80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.511061580640
  N      -3.625125     -3.702791      3.289062
  C      -3.319915     -4.353675      2.017845
  C      -2.671608     -5.701165      2.319069
  N      -3.461816     -6.404242      3.358815
  C      -4.688548     -6.991461      2.755225
  C      -5.874172     -6.607531      3.644860
  N      -5.679030     -5.241396      4.079514
  Mo     -3.875525     -4.866720      4.860842
  N      -2.459951     -5.979365      5.750828
  C      -1.669079     -6.901082      4.949025
  C      -2.646786     -7.495884      3.941349
  H      -1.258689     -7.705903      5.567777
  H      -0.833684     -6.391437      4.452488
  H      -3.321814     -8.170923      4.479982
  H      -2.124387     -8.055203      3.157414
  H      -6.827418     -6.748922      3.128269
  H      -5.882905     -7.234084      4.550456
  H      -4.826763     -6.593605      1.747577
  H      -4.603759     -8.077370      2.668180
  H      -2.627479     -3.743421      1.428150
  H      -4.241428     -4.482094      1.433523
  H      -1.660283     -5.528460      2.699536
  H      -2.599473     -6.307512      1.409207
  C      -4.065226     -2.423953      3.223898
  C      -4.420814     -1.805688      2.003731
  C      -4.859519     -0.506410      1.930200
  Cl     -5.331313      0.113214      0.397039
  C      -4.896692      0.324952      3.084772
  C      -5.383486      1.707462      3.025011
  O      -6.161353      2.125319      2.181178
  C      -4.876595      2.694829      4.064325
  O      -3.962674      2.518049      4.824212
  C      -4.520077     -0.246400      4.284838
  C      -4.162509     -1.601189      4.408784
  C      -3.992466     -2.101388      5.718109
  O      -3.961136     -3.332616      5.991331
  C      -6.574269     -4.260509      3.815226
  C      -6.728676     -3.260280      4.801717
  C      -7.523515     -2.151822      4.630319
  Cl     -7.572438     -0.981685      5.891903
  C      -8.268102     -1.972876      3.441656
  C      -9.065065     -0.775197      3.189960
  O      -9.394576      0.037264      4.043248
  C      -9.458260     -0.464335      1.756107
  O      -8.841247     -0.784733      0.775910
  C      -8.215992     -3.017060      2.516975
  C      -7.397818     -4.129103      2.653429
  C      -7.393404     -5.025391      1.485585
  O      -8.321404     -5.164201      0.725881
  C      -2.083563     -5.782389      7.032459
  C      -0.757970     -5.967015      7.473252
  C      -0.384048     -5.712901      8.775497
  Cl      1.277479     -5.876038      9.186392
  C      -1.328116     -5.284983      9.744770
  C      -0.925616     -4.970112     11.120708
  O       0.071542     -5.409970     11.670219
  C      -1.781395     -3.978962     11.893223
  O      -2.603550     -3.242253     11.417347
  C      -2.658143     -5.198349      9.344620
  C      -3.057127     -5.436217      8.029079
  C      -4.444920     -5.540900      7.695712
  O      -4.868051     -5.634249      6.534479
  H      -4.390750     -2.350246      1.076935
  H      -5.427608      3.650377      4.008945
  H      -4.557911      0.340030      5.187852
  H      -3.963338     -1.393052      6.549503
  H      -6.260191     -3.408221      5.765921
  H     -10.345562      0.191964      1.707558
  H      -8.814632     -2.966538      1.620379
  H      -6.441086     -5.541470      1.284149
  H       0.013173     -6.261687      6.781799
  H      -1.514469     -3.960746     12.964347
  H      -3.418124     -4.953102     10.068456
  H      -5.163740     -5.599946      8.522126
  N      -1.984818     -3.887471      4.917396
  H      -1.274851     -4.369227      4.367652
  H      -1.607226     -3.813729      5.860978
  H      -2.022830     -2.935867      4.554951
  N      -4.675078     -6.840147      4.917396
  N      -5.208114     -8.155766      4.955099
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.579372148835
  N      -3.629776     -3.702572      3.283069
  C      -3.329272     -4.357922      2.008569
  C      -2.667052     -5.702651      2.298830
  N      -3.450018     -6.413348      3.343351
  C      -4.699715     -6.989824      2.734523
  C      -5.898076     -6.595561      3.635812
  N      -5.708527     -5.222418      4.077233
  Mo     -3.875507     -4.872471      4.877832
  N      -2.446507     -6.002531      5.772581
  C      -1.656314     -6.921785      4.946159
  C      -2.618488     -7.513938      3.923515
  H      -1.240158     -7.732372      5.555900
  H      -0.821155     -6.399505      4.453172
  H      -3.280256     -8.201589      4.456084
  H      -2.091815     -8.062369      3.130943
  H      -6.859643     -6.728207      3.113929
  H      -5.906728     -7.252879      4.592253
  H      -4.837429     -6.581609      1.727441
  H      -4.620317     -8.077431      2.639496
  H      -2.641230     -3.743099      1.414188
  H      -4.254847     -4.490766      1.427579
  H      -1.651950     -5.530516      2.672540
  H      -2.599081     -6.305145      1.383695
  C      -4.070112     -2.417173      3.224388
  C      -4.430734     -1.798940      2.002925
  C      -4.868760     -0.495836      1.928920
  Cl     -5.341319      0.105817      0.385806
  C      -4.899861      0.341638      3.085974
  C      -5.384310      1.731211      3.043085
  O      -6.172258      2.167122      2.211905
  C      -4.866766      2.719401      4.084977
  O      -3.939648      2.542703      4.840038
  C      -4.516430     -0.234450      4.287221
  C      -4.160674     -1.591047      4.413815
  C      -3.988940     -2.084878      5.732254
  O      -3.957883     -3.326827      6.018595
  C      -6.611340     -4.236771      3.806272
  C      -6.787806     -3.233180      4.791673
  C      -7.590554     -2.129633      4.608298
  Cl     -7.651039     -0.967331      5.882125
  C      -8.324455     -1.954842      3.402783
  C      -9.134227     -0.766107      3.119065
  O      -9.499896      0.060523      3.951707
  C      -9.504028     -0.469579      1.670447
  O      -8.859254     -0.788850      0.698611
  C      -8.248887     -3.005084      2.481030
  C      -7.422205     -4.114187      2.632018
  C      -7.387699     -5.019902      1.469167
  O      -8.305926     -5.174999      0.686344
  C      -2.066678     -5.807333      7.058813
  C      -0.737758     -6.004447      7.493467
  C      -0.351373     -5.751467      8.796280
  Cl      1.318336     -5.936141      9.176299
  C      -1.285902     -5.309001      9.776850
  C      -0.886693     -4.991912     11.158640
  O       0.104664     -5.438309     11.725346
  C      -1.734120     -3.986596     11.932245
  O      -2.550901     -3.233493     11.454160
  C      -2.619990     -5.207786      9.378532
  C      -3.032932     -5.444391      8.065293
  C      -4.428213     -5.526647      7.750378
  O      -4.872030     -5.622173      6.584667
  H      -4.404795     -2.349704      1.073896
  H      -5.422546      3.678718      4.036821
  H      -4.549518      0.354638      5.193542
  H      -3.958045     -1.370952      6.561178
  H      -6.328947     -3.376701      5.763154
  H     -10.401931      0.179289      1.599903
  H      -8.836282     -2.961456      1.572467
  H      -6.421547     -5.530203      1.288840
  H       0.028400     -6.309837      6.793376
  H      -1.466299     -3.972003     13.008745
  H      -3.376244     -4.950407     10.108514
  H      -5.139554     -5.572356      8.587449
  N      -1.941321     -3.890498      4.927404
  H      -1.232259     -4.376878      4.375872
  H      -1.556818     -3.816677      5.873853
  H      -1.972250     -2.936333      4.561791
  N      -4.691496     -6.871928      4.956721
  N      -5.204978     -8.182481      5.020902
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.633116168131
  N      -3.634069     -3.703641      3.272657
  C      -3.334130     -4.364690      1.998847
  C      -2.659842     -5.706354      2.283877
  N      -3.436463     -6.423698      3.330847
  C      -4.704940     -6.992434      2.716030
  C      -5.916495     -6.589682      3.617623
  N      -5.736246     -5.212246      4.065587
  Mo     -3.877040     -4.880435      4.890948
  N      -2.433373     -6.025441      5.796388
  C      -1.644650     -6.939441      4.949079
  C      -2.592994     -7.527956      3.911519
  H      -1.224402     -7.754723      5.551551
  H      -0.809721     -6.406391      4.460811
  H      -3.246123     -8.225295      4.436857
  H      -2.061916     -8.065878      3.112763
  H      -6.882148     -6.714285      3.089918
  H      -5.919072     -7.268458      4.617400
  H      -4.838427     -6.576578      1.709971
  H      -4.627980     -8.081707      2.616595
  H      -2.649616     -3.746108      1.400878
  H      -4.261194     -4.504026      1.418926
  H      -1.642504     -5.533573      2.653878
  H      -2.593230     -6.306578      1.365374
  C      -4.076541     -2.415290      3.218993
  C      -4.438989     -1.798464      1.995208
  C      -4.878065     -0.493082      1.919988
  Cl     -5.348945      0.096942      0.369297
  C      -4.908935      0.348031      3.076704
  C      -5.393409      1.740081      3.042581
  O      -6.185669      2.186738      2.216768
  C      -4.875761      2.734662      4.085311
  O      -3.941868      2.564923      4.841434
  C      -4.522896     -0.230271      4.280463
  C      -4.166393     -1.587113      4.411680
  C      -3.996529     -2.071624      5.738675
  O      -3.963330     -3.320680      6.042354
  C      -6.641262     -4.223750      3.789733
  C      -6.827577     -3.222125      4.779409
  C      -7.632683     -2.119453      4.592648
  Cl     -7.698360     -0.965607      5.878729
  C      -8.360131     -1.939200      3.379258
  C      -9.173558     -0.753001      3.085433
  O      -9.556777      0.078443      3.911773
  C      -9.534880     -0.448046      1.632115
  O      -8.879265     -0.757335      0.657805
  C      -8.273119     -2.988744      2.453372
  C      -7.443722     -4.099174      2.607404
  C      -7.390712     -5.005022      1.444892
  O      -8.302420     -5.165038      0.644997
  C      -2.054661     -5.830967      7.083879
  C      -0.723760     -6.037927      7.516957
  C      -0.331668     -5.783334      8.820377
  Cl      1.341893     -5.984398      9.185122
  C      -1.257841     -5.327556      9.805880
  C      -0.859111     -5.008058     11.189323
  O       0.129006     -5.460253     11.766562
  C      -1.694217     -3.990476     11.967433
  O      -2.506762     -3.222462     11.492246
  C      -2.594124     -5.214300      9.406713
  C      -3.016551     -5.451949      8.095305
  C      -4.416655     -5.514781      7.796144
  O      -4.879285     -5.615299      6.629344
  H      -4.412669     -2.354834      1.065582
  H      -5.437987      3.694162      4.035765
  H      -4.556125      0.362033      5.188321
  H      -3.968168     -1.351618      6.563519
  H      -6.372849     -3.368624      5.754548
  H     -10.436814      0.201015      1.560250
  H      -8.853650     -2.942796      1.537509
  H      -6.417157     -5.512096      1.276243
  H       0.039209     -6.353287      6.812610
  H      -1.420490     -3.979807     13.046070
  H      -3.347753     -4.945245     10.139825
  H      -5.121481     -5.546608      8.641263
  N      -1.902184     -3.887914      4.937754
  H      -1.191096     -4.375359      4.387076
  H      -1.515102     -3.812430      5.886186
  H      -1.931341     -2.932717      4.568508
  N      -4.702054     -6.912140      4.988565
  N      -5.179077     -8.194332      5.073312
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.678633669771
  N      -3.640074     -3.703964      3.263955
  C      -3.341385     -4.369538      1.991859
  C      -2.656976     -5.707209      2.272765
  N      -3.426105     -6.431021      3.321540
  C      -4.710890     -6.991507      2.703144
  C      -5.933347     -6.582136      3.600914
  N      -5.761136     -5.203473      4.055042
  Mo     -3.879667     -4.886802      4.903211
  N      -2.423488     -6.045053      5.817451
  C      -1.636540     -6.951434      4.952125
  C      -2.572279     -7.536094      3.900886
  H      -1.211982     -7.771018      5.547145
  H      -0.802374     -6.407939      4.469911
  H      -3.217943     -8.243803      4.418826
  H      -2.036616     -8.063055      3.096802
  H      -6.900204     -6.699193      3.067846
  H      -5.928391     -7.275071      4.636480
  H      -4.839017     -6.568609      1.698569
  H      -4.635747     -8.081798      2.600159
  H      -2.660807     -3.747673      1.390385
  H      -4.269355     -4.515331      1.413002
  H      -1.637734     -5.533511      2.639137
  H      -2.591986     -6.305464      1.351589
  C      -4.083431     -2.414990      3.214548
  C      -4.446835     -1.799419      1.988985
  C      -4.885857     -0.492526      1.912932
  Cl     -5.354408      0.089799      0.356672
  C      -4.916483      0.350772      3.068606
  C      -5.400007      1.743696      3.042062
  O      -6.194818      2.199609      2.221282
  C      -4.882067      2.742202      4.085764
  O      -3.944066      2.577716      4.841558
  C      -4.528985     -0.229035      4.273855
  C      -4.172496     -1.585827      4.408999
  C      -4.004946     -2.061237      5.741699
  O      -3.969463     -3.312493      6.062546
  C      -6.665394     -4.214249      3.775431
  C      -6.859462     -3.215461      4.769225
  C      -7.666181     -2.114008      4.579856
  Cl     -7.737320     -0.967078      5.875880
  C      -8.387396     -1.928709      3.360693
  C      -9.202962     -0.745801      3.058938
  O      -9.600696      0.088575      3.879081
  C      -9.557098     -0.433614      1.602582
  O      -8.893675     -0.733514      0.627661
  C      -8.290795     -2.976113      2.430716
  C      -7.459963     -4.087151      2.586507
  C      -7.390141     -4.991982      1.424753
  O      -8.293559     -5.155209      0.611027
  C      -2.046024     -5.852430      7.103638
  C      -0.714192     -6.070029      7.535804
  C      -0.317447     -5.813967      8.838544
  Cl      1.358587     -6.030830      9.192227
  C      -1.235650     -5.344517      9.827384
  C      -0.838831     -5.023134     11.211001
  O       0.143599     -5.480881     11.798031
  C      -1.662795     -3.993989     11.990507
  O      -2.468089     -3.214125     11.516415
  C      -2.572040     -5.218303      9.427794
  C      -3.002914     -5.456923      8.118421
  C      -4.405847     -5.499736      7.834730
  O      -4.886991     -5.605324      6.672068
  H      -4.420105     -2.360520      1.059717
  H      -5.448914      3.701511      4.035155
  H      -4.562439      0.366201      5.182293
  H      -3.978887     -1.335760      6.562348
  H      -6.407897     -3.365257      5.746707
  H     -10.461640      0.215553      1.530354
  H      -8.864898     -2.926824      1.508878
  H      -6.410957     -5.496224      1.266820
  H       0.044852     -6.395399      6.828532
  H      -1.385912     -3.986306     13.070619
  H      -3.322179     -4.937116     10.163169
  H      -5.103338     -5.517188      8.687646
  N      -1.868338     -3.882820      4.947619
  H      -1.155001     -4.370414      4.398524
  H      -1.480601     -3.805309      5.897221
  H      -1.898241     -2.927817      4.574584
  N      -4.710485     -6.950510      5.020721
  N      -5.142734     -8.192038      5.121459
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.720122108130
  N      -3.646708     -3.706406      3.256131
  C      -3.348417     -4.375081      1.986273
  C      -2.655393     -5.707863      2.264507
  N      -3.417179     -6.437810      3.314323
  C      -4.716661     -6.991275      2.693163
  C      -5.950337     -6.577166      3.583363
  N      -5.783552     -5.198961      4.043794
  Mo     -3.883292     -4.893877      4.913335
  N      -2.415729     -6.061140      5.835998
  C      -1.629424     -6.958294      4.955580
  C      -2.553360     -7.540805      3.891783
  H      -1.199674     -7.781149      5.543503
  H      -0.796812     -6.404323      4.479903
  H      -3.191224     -8.259095      4.402056
  H      -2.012273     -8.056791      3.083644
  H      -6.915683     -6.687850      3.043670
  H      -5.938247     -7.273664      4.645149
  H      -4.838472     -6.562641      1.690039
  H      -4.641817     -8.082154      2.587799
  H      -2.671716     -3.750167      1.381867
  H      -4.276488     -4.527223      1.407833
  H      -1.634853     -5.532504      2.628164
  H      -2.591170     -6.304727      1.341430
  C      -4.090788     -2.418087      3.209584
  C      -4.453619     -1.803562      1.982187
  C      -4.892175     -0.495830      1.905017
  Cl     -5.356546      0.081712      0.344267
  C      -4.924119      0.348882      3.059364
  C      -5.406834      1.741752      3.038054
  O      -6.202114      2.204512      2.220421
  C      -4.890032      2.743556      4.083002
  O      -3.950374      2.583998      4.838881
  C      -4.537058     -0.231737      4.265928
  C      -4.180617     -1.588324      4.404699
  C      -4.016428     -2.055599      5.741317
  O      -3.977992     -3.305847      6.077721
  C      -6.684662     -4.208885      3.762014
  C      -6.883266     -3.213716      4.760745
  C      -7.689665     -2.112165      4.571260
  Cl     -7.764351     -0.972204      5.876539
  C      -8.405748     -1.919667      3.348933
  C      -9.221264     -0.738404      3.044349
  O      -9.628418      0.096516      3.861335
  C      -9.571160     -0.416313      1.586973
  O      -8.904205     -0.706274      0.610513
  C      -8.302907     -2.963282      2.413580
  C      -7.472924     -4.075846      2.568012
  C      -7.391193     -4.976666      1.404775
  O      -8.287075     -5.138426      0.580434
  C      -2.039145     -5.870527      7.120247
  C      -0.707001     -6.097135      7.552821
  C      -0.307258     -5.839304      8.854482
  Cl      1.370221     -6.068730      9.201936
  C      -1.218895     -5.357825      9.845056
  C      -0.824296     -5.034828     11.228231
  O       0.152692     -5.497369     11.823097
  C      -1.638944     -3.995857     12.007768
  O      -2.436918     -3.206558     11.534544
  C      -2.554330     -5.220462      9.444569
  C      -2.991738     -5.460427      8.136850
  C      -4.396412     -5.485951      7.866383
  O      -4.894696     -5.596762      6.710131
  H      -4.425396     -2.368524      1.053749
  H      -5.460696      3.702239      4.030245
  H      -4.571899      0.366001      5.174347
  H      -3.993455     -1.325172      6.558065
  H      -6.433847     -3.368439      5.739367
  H     -10.476702      0.234413      1.518096
  H      -8.871731     -2.908309      1.487398
  H      -6.408693     -5.479537      1.253962
  H       0.048679     -6.431146      6.843953
  H      -1.359658     -3.990616     13.088829
  H      -3.301355     -4.928612     10.181115
  H      -5.086558     -5.490370      8.726491
  N      -1.840632     -3.877162      4.956439
  H      -1.124642     -4.364266      4.409604
  H      -1.454007     -3.797171      5.907075
  H      -1.872830     -2.923070      4.579564
  N      -4.716283     -6.985392      5.051215
  N      -5.098457     -8.179435      5.164699
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.758730391226
  N      -3.653137     -3.710316      3.249423
  C      -3.354418     -4.380584      1.982014
  C      -2.654656     -5.708337      2.259008
  N      -3.409755     -6.444126      3.309109
  C      -4.723029     -6.991821      2.685504
  C      -5.969126     -6.574952      3.565401
  N      -5.804841     -5.197603      4.032291
  Mo     -3.887581     -4.900534      4.921966
  N      -2.408857     -6.074138      5.853251
  C      -1.622512     -6.960953      4.959603
  C      -2.535998     -7.542998      3.884014
  H      -1.186645     -7.786386      5.540407
  H      -0.792288     -6.396726      4.490238
  H      -3.165204     -8.272132      4.386363
  H      -1.988895     -8.048160      3.072930
  H      -6.930510     -6.679994      3.018430
  H      -5.953485     -7.266167      4.641882
  H      -4.837872     -6.558104      1.684065
  H      -4.647366     -8.082980      2.578125
  H      -2.681130     -3.753110      1.375128
  H      -4.281872     -4.538561      1.403193
  H      -1.633402     -5.531090      2.621010
  H      -2.590410     -6.304415      1.334635
  C      -4.098012     -2.423439      3.204611
  C      -4.458845     -1.809640      1.975176
  C      -4.896943     -0.501674      1.896456
  Cl     -5.355430      0.073313      0.331744
  C      -4.931960      0.343772      3.049472
  C      -5.414402      1.735859      3.031497
  O      -6.208513      2.203588      2.215223
  C      -4.900448      2.740511      4.078268
  O      -3.961052      2.585745      4.835071
  C      -4.547045     -0.237202      4.257437
  C      -4.190470     -1.593424      4.399821
