029     -0.193447      1.796341
  N      -5.066339      2.413164      3.269128
  H      -5.192458      3.368126      2.915672
  H      -6.025383      2.007699      3.262115
  H      -4.529939      1.959803      2.503989
102
Coordinates from ORCA-job orca E -6430.715955871151
  N      -3.309567      0.330803      4.727330
  Mo     -3.788210      2.241474      5.090785
  N      -4.972893      2.443305      6.627793
  C      -4.368871      2.539406      7.962743
  C      -3.110271      1.680565      7.983304
  N      -2.327192      1.917665      6.738995
  C      -1.525358      0.726724      6.346977
  C      -2.413014     -0.312399      5.686125
  C      -1.470446      3.131027      6.822284
  C      -1.297463      3.679683      5.404238
  N      -2.607050      3.906442      4.786934
  H      -1.757844     -1.063776      5.204974
  H      -2.999806     -0.870385      6.449164
  H      -0.774173      1.071437      5.623806
  H      -0.993120      0.308841      7.221121
  H      -0.699827      4.610048      5.441054
  H      -0.718456      2.963532      4.797249
  H      -1.997809      3.872779      7.439210
  H      -0.510650      2.893573      7.317757
  H      -5.063399      2.173178      8.740959
  H      -4.130073      3.588766      8.225207
  H      -3.407484      0.622659      7.980189
  H      -2.489383      1.866082      8.877992
  C      -4.217762     -0.636193      4.112847
  C      -3.578038     -1.540345      3.044599
  C      -3.242425     -0.813132      1.760673
  O      -4.505368     -0.437601      1.137472
  C      -4.460752      0.295066     -0.014162
  C      -5.209979     -0.142970     -1.100270
  C      -5.226552      0.620373     -2.279572
  N      -4.562110      1.760700     -2.452980
  C      -3.847388      2.222395     -1.385700
  C      -3.151760      3.451575     -1.494792
  C      -2.474405      3.950362     -0.393764
  C      -2.508331      3.230929      0.812565
  N      -3.138491      2.065802      0.963398
  C      -3.777963      1.541987     -0.121921
  C      -3.075733      5.261618      5.073463
  C      -4.333794      5.675885      4.313977
  C      -4.076047      5.928980      2.826190
  O      -5.022575      5.267249      1.957131
  C      -6.292667      5.717431      1.905654
  C      -6.795928      6.815923      2.586495
  C      -8.157712      7.152834      2.427334
  N      -9.024267      6.506170      1.664242
  C      -8.539281      5.427061      0.976684
  C      -9.405878      4.700035      0.125639
  C      -8.915813      3.614948     -0.568098
  C      -7.561014      3.248940     -0.401658
  N      -6.712861      3.896253      0.382995
  C      -7.184206      4.975408      1.060652
  C      -6.430959      2.508166      6.581144
  C      -6.998336      3.941427      6.511372
  C      -8.308531      4.021184      5.744225
  O      -8.082525      3.398031      4.462387
  C      -9.159460      3.100902      3.699218
  C     -10.386796      3.747579      3.775094
  C     -11.413851      3.362145      2.894755
  N     -11.319092      2.397616      1.986551
  C     -10.126573      1.734890      1.920231
  C      -9.973315      0.678885      0.989244
  C      -8.771664     -0.005670      0.931742
  C      -7.731316      0.363624      1.802891
  N      -7.824012      1.352782      2.692230
  C      -9.000198      2.041688      2.752526
  H      -4.653960     -1.284887      4.900741
  H      -5.061856     -0.102242      3.654900
  H      -2.651825     -1.992239      3.434351
  H      -4.265585     -2.373240      2.821739
  H      -2.701662     -1.468462      1.057447
  H      -2.647161      0.089438      1.952666
  H      -5.762446     -1.080863     -1.031013
  H      -5.810124      0.266328     -3.135863
  H      -3.186874      3.981888     -2.447403
  H      -1.933280      4.896459     -0.445552
  H      -2.013418      3.621054      1.707956
  H      -2.268480      5.984101      4.827506
  H      -3.276728      5.407386      6.157981
  H      -4.752556      6.571080      4.797159
  H      -5.095296      4.889014      4.418473
  H      -3.118441      5.481056      2.534722
  H      -4.054232      7.003242      2.582849
  H      -6.171227      7.419061      3.242780
  H      -8.547076      8.018767      2.973917
  H     -10.446551      5.017882      0.050061
  H      -9.558122      3.028943     -1.226083
  H      -7.159761      2.381600     -0.934149
  H      -6.863386      1.973157      7.448795
  H      -6.754491      1.973398      5.678930
  H      -6.258502      4.577936      6.006378
  H      -7.154069      4.368951      7.514354
  H      -8.618663      5.070491      5.606378
  H      -9.122646      3.481011      6.257664
  H     -10.555582      4.563666      4.475980
  H     -12.371599      3.890755      2.940266
  H     -10.817457      0.433812      0.342818
  H      -8.618336     -0.824465      0.227327
  H      -6.775376     -0.165819      1.769908
  N      -5.058513      2.427888      3.265845
  H      -5.194348      3.387271      2.927808
  H      -6.012235      2.009590      3.248794
  H      -4.515409      1.996260      2.494049
102
Coordinates from ORCA-job orca E -6430.715903006830
  N      -3.316571      0.325524      4.720379
  Mo     -3.795713      2.234973      5.087683
  N      -4.972023      2.436015      6.631255
  C      -4.361359      2.532706      7.963002
  C      -3.101668      1.675321      7.977096
  N      -2.325917      1.912983      6.728363
  C      -1.525553      0.722050      6.332370
  C      -2.416278     -0.317748      5.675839
  C      -1.470278      3.127793      6.807382
  C      -1.306153      3.678113      5.388775
  N      -2.618856      3.901404      4.777112
  H      -1.763461     -1.069631      5.192395
  H      -3.000177     -0.875111      6.441596
  H      -0.778073      1.066943      5.605460
  H      -0.988751      0.304333      7.203707
  H      -0.710792      4.610017      5.423029
  H      -0.728264      2.963977      4.778390
  H      -1.995338      3.868309      7.427766
  H      -0.507509      2.891590      7.297681
  H      -5.051656      2.166052      8.744643
  H      -4.122250      3.582321      8.224214
  H      -3.397190      0.616934      7.976471
  H      -2.476014      1.862391      8.868028
  C      -4.228472     -0.638745      4.106924
  C      -3.596351     -1.538612      3.030683
  C      -3.259403     -0.802139      1.752532
  O      -4.520461     -0.401457      1.141813
  C      -4.469603      0.340142     -0.003832
  C      -5.235859     -0.071244     -1.088300
  C      -5.246723      0.705371     -2.259098
  N      -4.559900      1.833310     -2.426018
  C      -3.827126      2.268750     -1.359930
  C      -3.104649      3.483003     -1.462488
  C      -2.406785      3.954727     -0.362388
  C      -2.446917      3.223921      0.836865
  N      -3.102264      2.071950      0.981314
  C      -3.762638      1.574153     -0.103751
  C      -3.093278      5.253839      5.067697
  C      -4.351774      5.665049      4.307144
  C      -4.092906      5.916677      2.819356
  O      -5.035251      5.249508      1.950011
  C      -6.304954      5.699674      1.887029
  C      -6.812172      6.804972      2.553982
  C      -8.172146      7.142191      2.380842
  N      -9.033366      6.489804      1.616446
  C      -8.544309      5.403798      0.942770
  C      -9.404467      4.671057      0.090041
  C      -8.910171      3.578931     -0.589704
  C      -7.557767      3.211767     -0.407447
  N      -6.715439      3.864556      0.378899
  C      -7.190783      4.950777      1.042452
  C      -6.429822      2.509179      6.591309
  C      -6.988474      3.946022      6.520585
  C      -8.296704      4.032190      5.751109
  O      -8.072380      3.400515      4.473304
  C      -9.148601      3.107732      3.707412
  C     -10.370758      3.765147      3.772417
  C     -11.397969      3.378982      2.892464
  N     -11.308607      2.403177      1.995829
  C     -10.121600      1.729555      1.941066
  C      -9.974994      0.659765      1.024834
  C      -8.779293     -0.036204      0.980247
  C      -7.737885      0.336135      1.848842
  N      -7.824590      1.337915      2.724448
  C      -8.995012      2.037347      2.772465
  H      -4.662332     -1.290063      4.893873
  H      -5.073891     -0.101487      3.655120
  H      -2.671872     -1.999285      3.414225
  H      -4.289525     -2.365497      2.802821
  H      -2.731608     -1.456798      1.038887
  H      -2.650917      0.090270      1.950928
  H      -5.806939     -0.998317     -1.024481
  H      -5.843727      0.372303     -3.114529
  H      -3.135422      4.023801     -2.409330
  H      -1.844519      4.888654     -0.409087
  H      -1.935272      3.593192      1.731662
  H      -2.288573      5.980280      4.824998
  H      -3.296806      5.395675      6.152255
  H      -4.772875      6.559773      4.789235
  H      -5.112026      4.877009      4.411525
  H      -3.133311      5.471219      2.530549
  H      -4.074156      6.990469      2.573785
  H      -6.191766      7.413598      3.209208
  H      -8.564724      8.013443      2.916551
  H     -10.443723      4.990259      0.002183
  H      -9.547361      2.988613     -1.248797
  H      -7.153326      2.338902     -0.928537
  H      -6.861645      1.978399      7.461672
  H      -6.760489      1.974542      5.691444
  H      -6.243452      4.577426      6.016813
  H      -7.143394      4.375007      7.523062
  H      -8.599307      5.082979      5.607912
  H      -9.115413      3.500063      6.265691
  H     -10.535413      4.589569      4.464433
  H     -12.351461      3.915831      2.929129
  H     -10.819594      0.413167      0.379647
  H      -8.631230     -0.865728      0.287393
  H      -6.786246     -0.201681      1.825559
  N      -5.074831      2.421430      3.268921
  H      -5.218149      3.381253      2.935302
  H      -6.025889      1.997090      3.253299
  H      -4.531712      1.995825      2.493237
102
Coordinates from ORCA-job orca E -6430.715956337863
  N      -3.313254      0.326730      4.722280
  Mo     -3.791844      2.237468      5.083969
  N      -4.971821      2.442935      6.624396
  C      -4.363557      2.542340      7.957054
  C      -3.104502      1.684152      7.976042
  N      -2.325468      1.917807      6.728697
  C      -1.525386      0.725414      6.337011
  C      -2.415650     -0.314837      5.681409
  C      -1.468247      3.131303      6.805748
  C      -1.300295      3.676955      5.385776
  N      -2.611452      3.901052      4.771093
  H      -1.762606     -1.068583      5.201184
  H      -3.001918     -0.869271      6.447412
  H      -0.776352      1.068212      5.610747
  H      -0.990831      0.309330      7.210585
  H      -0.703681      4.608159      5.418710
  H      -0.722468      2.960089      4.778571
  H      -1.992992      3.874468      7.423199
  H      -0.506499      2.894924      7.297941
  H      -5.055456      2.177585      8.738311
  H      -4.124537      3.592495      8.216329