  C      -4.031032     -2.053370      5.739580
  O      -3.989274     -3.300216      6.090561
  C      -6.700979     -4.206333      3.749421
  C      -6.901710     -3.214595      4.753029
  C      -7.706032     -2.111850      4.564612
  Cl     -7.782663     -0.978190      5.877952
  C      -8.417727     -1.910934      3.340685
  C      -9.231238     -0.729993      3.036051
  O      -9.644030      0.104587      3.851488
  C      -9.578448     -0.397384      1.578670
  O      -8.910678     -0.678370      0.600402
  C      -8.311350     -2.949992      2.399788
  C      -7.484172     -4.065135      2.551290
  C      -7.394712     -4.960133      1.385283
  O      -8.283790     -5.117189      0.552410
  C      -2.032258     -5.886052      7.135221
  C      -0.700085     -6.120042      7.568855
  C      -0.298442     -5.860466      8.869379
  Cl      1.379786     -6.099745      9.213712
  C      -1.204321     -5.368860      9.860572
  C      -0.811285     -5.044699     11.242901
  O       0.161280     -5.511639     11.843504
  C      -1.617880     -3.997798     12.021874
  O      -2.409506     -3.200905     11.549805
  C      -2.538566     -5.222079      9.458743
  C      -2.981085     -5.463496      8.152497
  C      -4.387556     -5.474363      7.893451
  O      -4.902033     -5.590295      6.744936
  H      -4.427884     -2.377667      1.047796
  H      -5.474570      3.698125      4.022453
  H      -4.584649      0.362611      5.165462
  H      -4.012268     -1.317952      6.552333
  H      -6.453811     -3.374905      5.732012
  H     -10.483613      0.256106      1.514890
  H      -8.875629     -2.887939      1.470356
  H      -6.410742     -5.463650      1.239346
  H       0.052756     -6.461191      6.859183
  H      -1.336136     -3.994636     13.103338
  H      -3.282912     -4.921153     10.195749
  H      -5.070019     -5.466796      8.760577
  N      -1.818531     -3.870138      4.965341
  H      -1.099557     -4.356062      4.421114
  H      -1.434435     -3.787577      5.917009
  H      -1.854256     -2.917298      4.584982
  N      -4.723295     -7.017618      5.078611
  N      -5.053450     -8.163123      5.203551
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.792940507225
  N      -3.659595     -3.713969      3.244494
  C      -3.359738     -4.384629      1.979849
  C      -2.654933     -5.707497      2.256859
  N      -3.403693     -6.449584      3.306305
  C      -4.728939     -6.992469      2.680749
  C      -5.987674     -6.575145      3.548093
  N      -5.823740     -5.198673      4.021540
  Mo     -3.892495     -4.905147      4.929642
  N      -2.404226     -6.084938      5.869191
  C      -1.617007     -6.960393      4.964439
  C      -2.520680     -7.542661      3.877384
  H      -1.174690     -7.788237      5.537785
  H      -0.789462     -6.386239      4.501958
  H      -3.141063     -8.283376      4.370857
  H      -1.966715     -8.036842      3.064454
  H      -6.943114     -6.674362      2.993795
  H      -5.975973     -7.256742      4.626541
  H      -4.835647     -6.553242      1.681583
  H      -4.652296     -8.083658      2.570609
  H      -2.689484     -3.755031      1.370827
  H      -4.285832     -4.548117      1.399741
  H      -1.633541     -5.528179      2.618235
  H      -2.589830     -6.303180      1.331603
  C      -4.105426     -2.429090      3.200107
  C      -4.462734     -1.815911      1.968292
  C      -4.900529     -0.508284      1.887252
  Cl     -5.351253      0.065977      0.318821
  C      -4.940642      0.337413      3.038743
  C      -5.423555      1.727911      3.021973
  O      -6.214881      2.198738      2.204898
  C      -4.914537      2.735189      4.071030
  O      -3.977139      2.585515      4.829965
  C      -4.559684     -0.243409      4.248405
  C      -4.202707     -1.599036      4.394680
  C      -4.049705     -2.052362      5.737033
  O      -4.004071     -3.293693      6.102075
  C      -6.713263     -4.206135      3.738155
  C      -6.914052     -3.217037      4.745934
  C      -7.715044     -2.112599      4.558920
  Cl     -7.792527     -0.983464      5.878284
  C      -8.423226     -1.903243      3.334551
  C      -9.233301     -0.721826      3.031630
  O      -9.648474      0.112096      3.846629
  C      -9.579175     -0.379198      1.574961
  O      -8.912704     -0.652466      0.594678
  C      -8.315578     -2.937480      2.388734
  C      -7.492437     -4.055966      2.536715
  C      -7.398317     -4.944275      1.367656
  O      -8.280843     -5.094938      0.527405
  C      -2.027060     -5.900331      7.148706
  C      -0.695158     -6.141628      7.583243
  C      -0.291700     -5.880730      8.882424
  Cl      1.386503     -6.129455      9.225667
  C      -1.191419     -5.379621      9.873304
  C      -0.797965     -5.055366     11.254067
  O       0.170679     -5.527488     11.857771
  C      -1.595436     -4.001064     12.033134
  O      -2.380558     -3.197099     11.563273
  C      -2.524541     -5.223231      9.470083
  C      -2.971559     -5.465903      8.165587
  C      -4.380251     -5.462506      7.916633
  O      -4.909944     -5.583395      6.777141
  H      -4.427654     -2.386442      1.042306
  H      -5.491924      3.691195      4.010845
  H      -4.601682      0.358173      5.155605
  H      -4.036666     -1.311624      6.545441
  H      -6.466718     -3.382663      5.724566
  H     -10.482694      0.278044      1.517486
  H      -8.875890     -2.867811      1.456976
  H      -6.414128     -5.449957      1.225427
  H       0.054603     -6.489427      6.873149
  H      -1.310214     -4.000157     13.114198
  H      -3.266020     -4.913601     10.207062
  H      -5.054481     -5.442313      8.790738
  N      -1.801700     -3.859607      4.975340
  H      -1.079071     -4.343401      4.434286
  H      -1.421740     -3.774121      5.928071
  H      -1.842725     -2.908450      4.591660
  N      -4.731397     -7.051293      5.104407
  N      -5.014215     -8.156019      5.240884
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.822663550959
  N      -3.666847     -3.716157      3.241864
  C      -3.365722     -4.386585      1.980165
  C      -2.657106     -5.704684      2.257970
  N      -3.399248     -6.453879      3.306096
  C      -4.733497     -6.992172      2.679787
  C      -6.003311     -6.576189      3.532402
  N      -5.838473     -5.201783      4.012669
  Mo     -3.898032     -4.907161      4.936803
  N      -2.403343     -6.094019      5.883054
  C      -1.614246     -6.957064      4.969768
  C      -2.508069     -7.539494      3.871718
  H      -1.165507     -7.787379      5.535232
  H      -0.789158     -6.373286      4.515408
  H      -3.120320     -8.292836      4.354759
  H      -1.946040     -8.022201      3.057913
  H      -6.951436     -6.668393      2.970366
  H      -6.004652     -7.248416      4.601183
  H      -4.830500     -6.546348      1.683557
  H      -4.656809     -8.083152      2.565508
  H      -2.698459     -3.755201      1.369095
  H      -4.289957     -4.555379      1.398171
  H      -1.635971     -5.523005      2.619293
  H      -2.590525     -6.300183      1.332115
  C      -4.113521     -2.433341      3.196469
  C      -4.466013     -1.820935      1.961945
  C      -4.903303     -0.513942      1.877719
  Cl     -5.344578      0.060852      0.305772
  C      -4.949944      0.331971      3.027368
  C      -5.433800      1.720339      3.009795
  O      -6.220972      2.192660      2.189949
  C      -4.931168      2.730055      4.061266
  O      -3.996890      2.585576      4.823243
  C      -4.574424     -0.248127      4.239014
  C      -4.217133     -1.603053      4.389401
  C      -4.071853     -2.050601      5.733616
  O      -4.021779     -3.285121      6.111689
  C      -6.720685     -4.207914      3.728855
  C      -6.920677     -3.220792      4.739912
  C      -7.718159     -2.114835      4.554052
  Cl     -7.796947     -0.988354      5.877259
  C      -8.423210     -1.898063      3.329792
  C      -9.229603     -0.716015      3.029429
  O      -9.645263      0.116812      3.844737
  C      -9.574831     -0.364469      1.573813
  O      -8.910427     -0.630915      0.591687
  C      -8.314958     -2.927425      2.379769
  C      -7.495992     -4.049198      2.524578
  C      -7.397845     -4.930615      1.352587
  O      -8.273323     -5.074548      0.505074
  C      -2.025075     -5.914051      7.160328
  C      -0.693867     -6.164344      7.594947
  C      -0.287596     -5.902917      8.892401
  Cl      1.389933     -6.162821      9.235173
  C      -1.179940     -5.391497      9.882668
  C      -0.783902     -5.068621     11.261262
  O       0.180586     -5.547658     11.865878
  C      -1.570126     -4.006320     12.041110
  O      -2.347607     -3.194762     11.574209
  C      -2.511775     -5.223454      9.478644
  C      -2.963594     -5.466826      8.176292
  C      -4.374510     -5.447590      7.936610
  O      -4.918728     -5.573089      6.807074
  H      -4.426011     -2.393746      1.037779
  H      -5.511444      3.684096      3.995548
  H      -4.621932      0.355095      5.144941
  H      -4.065659     -1.304449      6.537516
  H      -6.473071     -3.390929      5.717688
  H     -10.475954      0.296781      1.523042
  H      -8.871244     -2.850368      1.446092
  H      -6.413887     -5.438789      1.214172
  H       0.051805     -6.519348      6.884399
  H      -1.280520     -4.008152     13.121094
  H      -3.249459     -4.904331     10.215491
  H      -5.039790     -5.412995      8.817683
  N      -1.789470     -3.844749      4.986655
  H      -1.062440     -4.325618      4.449516
  H      -1.415293     -3.755656      5.940552
  H      -1.837725     -2.895850      4.599411
  N      -4.738737     -7.088405      5.131721
  N      -4.987340     -8.170849      5.279953
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.849541152728
  N      -3.674603     -3.716867      3.241449
  C      -3.372551     -4.386846      1.982329
  C      -2.661294     -5.700590      2.261283
  N      -3.396887     -6.457067      3.307957
  C      -4.736565     -6.991149      2.682245
  C      -6.014745     -6.577831      3.519553
  N      -5.848523     -5.206488      4.006561
  Mo     -3.903728     -4.907250      4.943102
  N      -2.405746     -6.101339      5.893853
  C      -1.614279     -6.951978      4.974710
  C      -2.499052     -7.534183      3.867217
  H      -1.159544     -7.784772      5.532275
  H      -0.791116     -6.359609      4.528752
  H      -3.104598     -8.300154      4.338947
  H      -1.928172     -8.005787      3.053397
  H      -6.955381     -6.662587      2.949615
  H      -6.035107     -7.241138      4.568883
  H      -4.823219     -6.538261      1.689064
  H      -4.660748     -8.081677      2.562844
  H      -2.708093     -3.754160      1.369247
  H      -4.294857     -4.560186      1.398274
  H      -1.640606     -5.516413      2.622801
  H      -2.592897     -6.296161      1.335095
  C      -4.121706     -2.435468      3.193923
  C      -4.468815     -1.823941      1.956590
  C      -4.905125     -0.517536      1.868647
  Cl     -5.336262      0.058136      0.293459
  C      -4.958543      0.329030      3.016458
  C      -5.443401      1.715444      2.996917
  O      -6.225875      2.188377      2.173272
  C      -4.947152      2.727016      4.050807
  O      -4.016097      2.586911      4.816102
  C      -4.589069     -0.250004      4.230177
  C      -4.231905     -1.604399      4.384440
  C      -4.094637     -2.047470      5.729852
  O      -4.040107     -3.275289      6.118820
  C      -6.724191     -4.210880      3.722365
  C      -6.924004     -3.225130      4.735787
  C      -7.718664     -2.118142      4.550587
  Cl     -7.799997     -0.993270      5.876141
  C      -8.420541     -1.895485      3.326172
  C      -9.224105     -0.713022      3.027730
  O      -9.640216      0.118691      3.843228
  C      -9.568036     -0.354882      1.572679
  O      -8.904665     -0.615832      0.589541
  C      -8.310939     -2.920400      2.372719
  C      -7.495440     -4.044832      2.515382
  C      -7.392681     -4.919635      1.340467
  O      -8.260843     -5.057314      0.485445
  C      -2.025581     -5.926679      7.169392
  C      -0.695297     -6.187366      7.603343
  C      -0.285207     -5.926134      8.898799
  Cl      1.391297     -6.198530      9.240677
  C      -1.169637     -5.403841      9.888831
  C      -0.769917     -5.083364     11.265308
  O       0.190138     -5.570259     11.869866
  C      -1.544262     -4.012700     12.046008
  O      -2.313499     -3.193388     11.581774
  C      -2.499994     -5.222817      9.484699
  C      -2.956789     -5.466338      8.184600
  C      -4.369679     -5.430788      7.953338
  O      -4.927557     -5.560217      6.833838
  H      -4.424053     -2.398905      1.034405
  H      -5.529706      3.679200      3.979480
  H      -4.642182      0.354701      5.134655
  H      -4.095432     -1.296185      6.529502
  H      -6.475951     -3.398759      5.712607
  H     -10.466902      0.309686      1.527242
  H      -8.862793     -2.836919      1.437068
  H      -6.408871     -5.429982      1.206338
  H       0.045603     -6.549876      6.892199
  H      -1.250406     -4.017478     13.124758
  H      -3.233235     -4.893915     10.221503
  H      -5.025474     -5.381128      8.841344
  N      -1.780762     -3.827648      4.998391
  H      -1.049095     -4.305420      4.465490
  H      -1.413415     -3.734679      5.953694
  H      -1.837369     -2.881330      4.607466
  N      -4.745289     -7.128275      5.160515
  N      -4.972254     -8.206024      5.319243
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.873549632482
  N      -3.682003     -3.715779      3.243255
  C      -3.379730     -4.385506      1.985829
  C      -2.667243     -5.695989      2.266057
  N      -3.397110     -6.459250      3.311606
  C      -4.738211     -6.990308      2.687723
  C      -6.021622     -6.580329      3.511220
  N      -5.854139     -5.211980      4.004396
  Mo     -3.908948     -4.905548      4.948295
  N      -2.410730     -6.107197      5.900788
  C      -1.616594     -6.946625      4.978264
  C      -2.494007     -7.528047      3.864036
  H      -1.156512     -7.781908      5.528194
  H      -0.794651     -6.347388      4.539683
  H      -3.094211     -8.305862      4.324190
  H      -1.913971     -7.989664      3.050840
  H      -6.955866     -6.658322      2.933711
  H      -6.064448     -7.232737      4.532060
  H      -4.815598     -6.530831      1.697133
  H      -4.663673     -8.080213      2.562623
  H      -2.717445     -3.752428      1.370682
  H      -4.300482     -4.561845      1.399840
  H      -1.647057     -5.509502      2.627880
  H      -2.596876     -6.292055      1.339850
  C      -4.128937     -2.434521      3.192781
  C      -4.470717     -1.823975      1.952688
  C      -4.905614     -0.517852      1.860663
  Cl     -5.326883      0.057916      0.282370
  C      -4.965250      0.330218      3.006960
  C      -5.451079      1.715476      2.984986
  O      -6.229058      2.188732      2.157253
  C      -4.960291      2.728165      4.041248
  O      -4.031639      2.591100      4.809731
  C      -4.601696     -0.247631      4.222840
  C      -4.245231     -1.601838      4.380538
  C      -4.115671     -2.042003      5.726995
  O      -4.057216     -3.264759      6.124056
  C      -6.725399     -4.214029      3.719743
  C      -6.926830     -3.228618      4.734127
  C      -7.720028     -2.121367      4.548477
  Cl     -7.805450     -0.997378      5.875163
  C      -8.418436     -1.895143      3.322748
  C      -9.220774     -0.712775      3.023626
  O      -9.638931      0.118786      3.837942
  C      -9.561264     -0.352071      1.567662
  O      -8.896080     -0.609802      0.585118
  C      -8.305714     -2.916963      2.367241
  C      -7.492283     -4.043074      2.509855
  C      -7.383577     -4.912379      1.332318
  O      -8.244449     -5.045221      0.469137
  C      -2.027516     -5.938099      7.175451
  C      -0.698074     -6.209722      7.607845
  C      -0.283171     -5.949457      8.901323
  Cl      1.392273     -6.234956      9.240708
  C      -1.159788     -5.416565      9.892172
  C      -0.755908     -5.099229     11.267236
  O       0.199918     -5.594071     11.871524
  C      -1.519170     -4.020509     12.048884
  O      -2.280620     -3.193609     11.586579
  C      -2.488799     -5.222358      9.488707
  C      -2.950589     -5.465443      8.190733
  C      -4.365324     -5.414599      7.966878
  O      -4.935695     -5.546857      6.856259
  H      -4.422058     -2.401038      1.032307
  H      -5.544545      3.678947      3.965157
  H      -4.659854      0.358356      5.126003
  H      -4.123033     -1.285967      6.522857
  H      -6.478643     -3.404044      5.710341
  H     -10.458725      0.314498      1.524029
  H      -8.852482     -2.829067      1.429114
  H      -6.399444     -5.424416      1.203498
  H       0.037869     -6.579418      6.895743
  H      -1.221714     -4.028296     13.126656
  H      -3.217409     -4.884292     10.225801
  H      -5.011348     -5.350149      8.861762
  N      -1.774410     -3.810200      5.010068
  H      -1.038333     -4.285205      4.481257
  H      -1.414319     -3.713602      5.967190
  H      -1.839662     -2.866405      4.615691
  N      -4.752516     -7.171547      5.190921
  N      -4.966184     -8.249541      5.356418
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.894446295087
  N      -3.689036     -3.713072      3.246359
  C      -3.387044     -4.382953      1.989973
  C      -2.674274     -5.691021      2.271736
  N      -3.399370     -6.460587      3.316453
  C      -4.737529     -6.990615      2.695183
  C      -6.023246     -6.584369      3.506566
  N      -5.855575     -5.218443      4.005392
  Mo     -3.913860     -4.902287      4.951831
  N      -2.418361     -6.111637      5.904087
  C      -1.620444     -6.941031      4.980635
  C      -2.491566     -7.521552      3.862037
  H      -1.155456     -7.778450      5.523603
  H      -0.799189     -6.336278      4.548474
  H      -3.087187     -8.310579      4.310108
  H      -1.901984     -7.973783      3.050020
  H      -6.951808     -6.657186      2.921358
  H      -6.089367     -7.223571      4.493571
  H      -4.807646     -6.526002      1.706509
  H      -4.663736     -8.079831      2.564419
  H      -2.726284     -3.750323      1.372739
  H      -4.306564     -4.560979      1.402224
  H      -1.654731     -5.502106      2.634088
  H      -2.601431     -6.288056      1.345967
  C      -4.135200     -2.431156      3.191990
  C      -4.471420     -1.822152      1.949073
  C      -4.904546     -0.516052      1.852333
  Cl     -5.315953      0.058886      0.270945
  C      -4.970151      0.334275      2.996985
  C      -5.456997      1.718852      2.971424
  O      -6.230235      2.191609      2.138873
  C      -4.971619      2.732722      4.029510
  O      -4.045062      2.598188      4.801236
  C      -4.612725     -0.241922      4.215342
  C      -4.257433     -1.596057      4.376549
  C      -4.135665     -2.034288      5.724021
  O      -4.073722     -3.253686      6.126500
  C      -6.724291     -4.218120      3.720446
  C      -6.928310     -3.233285      4.735347
  C      -7.721158     -2.126211      4.549456
  Cl     -7.811557     -1.003561      5.877077
  C      -8.415991     -1.897303      3.322031
  C      -9.218055     -0.714995      3.021953
  O      -9.638806      0.116067      3.835319
  C      -9.553839     -0.352614      1.564752
  O      -8.884960     -0.607580      0.583750
  C      -8.299088     -2.916322      2.364626
  C      -7.486701     -4.043420      2.507769
  C      -7.371302     -4.906754      1.326977
  O      -8.225121     -5.034429      0.455516
  C      -2.031587     -5.948025      7.178517
  C      -0.703155     -6.230719      7.608975
  C      -0.283147     -5.971942      8.900693
  Cl      1.390963     -6.270621      9.237114
  C      -1.152247     -5.429039      9.892825
  C      -0.743852     -5.115772     11.266997
  O       0.208162     -5.618699     11.870420
  C      -1.496590     -4.029809     12.050131
  O      -2.250810     -3.195449     11.589617
  C      -2.479855     -5.221733      9.490473
  C      -2.946283     -5.463918      8.194342
  C      -4.362420     -5.399057      7.976536
  O      -4.943601     -5.533123      6.873299
  H      -4.419468     -2.401401      1.030441
  H      -5.557072      3.682349      3.948837
  H      -4.675696      0.365368      5.117175
  H      -4.149569     -1.274156      6.516546
  H      -6.479851     -3.409763      5.711055
  H     -10.450258      0.315277      1.521113
  H      -8.840349     -2.824833      1.423777
  H      -6.386870     -5.419990      1.203236