  H      -3.401320      0.626131      7.977150
  H      -2.480882      1.872557      8.868213
  C      -4.222853     -0.640507      4.110188
  C      -3.585410     -1.545698      3.041672
  C      -3.246505     -0.817682      1.759122
  O      -4.506900     -0.430257      1.138122
  C      -4.454578      0.310606     -0.007964
  C      -5.202985     -0.113738     -1.100001
  C      -5.209999      0.659141     -2.273263
  N      -4.536847      1.796028     -2.435380
  C      -3.822612      2.244303     -1.361946
  C      -3.117258      3.468882     -1.458886
  C      -2.439889      3.953661     -0.351540
  C      -2.483396      3.224924      0.848792
  N      -3.122909      2.063446      0.988152
  C      -3.762838      1.553394     -0.103474
  C      -3.084899      5.253907      5.062280
  C      -4.341924      5.668719      4.301181
  C      -4.084301      5.918250      2.812912
  O      -5.031846      5.254273      1.946766
  C      -6.301450      5.705968      1.895435
  C      -6.802521      6.806665      2.574385
  C      -8.163563      7.146169      2.414717
  N      -9.031533      6.499881      1.652865
  C      -8.548846      5.418297      0.967557
  C      -9.416797      4.691912      0.117316
  C      -8.928984      3.604493     -0.574355
  C      -7.575233      3.235372     -0.406510
  N      -6.725898      3.882000      0.377422
  C      -7.194862      4.963657      1.052733
  C      -6.429899      2.511387      6.582404
  C      -6.993344      3.946318      6.512448
  C      -8.303471      4.029673      5.745418
  O      -8.080244      3.402979      4.464840
  C      -9.158823      3.105914      3.703768
  C     -10.385263      3.754251      3.780084
  C     -11.414820      3.366421      2.903775
  N     -11.323423      2.397786      1.999568
  C     -10.131740      1.733663      1.932781
  C      -9.981947      0.673331      1.006188
  C      -8.780896     -0.012351      0.948193
  C      -7.737622      0.360304      1.814333
  N      -7.827167      1.353388      2.699644
  C      -9.002766      2.043262      2.760517
  H      -4.658832     -1.288180      4.899053
  H      -5.066876     -0.106130      3.652530
  H      -2.660357     -2.000432      3.430985
  H      -4.275282     -2.376471      2.818142
  H      -2.711300     -1.475060      1.053579
  H      -2.644566      0.080004      1.953295
  H      -5.762328     -1.048201     -1.040291
  H      -5.792965      0.315877     -3.134347
  H      -3.145132      4.007063     -2.407308
  H      -1.891669      4.896130     -0.393745
  H      -1.989036      3.603945      1.749240
  H      -2.278635      5.979306      4.821974
  H      -3.290155      5.394517      6.146653
  H      -4.758862      6.565658      4.782837
  H      -5.105264      4.883894      4.407022
  H      -3.126912      5.469571      2.521824
  H      -4.062571      6.991855      2.566835
  H      -6.176582      7.409765      3.229608
  H      -8.551105      8.013909      2.959721
  H     -10.456636      5.012150      0.040665
  H      -9.572354      3.018962     -1.231722
  H      -7.175800      2.366291     -0.937487
  H      -6.860564      1.978900      7.452427
  H      -6.758065      1.976044      5.682168
  H      -6.251411      4.580280      6.007430
  H      -7.147837      4.374573      7.515291
  H      -8.609715      5.079854      5.605657
  H      -9.119286      3.493366      6.260202
  H     -10.551626      4.572711      4.478765
  H     -12.371966      3.896066      2.949502
  H     -10.828237      0.425884      0.363510
  H      -8.630284     -0.834253      0.246833
  H      -6.781826     -0.169461      1.780434
  N      -5.065855      2.421532      3.262707
  H      -5.203205      3.380314      2.923661
  H      -6.019120      2.001971      3.247266
  H      -4.523066      1.989626      2.490376
102
Coordinates from ORCA-job orca E -6430.715912875979
  N      -3.306226      0.337343      4.731073
  Mo     -3.784889      2.247057      5.100365
  N      -4.974541      2.443491      6.634398
  C      -4.374752      2.534463      7.971659
  C      -3.116236      1.675303      7.992918
  N      -2.329398      1.917031      6.751844
  C      -1.526112      0.727819      6.357338
  C      -2.411778     -0.308901      5.690003
  C      -1.473168      3.130254      6.842640
  C      -1.294045      3.682989      5.427133
  N      -2.600993      3.911546      4.804831
  H      -1.755398     -1.058528      5.207832
  H      -3.000459     -0.869724      6.449487
  H      -0.773294      1.075664      5.637333
  H      -0.995979      0.306732      7.231185
  H      -0.696505      4.613139      5.469243
  H      -0.712447      2.968592      4.820483
  H      -2.003518      3.870156      7.459265
  H      -0.515660      2.891412      7.341836
  H      -5.071913      2.165673      8.746208
  H      -4.136393      3.582718      8.238698
  H      -3.413259      0.617386      7.985156
  H      -2.497937      1.857795      8.889993
  C      -4.212439     -0.628878      4.112220
  C      -3.571618     -1.529356      3.041324
  C      -3.243044     -0.802048      1.755526
  O      -4.509954     -0.434311      1.135511
  C      -4.474971      0.290589     -0.021534
  C      -5.229751     -0.158283     -1.099358
  C      -5.258042      0.596573     -2.283862
  N      -4.600052      1.738561     -2.469986
  C      -3.880273      2.211091     -1.411009
  C      -3.191422      3.442843     -1.533633
  C      -2.508877      3.952810     -0.441013
  C      -2.531201      3.242194      0.770887