  H       0.028071     -6.607207      6.895974
  H      -1.195916     -4.040845     13.126992
  H      -3.203900     -4.875239     10.227999
  H      -4.999031     -5.320164      8.877610
  N      -1.770443     -3.792711      5.021350
  H      -1.029984     -4.265165      4.496815
  H      -1.418126     -3.692449      5.980537
  H      -1.844348     -2.851472      4.623601
  N      -4.760275     -7.218000      5.223902
  N      -4.965797     -8.294847      5.393505
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7796.133928775056
  N      -3.696056     -3.708941      3.249927
  C      -3.394860     -4.379437      1.994277
  C      -2.682424     -5.685616      2.277786
  N      -3.403629     -6.460976      3.321799
  C      -4.734798     -6.992083      2.703212
  C      -6.020431     -6.589997      3.503628
  N      -5.853336     -5.226003      4.008612
  Mo     -3.918710     -4.897764      4.953380
  N      -2.428324     -6.114343      5.904181
  C      -1.625544     -6.934810      4.981905
  C      -2.491336     -7.514657      3.860854
  H      -1.155948     -7.773697      5.518935
  H      -0.804763     -6.325653      4.555194
  H      -3.083048     -8.314338      4.296451
  H      -1.892198     -7.957701      3.050314
  H      -6.943018     -6.659055      2.909806
  H      -6.109338     -7.216433      4.456948
  H      -4.799727     -6.524085      1.715771
  H      -4.660790     -8.080574      2.567045
  H      -2.735082     -3.747967      1.374972
  H      -4.313445     -4.558117      1.405099
  H      -1.663685     -5.494028      2.640886
  H      -2.606572     -6.283990      1.352935
  C      -4.140744     -2.426106      3.190870
  C      -4.471094     -1.819093      1.945193
  C      -4.901867     -0.512753      1.843401
  Cl     -5.303273      0.061151      0.259146
  C      -4.973084      0.340044      2.986080
  C      -5.460674      1.724094      2.955779
  O      -6.228574      2.195547      2.117662
  C      -4.980911      2.739240      4.015120
  O      -4.056662      2.606848      4.790046
  C      -4.622180     -0.234117      4.207084
  C      -4.268606     -1.588197      4.371859
  C      -4.154675     -2.025179      5.720004
  O      -4.089586     -3.242369      6.125278
  C      -6.720675     -4.223854      3.723841
  C      -6.927785     -3.240734      4.739582
  C      -7.721092     -2.134085      4.554285
  Cl     -7.817365     -1.013816      5.883189
  C      -8.412057     -1.902420      3.325318
  C      -9.214159     -0.719951      3.025625
  O      -9.637306      0.109276      3.839323
  C      -9.544695     -0.354594      1.567769
  O      -8.871308     -0.606039      0.588854
  C      -8.290317     -2.918052      2.365351
  C      -7.478403     -4.045623      2.508630
  C      -7.355684     -4.901769      1.323670
  O      -8.202441     -5.023052      0.444235
  C      -2.037908     -5.955689      7.178558
  C      -0.710861     -6.249193      7.607313
  C      -0.286151     -5.992043      8.897515
  Cl      1.386174     -6.303373      9.231721
  C      -1.148208     -5.439894      9.890719
  C      -0.735240     -5.131630     11.264231
  O       0.213364     -5.642759     11.865898
  C      -1.477959     -4.039732     12.049453
  O      -2.225489     -3.198333     11.591013
  C      -2.474111     -5.219853      9.489570
  C      -2.944490     -5.460899      8.194933
  C      -4.361306     -5.383473      7.981688
  O      -4.951245     -5.518589      6.884562
  H      -4.416454     -2.400388      1.028287
  H      -5.566939      3.687894      3.929998
  H      -4.689707      0.374482      5.107507
  H      -4.175072     -1.262085      6.509907
  H      -6.478958     -3.418224      5.714731
  H     -10.440126      0.314239      1.523636
  H      -8.825704     -2.822850      1.421724
  H      -6.371327     -5.415997      1.204459
  H       0.016201     -6.632083      6.893993
  H      -1.174459     -4.054327     13.125312
  H      -3.193827     -4.865658     10.227402
  H      -4.989535     -5.290556      8.887696
  N      -1.769145     -3.775485      5.031606
  H      -1.024190     -4.245472      4.511776
  H      -1.425118     -3.671240      5.992848
  H      -1.851554     -2.836986      4.630374
  N      -4.767692     -7.267407      5.260929
  N      -4.969578     -8.343702      5.433068
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.927252584985
  N      -3.701694     -3.704248      3.252808
  C      -3.401202     -4.375415      1.997996
  C      -2.689408     -5.679810      2.283531
  N      -3.407073     -6.460708      3.326717
  C      -4.730578     -6.992685      2.711044
  C      -6.015770     -6.594679      3.500423
  N      -5.849996     -5.232474      4.010994
  Mo     -3.922910     -4.892607      4.954202
  N      -2.438137     -6.116650      5.903965
  C      -1.630461     -6.928387      4.983223
  C      -2.490740     -7.507279      3.859555
  H      -1.156588     -7.768758      5.514470
  H      -0.809908     -6.315063      4.562208
  H      -3.078699     -8.317273      4.282441
  H      -1.882064     -7.941228      3.050749
  H      -6.932014     -6.660732      2.897707
  H      -6.125086     -7.207172      4.419636
  H      -4.790540     -6.521705      1.724697
  H      -4.656100     -8.080459      2.569884
  H      -2.742118     -3.745290      1.376750
  H      -4.318754     -4.554557      1.407186
  H      -1.671527     -5.485720      2.647598
  H      -2.610433     -6.279608      1.359673
  C      -4.144624     -2.420392      3.189021
  C      -4.468943     -1.815319      1.940594
  C      -4.897184     -0.508692      1.833745
  Cl     -5.288709      0.064142      0.246703
  C      -4.973850      0.346613      2.974399
  C      -5.461886      1.730226      2.939328
  O      -6.224280      2.200519      2.095649
  C      -4.987558      2.746561      3.999896
  O      -4.065685      2.616125      4.778047
  C      -4.629654     -0.225566      4.198031
  C      -4.278103     -1.579658      4.366388
  C      -4.172368     -2.015435      5.715159
  O      -4.104610     -3.230418      6.123214
  C      -6.716343     -4.228754      3.726760
  C      -6.925138     -3.246578      4.742880
  C      -7.719610     -2.140799      4.558626
  Cl     -7.819614     -1.021670      5.887903
  C      -8.409660     -1.908155      3.329467
  C      -9.213419     -0.726531      3.030685
  O      -9.637813      0.101460      3.844691
  C      -9.541525     -0.359837      1.572425
  O      -8.865149     -0.608348      0.594709
  C      -8.284700     -2.921346      2.367799
  C      -7.471857     -4.048462      2.510335
  C      -7.344240     -4.898682      1.321970
  O      -8.185679     -5.014368      0.436496
  C      -2.044562     -5.963117      7.178439
  C      -0.719256     -6.267861      7.606014
  C      -0.290367     -6.012862      8.894965
  Cl      1.379799     -6.337514      9.227672
  C      -1.145597     -5.451613      9.889004
  C      -0.728778     -5.149095     11.262209
  O       0.215819     -5.668967     11.862455
  C      -1.461776     -4.051710     12.049690
  O      -2.202255     -3.203047     11.593370
  C      -2.469386     -5.218289      9.488472
  C      -2.943210     -5.457669      8.195067
  C      -4.360481     -5.367224      7.985891
  O      -4.958887     -5.503006      6.894767
  H      -4.411713     -2.398684      1.025437
  H      -5.573925      3.694364      3.910287
  H      -4.701696      0.384347      5.097016
  H      -4.199229     -1.249416      6.502405
  H      -6.473995     -3.423977      5.716767
  H     -10.436424      0.309387      1.528702
  H      -8.818667     -2.825069      1.424095
  H      -6.360016     -5.413570      1.205476
  H       0.003783     -6.657210      6.892632
  H      -1.156261     -4.070634     13.124747
  H      -3.184945     -4.856473     10.226379
  H      -4.980357     -5.260273      8.896492
  N      -1.767110     -3.758004      5.041618
  H      -1.017685     -4.225648      4.526661
  H      -1.431578     -3.649894      6.004910
  H      -1.857699     -2.822337      4.636839
  N      -4.775329     -7.315711      5.298450
  N      -4.973113     -8.390529      5.474229
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.939765843624
  N      -3.707573     -3.698516      3.255423
  C      -3.408645     -4.371034      2.001300
  C      -2.697823     -5.674161      2.289021
  N      -3.412969     -6.459686      3.331659
  C      -4.725384     -6.994626      2.718377
  C      -6.008293     -6.600524      3.497566
  N      -5.844144     -5.239939      4.015314
  Mo     -3.926853     -4.886861      4.953069
  N      -2.449219     -6.117731      5.900971
  C      -1.636295     -6.922020      4.983067
  C      -2.492765     -7.500208      3.858850
  H      -1.158452     -7.763173      5.509666
  H      -0.816005     -6.305796      4.566068
  H      -3.077631     -8.319858      4.269334
  H      -1.875305     -7.925246      3.051534
  H      -6.917167     -6.664756      2.884342
  H      -6.137605     -7.203477      4.389667
  H      -4.782739     -6.522831      1.732114
  H      -4.649296     -8.081717      2.572886
  H      -2.749854     -3.743020      1.377868
  H      -4.325671     -4.549784      1.409560
  H      -1.680857     -5.477413      2.654087
  H      -2.615432     -6.275765      1.366610
  C      -4.148283     -2.413506      3.186697
  C      -4.467461     -1.810554      1.935920
  C      -4.893173     -0.503483      1.824357
  Cl     -5.276470      0.068072      0.235083
  C      -4.974248      0.354246      2.962898
  C      -5.462979      1.737380      2.922939
  O      -6.220205      2.205930      2.073877
  C      -4.993866      2.754838      3.984309
  O      -4.073867      2.626198      4.764816
  C      -4.635935     -0.215792      4.188924
  C      -4.286410     -1.569878      4.360459
  C      -4.187951     -2.005178      5.709385
  O      -4.117832     -3.218936      6.117649
  C      -6.710392     -4.235271      3.731908
  C      -6.921805     -3.255470      4.749234
  C      -7.717586     -2.150463      4.566721
  Cl     -7.822594     -1.034169      5.897414
  C      -8.405160     -1.915727      3.336992
  C      -9.209740     -0.734409      3.039624
  O      -9.636110      0.091408      3.854445
  C      -9.532486     -0.365124      1.580957
  O      -8.850781     -0.610292      0.606144
  C      -8.276197     -2.925358      2.372546
  C      -7.462819     -4.052112      2.513925
  C      -7.329100     -4.894380      1.320760
  O      -8.164752     -5.002446      0.429020
  C      -2.052166     -5.968207      7.175512
  C      -0.728833     -6.283264      7.602445
  C      -0.296395     -6.030013      8.890388
  Cl      1.371392     -6.366679      9.222321
  C      -1.145560     -5.460581      9.884918
  C      -0.725447     -5.164126     11.258100
  O       0.215724     -5.692152     11.856430
  C      -1.449935     -4.062725     12.047944
  O      -2.184221     -3.207674     11.593752
  C      -2.467050     -5.215098      9.484826
  C      -2.943487     -5.453013      8.192342
  C      -4.360567     -5.351610      7.985885
  O      -4.965279     -5.487460      6.899407
  H      -4.408875     -2.395685      1.022332
  H      -5.580651      3.701716      3.891316
  H      -4.711789      0.395277      5.086561
  H      -4.220920     -1.237619      6.495053
  H      -6.469232     -3.433367      5.722076
  H     -10.426718      0.304385      1.535546
  H      -8.807082     -2.826259      1.429328
  H      -6.345511     -5.410404      1.206945
  H      -0.008989     -6.678566      6.889738
  H      -1.142951     -4.085774     13.122229
  H      -3.178952     -4.846496     10.222549
  H      -4.973616     -5.231063      8.899636
  N      -1.767228     -3.742112      5.050022
  H      -1.013338     -4.207579      4.540229
  H      -1.440425     -3.629821      6.015286
  H      -1.865520     -2.809356      4.641605
  N      -4.782776     -7.367429      5.342202
  N      -4.978319     -8.441800      5.521251
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.945980724954
  N      -3.713648     -3.685177      3.261523
  C      -3.419796     -4.362131      2.004766
  C      -2.709806     -5.667708      2.289935
  N      -3.426275     -6.455310      3.335071
  C      -4.721654     -7.001847      2.715138
  C      -5.991281     -6.607175      3.500227
  N      -5.817900     -5.243143      4.029929
  Mo     -3.926165     -4.877543      4.943275
  N      -2.465121     -6.109512      5.882697
  C      -1.644114     -6.921127      4.976676
  C      -2.503708     -7.500504      3.862786
  H      -1.167868     -7.759254      5.508463
  H      -0.821517     -6.311100      4.555237
  H      -3.095024     -8.321093      4.268079
  H      -1.883076     -7.925061      3.057133
  H      -6.898621     -6.669885      2.879541
  H      -6.145897     -7.251080      4.438315
  H      -4.785375     -6.532511      1.726426
  H      -4.647474     -8.088544      2.561487
  H      -2.759687     -3.737673      1.379702
  H      -4.339592     -4.535518      1.416653
  H      -1.692765     -5.467034      2.652652
  H      -2.625591     -6.271407      1.370173
  C      -4.149621     -2.398482      3.188022
  C      -4.466841     -1.796733      1.938310
  C      -4.887797     -0.486588      1.826190
  Cl     -5.266779      0.084450      0.237126
  C      -4.966230      0.371044      2.963656
  C      -5.452328      1.756021      2.919921
  O      -6.206775      2.222456      2.068474
  C      -4.982051      2.772350      3.979269
  O      -4.062539      2.639014      4.757271
  C      -4.629962     -0.198521      4.190428
  C      -4.284325     -1.553199      4.360901
  C      -4.184119     -1.995417      5.706743
  O      -4.111982     -3.217998      6.092270
  C      -6.689989     -4.241650      3.744493
  C      -6.908951     -3.267911      4.762704
  C      -7.711555     -2.166169      4.582247
  Cl     -7.826660     -1.057419      5.916219
  C      -8.394097     -1.933349      3.351212
  C      -9.203733     -0.754874      3.056469
  O      -9.635916      0.064535      3.874213
  C      -9.521539     -0.386032      1.598817
  O      -8.831450     -0.628928      0.631400
  C      -8.255656     -2.938915      2.382786
  C      -7.438071     -4.060945      2.524291
  C      -7.296060     -4.895265      1.324617
  O      -8.130280     -4.995739      0.434104
  C      -2.064368     -5.958819      7.158694
  C      -0.743752     -6.276715      7.587709
  C      -0.311676     -6.023800      8.877162
  Cl      1.353539     -6.363442      9.209972
  C      -1.160692     -5.453291      9.870887
  C      -0.739204     -5.160930     11.245483
  O       0.202330     -5.693708     11.840053
  C      -1.461081     -4.061775     12.036233
  O      -2.193937     -3.205378     11.582170
  C      -2.480047     -5.204842      9.471300
  C      -2.953994     -5.441786      8.177073
  C      -4.365159     -5.343082      7.961348
  O      -4.956451     -5.474771      6.865249
  H      -4.412587     -2.379430      1.023143
  H      -5.563929      3.722117      3.889752
  H      -4.703304      0.411788      5.088698
  H      -4.215306     -1.238937      6.501677
  H      -6.459184     -3.443142      5.736740
  H     -10.418522      0.278462      1.543507
  H      -8.777510     -2.835419      1.440702
  H      -6.313081     -5.408986      1.208521
  H      -0.020619     -6.673706      6.879742
  H      -1.156089     -4.084979     13.110590
  H      -3.192371     -4.835840     10.208060
  H      -4.988724     -5.220513      8.866706
  N      -1.782657     -3.740309      5.038208
  H      -1.027153     -4.205938      4.531230
  H      -1.457329     -3.622405      6.003256
  H      -1.883950     -2.809441      4.626049
  N      -4.783145     -7.425409      5.399558
  N      -5.001683     -8.517143      5.576028
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.955392435209
  N      -3.709019     -3.679466      3.253990
  C      -3.414907     -4.360363      1.999013
  C      -2.706262     -5.665121      2.289157
  N      -3.426361     -6.452716      3.333091
  C      -4.709316     -7.005512      2.713416
  C      -5.976384     -6.610456      3.490303
  N      -5.806356     -5.248366      4.028367
  Mo     -3.924864     -4.870592      4.932721
  N      -2.474384     -6.107238      5.875717
  C      -1.647690     -6.917138      4.975456
  C      -2.503899     -7.496071      3.861380
  H      -1.171702     -7.755174      5.507687
  H      -0.823321     -6.307769      4.556358
  H      -3.096212     -8.320889      4.257874
  H      -1.877004     -7.916475      3.057873
  H      -6.876009     -6.673537      2.858518
  H      -6.150881     -7.255891      4.417911
  H      -4.773696     -6.543666      1.720751
  H      -4.631875     -8.092556      2.563092
  H      -2.752964     -3.739479      1.372350
  H      -4.333936     -4.533155      1.409496
  H      -1.691154     -5.462242      2.656104
  H      -2.616367     -6.271500      1.371697
  C      -4.137924     -2.390221      3.174212
  C      -4.444534     -1.789804      1.921413
  C      -4.856282     -0.476955      1.803365
  Cl     -5.218040      0.093354      0.210202
  C      -4.938117      0.383583      2.938425
  C      -5.418452      1.770660      2.888598
  O      -6.163917      2.238777      2.030264
  C      -4.953209      2.785956      3.950953
  O      -4.035998      2.652114      4.731537
  C      -4.614068     -0.185429      4.168834
  C      -4.275892     -1.541325      4.343659
  C      -4.187613     -1.983773      5.690095
  O      -4.119720     -3.206980      6.073581
  C      -6.687569     -4.250194      3.754410
  C      -6.915961     -3.290370      4.783234
  C      -7.729725     -2.194508      4.615779
  Cl     -7.856835     -1.103390      5.962718
  C      -8.413483     -1.954090      3.387017
  C      -9.234346     -0.779857      3.105089
  O      -9.675209      0.025815      3.931746
  C      -9.550981     -0.396392      1.651006
  O      -8.855225     -0.622037      0.683404
  C      -8.265207     -2.947242      2.407162
  C      -7.438083     -4.063682      2.536622
  C      -7.287884     -4.880884      1.325795
  O      -8.117526     -4.970490      0.429992
  C      -2.073378     -5.955366      7.152292
  C      -0.755228     -6.278400      7.585055
  C      -0.324950     -6.025759      8.875342
  Cl      1.338115     -6.371433      9.211667
  C      -1.173831     -5.451320      9.867063
  C      -0.755577     -5.164674     11.243987
  O       0.182923     -5.702086     11.839522
  C      -1.478249     -4.067825     12.036849
  O      -2.210132     -3.209585     11.584349
  C      -2.490797     -5.196578      9.463596
  C      -2.961797     -5.432466      8.168147
  C      -4.371758     -5.328960      7.948051
  O      -4.961209     -5.460471      6.851058
  H      -4.389025     -2.374395      1.007520
  H      -5.536380      3.735026      3.861957
  H      -4.690962      0.426486      5.065731
  H      -4.226419     -1.227683      6.485112
  H      -6.463509     -3.471425      5.754791
  H     -10.457260      0.255713      1.599099
  H      -8.787209     -2.837115      1.465578
  H      -6.304666     -5.393796      1.208684
  H      -0.030828     -6.678556      6.880291
  H      -1.178265     -4.097004     13.112504
  H      -3.203766     -4.824240     10.198019
  H      -4.995984     -5.196392      8.851702
  N      -1.779912     -3.729637      5.041453
  H      -1.019695     -4.193142      4.539749
  H      -1.463329     -3.609293      6.008992
  H      -1.885015     -2.800189      4.627576
  N      -4.787400     -7.473080      5.434968
  N      -5.007043     -8.560797      5.611393
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.964236166636
  N      -3.706142     -3.674200      3.249255
  C      -3.413805     -4.358693      1.995425
  C      -2.704066     -5.661487      2.288604
  N      -3.426738     -6.449669      3.331455
  C      -4.700722     -7.008517      2.715206
  C      -5.963382     -6.613109      3.489176
  N      -5.793053     -5.254975      4.035079
  Mo     -3.920555     -4.865680      4.925335
  N      -2.479924     -6.107988      5.870314
  C      -1.649101     -6.914947      4.973159
  C      -2.503988     -7.492104      3.858647
  H      -1.173291     -7.753466      5.504905
  H      -0.823423     -6.305869      4.556081
  H      -3.097349     -8.320234      4.247345
  H      -1.873354     -7.908001      3.055240
  H      -6.857233     -6.674359      2.849427
  H      -6.153724     -7.260847      4.403181
  H      -4.770085     -6.556179      1.717896
  H      -4.620177     -8.096020      2.569935
  H      -2.753220     -3.740230      1.364900
  H      -4.333665     -4.533235      1.407677
  H      -1.690835     -5.455845      2.659154
  H      -2.609220     -6.269633      1.372780
  C      -4.141750     -2.387131      3.162345