  N      -3.155038      2.075224      0.934337
  C      -3.798840      1.540094     -0.142831
  C      -3.067899      5.267954      5.088693
  C      -4.323658      5.683750      4.326569
  C      -4.061577      5.939036      2.839866
  O      -5.004683      5.277048      1.967367
  C      -6.273440      5.729896      1.907442
  C      -6.777010      6.834045      2.578800
  C      -8.137629      7.172244      2.412445
  N      -9.002984      6.520940      1.651920
  C      -8.517886      5.435331      0.974724
  C      -9.384119      4.700655      0.129907
  C      -8.894508      3.607536     -0.551469
  C      -7.540159      3.242123     -0.379818
  N      -6.692408      3.896253      0.399583
  C      -7.163545      4.982767      1.065553
  C      -6.432900      2.501772      6.583294
  C      -7.007832      3.932080      6.515605
  C      -8.318418      4.005556      5.748665
  O      -8.088921      3.383769      4.466873
  C      -9.163168      3.088529      3.699355
  C     -10.390661      3.735272      3.772252
  C     -11.413178      3.355002      2.884433
  N     -11.313863      2.395631      1.971252
  C     -10.121563      1.732193      1.908252
  C      -9.963616      0.681736      0.971768
  C      -8.762886     -0.004746      0.918611
  C      -7.727968      0.357398      1.799200
  N      -7.824647      1.342166      2.692954
  C      -8.999888      2.033064      2.748993
  H      -4.647323     -1.280969      4.898030
  H      -5.057770     -0.095402      3.656208
  H      -2.642489     -1.977461      3.428493
  H      -4.256259     -2.365218      2.820487
  H      -2.701787     -1.456563      1.051880
  H      -2.651327      0.103580      1.943913
  H      -5.777590     -1.098070     -1.019709
  H      -5.845907      0.233795     -3.133537
  H      -3.235522      3.966028     -2.489812
  H      -1.972360      4.900909     -0.503671
  H      -2.032322      3.640878      1.660281
  H      -2.259039      5.988569      4.842327
  H      -3.269509      5.415774      6.172830
  H      -4.743772      6.578264      4.809879
  H      -5.085421      4.896694      4.427750
  H      -3.102565      5.492729      2.550802
  H      -4.040559      7.013578      2.597666
  H      -6.153335      7.440889      3.232650
  H      -8.527239      8.042994      2.951141
  H     -10.424469      5.018554      0.050112
  H      -9.536970      3.014555     -1.203099
  H      -7.139186      2.368517     -0.902276
  H      -6.865433      1.962287      7.448059
  H      -6.751111      1.967676      5.678650
  H      -6.271637      4.573136      6.011319
  H      -7.165609      4.357251      7.519265
  H      -8.633842      5.053346      5.611155
  H      -9.129890      3.461112      6.261830
  H     -10.562357      4.548700      4.475526
  H     -12.370750      3.884163      2.927272
  H     -10.803497      0.442496      0.317659
  H      -8.606183     -0.819783      0.210564
  H      -6.772991     -0.173908      1.769905
  N      -5.051478      2.436754      3.273201
  H      -5.187086      3.396283      2.935715
  H      -6.004846      2.017902      3.252614
  H      -4.504491      2.006090      2.503707
102
Coordinates from ORCA-job orca E -6430.715957463563
  N      -3.310546      0.332562      4.725164
  Mo     -3.788729      2.242947      5.090228
  N      -4.973638      2.444581      6.627309
  C      -4.369620      2.539575      7.962342
  C      -3.111416      1.680026      7.982840
  N      -2.328038      1.917230      6.738772
  C      -1.526762      0.726124      6.345918
  C      -2.415056     -0.311862      5.684360
  C      -1.470489      3.129987      6.822809
  C      -1.296819      3.679557      5.405191
  N      -2.606003      3.906542      4.787352
  H      -1.760740     -1.063968      5.203289
  H      -3.003106     -0.869017      6.447006
  H      -0.775530      1.071139      5.622969
  H      -0.994861      0.307280      7.219798
  H      -0.699552      4.610126      5.443054
  H      -0.717513      2.964047      4.797773
  H      -1.997369      3.871704      7.440189
  H      -0.510866      2.891661      7.318213
  H      -5.064471      2.173573      8.740366
  H      -4.130063      3.588666      8.225246
  H      -3.409111      0.622256      7.979495
  H      -2.490549      1.865079      8.877639
  C      -4.218983     -0.634090      4.110231
  C      -3.580000     -1.538169      3.041473
  C      -3.246376     -0.812348      1.756253
  O      -4.510147     -0.435963      1.135205
  C      -4.466460      0.296811     -0.016415
  C      -5.217914     -0.139666     -1.101584
  C      -5.235800      0.624719     -2.280237
  N      -4.570467      1.764461     -2.453963
  C      -3.853275      2.224502     -1.387597
  C      -3.156092      3.452731     -1.496939
  C      -2.475662      3.949414     -0.396864
  C      -2.507957      3.228840      0.808804
  N      -3.139707      2.064577      0.959830
  C      -3.782484      1.542960     -0.124533
  C      -3.077068      5.260124      5.078813
  C      -4.334649      5.676053      4.319549
  C      -4.076976      5.932434      2.832384
  O      -5.021012      5.268443      1.962332
  C      -6.292279      5.715370      1.910169
  C      -6.799212      6.811693      2.591829
  C      -8.161557      7.145539      2.431159
  N      -9.025516      6.497651      1.666106
  C      -8.536967      5.420462      0.978021
  C      -9.400404      4.692629      0.124429
  C      -8.906473      3.609918     -0.570339