  C      -4.447596     -1.793448      1.906222
  C      -4.866852     -0.483404      1.781395
  Cl     -5.219604      0.080204      0.183725
  C      -4.961691      0.380142      2.913201
  C      -5.452025      1.763666      2.856494
  O      -6.191857      2.225292      1.989837
  C      -5.002178      2.784174      3.920470
  O      -4.078453      2.664692      4.695834
  C      -4.642131     -0.183187      4.147480
  C      -4.293283     -1.535570      4.327591
  C      -4.205734     -1.975383      5.674628
  O      -4.128383     -3.197765      6.057167
  C      -6.678619     -4.256346      3.771513
  C      -6.895693     -3.295847      4.801641
  C      -7.700478     -2.192616      4.637704
  Cl     -7.811560     -1.100105      5.984763
  C      -8.387014     -1.946475      3.411644
  C      -9.200776     -0.765974      3.133436
  O      -9.638706      0.038451      3.962818
  C      -9.514447     -0.376193      1.680361
  O      -8.806849     -0.583595      0.717084
  C      -8.248714     -2.939396      2.429923
  C      -7.429772     -4.062360      2.555639
  C      -7.282497     -4.873950      1.340370
  O      -8.104799     -4.941823      0.435811
  C      -2.078090     -5.956033      7.147220
  C      -0.762039     -6.283985      7.582663
  C      -0.333447     -6.033685      8.874094
  Cl      1.328226     -6.383746      9.212399
  C      -1.182339     -5.458075      9.865275
  C      -0.767508     -5.180727     11.245195
  O       0.168975     -5.723155     11.839623
  C      -1.491326     -4.088907     12.043733
  O      -2.215134     -3.222103     11.594252
  C      -2.497310     -5.197190      9.458583
  C      -2.965346     -5.429387      8.161572
  C      -4.374360     -5.321168      7.937406
  O      -4.961672     -5.450882      6.839319
  H      -4.385049     -2.380456      0.994317
  H      -5.592953      3.728131      3.826805
  H      -4.729073      0.430415      5.042423
  H      -4.256178     -1.219377      6.469154
  H      -6.436625     -3.478037      5.769801
  H     -10.409888      0.291033      1.632426
  H      -8.772857     -2.823914      1.489834
  H      -6.305606     -5.399953      1.226601
  H      -0.036280     -6.685279      6.879993
  H      -1.186144     -4.119990     13.117914
  H      -3.211072     -4.823533     10.191525
  H      -4.999710     -5.182661      8.839519
  N      -1.773382     -3.720949      5.049588
  H      -1.008335     -4.180685      4.551955
  H      -1.465289     -3.599974      6.019618
  H      -1.882424     -2.791995      4.636127
  N      -4.787889     -7.528981      5.474605
  N      -5.010259     -8.612694      5.650725
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.971466039348
  N      -3.696768     -3.668587      3.236854
  C      -3.407657     -4.359518      1.985597
  C      -2.699079     -5.660979      2.284486
  N      -3.425767     -6.445876      3.327668
  C      -4.692939     -7.009050      2.714851
  C      -5.951485     -6.610974      3.486454
  N      -5.780612     -5.256546      4.038013
  Mo     -3.914030     -4.857091      4.913405
  N      -2.485075     -6.105304      5.864258
  C      -1.651206     -6.912247      4.971538
  C      -2.505190     -7.488513      3.856867
  H      -1.177548     -7.750879      5.505131
  H      -0.823290     -6.305333      4.555792
  H      -3.101427     -8.317011      4.240924
  H      -1.872342     -7.903341      3.054351
  H      -6.840499     -6.670798      2.840474
  H      -6.154299     -7.260022      4.388820
  H      -4.766250     -6.567621      1.712433
  H      -4.610590     -8.097349      2.577095
  H      -2.747115     -3.745862      1.350302
  H      -4.328732     -4.535320      1.400105
  H      -1.687424     -5.453940      2.658444
  H      -2.600622     -6.272608      1.371340
  C      -4.129451     -2.380649      3.141922
  C      -4.427788     -1.791395      1.881889
  C      -4.841747     -0.480257      1.749301
  Cl     -5.180588      0.078901      0.146974
  C      -4.941981      0.387641      2.877158
  C      -5.429653      1.771770      2.813065
  O      -6.157578      2.234266      1.936912
  C      -4.987718      2.793114      3.879543
  O      -4.070555      2.673368      4.662731
  C      -4.632195     -0.172094      4.115575
  C      -4.286150     -1.524135      4.302254
  C      -4.207231     -1.961207      5.650403
  O      -4.130591     -3.182836      6.033742
  C      -6.675269     -4.260810      3.788468
  C      -6.905437     -3.318674      4.832271
  C      -7.719422     -2.220077      4.681902
  Cl     -7.846652     -1.149423      6.044900
  C      -8.402883     -1.961542      3.456993
  C      -9.225378     -0.784100      3.191980
  O      -9.671410      0.006500      4.030034
  C      -9.524253     -0.370132      1.742445
  O      -8.818728     -0.581628      0.778348
  C      -8.251923     -2.937899      2.460910
  C      -7.423996     -4.055681      2.572864
  C      -7.259747     -4.842291      1.343241
  O      -8.072426     -4.896752      0.429024
  C      -2.084020     -5.951799      7.141495
  C      -0.770787     -6.284995      7.581375
  C      -0.345332     -6.036027      8.874180
  Cl      1.314327     -6.391198      9.216985
  C      -1.195137     -5.458118      9.863240
  C      -0.785617     -5.188855     11.246197
  O       0.149481     -5.733929     11.840513
  C      -1.510549     -4.100202     12.047804
  O      -2.245640     -3.240153     11.603504
  C      -2.507322     -5.190288      9.451445
  C      -2.971054     -5.419549      8.152605
  C      -4.378697     -5.305433      7.922517
  O      -4.962246     -5.433512      6.822561
  H      -4.362483     -2.381775      0.972411
  H      -5.593627      3.728527      3.797430
  H      -4.724242      0.444515      5.008020
  H      -4.266571     -1.204585      6.443731
  H      -6.448669     -3.511197      5.799211
  H     -10.446683      0.258655      1.686184
  H      -8.775700     -2.813667      1.521770
  H      -6.280644     -5.364453      1.230901
  H      -0.043388     -6.688758      6.881874
  H      -1.226080     -4.150156     13.126976
  H      -3.222332     -4.813823     10.181708
  H      -5.006719     -5.161029      8.821897
  N      -1.763235     -3.712274      5.051424
  H      -0.993947     -4.170298      4.558967
  H      -1.463371     -3.589392      6.023574
  H      -1.873801     -2.784251      4.636665
  N      -4.789171     -7.574364      5.509559
  N      -5.014946     -8.653999      5.686761
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.978149756707
  N      -3.685333     -3.663030      3.221371
  C      -3.397340     -4.360621      1.973314
  C      -2.689892     -5.660487      2.279128
  N      -3.421444     -6.441636      3.322214
  C      -4.681496     -7.009907      2.712244
  C      -5.936784     -6.609951      3.481802
  N      -5.766609     -5.259690      4.039389
  Mo     -3.906239     -4.848467      4.898916
  N      -2.489502     -6.101787      5.857560
  C      -1.651201     -6.908144      4.970001
  C      -2.503186     -7.484324      3.854723
  H      -1.179827     -7.746399      5.506291
  H      -0.821260     -6.302863      4.556075
  H      -3.102235     -8.312893      4.234807
  H      -1.867894     -7.898220      3.053431
  H      -6.820931     -6.668641      2.829461
  H      -6.150592     -7.261359      4.372106
  H      -4.758567     -6.580308      1.704558
  H      -4.596312     -8.098998      2.583164
  H      -2.736277     -3.751703      1.333979
  H      -4.318772     -4.538309      1.389044
  H      -1.680352     -5.451742      2.657708
  H      -2.586711     -6.275738      1.368912
  C      -4.115565     -2.374379      3.117909
  C      -4.404547     -1.789341      1.853656
  C      -4.813323     -0.477253      1.712966
  Cl     -5.135624      0.077651      0.105672
  C      -4.921081      0.394776      2.836766
  C      -5.406755      1.779211      2.764857
  O      -6.124456      2.241548      1.880239
  C      -4.980590      2.799907      3.838332
  O      -4.055934      2.691078      4.614390
  C      -4.622603     -0.161442      4.079551
  C      -4.278900     -1.512894      4.273056
  C      -4.210390     -1.947098      5.622335
  O      -4.134105     -3.167843      6.006518
  C      -6.672241     -4.267942      3.806692
  C      -6.916838     -3.347090      4.865669
  C      -7.741779     -2.254413      4.730685
  Cl     -7.886006     -1.208048      6.110697
  C      -8.422121     -1.981914      3.507426
  C      -9.254078     -0.807739      3.257464
  O      -9.715542     -0.037471      4.105943
  C      -9.547678     -0.373390      1.812838
  O      -8.818252     -0.538631      0.857333
  C      -8.259301     -2.940689      2.496513
  C      -7.421298     -4.052266      2.593151
  C      -7.243744     -4.814845      1.350193
  O      -8.049587     -4.857277      0.429190
  C      -2.091039     -5.946615      7.135550
  C      -0.780929     -6.283915      7.581409
  C      -0.360825     -6.036949      8.876408
  Cl      1.296778     -6.395533      9.225699
  C      -1.213609     -5.458522      9.862630
  C      -0.811696     -5.198605     11.249484
  O       0.118603     -5.749812     11.845900
  C      -1.544289     -4.119740     12.057048
  O      -2.266974     -3.248097     11.614852
  C      -2.522736     -5.184971      9.444027
  C      -2.979883     -5.410487      8.142461
  C      -4.385828     -5.291934      7.904067
  O      -4.963214     -5.417565      6.800849
  H      -4.334601     -2.382763      0.946581
  H      -5.586399      3.734666      3.748813
  H      -4.721665      0.457818      4.969443
  H      -4.280607     -1.190072      6.414398
  H      -6.461444     -3.550631      5.830668
  H     -10.461907      0.267829      1.765429
  H      -8.784051     -2.807702      1.559021
  H      -6.264735     -5.337224      1.239103
  H      -0.050513     -6.688746      6.885718
  H      -1.252180     -4.169040     13.134195
  H      -3.240499     -4.807285     10.170875
  H      -5.018579     -5.143516      8.799487
  N      -1.753024     -3.702552      5.053261
  H      -0.978391     -4.158097      4.567088
  H      -1.462732     -3.577334      6.027803
  H      -1.865024     -2.775502      4.637010
  N      -4.788538     -7.622514      5.543356
  N      -5.017274     -8.698755      5.720661
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.984245926124
  N      -3.676382     -3.656317      3.210005
  C      -3.389087     -4.359491      1.964495
  C      -2.682372     -5.657919      2.275438
  N      -3.417751     -6.436131      3.318527
  C      -4.672953     -7.008907      2.713587
  C      -5.923860     -6.607301      3.484930
  N      -5.751517     -5.262137      4.048822
  Mo     -3.896507     -4.840506      4.888530
  N      -2.490689     -6.100270      5.851804
  C      -1.649114     -6.904677      4.966937
  C      -2.500943     -7.479747      3.851980
  H      -1.179084     -7.743054      5.504314
  H      -0.818084     -6.300255      4.554083
  H      -3.102037     -8.308477      4.228976
  H      -1.864957     -7.892064      3.050200
  H      -6.804752     -6.662833      2.827809
  H      -6.146417     -7.262920      4.362852
  H      -4.755798     -6.590726      1.701212
  H      -4.585258     -8.098732      2.592857
  H      -2.728437     -3.754375      1.321074
  H      -4.311083     -4.539448      1.381954
  H      -1.674689     -5.447721      2.658086
  H      -2.575302     -6.275862      1.367434
  C      -4.115724     -2.370962      3.097648
  C      -4.403407     -1.794176      1.829219
  C      -4.822257     -0.486071      1.680217
  Cl     -5.134780      0.060083      0.067823
  C      -4.946582      0.389429      2.799587
  C      -5.444570      1.769092      2.719788
  O      -6.150590      2.226064      1.823060
  C      -5.039626      2.795117      3.796490
  O      -4.116177      2.699630      4.576032
  C      -4.652140     -0.159346      4.046715
  C      -4.294787     -1.506002      4.247376
  C      -4.226421     -1.935322      5.597929
  O      -4.138111     -3.154186      5.983439
  C      -6.663097     -4.270384      3.830873
  C      -6.895233     -3.350351      4.892772
  C      -7.709315     -2.248646      4.762413
  Cl     -7.836425     -1.201594      6.143680
  C      -8.391301     -1.967582      3.542140
  C      -9.212530     -0.784727      3.296124
  O      -9.666964     -0.012709      4.146700
  C      -9.501166     -0.343402      1.852572
  O      -8.771067     -0.511747      0.897887
  C      -8.242554     -2.926568      2.529251
  C      -7.415808     -4.046989      2.621373
  C      -7.248504     -4.808867      1.376528
  O      -8.047008     -4.824805      0.448064
  C      -2.093385     -5.945296      7.130307
  C      -0.785621     -6.286552      7.579954
  C      -0.369711     -6.043888      8.877191
  Cl      1.286630     -6.405051      9.230206
  C      -1.225077     -5.468063      9.862870
  C      -0.830008     -5.220588     11.253845
  O       0.100270     -5.774178     11.848393
  C      -1.566908     -4.150240     12.068649
  O      -2.296635     -3.280544     11.633854
  C      -2.531734     -5.188648      9.439311
  C      -2.983364     -5.407885      8.135010
  C      -4.387846     -5.285432      7.889554
  O      -4.959485     -5.406170      6.782854
  H      -4.323347     -2.390446      0.924844
  H      -5.670328      3.714225      3.717016
  H      -4.763435      0.462099      4.933777
  H      -4.310201     -1.177963      6.388460
  H      -6.432492     -3.555946      5.853756
  H     -10.415499      0.297536      1.803225
  H      -8.770124     -2.786869      1.593595
  H      -6.278823     -5.348735      1.267100
  H      -0.052632     -6.690356      6.886329
  H      -1.288158     -4.216766     13.148474
  H      -3.251746     -4.811635     10.164276
  H      -5.025078     -5.135687      8.781602
  N      -1.740724     -3.693541      5.058732
  H      -0.960750     -4.145610      4.577958
  H      -1.459422     -3.566814      6.035577
  H      -1.854527     -2.766976      4.642059
  N      -4.786982     -7.676424      5.583455
  N      -5.018538     -8.749836      5.759692
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.989603222337
  N      -3.664579     -3.649961      3.194375
  C      -3.380337     -4.361063      1.952340
  C      -2.675091     -5.658160      2.270094
  N      -3.414473     -6.430732      3.314668
  C      -4.666038     -7.007044      2.714964
  C      -5.912348     -6.602692      3.488382
  N      -5.737321     -5.262105      4.056982
  Mo     -3.885865     -4.830533      4.876210
  N      -2.492359     -6.097469      5.846154
  C      -1.648585     -6.901974      4.964806
  C      -2.501298     -7.476279      3.851075
  H      -1.181203     -7.740358      5.504553
  H      -0.815899     -6.299870      4.552173
  H      -3.106378     -8.302539      4.227677
  H      -1.866143     -7.890213      3.049352
  H      -6.790363     -6.655296      2.827519
  H      -6.141974     -7.262326      4.354784
  H      -4.753944     -6.600621      1.697919
  H      -4.576677     -8.097698      2.603990
  H      -2.720157     -3.761544      1.303164
  H      -4.303976     -4.543477      1.373053
  H      -1.668905     -5.446842      2.656004
  H      -2.565428     -6.280194      1.365145
  C      -4.107605     -2.366227      3.072618
  C      -4.391075     -1.796601      1.799859
  C      -4.812999     -0.490374      1.642103
  Cl     -5.114578      0.047853      0.024804
  C      -4.948592      0.389739      2.756437
  C      -5.451524      1.767059      2.668238
  O      -6.146028      2.221549      1.761267
  C      -5.069964      2.794426      3.752215
  O      -4.132142      2.721192      4.517106
  C      -4.660888     -0.152730      4.007973
  C      -4.297159     -1.496253      4.216447
  C      -4.233369     -1.920344      5.568595
  O      -4.138717     -3.137260      5.956605
  C      -6.656509     -4.271900      3.853766
  C      -6.900012     -3.370410      4.928440
  C      -7.717885     -2.269905      4.809552
  Cl     -7.860402     -1.245096      6.206029
  C      -8.393442     -1.973420      3.589744
  C      -9.217611     -0.790271      3.354916
  O      -9.680150     -0.031166      4.212577
  C      -9.487344     -0.324661      1.915323
  O      -8.746548     -0.482387      0.966815
  C      -8.235183     -2.916364      2.563632
  C      -7.403641     -4.034103      2.643378
  C      -7.219239     -4.770384      1.385572
  O      -8.006481     -4.769773      0.447156
  C      -2.097065     -5.942248      7.125263
  C      -0.792123     -6.287845      7.579730
  C      -0.381407     -6.049363      8.879430
  Cl      1.273296     -6.413511      9.237587
  C      -1.239837     -5.475466      9.863721
  C      -0.852452     -5.240177     11.258809
  O       0.075069     -5.798868     11.853230
  C      -1.597181     -4.181860     12.081984
  O      -2.315524     -3.300156     11.652212
  C      -2.543602     -5.189940      9.434214
  C      -2.988728     -5.402848      8.126925
  C      -4.391354     -5.275856      7.873123
  O      -4.955828     -5.391206      6.762244
  H      -4.303799     -2.396350      0.898487
  H      -5.703309      3.710584      3.661227
  H      -4.781276      0.471645      4.891857
  H      -4.329700     -1.162101      6.356892
  H      -6.441577     -3.587605      5.888594
  H     -10.411685      0.301097      1.858936
  H      -8.762703     -2.767623      1.629842
  H      -6.249199     -5.309953      1.278954
  H      -0.056332     -6.691018      6.888703
  H      -1.309844     -4.249894     13.159465
  H      -3.266173     -4.813071     10.156635
  H      -5.034238     -5.125398      8.760960
  N      -1.726638     -3.684985      5.061251
  H      -0.941334     -4.134905      4.587260
  H      -1.454740     -3.555311      6.040207
  H      -1.840775     -2.759433      4.642559
  N      -4.788313     -7.727825      5.625686
  N      -5.022096     -8.798885      5.801000
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.994077049722
  N      -3.651312     -3.645027      3.176002
  C      -3.368022     -4.364445      1.938232
  C      -2.665328     -5.660550      2.264193
  N      -3.409958     -6.426284      3.310091
  C      -4.658513     -7.005265      2.714724
  C      -5.900867     -6.598192      3.490209
  N      -5.723555     -5.261952      4.063109
  Mo     -3.874652     -4.820766      4.862423
  N      -2.493076     -6.094059      5.840233
  C      -1.647680     -6.899923      4.962965
  C      -2.501731     -7.474112      3.851096
  H      -1.183370     -7.737990      5.505918
  H      -0.813224     -6.300800      4.549853
  H      -3.111858     -8.296220      4.229139
  H      -1.868097     -7.891832      3.050063
  H      -6.776394     -6.647974      2.825989
  H      -6.136078     -7.261860      4.346270
  H      -4.750436     -6.609784      1.693534
  H      -4.567733     -8.096664      2.613347
  H      -2.706966     -3.770855      1.284460
  H      -4.292261     -4.549154      1.360598
  H      -1.660814     -5.448583      2.654074
  H      -2.552810     -6.287100      1.362667
  C      -4.096377     -2.362454      3.044592
  C      -4.373335     -1.799386      1.767297
  C      -4.795966     -0.494376      1.600492
  Cl     -5.085181      0.036366     -0.021650
  C      -4.942672      0.390342      2.709616
  C      -5.448237      1.765968      2.613109
  O      -6.123535      2.221775      1.692417
  C      -5.086264      2.794450      3.702777
  O      -4.160980      2.723268      4.483286
  C      -4.663136     -0.146127      3.965599
  C      -4.295537     -1.487042      4.182308
  C      -4.238174     -1.905490      5.536244
  O      -4.138579     -3.120269      5.927638
  C      -6.650742     -4.273772      3.876209
  C      -6.905325     -3.391829      4.963922
  C      -7.728774     -2.293828      4.857689
  Cl     -7.886017     -1.291914      6.269253
  C      -8.399087     -1.981948      3.639147
  C      -9.226360     -0.798576      3.416095
  O      -9.701373     -0.055689      4.281097
  C      -9.485909     -0.313915      1.980903
  O      -8.720002     -0.430009      1.046099
  C      -8.232751     -2.909102      2.600280
  C      -7.395789     -4.023466      2.667048
  C      -7.199947     -4.737899      1.398450
  O      -7.979921     -4.723604      0.453841
  C      -2.099971     -5.937461      7.119789
  C      -0.797545     -6.286049      7.579163
  C      -0.391864     -6.049620      8.880829
  Cl      1.261549     -6.415045      9.244245
  C      -1.253601     -5.476961      9.863110
  C      -0.873785     -5.250546     11.261502
  O       0.054296     -5.808905     11.855629
  C      -1.624421     -4.200082     12.089235
  O      -2.356821     -3.326773     11.665808
  C      -2.554738     -5.186824      9.427713
  C      -2.993580     -5.395514      8.117901