  C      -7.551117      3.246829     -0.402098
  N      -6.705843      3.895045      0.384887
  C      -7.180902      4.972095      1.063305
  C      -6.431593      2.511913      6.580269
  C      -6.996191      3.946294      6.508832
  C      -8.305415      4.027603      5.740160
  O      -8.079058      3.400851      4.460202
  C      -9.155163      3.104290      3.695689
  C     -10.382110      3.752067      3.768632
  C     -11.408527      3.364869      2.888322
  N     -11.313842      2.397070      1.983553
  C     -10.121844      1.733133      1.920458
  C      -9.969059      0.672805      0.994329
  C      -8.768126     -0.013351      0.940829
  C      -7.727889      0.358862      1.810869
  N      -7.820156      1.352059      2.695718
  C      -8.995748      2.042276      2.752244
  H      -4.654707     -1.283260      4.897997
  H      -5.063431     -0.100131      3.652897
  H      -2.652758     -1.988990      3.430109
  H      -4.267223     -2.371849      2.820574
  H      -2.708089     -1.469308      1.052654
  H      -2.649757      0.089768      1.946224
  H      -5.771518     -1.076879     -1.032185
  H      -5.821238      0.271860     -3.135748
  H      -3.192405      3.984004     -2.448972
  H      -1.933446      4.894875     -0.448807
  H      -2.010874      3.617009      1.703774
  H      -2.270328      5.984527      4.836941
  H      -3.280076      5.401081      6.163557
  H      -4.753414      6.570183      4.804763
  H      -5.096296      4.889122      4.422168
  H      -3.117685      5.488553      2.540280
  H      -4.058965      7.007108      2.590631
  H      -6.176951      7.415528      3.249806
  H      -8.553808      8.009840      2.978258
  H     -10.441686      5.008142      0.047523
  H      -9.546194      3.023491     -1.230447
  H      -7.146666      2.381512     -0.935524
  H      -6.865145      1.978467      7.448293
  H      -6.755980      1.976922      5.678493
  H      -6.254538      4.580824      6.003963
  H      -7.152142      4.374969      7.511278
  H      -8.613081      5.077259      5.599559
  H      -9.121193      3.490235      6.253925
  H     -10.551203      4.569727      4.467591
  H     -12.366103      3.893971      2.931567
  H     -10.813125      0.425585      0.348620
  H      -8.615305     -0.835528      0.240253
  H      -6.772693     -0.172029      1.781253
  N      -5.059062      2.430538      3.266023
  H      -5.197098      3.389956      2.928916
  H      -6.011389      2.009316      3.246792
  H      -4.512923      2.001617      2.494742
102
Coordinates from ORCA-job orca E -6430.715912494385
  N      -3.320251      0.321487      4.719759
  Mo     -3.795529      2.233450      5.077998
  N      -4.969908      2.445328      6.622090
  C      -4.356985      2.548747      7.952187
  C      -3.098821      1.689297      7.969916
  N      -2.324107      1.917167      6.718931
  C      -1.527779      0.721492      6.328937
  C      -2.422367     -0.319188      5.679426
  C      -1.464775      3.129806      6.788765
  C      -1.300711      3.670402      5.366311
  N      -2.613173      3.893279      4.753840
  H      -1.772558     -1.076501      5.200494
  H      -3.008547     -0.869097      6.448781
  H      -0.780256      1.060176      5.599198
  H      -0.991416      0.307291      7.202246
  H      -0.703185      4.601169      5.394086
  H      -0.725244      2.950909      4.760015
  H      -1.986445      3.875922      7.405267
  H      -0.501838      2.893864      7.278860
  H      -5.046643      2.187495      8.736959
  H      -4.115984      3.599540      8.207034
  H      -3.396601      0.631570      7.976394
  H      -2.471709      1.880664      8.858945
  C      -4.231638     -0.644128      4.108041
  C      -3.596756     -1.547906      3.037175
  C      -3.251684     -0.813900      1.759825
  O      -4.508032     -0.408109      1.142796
  C      -4.446584      0.342769      0.003792
  C      -5.198860     -0.062161     -1.092897
  C      -5.195076      0.721866     -2.258786
  N      -4.507077      1.851394     -2.409659
  C      -3.788553      2.280750     -1.331309
  C      -3.065972      3.496143     -1.416771
  C      -2.383579      3.961954     -0.304371
  C      -2.439493      3.224079      0.889769
  N      -3.094941      2.070104      1.018180
  C      -3.739814      1.578050     -0.078943
  C      -3.085370      5.247636      5.040482
  C      -4.342406      5.661180      4.278546
  C      -4.086701      5.899944      2.788180
  O      -5.039513      5.234549      1.928927
  C      -6.305746      5.695425      1.873397
  C      -6.797857      6.807577      2.540199
  C      -8.155998      7.156550      2.376398
  N      -9.029224      6.508843      1.621711
  C      -8.555490      5.415482      0.948975
  C      -9.429674      4.685846      0.107913
  C      -8.951231      3.585614     -0.569975
  C      -7.600410      3.207764     -0.398248
  N      -6.745566      3.856894      0.377596
  C      -7.205364      4.950615      1.039663
  C      -6.428268      2.512197      6.585511
  C      -6.994058      3.946174      6.514963
  C      -8.307437      4.025726      5.753227
  O      -8.088842      3.395200      4.473848
  C      -9.169832      3.096016      3.717172
  C     -10.397060      3.742264      3.797849
  C     -11.428943      3.352936      2.924941
  N     -11.338824      2.385128      2.019775
  C     -10.146407      1.722717      1.949016
  C      -9.997484      0.664030      1.020437
  C      -8.795775     -0.020173      0.958620