  C      -4.394377     -5.265172      7.855698
  O      -4.951277     -5.376094      6.740555
  H      -4.278855     -2.402698      0.869060
  H      -5.753380      3.688477      3.636305
  H      -4.791944      0.481535      4.846079
  H      -4.346841     -1.145959      6.321745
  H      -6.449804     -3.620513      5.922528
  H     -10.398139      0.329774      1.931820
  H      -8.761086     -2.751691      1.668576
  H      -6.232060     -5.281410      1.293818
  H      -0.058979     -6.688949      6.890921
  H      -1.358557     -4.289052     13.170734
  H      -3.279768     -4.809256     10.147281
  H      -5.043219     -5.114284      8.739068
  N      -1.712231     -3.676959      5.060885
  H      -0.921651     -4.125350      4.594318
  H      -1.449643     -3.543338      6.041703
  H      -1.826175     -2.752798      4.639147
  N      -4.790460     -7.776176      5.665650
  N      -5.025263     -8.845566      5.839774
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7808.998048357963
  N      -3.636603     -3.638258      3.160020
  C      -3.349446     -4.363521      1.926185
  C      -2.650738     -5.659520      2.259809
  N      -3.403072     -6.419823      3.304084
  C      -4.648943     -6.999880      2.709810
  C      -5.888991     -6.592053      3.487386
  N      -5.710095     -5.261413      4.067747
  Mo     -3.863492     -4.811856      4.849682
  N      -2.493827     -6.092679      5.834682
  C      -1.646213     -6.898480      4.960747
  C      -2.501061     -7.471151      3.849622
  H      -1.185138     -7.736855      5.506059
  H      -0.810051     -6.301421      4.548325
  H      -3.117127     -8.288485      4.228753
  H      -1.868937     -7.892770      3.049386
  H      -6.761964     -6.637136      2.819178
  H      -6.129226     -7.262141      4.332022
  H      -4.743119     -6.612553      1.685661
  H      -4.556570     -8.091744      2.615772
  H      -2.685328     -3.774448      1.271373
  H      -4.272134     -4.549462      1.346612
  H      -1.648750     -5.447979      2.656414
  H      -2.533592     -6.288900      1.360783
  C      -4.086227     -2.357939      3.019628
  C      -4.354793     -1.800646      1.737874
  C      -4.781157     -0.497944      1.562478
  Cl     -5.055475      0.025998     -0.064584
  C      -4.943938      0.389819      2.666892
  C      -5.454218      1.762990      2.561977
  O      -6.110189      2.219478      1.627671
  C      -5.123676      2.790364      3.662646
  O      -4.192469      2.739894      4.438064
  C      -4.674943     -0.141726      3.927416
  C      -4.300397     -1.479264      4.151817
  C      -4.250082     -1.893260      5.507314
  O      -4.142138     -3.105903      5.901500
  C      -6.645308     -4.275167      3.899448
  C      -6.898876     -3.405704      4.996743
  C      -7.722137     -2.306069      4.902138
  Cl     -7.878760     -1.318322      6.323912
  C      -8.392934     -1.981395      3.687364
  C      -9.217252     -0.793885      3.474513
  O      -9.693003     -0.058177      4.345133
  C      -9.472152     -0.295791      2.043009
  O      -8.704806     -0.408643      1.108686
  C      -8.230048     -2.899095      2.639695
  C      -7.394807     -4.015329      2.695356
  C      -7.204415     -4.721826      1.421660
  O      -7.978175     -4.685037      0.472249
  C      -2.103809     -5.936008      7.115047
  C      -0.803620     -6.286443      7.579339
  C      -0.403550     -6.052261      8.883128
  Cl      1.249105     -6.416754      9.251716
  C      -1.269477     -5.482193      9.863498
  C      -0.897262     -5.263833     11.265026
  O       0.030379     -5.822716     11.859721
  C      -1.656831     -4.224266     12.098299
  O      -2.387928     -3.347516     11.679422
  C      -2.568491     -5.189465      9.422299
  C      -3.000503     -5.393710      8.109766
  C      -4.399463     -5.261805      7.838425
  O      -4.947409     -5.366886      6.718152
  H      -4.249209     -2.406267      0.842414
  H      -5.801921      3.675502      3.590629
  H      -4.815796      0.487809      4.804790
  H      -4.373592     -1.133398      6.290420
  H      -6.438993     -3.641726      5.951460
  H     -10.390343      0.339220      1.992351
  H      -8.760699     -2.732814      1.710042
  H      -6.242899     -5.275956      1.315491
  H      -0.061710     -6.687515      6.893555
  H      -1.391794     -4.319172     13.179536
  H      -3.296553     -4.812565     10.139130
  H      -5.055353     -5.113266      8.716922
  N      -1.698745     -3.669477      5.065242
  H      -0.902015     -4.115471      4.606893
  H      -1.446812     -3.532730      6.048317
  H      -1.811995     -2.746280      4.641196
  N      -4.795232     -7.827571      5.700452
  N      -5.029585     -8.896537      5.870145
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.001506823372
  N      -3.622362     -3.633808      3.144221
  C      -3.335186     -4.366873      1.914731
  C      -2.640243     -5.662642      2.256273
  N      -3.398773     -6.415495      3.301042
  C      -4.643805     -6.995921      2.708942
  C      -5.881095     -6.585041      3.488443
  N      -5.698137     -5.258912      4.074145
  Mo     -3.852097     -4.803116      4.839472
  N      -2.494216     -6.092656      5.831231
  C      -1.645746     -6.899007      4.959765
  C      -2.503433     -7.470769      3.851225
  H      -1.187246     -7.737384      5.507333
  H      -0.808607     -6.304183      4.546302
  H      -3.125667     -8.281634      4.234480
  H      -1.874924     -7.898527      3.051370
  H      -6.751870     -6.624926      2.817188
  H      -6.125800     -7.260623      4.322803
  H      -4.739688     -6.617051      1.681719
  H      -4.551227     -8.088396      2.623576
  H      -2.669488     -3.783613      1.256271
  H      -4.258329     -4.554503      1.336211
  H      -1.639942     -5.451508      2.657354
  H      -2.520775     -6.295941      1.360246
  C      -4.077438     -2.356325      2.994121
  C      -4.340045     -1.806648      1.707660
  C      -4.772397     -0.507235      1.522716
  Cl     -5.036015      0.007194     -0.109335
  C      -4.951306      0.384539      2.621404
  C      -5.468012      1.754364      2.507297
  O      -6.099917      2.212375      1.557203
  C      -5.169632      2.781985      3.616871
  O      -4.241068      2.748230      4.396771
  C      -4.690630     -0.140316      3.886615
  C      -4.306775     -1.473478      4.119970
  C      -4.261489     -1.880993      5.477496
  O      -4.143948     -3.090652      5.876370
  C      -6.637620     -4.272052      3.919983
  C      -6.897969     -3.419081      5.027965
  C      -7.723292     -2.319771      4.944529
  Cl     -7.893217     -1.354725      6.380552
  C      -8.390074     -1.980189      3.731903
  C      -9.216878     -0.792150      3.531065
  O      -9.699532     -0.069391      4.408656
  C      -9.455442     -0.270043      2.105193
  O      -8.673095     -0.361359      1.180602
  C      -8.219244     -2.881726      2.671720
  C      -7.380533     -3.995866      2.715297
  C      -7.174749     -4.677995      1.430835
  O      -7.937751     -4.624424      0.473210
  C      -2.105877     -5.935388      7.111873
  C      -0.807497     -6.287991      7.579642
  C      -0.411579     -6.055937      8.885031
  Cl      1.240463     -6.420460      9.257288
  C      -1.280561     -5.488207      9.864370
  C      -0.914341     -5.277641     11.268467
  O       0.013751     -5.836633     11.862718
  C      -1.681736     -4.248790     12.107879
  O      -2.408492     -3.365985     11.693935
  C      -2.577876     -5.192710      9.418831
  C      -3.004526     -5.392530      8.104121
  C      -4.401770     -5.258950      7.824896
  O      -4.941272     -5.357785      6.699785
  H      -4.223866     -2.415586      0.815743
  H      -5.873706      3.647324      3.553095
  H      -4.843512      0.491794      4.760206
  H      -4.399976     -1.119891      6.257001
  H      -6.440529     -3.665943      5.980905
  H     -10.376899      0.359932      2.051962
  H      -8.749857     -2.706342      1.744142
  H      -6.212803     -5.231507      1.326296
  H      -0.063407     -6.687887      6.895439
  H      -1.411971     -4.346288     13.187748
  H      -3.308112     -4.816476     10.133786
  H      -5.064243     -5.113497      8.698890
  N      -1.684023     -3.664658      5.069886
  H      -0.881485     -4.109887      4.620968
  H      -1.442729     -3.523176      6.054886
  H      -1.795139     -2.743041      4.641814
  N      -4.807277     -7.878202      5.742451
  N      -5.041324     -8.946575      5.908474
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.004186637322
  N      -3.608920     -3.627513      3.131139
  C      -3.319564     -4.366807      1.905583
  C      -2.629506     -5.663277      2.254109
  N      -3.394787     -6.409481      3.298344
  C      -4.639639     -6.989261      2.707120
  C      -5.874811     -6.576668      3.489010
  N      -5.688511     -5.254987      4.080675
  Mo     -3.841481     -4.793720      4.831381
  N      -2.493299     -6.091837      5.828039
  C      -1.645256     -6.899007      4.957992
  C      -2.506974     -7.469420      3.852788
  H      -1.188950     -7.737587      5.507146
  H      -0.807472     -6.306460      4.542737
  H      -3.135942     -8.272832      4.241341
  H      -1.883169     -7.904447      3.053182
  H      -6.744085     -6.611123      2.815388
  H      -6.122278     -7.258481      4.314257
  H      -4.736570     -6.616550      1.677800
  H      -4.546856     -8.082146      2.628472
  H      -2.650872     -3.788568      1.245689
  H      -4.242076     -4.554829      1.326151
  H      -1.630888     -5.453530      2.660143
  H      -2.507755     -6.299497      1.360410
  C      -4.066854     -2.351982      2.973091
  C      -4.321134     -1.807191      1.682705
  C      -4.755919     -0.509775      1.489925
  Cl     -5.007322     -0.002236     -0.146381
  C      -4.948804      0.384866      2.583991
  C      -5.467573      1.753066      2.462308
  O      -6.077720      2.214707      1.499685
  C      -5.207220      2.776046      3.585553
  O      -4.267366      2.771947      4.352917
  C      -4.698598     -0.136074      3.853121
  C      -4.309204     -1.466137      4.093792
  C      -4.270837     -1.869013      5.452949
  O      -4.145546     -3.076199      5.855840
  C      -6.633230     -4.269078      3.938990
  C      -6.898279     -3.427896      5.054193
  C      -7.727182     -2.330344      4.978893
  Cl     -7.904288     -1.379415      6.423703
  C      -8.392984     -1.981837      3.768433
  C      -9.222194     -0.793961      3.575585
  O      -9.712178     -0.081374      4.457375
  C      -9.457463     -0.260735      2.153218
  O      -8.665764     -0.333011      1.234723
  C      -8.217563     -2.872921      2.700308
  C      -7.375296     -3.984680      2.735770
  C      -7.163185     -4.654875      1.446247
  O      -7.920301     -4.591429      0.484269
  C      -2.105511     -5.934225      7.108645
  C      -0.808154     -6.288301      7.578272
  C      -0.414940     -6.058256      8.884772
  Cl      1.237031     -6.422162      9.258871
  C      -1.286224     -5.493507      9.864069
  C      -0.924525     -5.289527     11.270041
  O       0.007296     -5.844555     11.862414
  C      -1.696942     -4.268141     12.114031
  O      -2.445569     -3.400384     11.707031
  C      -2.582484     -5.195918      9.415898
  C      -3.005399     -5.391607      8.099594
  C      -4.401333     -5.257376      7.814336
  O      -4.933570     -5.350137      6.685066
  H      -4.195310     -2.418309      0.793590
  H      -5.915347      3.636636      3.505739
  H      -4.862257      0.497571      4.723683
  H      -4.423260     -1.107262      6.229315
  H      -6.439496     -3.679990      6.004920
  H     -10.380776      0.366560      2.101426
  H      -8.748914     -2.692149      1.773934
  H      -6.204184     -5.213806      1.344489
  H      -0.062671     -6.686698      6.894629
  H      -1.453283     -4.391355     13.197539
  H      -3.314161     -4.820752     10.129991
  H      -5.069479     -5.116331      8.684652
  N      -1.671003     -3.658680      5.074806
  H      -0.863047     -4.103288      4.635014
  H      -1.439544     -3.512347      6.061401
  H      -1.779941     -2.738713      4.642582
  N      -4.820115     -7.923983      5.780615
  N      -5.052120     -8.992622      5.942072
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.006624107129
  N      -3.595286     -3.620774      3.118590
  C      -3.301801     -4.365719      1.897099
  C      -2.617823     -5.663477      2.252816
  N      -3.391139     -6.403078      3.295455
  C      -4.635852     -6.981365      2.703594
  C      -5.869601     -6.567529      3.487395
  N      -5.680441     -5.250227      4.085183
  Mo     -3.832044     -4.784157      4.823545
  N      -2.493438     -6.091048      5.825170
  C      -1.646259     -6.899609      4.956639
  C      -2.512236     -7.468285      3.854784
  H      -1.192560     -7.738579      5.507412
  H      -0.807547     -6.309717      4.539612
  H      -3.148939     -8.263107      4.249122
  H      -1.893510     -7.911780      3.055904
  H      -6.737373     -6.596428      2.811377
  H      -6.119425     -7.255798      4.304076
  H      -4.732725     -6.613522      1.672633
  H      -4.543016     -8.074568      2.630665
  H      -2.628716     -3.792319      1.237418
  H      -4.222678     -4.553320      1.314993
  H      -1.621168     -5.455814      2.664770
  H      -2.493308     -6.302246      1.361273
  C      -4.054571     -2.346791      2.952895
  C      -4.298064     -1.805699      1.658695
  C      -4.733146     -0.509611      1.458354
  Cl     -4.970177     -0.007846     -0.182052
  C      -4.940267      0.387317      2.548049
  C      -5.458731      1.754687      2.419384
  O      -6.039141      2.224046      1.442145
  C      -5.233760      2.772376      3.554910
  O      -4.303995      2.778815      4.334887
  C      -4.702597     -0.130799      3.820919
  C      -4.309882     -1.458394      4.068680
  C      -4.280401     -1.857330      5.429341
  O      -4.148499     -3.062194      5.836303
  C      -6.630558     -4.265814      3.955194
  C      -6.898635     -3.434532      5.076417
  C      -7.731504     -2.339136      5.008633
  Cl     -7.912222     -1.398978      6.460288
  C      -8.398295     -1.983891      3.800826
  C      -9.230167     -0.796532      3.615217
  O      -9.724964     -0.091928      4.500640
  C      -9.465705     -0.255132      2.195921
  O      -8.671429     -0.317796      1.278822
  C      -8.219838     -2.866298      2.726108
  C      -7.374115     -3.975692      2.754355
  C      -7.159531     -4.637990      1.461382
  O      -7.910212     -4.562039      0.495010
  C      -2.106470     -5.933320      7.105862
  C      -0.810248     -6.289104      7.577465
  C      -0.419912     -6.061468      8.885175
  Cl      1.231851     -6.425187      9.261276
  C      -1.293415     -5.499349      9.864310
  C      -0.935891     -5.301874     11.272112
  O      -0.004456     -5.858182     11.864215
  C      -1.716560     -4.292156     12.122639
  O      -2.456054     -3.414250     11.720540
  C      -2.588656     -5.199860      9.413488
  C      -3.007751     -5.391216      8.095534
  C      -4.402341     -5.256500      7.804215
  O      -4.927137     -5.343080      6.670793
  H      -4.162304     -2.418596      0.772269
  H      -5.968315      3.611442      3.485691
  H      -4.876889      0.504177      4.688522
  H      -4.446812     -1.095097      6.202461
  H      -6.436527     -3.689815      6.024537
  H     -10.395948      0.361748      2.143323
  H      -8.752123     -2.680929      1.800602
  H      -6.201751     -5.198799      1.359971
  H      -0.063428     -6.686050      6.894356
  H      -1.461173     -4.412783     13.203768
  H      -3.321891     -4.826126     10.126734
  H      -5.076270     -5.120502      8.670794
  N      -1.659662     -3.652746      5.080468
  H      -0.846278     -4.097099      4.650445
  H      -1.438388     -3.501328      6.068595
  H      -1.765784     -2.734545      4.643730
  N      -4.835936     -7.967819      5.816114
  N      -5.065088     -9.037111      5.972685
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.008744190325
  N      -3.582794     -3.616185      3.105501
  C      -3.285177     -4.367582      1.888634
  C      -2.606586     -5.666107      2.252263
  N      -3.387475     -6.398379      3.293893
  C      -4.632428     -6.975052      2.700859
  C      -5.864985     -6.560266      3.486504
  N      -5.672858     -5.246311      4.088960
  Mo     -3.822791     -4.775164      4.816541
  N      -2.492435     -6.090037      5.823369
  C      -1.646832     -6.900759      4.956279
  C      -2.518262     -7.468654      3.859129
  H      -1.195139     -7.739630      5.508919
  H      -0.807645     -6.313732      4.536237
  H      -3.163477     -8.252839      4.261556
  H      -1.905936     -7.923035      3.061443
  H      -6.731627     -6.584244      2.808963
  H      -6.116049     -7.255007      4.295663
  H      -4.728636     -6.610835      1.668629
  H      -4.539629     -8.068501      2.632872
  H      -2.608091     -3.799106      1.228767
  H      -4.204529     -4.555547      1.304163
  H      -1.611777     -5.459901      2.669432
  H      -2.479614     -6.307971      1.363248
  C      -4.044658     -2.344349      2.931588
  C      -4.278176     -1.807942      1.633381
  C      -4.715223     -0.513867      1.424872
  Cl     -4.939179     -0.019029     -0.219665
  C      -4.937592      0.385705      2.509495
  C      -5.456984      1.751557      2.372601
  O      -6.004425      2.228354      1.379903
  C      -5.270392      2.765210      3.518469
  O      -4.343346      2.792708      4.301668
  C      -4.712320     -0.128800      3.786238
  C      -4.314571     -1.453195      4.041882
  C      -4.293091     -1.846855      5.404248
  O      -4.152902     -3.048651      5.816564
  C      -6.626495     -4.262135      3.969778
  C      -6.898123     -3.442650      5.098203
  C      -7.735588     -2.349872      5.039852
  Cl     -7.923012     -1.425167      6.500783
  C      -8.403881     -1.986304      3.835561
  C      -9.242554     -0.801933      3.660839
  O      -9.741104     -0.107788      4.552331
  C      -9.470335     -0.242176      2.247265
  O      -8.665211     -0.282281      1.338018
  C      -8.218285     -2.855392      2.751390
  C      -7.367018     -3.960665      2.769623
  C      -7.141007     -4.603736      1.469003
  O      -7.884360     -4.515675      0.497760
  C      -2.105897     -5.931701      7.104013
  C      -0.810501     -6.288834      7.577059
  C      -0.422767     -6.064087      8.885961
  Cl      1.228794     -6.427900      9.263748
  C      -1.298517     -5.505457      9.865395
  C      -0.945152     -5.315130     11.275057
  O      -0.011571     -5.869747     11.865614
  C      -1.731771     -4.314724     12.131262
  O      -2.473214     -3.435856     11.734749
  C      -2.592805     -5.203948      9.412372
  C      -3.008443     -5.390643      8.092862
  C      -4.401823     -5.256156      7.796048
  O      -4.919403     -5.336887      6.658727
  H      -4.131809     -2.422948      0.750078
  H      -6.023615      3.587357      3.447560
  H      -4.897931      0.507682      4.650413
  H      -4.474264     -1.083662      6.173215
  H      -6.434189     -3.703620      6.043805
  H     -10.405244      0.367606      2.194564
  H      -8.750524     -2.663489      1.827155
  H      -6.179047     -5.156591      1.365697
  H      -0.062640     -6.684205      6.894072
  H      -1.478406     -4.443345     13.211992
  H      -3.327525     -4.832255     10.125187
  H      -5.081380     -5.126129      8.659086
  N      -1.649778     -3.646286      5.086004
  H      -0.830629     -4.090919      4.667197
  H      -1.439266     -3.488104      6.075427
  H      -1.752743     -2.730610      4.643139
  N      -4.853661     -8.013242      5.855185
  N      -5.078570     -9.083576      6.007417
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.010478054769
  N      -3.570223     -3.608861      3.096544
  C      -3.268025     -4.365220      1.883618
  C      -2.596701     -5.665795      2.253755
  N      -3.385766     -6.391216      3.293486
  C      -4.631872     -6.963767      2.698213
  C      -5.862997     -6.548416      3.486341
  N      -5.667574     -5.237928      4.093998
  Mo     -3.814119     -4.764387      4.812627
  N      -2.491084     -6.088441      5.822328
  C      -1.649003     -6.902117      4.955408
  C      -2.527420     -7.467732      3.863423
  H      -1.199531     -7.741626      5.508938
  H      -0.809158     -6.318595      4.531860
  H      -3.181804     -8.240216      4.274272
  H      -1.922798     -7.933768      3.066606
  H      -6.729213     -6.566521      2.807927
  H      -6.114683     -7.249591      4.288881
  H      -4.726906     -6.600067      1.665857
  H      -4.540360     -8.057388      2.632191
  H      -2.585548     -3.801362      1.225334
  H      -4.185297     -4.551476      1.295415
  H      -1.603404     -5.462734      2.676085
  H      -2.468162     -6.309817      1.366491
  C      -4.031669     -2.338272      2.915968
  C      -4.254123     -1.804850      1.614452
  C      -4.689676     -0.511578      1.399048
  Cl     -4.900508     -0.022134     -0.249064
  C      -4.924100      0.390221      2.479467
  C      -5.439762      1.756324      2.335837
  O      -5.955555      2.242662      1.330765
  C      -5.295202      2.762095      3.494328
  O      -4.376573      2.805970      4.287042
  C      -4.712407     -0.122500      3.759476
  C      -4.313425     -1.445085      4.021837
  C      -4.300372     -1.834957      5.385624
  O      -4.154348     -3.034383      5.802706
  C      -6.624670     -4.254898      3.981143
  C      -6.900290     -3.441735      5.112585
  C      -7.743452     -2.352850      5.058182
  Cl     -7.936812     -1.435559      6.523201
  C      -8.413969     -1.987868      3.855703
  C      -9.260865     -0.808390      3.686392
  O      -9.769299     -0.124843      4.580361
  C      -9.495404     -0.244773      2.275431
  O      -8.688157     -0.268185      1.367502
  C      -8.222162     -2.850077      2.767130
  C      -7.364979     -3.950911      2.781579
  C      -7.132669     -4.587912      1.479202
  O      -7.877230     -4.506613      0.508139
  C      -2.103616     -5.930712      7.102626
  C      -0.808739     -6.290432      7.575345
  C      -0.421810     -6.069643      8.885055
  Cl      1.229609     -6.435269      9.262462
  C      -1.298091     -5.514008      9.865979
  C      -0.946779     -5.330995     11.276957
  O      -0.012423     -5.886600     11.865530
  C      -1.738493     -4.340443     12.140074
  O      -2.479603     -3.458394     11.750021
  C      -2.591740     -5.209371      9.412632
  C      -3.005869     -5.390601      8.092052
  C      -4.398348     -5.255198      7.791881
  O      -4.910550     -5.329432      6.651583
  H      -4.099102     -2.421614      0.733833
  H      -6.068288      3.565518      3.423235
  H      -4.906909      0.515420      4.620690
  H      -4.493591     -1.070980      6.150964
  H      -6.434263     -3.703189      6.056908
  H     -10.441322      0.347764      2.222512
  H      -8.755239     -2.657376      1.843292
  H      -6.175169     -5.149550      1.381959
  H      -0.061089     -6.684525      6.891311
  H      -1.484854     -4.476644     13.219841
  H      -3.326705     -4.839417     10.126124
  H      -5.082025     -5.130974      8.652460
  N      -1.640244     -3.639764      5.092569
  H      -0.816508     -4.085740      4.684152
  H      -1.439147     -3.475409      6.082943
  H      -1.739118     -2.726437      4.643856
  N      -4.874353     -8.051842      5.891709
  N      -5.095195     -9.123178      6.039350
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.012010440028
  N      -3.557737     -3.605194      3.085421
  C      -3.249812     -4.367244      1.877258
  C      -2.585486     -5.669310      2.255312
  N      -3.383201     -6.387147      3.293173
  C      -4.630011     -6.955492      2.694640
  C      -5.860294     -6.539584      3.484249
  N      -5.662475     -5.231803      4.096201
  Mo     -3.805933     -4.755456      4.807553
  N      -2.489882     -6.087297      5.821775
  C      -1.651149     -6.904843      4.955960
  C      -2.536262     -7.469275      3.869360
  H      -1.203898     -7.744411      5.511238
  H      -0.810602     -6.325160      4.528592
  H      -3.199980     -8.229091      4.289475
  H      -1.939346     -7.948161      3.074378
  H      -6.726002     -6.552824      2.805090
  H      -6.112239     -7.246622      4.281085
  H      -4.722817     -6.591636      1.662297
  H      -4.539832     -8.049264      2.630116
  H      -2.561677     -3.808096      1.220844
  H      -4.164402     -4.552571      1.284691
  H      -1.593943     -5.468764      2.682963
  H      -2.454835     -6.316157      1.370372
  C      -4.019051     -2.335932      2.897427
  C      -4.230928     -1.806250      1.592413
  C      -4.666276     -0.514279      1.369581
  Cl     -4.866029     -0.031319     -0.282000
  C      -4.913279      0.390098      2.445164
  C      -5.427028      1.755584      2.293964
  O      -5.909280      2.250703      1.276428
  C      -5.324075      2.755347      3.461669
  O      -4.412644      2.819259      4.261704
  C      -4.714180     -0.119820      3.728435
  C      -4.313220     -1.440143      3.998215
  C      -4.308967     -1.825129      5.363507
  O      -4.157199     -3.021668      5.786386
  C      -6.622747     -4.249749      3.992162
  C      -6.904172     -3.448544      5.130189
  C      -7.754824     -2.364796      5.084374
  Cl     -7.956382     -1.462154      6.557514
  C      -8.426751     -1.993509      3.884785
  C      -9.283639     -0.819851      3.725365
  O      -9.801481     -0.150207      4.624317
  C      -9.516028     -0.241705      2.319894
  O      -8.699108     -0.238170      1.420091
  C      -8.225590     -2.842359      2.787581
  C      -7.361271     -3.937561      2.793555
  C      -7.118734     -4.558424      1.485359
  O      -7.847422     -4.450759      0.504754
  C      -2.102077     -5.929127      7.101797
  C      -0.807766     -6.290741      7.574868
  C      -0.422109     -6.072922      8.885335
  Cl      1.229051     -6.439874      9.263273
  C      -1.299371     -5.519700      9.867005
  C      -0.950576     -5.342710     11.279228
  O      -0.015079     -5.898014     11.866392
  C      -1.746777     -4.360140     12.147558
  O      -2.488391     -3.476262     11.762646
  C      -2.592251     -5.212489      9.412727
  C      -3.004472     -5.389401      8.091116
  C      -4.395993     -5.253598      7.787167
  O      -4.902504     -5.322461      6.643953
  H      -4.067258     -2.425188      0.714879
  H      -6.115853      3.539977      3.387224
  H      -4.918006      0.519810      4.586247
  H      -4.514704     -1.059879      6.124383
  H      -6.436906     -3.714750      6.072524
  H     -10.469602      0.338420      2.266971
  H      -8.757806     -2.644138      1.864171
  H      -6.147294     -5.093943      1.381052
  H      -0.060086     -6.683935      6.890275
  H      -1.495096     -4.504043     13.226818
  H      -3.327744     -4.843864     10.126383
  H      -5.083997     -5.134766      8.645008
  N      -1.632401     -3.634165      5.097580
  H      -0.803944     -4.081991      4.700706
  H      -1.441228     -3.462374      6.088671
  H      -1.726806     -2.723814      4.641794
  N      -4.896796     -8.090896      5.928529
  N      -5.112937     -9.163455      6.072375
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.013427949367
  N      -3.543802     -3.600930      3.074217
  C      -3.227620     -4.367779      1.870991
  C      -2.570937     -5.671515      2.257150
  N      -3.378663     -6.382175      3.291736
  C      -4.625873     -6.945143      2.687771
  C      -5.856087     -6.529713      3.478295
  N      -5.656746     -5.224795      4.095372
  Mo     -3.797384     -4.746122      4.802015
  N      -2.488268     -6.085805      5.821162
  C      -1.652751     -6.907352      4.956581
  C      -2.544136     -7.470201      3.874673
  H      -1.208018     -7.747158      5.513557
  H      -0.811212     -6.331546      4.525947
  H      -3.217590     -8.216724      4.303800
  H      -1.954856     -7.962326      3.082106
  H      -6.721153     -6.537873      2.798203
  H      -6.108112     -7.243148      4.269437
  H      -4.715242     -6.578851      1.656175
  H      -4.537251     -8.038979      2.622595
  H      -2.532691     -3.812638      1.218328
  H      -4.138207     -4.551885      1.272046
  H      -1.581613     -5.473771      2.691202
  H      -2.437243     -6.320733      1.374344
  C      -4.005851     -2.333326      2.878792
  C      -4.206553     -1.807262      1.570310
  C      -4.643813     -0.517348      1.340022
  Cl     -4.832332     -0.040829     -0.314924
  C      -4.906083      0.388769      2.410672
  C      -5.420696      1.752481      2.251718
  O      -5.865921      2.256682      1.221618
  C      -5.360993      2.746988      3.426410
  O      -4.457715      2.833363      4.234004
  C      -4.719532     -0.118249      3.697070
  C      -4.314836     -1.435702      3.974363
  C      -4.319926     -1.815883      5.340996
  O      -4.161531     -3.009310      5.769851
  C      -6.619871     -4.243733      4.001675
  C      -6.902475     -3.452839      5.146129
  C      -7.759257     -2.373265      5.110033
  Cl     -7.963516     -1.483389      6.590672
  C      -8.435263     -1.996078      3.914711
  C      -9.301678     -0.827979      3.766416
  O      -9.823233     -0.169469      4.671288
  C      -9.527384     -0.230948      2.367713
  O      -8.699497     -0.201062      1.478080
  C      -8.228429     -2.832341      2.809076
  C      -7.358499     -3.922903      2.805464
  C      -7.109664     -4.529445      1.491755
  O      -7.840664     -4.424000      0.512525
  C      -2.100903     -5.927687      7.101219
  C      -0.807322     -6.291251      7.575096
  C      -0.423575     -6.077018      8.886587
  Cl      1.227117     -6.445467      9.265758
  C      -1.302351     -5.526673      9.868798
  C      -0.956714     -5.356224     11.282491
  O      -0.019924     -5.910892     11.868291
  C      -1.756759     -4.380708     12.155535
  O      -2.496500     -3.493283     11.775222
  C      -2.594239     -5.216765      9.413146
  C      -3.003980     -5.388875      8.090257
  C      -4.394431     -5.252759      7.782040
  O      -4.894755     -5.315947      6.635766
  H      -4.032635     -2.427938      0.695953
  H      -6.172375      3.510803      3.347317
  H      -4.934346      0.522571      4.551322
  H      -4.539336     -1.049653      6.097146
  H      -6.431081     -3.723062      6.085324
  H     -10.487790      0.337669      2.313125
  H      -8.761408     -2.628342      1.887127
  H      -6.140430     -5.068951      1.388200
  H      -0.059313     -6.683206      6.890055
  H      -1.505731     -4.530869     13.234142
  H      -3.330632     -4.849862     10.126790
  H      -5.087106     -5.139902      8.636898
  N      -1.625566     -3.627562      5.103896
  H      -0.792095     -4.077282      4.719634
  H      -1.445294     -3.448184      6.095724
  H      -1.714881     -2.720318      4.640805
  N      -4.921573     -8.130628      5.963081
  N      -5.132304     -9.204668      6.102649
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.014618370835
  N      -3.530860     -3.595948      3.066879
  C      -3.208874     -4.367133      1.867798
  C      -2.560833     -5.673349      2.260561
  N      -3.377524     -6.376599      3.292756
  C      -4.626428     -6.932458      2.684328
  C      -5.855452     -6.516722      3.476794
  N      -5.653302     -5.214321      4.098145
  Mo     -3.789367     -4.735915      4.800089
  N      -2.486230     -6.084429      5.821830
  C      -1.656246     -6.911100      4.957246
  C      -2.555664     -7.471162      3.880916
  H      -1.214188     -7.751711      5.515163
  H      -0.813602     -6.340150      4.522381
  H      -3.238522     -8.203977      4.319512
  H      -1.975502     -7.976715      3.090119
  H      -6.720772     -6.519668      2.796930
  H      -6.106830     -7.235469      4.263439
  H      -4.712937     -6.562131      1.654108
  H      -4.540804     -8.026391      2.616829
  H      -2.507235     -3.816325      1.218617
  H      -4.116264     -4.548531      1.263262
  H      -1.572786     -5.479571      2.699226
  H      -2.426258     -6.324770      1.379456
  C      -3.991203     -2.329368      2.864953
  C      -4.180570     -1.806450      1.553379
  C      -4.617321     -0.517875      1.316024
  Cl     -4.794048     -0.047355     -0.342181
  C      -4.892140      0.390212      2.382119
  C      -5.404666      1.753267      2.216359
  O      -5.818382      2.266300      1.177325
  C      -5.393710      2.739104      3.399109
  O      -4.503537      2.845777      4.219132
  C      -4.717945     -0.114363      3.671384
  C      -4.311691     -1.429727      3.955854
  C      -4.325008     -1.805449      5.323870
  O      -4.161939     -2.996248      5.758663
  C      -6.618617     -4.234298      4.009146
  C      -6.906178     -3.450957      5.157157
  C      -7.769569     -2.376351      5.125729
  Cl     -7.981649     -1.496350      6.611244
  C      -8.447231     -1.997067      3.932225
  C      -9.323967     -0.835795      3.790474
  O      -9.859881     -0.192629      4.697803
  C      -9.557674     -0.233522      2.395398
  O      -8.726820     -0.180322      1.509726
  C      -8.231937     -2.823820      2.821083
  C      -7.355100     -3.908926      2.812892
  C      -7.096286     -4.505136      1.496405
  O      -7.821324     -4.394833      0.513258
  C      -2.097308     -5.927147      7.101366
  C      -0.804145     -6.294254      7.573997
  C      -0.420004     -6.084342      8.885931
  Cl      1.230254     -6.456538      9.263855
  C      -1.298120     -5.535888      9.870035
  C      -0.953296     -5.372213     11.284604
  O      -0.016516     -5.929020     11.868407
  C      -1.756201     -4.404268     12.163712
  O      -2.494569     -3.513285     11.789204
  C      -2.589313     -5.221736      9.415151
  C      -2.998962     -5.388477      8.091646
  C      -4.388744     -5.250408      7.781765
  O      -4.885326     -5.307569      6.633580
  H      -3.998054     -2.429108      0.682162
  H      -6.225615      3.479864      3.314635
  H      -4.941291      0.528244      4.522160
  H      -4.554964     -1.037857      6.075564
  H      -6.433835     -3.722918      6.095295
  H     -10.530400      0.313615      2.339679
  H      -8.764717     -2.617681      1.899427
  H      -6.123330     -5.038405      1.394821
  H      -0.057389     -6.685802      6.887286
  H      -1.506904     -4.563043     13.241516
  H      -3.325046     -4.855797     10.130003
  H      -5.084145     -5.142353      8.635011
  N      -1.618691     -3.622103      5.110448
  H      -0.781630     -4.074888      4.737545
  H      -1.447438     -3.435512      6.102574
  H      -1.702292     -2.717886      4.640290
  N      -4.949842     -8.164404      6.000259
  N      -5.156194     -9.239271      6.136694
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.015679834776
  N      -3.517846     -3.592244      3.058584
  C      -3.186802     -4.366905      1.863955
  C      -2.547443     -5.675431      2.263799
  N      -3.374362     -6.371770      3.292211
  C      -4.624095     -6.920049      2.677071
  C      -5.853040     -6.505529      3.470637
  N      -5.649874     -5.205467      4.096841
  Mo     -3.782170     -4.726897      4.796757
  N      -2.484317     -6.082860      5.822067
  C      -1.659511     -6.915235      4.958347
  C      -2.565995     -7.472562      3.886741
  H      -1.220741     -7.756580      5.517765
  H      -0.815208     -6.349527      4.519870
  H      -3.258588     -8.191212      4.334286
  H      -1.994378     -7.991886      3.098695
  H      -6.718511     -6.504148      2.790871
  H      -6.103271     -7.229968      4.253263
  H      -4.706593     -6.543611      1.648925
  H      -4.541154     -8.013931      2.605030
  H      -2.477373     -3.819498      1.220357
  H      -4.089266     -4.545840      1.251505
  H      -1.561280     -5.485443      2.708227
  H      -2.410629     -6.328806      1.384415
  C      -3.976599     -2.326471      2.850331
  C      -4.153094     -1.805648      1.535901
  C      -4.589759     -0.518425      1.291982
  Cl     -4.753029     -0.052196     -0.369003
  C      -4.879339      0.390426      2.353685
  C      -5.391306      1.752223      2.181069
  O      -5.766831      2.275413      1.132371
  C      -5.423840      2.731519      3.368118
  O      -4.545720      2.857882      4.198706
  C      -4.718163     -0.112290      3.645447
  C      -4.309970     -1.425480      3.936653
  C      -4.332639     -1.797083      5.305732
  O      -4.164985     -2.985215      5.746362
  C      -6.618146     -4.227407      4.015367
  C      -6.908357     -3.452929      5.168398
  C      -7.779632     -2.384299      5.144702
  Cl     -7.995920     -1.514932      6.635908
  C      -8.461814     -2.002386      3.954740
  C      -9.350564     -0.849104      3.822537
  O      -9.889916     -0.216421      4.735036
  C      -9.583265     -0.232421      2.433627
  O      -8.745067     -0.153795      1.556665
  C      -8.239387     -2.817763      2.836702
  C      -7.355170     -3.896740      2.821066
  C      -7.089343     -4.481408      1.500803
  O      -7.811919     -4.367684      0.516211
  C      -2.094990     -5.926211      7.101428
  C      -0.802440     -6.296277      7.573817
  C      -0.418758     -6.089960      8.886314
  Cl      1.230917     -6.465172      9.264226
  C      -1.296947     -5.543003      9.871443
  C      -0.953639     -5.384943     11.286952
  O      -0.016203     -5.942242     11.869226
  C      -1.757782     -4.421321     12.170010
  O      -2.492943     -3.526129     11.799322
  C      -2.587272     -5.225332      9.416454
  C      -2.996086     -5.387631      8.092200
  C      -4.385168     -5.248259      7.780073
  O      -4.877710     -5.300283      6.629959
  H      -3.960656     -2.429473      0.667653
  H      -6.271530      3.453050      3.275127
  H      -4.951187      0.531445      4.492796
  H      -4.573780     -1.028417      6.052865
  H      -6.432225     -3.726979      6.104067
  H     -10.562809      0.302361      2.377428
  H      -8.772439     -2.607548      1.915764
  H      -6.113803     -5.009967      1.399107
  H      -0.056371     -6.687447      6.886055
  H      -1.509923     -4.586250     13.247263
  H      -3.322890     -4.860204     10.131870
  H      -5.083530     -5.144873      8.631481
  N      -1.614774     -3.615982      5.116880
  H      -0.773834     -4.071513      4.756005
  H      -1.453228     -3.422109      6.109292
  H      -1.692646     -2.714914      4.639600
  N      -4.978524     -8.198643      6.033168
  N      -5.179505     -9.274914      6.166349
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.016595765343
  N      -3.504760     -3.589279      3.051295
  C      -3.165211     -4.367054      1.860832
  C      -2.535013     -5.678151      2.267220
  N      -3.372009     -6.367232      3.292057
  C      -4.622831     -6.906942      2.670312
  C      -5.851252     -6.493453      3.465243
  N      -5.646682     -5.195392      4.095572
  Mo     -3.775086     -4.718138      4.794199
  N      -2.482238     -6.081337      5.822618
  C      -1.663749     -6.920554      4.959833
  C      -2.577793     -7.474358      3.892920
  H      -1.229104     -7.762992      5.520839
  H      -0.817142     -6.361198      4.517650
  H      -3.280352     -8.178208      4.349194
  H      -2.015217     -8.007829      3.107862
  H      -6.717254     -6.488348      2.786164
  H      -6.099949     -7.222744      4.244791
  H      -4.701377     -6.523256      1.644696
  H      -4.543263     -8.000723      2.592394
  H      -2.447855     -3.823051      1.223129
  H      -4.062706     -4.542974      1.240337
  H      -1.550387     -5.492519      2.716718
  H      -2.396819     -6.333552      1.389487
  C      -3.960889     -2.323992      2.836961
  C      -4.124158     -1.805193      1.519836
  C      -4.559853     -0.519097      1.269306
  Cl     -4.709068     -0.056990     -0.394355
  C      -4.863622      0.390559      2.326550
  C      -5.374268      1.751375      2.147044
  O      -5.718359      2.282467      1.091298
  C      -5.456180      2.722215      3.337868
  O      -4.595245      2.867531      4.183583
  C      -4.715835     -0.110363      3.620696
  C      -4.306276     -1.421557      3.918698
  C      -4.337800     -1.788943      5.288817
  O      -4.166462     -2.974540      5.735360
  C      -6.617133     -4.218876      4.020462
  C      -6.909444     -3.452585      5.178178
  C      -7.788044     -2.389696      5.161995
  Cl     -8.008143     -1.530936      6.658785
  C      -8.474679     -2.005290      3.975511
  C      -9.374949     -0.859885      3.852525
  O      -9.924991     -0.242723      4.769103
  C      -9.616122     -0.235249      2.468684
  O      -8.775888     -0.131442      1.596280
  C      -8.245376     -2.809448      2.850805
  C      -7.353729     -3.882167      2.827714
  C      -7.078901     -4.453420      1.503395
  O      -7.798486     -4.336440      0.517006
  C      -2.092228     -5.925633      7.101750