  C      -7.750648      0.352854      1.822392
  N      -7.838932      1.345332      2.708483
  C      -9.015428      2.033337      2.773549
  H      -4.668587     -1.292089      4.896102
  H      -5.074885     -0.107570      3.651478
  H      -2.674580     -2.009212      3.425614
  H      -4.290447     -2.374069      2.808329
  H      -2.723263     -1.471156      1.049082
  H      -2.640836      0.076308      1.960627
  H      -5.769485     -0.990344     -1.042787
  H      -5.780949      0.393802     -3.123806
  H      -3.084757      4.042713     -2.360602
  H      -1.821813      4.896753     -0.337872
  H      -1.941516      3.588627      1.794205
  H      -2.278530      5.971184      4.796479
  H      -3.289397      5.392914      6.124470
  H      -4.755698      6.562595      4.755028
  H      -5.108307      4.879732      4.390500
  H      -3.131850      5.445199      2.497983
  H      -4.060989      6.971744      2.534898
  H      -6.167029      7.412770      3.188782
  H      -8.536418      8.033498      2.911576
  H     -10.466932      5.013463      0.027896
  H      -9.599894      2.996606     -1.219024
  H      -7.208502      2.328591     -0.918084
  H      -6.854727      1.981214      7.458413
  H      -6.759525      1.974254      5.687837
  H      -6.254971      4.580071      6.005984
  H      -7.145219      4.376031      7.517624
  H      -8.615640      5.075087      5.611596
  H      -9.120403      3.489988      6.273126
  H     -10.562380      4.560391      4.497156
  H     -12.386602      3.881348      2.973647
  H     -10.844830      0.416903      0.379080
  H      -8.645821     -0.840758      0.255608
  H      -6.793805     -0.175006      1.784598
  N      -5.076118      2.411588      3.260756
  H      -5.210268      3.368305      2.914885
  H      -6.031398      1.996608      3.251646
  H      -4.537611      1.970721      2.489720
102
Coordinates from ORCA-job orca E -6430.715964926310
  N      -3.313677      0.329583      4.724228
  Mo     -3.790583      2.240623      5.086915
  N      -4.971988      2.445813      6.626372
  C      -4.364977      2.543693      7.959766
  C      -3.106935      1.683939      7.979395
  N      -2.326403      1.917854      6.732971
  C      -1.526901      0.725136      6.341124
  C      -2.417470     -0.313646      5.683629
  C      -1.468117      3.130493      6.812324
  C      -1.297247      3.676832      5.393073
  N      -2.607399      3.902456      4.776754
  H      -1.764824     -1.067648      5.203291
  H      -3.004963     -0.868263      6.448551
  H      -0.776899      1.067897      5.615827
  H      -0.993511      0.307835      7.214810
  H      -0.699756      4.607386      5.427555
  H      -0.719177      2.959825      4.786243
  H      -1.993328      3.873849      7.429164
  H      -0.507555      2.892922      7.306267
  H      -5.058175      2.179571      8.740113
  H      -4.124656      3.593330      8.219811
  H      -3.404797      0.626215      7.979383
  H      -2.483935      1.871086      8.872251
  C      -4.223008     -0.636946      4.110477
  C      -3.585261     -1.541693      3.041638
  C      -3.247133     -0.814466      1.758429
  O      -4.508164     -0.428776      1.137626
  C      -4.458455      0.309317     -0.010369
  C      -5.210356     -0.117405     -1.099062
  C      -5.221876      0.653189     -2.273769
  N      -4.549844      1.790050     -2.440420
  C      -3.832065      2.240649     -1.370427
  C      -3.127971      3.465624     -1.472086
  C      -2.447109      3.953022     -0.368113
  C      -2.485788      3.226602      0.833840
  N      -3.124161      2.064990      0.977589
  C      -3.767411      1.552269     -0.110767
  C      -3.078383      5.256712      5.065285
  C      -4.335929      5.671473      4.305162
  C      -4.079402      5.922040      2.816768
  O      -5.026934      5.258018      1.950506
  C      -6.296410      5.710113      1.898105
  C      -6.797647      6.811299      2.576166
  C      -8.158704      7.150524      2.416006
  N      -9.026563      6.503357      1.654766
  C      -8.543724      5.421251      0.970405
  C      -9.411794      4.693438      0.121508
  C      -8.923847      3.605420     -0.569170
  C      -7.569754      3.237344     -0.401811
  N      -6.720329      3.885142      0.381080
  C      -7.189516      4.967229      1.055604
  C      -6.430174      2.511508      6.582858
  C      -6.996820      3.945070      6.511233
  C      -8.307780      4.024025      5.745279
  O      -8.083741      3.395885      4.465636
  C      -9.161107      3.099148      3.702993
  C     -10.388040      3.746681      3.778100
  C     -11.415487      3.360263      2.898647
  N     -11.321628      2.393778      1.992408
  C     -10.129634      1.730032      1.927164
  C      -9.977363      0.671675      0.998686
  C      -8.776358     -0.014199      0.942830
  C      -7.735478      0.356415      1.812771
  N      -7.827207      1.347961      2.699539
  C      -9.002821      2.037930      2.758390
  H      -4.659254     -1.285370      4.898560
  H      -5.067022     -0.102389      3.653090
  H      -2.659975     -1.995973      3.430908
  H      -4.274774     -2.372881      2.818453
  H      -2.712003     -1.472486      1.053404
  H      -2.645665      0.083792      1.951300
  H      -5.769286     -1.051870     -1.035528
  H      -5.807680      0.308013     -3.132154
  H      -3.159508      4.001981     -2.421434
  H      -1.899717      4.895803     -0.414113