  C      -0.800567     -6.299810      7.573723
  C      -0.416810     -6.097114      8.886626
  Cl      1.231892     -6.477084      9.264338
  C      -1.294293     -5.550405      9.872762
  C      -0.952072     -5.397571     11.289045
  O      -0.015689     -5.957479     11.870465
  C      -1.757366     -4.438044     12.175806
  O      -2.488914     -3.538508     11.808630
  C      -2.583522     -5.228175      9.417948
  C      -2.992081     -5.386173      8.093137
  C      -4.380533     -5.244481      7.779561
  O      -4.870093     -5.291881      6.628064
  H      -3.922180     -2.430331      0.654693
  H      -6.321185      3.421382      3.234708
  H      -4.958173      0.534701      4.464456
  H      -4.588738     -1.018957      6.031386
  H      -6.429930     -3.728876      6.111502
  H     -10.606491      0.279250      2.412761
  H      -8.778586     -2.595054      1.930745
  H      -6.099760     -4.975416      1.401814
  H      -0.055739     -6.691603      6.884887
  H      -1.512556     -4.610095     13.252677
  H      -3.318528     -4.863019     10.134019
  H      -5.081002     -5.144451      8.629650
  N      -1.611150     -3.610797      5.122724
  H      -0.767132     -4.069725      4.773297
  H      -1.458423     -3.409931      6.115193
  H      -1.682893     -2.712844      4.638531
  N      -5.007881     -8.228956      6.065126
  N      -5.204323     -9.306125      6.196049
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.017423041838
  N      -3.493317     -3.585698      3.045834
  C      -3.144451     -4.365519      1.859127
  C      -2.523713     -5.679486      2.271222
  N      -3.370733     -6.361602      3.292163
  C      -4.622702     -6.891889      2.663590
  C      -5.850327     -6.480802      3.460808
  N      -5.644919     -5.184794      4.095573
  Mo     -3.769049     -4.709108      4.792982
  N      -2.480000     -6.079286      5.823266
  C      -1.668873     -6.925782      4.960953
  C      -2.591138     -7.475221      3.898919
  H      -1.238694     -7.769671      5.523236
  H      -0.819729     -6.373394      4.514859
  H      -3.303725     -8.163629      4.363911
  H      -2.038380     -8.023044      3.116807
  H      -6.717472     -6.472516      2.783111
  H      -6.096313     -7.215024      4.237674
  H      -4.697772     -6.499031      1.641360
  H      -4.546456     -7.985379      2.577618
  H      -2.418753     -3.824315      1.228479
  H      -4.036305     -4.537914      1.229644
  H      -1.540496     -5.498741      2.725568
  H      -2.384491     -6.336537      1.394808
  C      -3.945837     -2.320475      2.826243
  C      -4.094591     -1.802620      1.506857
  C      -4.528208     -0.517225      1.250350
  Cl     -4.660952     -0.057574     -0.415604
  C      -4.846717      0.392408      2.303483
  C      -5.355848      1.752354      2.117468
  O      -5.662844      2.293078      1.054900
  C      -5.481582      2.715950      3.309541
  O      -4.637030      2.877866      4.169021
  C      -4.712961     -0.107540      3.599651
  C      -4.302758     -1.417124      3.903831
  C      -4.343178     -1.780951      5.274786
  O      -4.168537     -2.964278      5.726873
  C      -6.618109     -4.210650      4.025092
  C      -6.914595     -3.451091      5.185988
  C      -7.802105     -2.395454      5.174676
  Cl     -8.028411     -1.544764      6.675136
  C      -8.492919     -2.011757      3.990484
  C      -9.407157     -0.876579      3.874864
  O      -9.964423     -0.271935      4.795268
  C      -9.651720     -0.241502      2.496480
  O      -8.806789     -0.110966      1.632301
  C      -8.254782     -2.806237      2.860736
  C      -7.354442     -3.871668      2.833162
  C      -7.069923     -4.433746      1.506974
  O      -7.785033     -4.315321      0.517532
  C      -2.088710     -5.925163      7.102032
  C      -0.797886     -6.304209      7.572813
  C      -0.413214     -6.105545      8.885923
  Cl      1.234458     -6.491225      9.262560
  C      -1.289142     -5.558737      9.873615
  C      -0.947055     -5.411476     11.290474
  O      -0.011156     -5.973938     11.870138
  C      -1.751128     -4.454050     12.180911
  O      -2.477735     -3.549186     11.817150
  C      -2.577373     -5.231347      9.419817
  C      -2.986582     -5.384765      8.094682
  C      -4.374645     -5.240529      7.780877
  O      -4.862457     -5.283484      6.628563
  H      -3.882722     -2.428506      0.644627
  H      -6.359049      3.397289      3.193964
  H      -4.964628      0.538479      4.439980
  H      -4.603327     -1.009893      6.013071
  H      -6.432399     -3.727510      6.117869
  H     -10.650895      0.255502      2.439209
  H      -8.787904     -2.590252      1.940757
  H      -6.086901     -4.949288      1.408120
  H      -0.054895     -6.696911      6.882428
  H      -1.508411     -4.632449     13.257252
  H      -3.311233     -4.866059     10.137031
  H      -5.076291     -5.143515      8.630369
  N      -1.609420     -3.604894      5.128931
  H      -0.762755     -4.067306      4.790448
  H      -1.464910     -3.397366      6.121311
  H      -1.675069     -2.709978      4.638172
  N      -5.037450     -8.258263      6.096952
  N      -5.228753     -9.336413      6.225886
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.018145621727
  N      -3.480565     -3.583849      3.038995
  C      -3.121004     -4.365565      1.856411
  C      -2.510340     -5.682470      2.274645
  N      -3.368178     -6.357107      3.291191
  C      -4.620987     -6.877527      2.655014
  C      -5.848109     -6.468910      3.454043
  N      -5.642154     -5.174615      4.092792
  Mo     -3.762720     -4.701066      4.790295
  N      -2.477973     -6.077387      5.823646
  C      -1.674185     -6.932086      4.962803
  C      -2.603940     -7.476908      3.904796
  H      -1.249594     -7.777515      5.527028
  H      -0.821651     -6.387573      4.513458
  H      -3.326843     -8.149510      4.377687
  H      -2.060595     -8.039236      3.126408
  H      -6.716430     -6.458272      2.777858
  H      -6.091325     -7.207546      4.228855
  H      -4.692001     -6.474801      1.636506
  H      -4.548254     -7.970614      2.560064
  H      -2.386239     -3.827079      1.233957
  H      -4.006193     -4.534367      1.216705
  H      -1.528745     -5.506929      2.734268
  H      -2.369841     -6.341407      1.399771
  C      -3.929506     -2.318581      2.813811
  C      -4.063643     -1.801829      1.492218
  C      -4.495954     -0.517412      1.229494
  Cl     -4.612236     -0.060340     -0.438579
  C      -4.829878      0.392071      2.278139
  C      -5.338557      1.750710      2.085288
  O      -5.615392      2.298288      1.017675
  C      -5.514243      2.705410      3.277390
  O      -4.691015      2.884237      4.154357
  C      -4.710330     -0.106654      3.576189
  C      -4.298789     -1.414298      3.886826
  C      -4.348398     -1.774159      5.258508
  O      -4.170723     -2.955027      5.716427
  C      -6.617603     -4.202438      4.029386
  C      -6.915121     -3.451003      5.195152
  C      -7.810494     -2.401845      5.192029
  Cl     -8.038514     -1.560823      6.697630
  C      -8.507029     -2.016360      4.011817
  C      -9.433656     -0.890307      3.906022
  O      -9.999858     -0.301195      4.830882
  C      -9.685115     -0.245490      2.533548
  O      -8.837859     -0.088643      1.675966
  C      -8.262447     -2.798952      2.875284
  C      -7.354293     -3.857432      2.839651
  C      -7.060403     -4.405016      1.509479
  O      -7.772756     -4.283906      0.518405
  C      -2.086407     -5.924680      7.102343
  C      -0.797035     -6.309194      7.573082
  C      -0.412190     -6.113956      8.886516
  Cl      1.233897     -6.506213      9.263439
  C      -1.286822     -5.565670      9.874764
  C      -0.945721     -5.422968     11.292291
  O      -0.011953     -5.989148     11.871685
  C      -1.749005     -4.466763     12.185017
  O      -2.469887     -3.556551     11.823338
  C      -2.573517     -5.232654      9.420939
  C      -2.982652     -5.382205      8.095331
  C      -4.370131     -5.234920      7.780644
  O      -4.856018     -5.274465      6.627526
  H      -3.841495     -2.428445      0.633130
  H      -6.406045      3.365094      3.147466
  H      -4.972317      0.540178      4.412783
  H      -4.618001     -1.001935      5.992156
  H      -6.428440     -3.729319      6.124230
  H     -10.693591      0.232329      2.475985
  H      -8.795812     -2.578224      1.956286
  H      -6.073090     -4.912442      1.410814
  H      -0.055651     -6.703741      6.881941
  H      -1.510287     -4.651433     13.261220
  H      -3.306485     -4.866286     10.138555
  H      -5.073046     -5.139644      8.629318
  N      -1.608043     -3.599897      5.134038
  H      -0.759028     -4.066194      4.806738
  H      -1.471836     -3.385750      6.126240
  H      -1.667092     -2.708085      4.636719
  N      -5.066629     -8.285748      6.125594
  N      -5.252895     -9.364912      6.253215
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.018810954038
  N      -3.469487     -3.581144      3.034568
  C      -3.099131     -4.363693      1.855585
  C      -2.499095     -5.684044      2.278822
  N      -3.367374     -6.351311      3.290975
  C      -4.621358     -6.860708      2.647460
  C      -5.847356     -6.455677      3.449578
  N      -5.640917     -5.163301      4.092647
  Mo     -3.757271     -4.692592      4.789579
  N      -2.475894     -6.075349      5.824350
  C      -1.680777     -6.938668      4.964257
  C      -2.618810     -7.477667      3.910469
  H      -1.262206     -7.786157      5.529903
  H      -0.824622     -6.402732      4.511454
  H      -3.351818     -8.134225      4.391033
  H      -2.085765     -8.054250      3.135398
  H      -6.717525     -6.442972      2.775684
  H      -6.086685     -7.198755      4.222544
  H      -4.689013     -6.446282      1.633591
  H      -4.552291     -7.953136      2.541457
  H      -2.355000     -3.827533      1.242269
  H      -3.977230     -4.528076      1.205061
  H      -1.518777     -5.514574      2.743156
  H      -2.358216     -6.344475      1.405051
  C      -3.914050     -2.315561      2.804633
  C      -4.032751     -1.799149      1.481268
  C      -4.463117     -0.515487      1.212805
  Cl     -4.560928     -0.059826     -0.457052
  C      -4.812958      0.393168      2.257180
  C      -5.321434      1.750459      2.057825
  O      -5.562483      2.306753      0.985751
  C      -5.541441      2.697315      3.248012
  O      -4.738422      2.890625      4.140820
  C      -4.707737     -0.104882      3.556822
  C      -4.295116     -1.410815      3.873457
  C      -4.353465     -1.767244      5.245762
  O      -4.172842     -2.945895      5.709185
  C      -6.618804     -4.193485      4.033587
  C      -6.920541     -3.448593      5.202347
  C      -7.824728     -2.406936      5.203643
  Cl     -8.058625     -1.573217      6.712350
  C      -8.525248     -2.022638      4.025480
  C      -9.466076     -0.907683      3.926682
  O     -10.042538     -0.333904      4.854686
  C      -9.721924     -0.253148      2.559797
  O      -8.870969     -0.068329      1.711585
  C      -8.271648     -2.795281      2.884145
  C      -7.354617     -3.846038      2.844436
  C      -7.048963     -4.383274      1.512774
  O      -7.755852     -4.261343      0.517939
  C      -2.082986     -5.924800      7.102708
  C      -0.794958     -6.315798      7.572214
  C      -0.408646     -6.124427      8.885639
  Cl      1.235832     -6.524519      9.261429
  C      -1.280698     -5.574149      9.875280
  C      -0.939160     -5.436377     11.293159
  O      -0.007061     -6.006595     11.871184
  C      -1.739262     -4.479786     12.188571
  O      -2.453352     -3.563355     11.829254
  C      -2.566029     -5.234680      9.422679
  C      -2.976420     -5.380007      8.096954
  C      -4.363602     -5.229236      7.782955
  O      -4.849040     -5.265400      6.629665
  H      -3.799954     -2.426051      0.625227
  H      -6.442896      3.340167      3.102034
  H      -4.980069      0.542444      4.389764
  H      -4.631991     -0.994084      5.975051
  H      -6.431455     -3.726935      6.130126
  H     -10.739588      0.204378      2.499393
  H      -8.804768     -2.572985      1.965218
  H      -6.056868     -4.882488      1.418156
  H      -0.056082     -6.712617      6.879615
  H      -1.503474     -4.670261     13.264426
  H      -3.297256     -4.866962     10.141412
  H      -5.066650     -5.135203      8.631702
  N      -1.607888     -3.594762      5.139871
  H      -0.757143     -4.065243      4.823010
  H      -1.479146     -3.374510      6.131782
  H      -1.660184     -2.705864      4.636505
  N      -5.096675     -8.312695      6.155574
  N      -5.277536     -9.392645      6.282166
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.019410154963
  N      -3.456793     -3.579921      3.029187
  C      -3.073982     -4.362967      1.854237
  C      -2.485693     -5.687110      2.282745
  N      -3.365523     -6.346478      3.289687
  C      -4.620406     -6.843858      2.637789
  C      -5.845561     -6.442506      3.442552
  N      -5.638818     -5.152106      4.090185
  Mo     -3.751490     -4.685175      4.787652
  N      -2.474458     -6.074184      5.824856
  C      -1.688135     -6.947009      4.966390
  C      -2.633567     -7.479442      3.915590
  H      -1.276980     -7.796843      5.533968
  H      -0.827372     -6.420628      4.511077
  H      -3.376938     -8.120097      4.402391
  H      -2.110243     -8.069858      3.144305
  H      -6.717536     -6.427986      2.770933
  H      -6.081160     -7.189916      4.213878
  H      -4.683896     -6.416785      1.629087
  H      -4.555381     -7.935419      2.519575
  H      -2.319466     -3.829101      1.251654
  H      -3.943690     -4.522435      1.191335
  H      -1.506938     -5.524438      2.752501
  H      -2.344198     -6.349090      1.410160
  C      -3.897211     -2.313978      2.794245
  C      -4.000259     -1.797904      1.469237
  C      -4.429865     -0.515387      1.194869
  Cl     -4.509277     -0.061150     -0.476520
  C      -4.796754      0.392083      2.234562
  C      -5.306380      1.747497      2.028434
  O      -5.518372      2.310023      0.953216
  C      -5.578738      2.683820      3.215326
  O      -4.802244      2.891698      4.128374
  C      -4.706064     -0.105193      3.535595
  C      -4.291274     -1.408960      3.858455
  C      -4.358759     -1.761698      5.231236
  O      -4.175149     -2.937932      5.700364
  C      -6.618684     -4.184247      4.037786
  C      -6.922625     -3.447451      5.210991
  C      -7.834882     -2.412766      5.219185
  Cl     -8.071920     -1.587929      6.732213
  C      -8.540221     -2.027521      4.044245
  C      -9.494313     -0.923133      3.954376
  O     -10.080042     -0.365581      4.886306
  C      -9.753376     -0.256603      2.594091
  O      -8.898556     -0.044103      1.756234
  C      -8.278993     -2.788018      2.896622
  C      -7.353817     -3.831284      2.850258
  C      -7.036210     -4.354075      1.515780
  O      -7.738283     -4.230079      0.517838
  C      -2.080945     -5.925615      7.103086
  C      -0.794812     -6.323685      7.572277
  C      -0.407408     -6.135151      8.885642
  Cl      1.235024     -6.543727      9.261289
  C      -1.276807     -5.581122      9.875751
  C      -0.935153     -5.446624     11.293893
  O      -0.005871     -6.021422     11.871809
  C      -1.731751     -4.487923     12.190379
  O      -2.438170     -3.565302     11.831849
  C      -2.560381     -5.234936      9.423601
  C      -2.971648     -5.377118      8.097753
  C      -4.358375     -5.222400      7.783930
  O      -4.843187     -5.256105      6.630449
  H      -3.756038     -2.424862      0.616457
  H      -6.491811      3.305353      3.050761
  H      -4.989994      0.542293      4.364581
  H      -4.646899     -0.987681      5.955820
  H      -6.429991     -3.727396      6.136487
  H     -10.778961      0.182454      2.530891
  H      -8.811999     -2.561600      1.978408
  H      -6.038978     -4.843737      1.423960
  H      -0.058413     -6.723871      6.878908
  H      -1.500028     -4.683216     13.266269
  H      -3.289883     -4.864632     10.142796
  H      -5.061621     -5.128379      8.632566
  N      -1.607854     -3.591135      5.145371
  H      -0.755701     -4.066257      4.839202
  H      -1.486778     -3.365066      6.136991
  H      -1.652636     -2.705075      4.636207
  N      -5.128018     -8.339531      6.182649
  N      -5.303317     -9.420483      6.308452
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.019953960857
  N      -3.443850     -3.578551      3.025544
  C      -3.048169     -4.361218      1.854429
  C      -2.472655     -5.689780      2.287327
  N      -3.364336     -6.341187      3.288574
  C      -4.620177     -6.825107      2.627938
  C      -5.844216     -6.427845      3.435732
  N      -5.637040     -5.139825      4.088591
  Mo     -3.745864     -4.678089      4.786816
  N      -2.473606     -6.074052      5.825705
  C      -1.697021     -6.956962      4.968735
  C      -2.649692     -7.481316      3.920102
  H      -1.294429     -7.809763      5.538021
  H      -0.830942     -6.441030      4.511500
  H      -3.403435     -8.106547      4.411744
  H      -2.136036     -8.084631      3.152276
  H      -6.718166     -6.411344      2.766587
  H      -6.075900     -7.179568      4.205307
  H      -4.679298     -6.384051      1.625175
  H      -4.559694     -7.915500      2.495973
  H      -2.282722     -3.829503      1.263781
  H      -3.908848     -4.514669      1.178369
  H      -1.495388     -5.535002      2.762541
  H      -2.331083     -6.352917      1.415544
  C      -3.880223     -2.312276      2.786002
  C      -3.967463     -1.796280      1.459665
  C      -4.397642     -0.515391      1.179464
  Cl     -4.458261     -0.062294     -0.493200
  C      -4.783295      0.390064      2.214281
  C      -5.296820      1.742565      2.001172
  O      -5.474544      2.312801      0.923539
  C      -5.615114      2.669927      3.182915
  O      -4.863026      2.891004      4.113397
  C      -4.706073     -0.106300      3.516573
  C      -4.287760     -1.407492      3.845602
  C      -4.363876     -1.756777      5.218791
  O      -4.176951     -2.930652      5.693441
  C      -6.618626     -4.173740      4.041829
  C      -6.926751     -3.445418      5.219110
  C      -7.847313     -2.418086      5.232858
  Cl     -8.090202     -1.602552      6.749922
  C      -8.555929     -2.032090      4.060188
  C      -9.523634     -0.938921      3.978203
  O     -10.122187     -0.400319      4.912960
  C      -9.787161     -0.261829      2.624190
  O      -8.929509     -0.021229      1.796901
  C      -8.285559     -2.780303      2.906702
  C      -7.351702     -3.815582      2.855053
  C      -7.019674     -4.323873      1.518647
  O      -7.715112     -4.198268      0.516319
  C      -2.078938     -5.927775      7.103661
  C      -0.794874     -6.333850      7.572079
  C      -0.405487     -6.147643      8.885041
  Cl      1.234705     -6.565826      9.259911
  C      -1.271160     -5.588460      9.875742
  C      -0.928296     -5.456252     11.293789
  O      -0.001871     -6.035819     11.871428
  C      -1.719375     -4.493239     12.190712
  O      -2.417153     -3.564078     11.832244
  C      -2.552987     -5.235015      9.424625
  C      -2.966015     -5.374592      8.098974
  C      -4.352406     -5.215366      7.786133
  O      -4.837427     -5.246946      6.632818
  H      -3.710852     -2.422832      0.610258
  H      -6.535309      3.275132      2.998639
  H      -5.002426      0.540884      4.341463
  H      -4.661720     -0.982168      5.938749
  H      -6.432121     -3.727085      6.143046
  H     -10.821242      0.156142      2.556973
  H      -8.818135     -2.550598      1.988978
  H      -6.016647     -4.802890      1.431754
  H      -0.061669     -6.738401      6.877790
  H      -1.491032     -4.692002     13.266701
  H      -3.280082     -4.861203     10.144482
  H      -5.055153     -5.120444      8.635142
  N      -1.607931     -3.588861      5.151980
  H      -0.754980     -4.069075      4.855957
  H      -1.494028     -3.357761      6.143344
  H      -1.644610     -2.705297      4.637753
  N      -5.161428     -8.366188      6.208730
  N      -5.331271     -9.447899      6.333808
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.020469038711
  N      -3.428901     -3.577709      3.022801
  C      -3.019183     -4.359473      1.855803
  C      -2.458293     -5.693259      2.292748
  N      -3.363206     -6.336013      3.287237