  H      -1.988706      3.607637      1.731916
  H      -2.271523      5.980382      4.821605
  H      -3.281193      5.400303      6.149726
  H      -4.752905      6.568038      4.787455
  H      -5.098875      4.886223      4.411128
  H      -3.121786      5.474485      2.524730
  H      -4.058863      6.995816      2.571313
  H      -6.171879      7.414914      3.231018
  H      -8.546405      8.018659      2.960264
  H     -10.451852      5.013069      0.045133
  H      -9.567345      3.018608     -1.225277
  H      -7.170128      2.367834     -0.932011
  H      -6.860832      1.978705      7.452679
  H      -6.756294      1.974873      5.682637
  H      -6.256941      4.580032      6.004471
  H      -7.151305      4.374375      7.513635
  H      -8.616822      5.073199      5.604056
  H      -9.121918      3.486541      6.261535
  H     -10.556289      4.563826      4.477863
  H     -12.372957      3.889416      2.943403
  H     -10.821761      0.425943      0.352865
  H      -8.623899     -0.834778      0.240313
  H      -6.779891     -0.173796      1.780803
  N      -5.064877      2.424851      3.265307
  H      -5.203381      3.383448      2.926096
  H      -6.017412      2.003836      3.248679
  H      -4.519989      1.993834      2.494227
102
Coordinates from ORCA-job orca E -6430.715965500175
  N      -3.314834      0.330430      4.724004
  Mo     -3.790247      2.241820      5.087013
  N      -4.972341      2.447893      6.625820
  C      -4.365857      2.545077      7.959515
  C      -3.108642      1.684051      7.979668
  N      -2.327198      1.917418      6.733684
  C      -1.528512      0.724122      6.341898
  C      -2.419616     -0.313705      5.683746
  C      -1.467825      3.129221      6.813587
  C      -1.295620      3.675539      5.394492
  N      -2.605274      3.902482      4.777566
  H      -1.767402     -1.068171      5.203556
  H      -3.007972     -0.867924      6.448282
  H      -0.777955      1.066490      5.616996
  H      -0.995865      0.306171      7.215734
  H      -0.697372      4.605578      5.429492
  H      -0.717847      2.958131      4.787850
  H      -1.992715      3.873017      7.430173
  H      -0.507768      2.890708      7.308052
  H      -5.059790      2.181649      8.739535
  H      -4.124532      3.594440      8.219694
  H      -3.407553      0.626626      7.979336
  H      -2.485908      1.870467      8.872875
  C      -4.224205     -0.635622      4.109565
  C      -3.586444     -1.540277      3.040656
  C      -3.248787     -0.813341      1.757123
  O      -4.510101     -0.428333      1.136381
  C      -4.461168      0.309823     -0.011626
  C      -5.212861     -0.117576     -1.100217
  C      -5.224540      0.652554     -2.275230
  N      -4.552888      1.789595     -2.442289
  C      -3.835407      2.240881     -1.372386
  C      -3.131453      3.465890     -1.474535
  C      -2.450704      3.953855     -0.370715
  C      -2.489565      3.228066      0.831605
  N      -3.127850      2.066449      0.975807
  C      -3.770741      1.553050     -0.112426
  C      -3.074921      5.257130      5.066669
  C      -4.333075      5.672767      4.308163
  C      -4.077818      5.925083      2.819859
  O      -5.024589      5.260263      1.953404
  C      -6.294765      5.710328      1.901169
  C      -6.797979      6.810518      2.579360
  C      -8.159657      7.147306      2.419194
  N      -9.026284      6.498789      1.657695
  C      -8.541426      5.417714      0.973116
  C      -9.408007      4.688608      0.123820
  C      -8.917990      3.601585     -0.566957
  C      -7.563322      3.235711     -0.399226
  N      -6.715213      3.884888      0.383921
  C      -7.186450      4.966063      1.058444
  C      -6.430443      2.514318      6.581212
  C      -6.996331      3.948066      6.507905
  C      -8.307319      4.026512      5.741970
  O      -8.083381      3.397024      4.462968
  C      -9.160844      3.099231      3.700936
  C     -10.388356      3.745604      3.776735
  C     -11.416241      3.357518      2.898547
  N     -11.322315      2.390409      1.992980
  C     -10.129677      1.727899      1.926972
  C      -9.977379      0.668870      0.999273
  C      -8.775688     -0.015699      0.942558
  C      -7.734188      0.356799      1.810959
  N      -7.825902      1.348989      2.697016
  C      -9.002248      2.037702      2.756695
  H      -4.660719     -1.284217      4.897367
  H      -5.068039     -0.100827      3.652169
  H      -2.660947     -1.994270      3.429776
  H      -4.275814     -2.371688      2.817856
  H      -2.713685     -1.471528      1.052239
  H      -2.647530      0.085153      1.949522
  H      -5.771293     -1.052322     -1.036471
  H      -5.810118      0.306785     -3.133538
  H      -3.162904      4.001760     -2.424158
  H      -1.903236      4.896586     -0.417169
  H      -1.992542      3.609367      1.729596
  H      -2.267841      5.980286      4.822178
  H      -3.276406      5.400658      6.151360
  H      -4.749657      6.568763      4.791846
  H      -5.095832      4.887329      4.414001
  H      -3.119722      5.479276      2.526875
  H      -4.058963      6.999110      2.575327
  H      -6.173316      7.415208      3.234265
  H      -8.548930      8.014730      2.963469
  H     -10.448597      5.006449      0.047234
  H      -9.560303      3.013839     -1.223382
  H      -7.161988      2.367036     -0.929519
  H      -6.862025      1.982393      7.451119
  H      -6.756188      1.977156      5.681162
  H      -6.256308      4.582085      6.000133
  H      -7.150447      4.378664      7.509808
  H      -8.616232      5.075578      5.599669
  H      -9.121472      3.489647      6.258850
  H     -10.556829      4.562926      4.476236
  H     -12.374260      3.885634      2.943928
  H     -10.822354      0.421493      0.354820
  H      -8.623220     -0.836818      0.240667
  H      -6.778218     -0.172623      1.778491
  N      -5.064214      2.426454      3.265266
  H      -5.200023      3.384686      2.924026
  H      -6.017857      2.008043      3.249420
  H      -4.520164      1.992287      2.495298
102
Coordinates from ORCA-job orca E -6430.715966018944
  N      -3.311931      0.330164      4.723802
  Mo     -3.790030      2.240635      5.088010
  N      -4.971608      2.444290      6.627621
  C      -4.364639      2.541613      7.961052
  C      -3.106004      1.682682      7.980170
  N      -2.325671      1.917873      6.733859
  C      -1.525418      0.725982      6.341030
  C      -2.415393     -0.312923      5.683039
  C      -1.468136      3.131002      6.813945
  C      -1.297608      3.678423      5.395066
  N      -2.607812      3.903215      4.778627
  H      -1.762416     -1.066471      5.202447
  H      -3.002695     -0.868014      6.447753
  H      -0.775853      1.069798      5.615782
  H      -0.991571      0.308420      7.214315
  H      -0.701037      4.609543      5.430229
  H      -0.718827      2.962379      4.787773
  H      -1.993844      3.873591      7.431294
  H      -0.507452      2.893701      7.307760
  H      -5.057658      2.176642      8.741167
  H      -4.124888      3.591235      8.221750
  H      -3.403026      0.624725      7.979687
  H      -2.483112      1.869883      8.873095
  C      -4.221061     -0.636847      4.110507
  C      -3.583589     -1.541122      3.041126
  C      -3.247917     -0.814243      1.757062
  O      -4.510089     -0.429363      1.138055
  C      -4.462065      0.307734     -0.010710
  C      -5.213295     -0.121287     -1.098942
  C      -5.225453      0.647793     -2.274666
  N      -4.554672      1.785198     -2.442655
  C      -3.837677      2.238051     -1.373091
  C      -3.134576      3.463457     -1.476275
  C      -2.454370      3.952919     -0.372804
  C      -2.492940      3.228263      0.830231
  N      -3.130303      2.066254      0.975368
  C      -3.772625      1.551426     -0.112503
  C      -3.081070      5.256258      5.069613
  C      -4.338228      5.671214      4.308987
  C      -4.080729      5.924277      2.821240
  O      -5.026111      5.259397      1.953360
  C      -6.296201      5.709583      1.899617
  C      -6.800092      6.809561      2.577684
  C      -8.161381      7.146960      2.415621
  N      -9.027054      6.499220      1.652379
  C      -8.541574      5.418253      0.968092
  C      -9.407190      4.689910      0.117159
  C      -8.916689      3.602781     -0.573089
  C      -7.562498      3.236137     -0.403295
  N      -6.715232      3.884591      0.381383
  C      -7.186943      4.965883      1.055422
  C      -6.429743      2.510545      6.583977
  C      -6.995628      3.944482      6.513038
  C      -8.305976      4.024643      5.746205
  O      -8.081758      3.396034      4.466894
  C      -9.158770      3.101778      3.702839
  C     -10.384601      3.751505      3.776794
  C     -11.411862      3.366999      2.896281
  N     -11.318834      2.400416      1.990061
  C     -10.127900      1.734664      1.925799
  C      -9.976490      0.676335      0.997152
  C      -8.776474     -0.011333      0.942061
  C      -7.735722      0.357494      1.812907
  N      -7.826671      1.348905      2.699923
  C      -9.001311      2.040602      2.758035
  H      -4.656175     -1.285721      4.898852
  H      -5.065878     -0.102936      3.653865
  H      -2.657269     -1.994158      3.429412
  H      -4.272457     -2.373194      2.819234
  H      -2.713762     -1.472500      1.051524
  H      -2.646431      0.084309      1.948534
  H      -5.770973     -1.056433     -1.034459
  H      -5.810656      0.300801     -3.132734
  H      -3.166219      3.998439     -2.426393
  H      -1.907481      4.895946     -0.420102
  H      -1.996377      3.610746      1.727967
  H      -2.274857      5.981511      4.828549
  H      -3.285490      5.397177      6.154095
  H      -4.756271      6.566704      4.792382
  H      -5.100787      4.885337      4.413018
  H      -3.122015      5.478930      2.529565
  H      -4.061994      6.998391      2.577123
  H      -6.176206      7.413655      3.233904
  H      -8.551171      8.014194      2.959828
  H     -10.447500      5.008300      0.039111
  H      -9.558306      3.015437     -1.230564
  H      -7.160916      2.367279     -0.933072
  H      -6.860720      1.977467      7.453476
  H      -6.756017      1.974487      5.683446
  H      -6.254904      4.579348      6.007411
  H      -7.150652      4.373028      7.515678
  H      -8.613981      5.074083      5.604701
  H      -9.120921      3.487981      6.262062
  H     -10.552097      4.568900      4.476445
  H     -12.368415      3.897887      2.940086
  H     -10.820708      0.432134      0.350513
  H      -8.624722     -0.831963      0.239446
  H      -6.780896     -0.174083      1.781473
  N      -5.064207      2.425113      3.266527
  H      -5.201857      3.383487      2.926405
  H      -6.017077      2.004860      3.249729
  H      -4.519002      1.992975      2.496223