  C      -4.619894     -6.804235      2.616732
  C      -5.842701     -6.411143      3.427529
  N      -5.634697     -5.126109      4.086639
  Mo     -3.739642     -4.671631      4.786320
  N      -2.473735     -6.075778      5.826857
  C      -1.708112     -6.969960      4.971737
  C      -2.667784     -7.484247      3.924129
  H      -1.316036     -7.826466      5.542832
  H      -0.835518     -6.466037      4.513428
  H      -3.432686     -8.093827      4.418973
  H      -2.163820     -8.100032      3.159740
  H      -6.718589     -6.392009      2.760815
  H      -6.070842     -7.167361      4.195130
  H      -4.673677     -6.347599      1.620847
  H      -4.564888     -7.893086      2.469249
  H      -2.241682     -3.830120      1.278844
  H      -3.869666     -4.505574      1.165221
  H      -1.482734     -5.547868      2.774139
  H      -2.316861     -6.357325      1.421560
  C      -3.861526     -2.311123      2.778661
  C      -3.932395     -1.794937      1.451256
  C      -4.364915     -0.516295      1.165071
  Cl     -4.406309     -0.064118     -0.508582
  C      -4.771487      0.386269      2.194534
  C      -5.291445      1.734824      1.974051
  O      -5.443103      2.309944      0.894808
  C      -5.667953      2.648609      3.148506
  O      -4.949276      2.883976      4.101839
  C      -4.707738     -0.109199      3.497890
  C      -4.283930     -1.407066      3.833319
  C      -4.368563     -1.752812      5.206824
  O      -4.177858     -2.924168      5.687053
  C      -6.617318     -4.161202      4.045914
  C      -6.930009     -3.441850      5.227356
  C      -7.858597     -2.421721      5.246248
  Cl     -8.108297     -1.615855      6.767292
  C      -8.569660     -2.034552      4.075488
  C      -9.551071     -0.953047      4.001213
  O     -10.159630     -0.431692      4.939123
  C      -9.813342     -0.260907      2.654750
  O      -8.950171      0.008087      1.841988
  C      -8.289552     -2.769747      2.916069
  C      -7.347313     -3.797114      2.859622
  C      -6.999532     -4.290504      1.521837
  O      -7.687000     -4.162913      0.514330
  C      -2.077595     -5.931862      7.104437
  C      -0.796075     -6.347263      7.572053
  C      -0.403947     -6.162391      8.884238
  Cl      1.233587     -6.591716      9.258137
  C      -1.264703     -5.595754      9.875212
  C      -0.919656     -5.464121     11.292767
  O       0.003276     -6.048964     11.870582
  C      -1.703253     -4.494156     12.188897
  O      -2.391244     -3.558227     11.829193
  C      -2.544584     -5.234248      9.425336
  C      -2.960083     -5.372199      8.100200
  C      -4.346114     -5.207496      7.788723
  O      -4.831811     -5.237420      6.635786
  H      -3.661799     -2.420464      0.605477
  H      -6.598632      3.229814      2.941147
  H      -5.018150      0.537061      4.318349
  H      -4.676744     -0.977849      5.921966
  H      -6.434011     -3.725716      6.149931
  H     -10.853666      0.140202      2.581901
  H      -8.821285     -2.536423      1.998716
  H      -5.990531     -4.758477      1.441321
  H      -0.066861     -6.757809      6.877015
  H      -1.478197     -4.694866     13.265224
  H      -3.268530     -4.855357     10.145749
  H      -5.047900     -5.110375      8.638343
  N      -1.607268     -3.588962      5.159846
  H      -0.754132     -4.075100      4.874012
  H      -1.500511     -3.353421      6.151016
  H      -1.634642     -2.707657      4.641082
  N      -5.199134     -8.393744      6.233382
  N      -5.363558     -9.476242      6.357731
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.020927426044
  N      -3.411948     -3.577243      3.020785
  C      -2.987389     -4.357697      1.858177
  C      -2.442148     -5.697080      2.298774
  N      -3.361253     -6.331036      3.285410
  C      -4.618363     -6.782217      2.603995
  C      -5.840224     -6.393264      3.417245
  N      -5.631329     -5.111673      4.083413
  Mo     -3.732823     -4.666003      4.785758
  N      -2.474880     -6.079135      5.828216
  C      -1.720522     -6.985043      4.975423
  C      -2.686117     -7.487837      3.927259
  H      -1.340509     -7.845734      5.548430
  H      -0.840497     -6.493973      4.517281
  H      -3.462519     -8.082427      4.423190
  H      -2.191016     -8.114916      3.166205
  H      -6.717709     -6.371090      2.752580
  H      -6.065528     -7.153920      4.182549
  H      -4.665742     -6.309287      1.615600
  H      -4.569344     -7.869167      2.440121
  H      -2.197383     -3.830777      1.296056
  H      -3.826873     -4.495683      1.152438
  H      -1.468696     -5.561922      2.787129
  H      -2.300619     -6.361769      1.427987
  C      -3.842001     -2.310727      2.771902
  C      -3.896778     -1.794458      1.443618
  C      -4.334479     -0.519136      1.151056
  Cl     -4.356972     -0.068037     -0.523384
  C      -4.764692      0.379444      2.174496
  C      -5.295806      1.722034      1.945791
  O      -5.416855      2.303452      0.865830
  C      -5.723670      2.623718      3.111324
  O      -5.035330      2.873398      4.083434
  C      -4.712587     -0.114408      3.478970
  C      -4.280698     -1.407926      3.821206
  C      -4.373313     -1.750019      5.195017
  O      -4.178054     -2.918655      5.680874
  C      -6.614641     -4.147554      4.049765
  C      -6.931821     -3.439184      5.236470
  C      -7.867900     -2.425944      5.261971
  Cl     -8.124232     -1.632306      6.788247
  C      -8.580811     -2.035210      4.093558
  C      -9.574594     -0.964419      4.027963
  O     -10.196859     -0.464432      4.968335
  C      -9.839910     -0.259760      2.688762
  O      -8.974203      0.036525      1.888190
  C      -8.291392     -2.755524      2.927223
  C      -7.341038     -3.774945      2.864374
  C      -6.976769     -4.249866      1.524493
  O      -7.656364     -4.119209      0.512104
  C      -2.077421     -5.937406      7.105465
  C      -0.798951     -6.362874      7.572750
  C      -0.403908     -6.178246      8.883958
  Cl      1.230537     -6.619646      9.257326
  C      -1.259148     -5.602303      9.874566
  C      -0.911561     -5.469504     11.291381
  O       0.007186     -6.059848     11.870188
  C      -1.686599     -4.490560     12.185276
  O      -2.364156     -3.548090     11.822888
  C      -2.536833     -5.232425      9.425612
  C      -2.954935     -5.369843      8.101153
  C      -4.340507     -5.199063      7.790897
  O      -4.826930     -5.227951      6.638381
  H      -3.610434     -2.418314      0.601837
  H      -6.661088      3.184915      2.880683
  H      -5.038454      0.530367      4.294606
  H      -4.692344     -0.974958      5.905208
  H      -6.434736     -3.727074      6.157295
  H     -10.887173      0.121776      2.610868
  H      -8.822370     -2.516890      2.010811
  H      -5.961531     -4.705587      1.449831
  H      -0.074111     -6.780765      6.877454
  H      -1.464781     -4.691522     13.262234
  H      -3.257309     -4.847222     10.146199
  H      -5.041199     -5.098643      8.641107
  N      -1.605718     -3.591114      5.168870
  H      -0.752893     -4.083639      4.893029
  H      -1.506057     -3.351894      6.159957
  H      -1.622989     -2.711749      4.646298
  N      -5.239043     -8.420895      6.254083
  N      -5.398241     -9.504168      6.377718
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.021362243526
  N      -3.392848     -3.576755      3.020901
  C      -2.952271     -4.355231      1.862965
  C      -2.424659     -5.701032      2.306547
  N      -3.359483     -6.325534      3.283893
  C      -4.616900     -6.756627      2.590175
  C      -5.837683     -6.372246      3.406070
  N      -5.627351     -5.095000      4.080762
  Mo     -3.725222     -4.660779      4.786562
  N      -2.477069     -6.084791      5.830245
  C      -1.735700     -7.003615      4.979840
  C      -2.707018     -7.492237      3.929864
  H      -1.370024     -7.869379      5.554600
  H      -0.847043     -6.527216      4.522781
  H      -3.495853     -8.071559      4.424992
  H      -2.220951     -8.129991      3.171791
  H      -6.716721     -6.346123      2.743405
  H      -6.060463     -7.137679      4.168514
  H      -4.656654     -6.265079      1.610770
  H      -4.574994     -7.841026      2.407392
  H      -2.148777     -3.830974      1.317569
  H      -3.779500     -4.483668      1.140882
  H      -1.453706     -5.577827      2.802756
  H      -2.283181     -6.365903      1.435797
  C      -3.821478     -2.310686      2.767279
  C      -3.859756     -1.794021      1.438445
  C      -4.305561     -0.523166      1.139146
  Cl     -4.308244     -0.072674     -0.535735
  C      -4.762629      0.369905      2.155851
  C      -5.309357      1.704460      1.918128
  O      -5.407518      2.289585      0.837659
  C      -5.798907      2.588911      3.071875
  O      -5.148633      2.854974      4.065773
  C      -4.721349     -0.122085      3.461387
  C      -4.278221     -1.409959      3.810871
  C      -4.377944     -1.748195      5.185035
  O      -4.176901     -2.913792      5.676667
  C      -6.610584     -4.130964      4.053575
  C      -6.933778     -3.433672      5.245018
  C      -7.876731     -2.426808      5.275354
  Cl     -8.142267     -1.645433      6.806284
  C      -8.589331     -2.032140      4.108143
  C      -9.595192     -0.972135      4.049900
  O     -10.228869     -0.491332      4.992477
  C      -9.856467     -0.250086      2.719312
  O      -8.984743      0.074041      1.936117
  C      -8.289443     -2.737709      2.935554
  C      -7.331595     -3.749721      2.868189
  C      -6.949452     -4.207514      1.527542
  O      -7.619074     -4.073310      0.509061
  C      -2.077453     -5.945447      7.106924
  C      -0.802601     -6.382812      7.573466
  C      -0.403381     -6.197673      8.883209
  Cl      1.227366     -6.653498      9.255434
  C      -1.251293     -5.609935      9.873404
  C      -0.899660     -5.474582     11.288973
  O       0.014526     -6.070940     11.868766
  C      -1.663147     -4.483566     12.179550
  O      -2.328857     -3.534173     11.813302
  C      -2.526560     -5.230430      9.425994
  C      -2.948474     -5.368069      8.102678
  C      -4.333622     -5.190031      7.794566
  O      -4.821680     -5.218221      6.642872
  H      -3.554954     -2.415080      0.601127
  H      -6.746187      3.121508      2.815295
  H      -5.064606      0.520346      4.271744
  H      -4.708520     -0.973375      5.890110
  H      -6.437423     -3.726012      6.164870
  H     -10.908506      0.116205      2.633740
  H      -8.818954     -2.494258      2.019693
  H      -5.928307     -4.651754      1.461141
  H      -0.083435     -6.810056      6.877909
  H      -1.443707     -4.682942     13.257287
  H      -3.242458     -4.837311     10.146907
  H      -5.032385     -5.084961      8.645878
  N      -1.603161     -3.595798      5.180371
  H      -0.751418     -4.095769      4.914565
  H      -1.510536     -3.353533      6.171462
  H      -1.608901     -2.718144      4.654591
  N      -5.284342     -8.449567      6.273423
  N      -5.438170     -9.533500      6.396302
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.021769852955
  N      -3.370319     -3.576625      3.021762
  C      -2.911830     -4.352776      1.869271
  C      -2.403436     -5.705376      2.315811
  N      -3.355855     -6.319823      3.281998
  C      -4.612968     -6.728372      2.574132
  C      -5.833190     -6.348827      3.391990
  N      -5.621329     -5.076627      4.076493
  Mo     -3.716042     -4.656028      4.787409
  N      -2.479921     -6.092176      5.832700
  C      -1.752442     -7.024941      4.985375
  C      -2.728338     -7.497290      3.931772
  H      -1.403491     -7.896325      5.562119
  H      -0.853925     -6.564860      4.530804
  H      -3.530499     -8.061365      4.423765
  H      -2.250691     -8.144942      3.176662
  H      -6.713386     -6.318228      2.730884
  H      -6.054199     -7.119360      4.151065
  H      -4.643324     -6.216510      1.605074
  H      -4.578914     -7.809501      2.370462
  H      -2.094083     -3.831317      1.342503
  H      -3.725169     -4.471090      1.129648
  H      -1.435841     -5.595225      2.821372
  H      -2.261269     -6.370175      1.445023
  C      -3.800256     -2.311952      2.762674
  C      -3.822778     -1.795290      1.433358
  C      -4.282268     -0.531217      1.126222
  Cl     -4.265966     -0.081762     -0.548942
  C      -4.771130      0.354188      2.134850
  C      -5.342056      1.676463      1.886278
  O      -5.418919      2.264837      0.805674
  C      -5.893253      2.541626      3.026131
  O      -5.281088      2.827643      4.038659
  C      -4.737641     -0.134391      3.441801
  C      -4.277933     -1.414206      3.799686
  C      -4.383407     -1.747723      5.174407
  O      -4.174486     -2.909519      5.672428
  C      -6.603843     -4.112019      4.057567
  C      -6.932455     -3.428139      5.255082
  C      -7.880377     -2.425979      5.291921
  Cl     -8.154025     -1.659476      6.828820
  C      -8.590863     -2.023124      4.126300
  C      -9.605320     -0.970867      4.076064
  O     -10.252851     -0.511551      5.019741
  C      -9.860513     -0.230109      2.754710
  O      -8.981994      0.120535      1.990512
  C      -8.281945     -2.712233      2.946467
  C      -7.318641     -3.718404      2.872867
  C      -6.919419     -4.156323      1.530763
  O      -7.579319     -4.016039      0.506849
  C      -2.078353     -5.955189      7.108905
  C      -0.808096     -6.406110      7.575416
  C      -0.404602     -6.219867      8.883589
  Cl      1.221472     -6.692421      9.255441
  C      -1.244238     -5.618086      9.872615
  C      -0.888451     -5.479078     11.286795
  O       0.019519     -6.082782     11.868697
  C      -1.639408     -4.474433     12.172747
  O      -2.292263     -3.518111     11.801378
  C      -2.516435     -5.227709      9.426221
  C      -2.942196     -5.366185      8.104146
  C      -4.326710     -5.179759      7.798041
  O      -4.816529     -5.207891      6.647268
  H      -3.495884     -2.412174      0.601340
  H      -6.850654      3.041837      2.743455
  H      -5.101069      0.504627      4.246082
  H      -4.726779     -0.973456      5.873867
  H      -6.437551     -3.727782      6.173446
  H     -10.916534      0.121926      2.659648
  H      -8.809819     -2.461338      2.031897
  H      -5.893285     -4.590342      1.471758
  H      -0.095312     -6.844628      6.880260
  H      -1.423090     -4.671389     13.251558
  H      -3.227300     -4.825255     10.147007
  H      -5.023306     -5.068661      8.650452
  N      -1.599130     -3.602423      5.193829
  H      -0.749032     -4.110715      4.938542
  H      -1.513952     -3.357485      6.185000
  H      -1.591972     -2.726411      4.665257
  N      -5.333405     -8.479134      6.288828
  N      -5.481325     -9.563963      6.411062
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.022153053631
  N      -3.345133     -3.575841      3.025417
  C      -2.867143     -4.348742      1.878778
  C      -2.379635     -5.708775      2.327494
  N      -3.351140     -6.312833      3.280702
  C      -4.607531     -6.695915      2.557301
  C      -5.827396     -6.322083      3.377098
  N      -5.613758     -5.055783      4.072741
  Mo     -3.705459     -4.651323      4.790112
  N      -2.483102     -6.101416      5.836059
  C      -1.771212     -7.049089      4.991805
  C      -2.751043     -7.502313      3.933154
  H      -1.441448     -7.926836      5.570274
  H      -0.861828     -6.607239      4.540764
  H      -3.567356     -8.050951      4.419929
  H      -2.281810     -8.159050      3.180521
  H      -6.708589     -6.286559      2.717383
  H      -6.046820     -7.098134      4.132180
  H      -4.627179     -6.161414      1.600488
  H      -4.582013     -7.772750      2.329953
  H      -2.034558     -3.830049      1.372679
  H      -3.664999     -4.456036      1.120645
  H      -1.416177     -5.613097      2.843616
  H      -2.236392     -6.372909      1.456273
  C      -3.779465     -2.313674      2.760544
  C      -3.786859     -1.796905      1.431026
  C      -4.266446     -0.542488      1.115029
  Cl     -4.231304     -0.093804     -0.560107
  C      -4.793049      0.331922      2.114229
  C      -5.398439      1.636285      1.852972
  O      -5.461112      2.225955      0.772037
  C      -6.021057      2.474159      2.975695
  O      -5.454288      2.783408      4.007743
  C      -4.763922     -0.151791      3.422989
  C      -4.280998     -1.420407      3.790365
  C      -4.389932     -1.748454      5.165964
  O      -4.170357     -2.905641      5.670830
  C      -6.594601     -4.089654      4.061202
  C      -6.929189     -3.418912      5.264276
  C      -7.878763     -2.418306      5.305930
  Cl     -8.161013     -1.665957      6.848134
  C      -8.583232     -2.004361      4.140744
  C      -9.601303     -0.955245      4.096354
  O     -10.261435     -0.513763      5.039590
  C      -9.840642     -0.191491      2.785235
  O      -8.950421      0.181829      2.045426
  C      -8.266655     -2.678787      2.954657
  C      -7.301420     -3.682551      2.876508
  C      -6.887434     -4.104259      1.533814
  O      -7.537091     -3.955818      0.504608
  C      -2.079019     -5.967443      7.111713
  C      -0.814324     -6.434276      7.578018
  C      -0.405703     -6.247264      8.884409
  Cl      1.214572     -6.739828      9.255682
  C      -1.235265     -5.629492      9.872275
  C      -0.874368     -5.486962     11.284834
  O       0.026951     -6.098846     11.868513
  C      -1.609165     -4.465778     12.165372
  O      -2.247163     -3.501730     11.788097
  C      -2.503761     -5.226224      9.427234
  C      -2.934199     -5.365291      8.106655
  C      -4.318017     -5.169016      7.803450
  O      -4.810608     -5.197283      6.654050
  H      -3.433083     -2.407298      0.605251
  H      -6.990878      2.931538      2.664413
  H      -5.150678      0.482133      4.220455
  H      -4.747191     -0.975275      5.859563
  H      -6.438209     -3.727486      6.181828
  H     -10.897568      0.153636      2.676804
  H      -8.792198     -2.420036      2.041340
  H      -5.858626     -4.533115      1.482648
  H      -0.109263     -6.885947      6.883363
  H      -1.395013     -4.658964     13.245292
  H      -3.208602     -4.813259     10.148027
  H      -5.011515     -5.050594      8.657505
  N      -1.593905     -3.610676      5.210739
  H      -0.746174     -4.128286      4.966314
  H      -1.516396     -3.363476      6.202057
  H      -1.572440     -2.736253      4.679861
  N      -5.386837     -8.510493      6.302320
  N      -5.528104     -9.596043      6.424294
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.022513718744
  N      -3.318538     -3.574195      3.030704
  C      -2.819773     -4.343141      1.890380
  C      -2.353380     -5.710589      2.340755
  N      -3.344395     -6.304695      3.279624
  C      -4.599368     -6.661531      2.540026
  C      -5.819605     -6.294388      3.361271
  N      -5.604771     -5.034162      4.068396
  Mo     -3.694035     -4.646547      4.793624
  N      -2.486249     -6.111008      5.839765
  C      -1.790266     -7.073665      4.998807
  C      -2.772540     -7.506396      3.933795
  H      -1.481154     -7.957846      5.578947
  H      -0.869681     -6.650857      4.552341
  H      -3.603035     -8.040322      4.413443
  H      -2.310828     -8.170922      3.183244
  H      -6.701571     -6.254490      2.702713
  H      -6.037453     -7.076180      4.112163
  H      -4.607643     -6.103587      1.596714
  H      -4.581931     -7.733150      2.287645
  H      -1.972585     -3.826903      1.406198
  H      -3.600901     -4.439609      1.113548
  H      -1.394930     -5.629511      2.868429
  H      -2.208117     -6.373619      1.468925
  C      -3.760283     -2.315623      2.759755
  C      -3.753893     -1.798598      1.430316
  C      -4.258929     -0.556605      1.104636
  Cl     -4.205942     -0.108334     -0.570169
  C      -4.826841      0.303792      2.093307
  C      -5.474583      1.584837      1.817654
  O      -5.525746      2.175801      0.736763
  C      -6.170811      2.389019      2.921154
  O      -5.653484      2.720008      3.972337
  C      -4.798251     -0.173439      3.404358
  C      -4.287259     -1.428089      3.781981
  C      -4.397392     -1.749998      5.158780
  O      -4.164938     -2.901873      5.670804
  C      -6.583931     -4.066436      4.063838
  C      -6.923118     -3.408587      5.272554
  C      -7.870612     -2.406057      5.319383
  Cl     -8.158393     -1.666910      6.866813
  C      -8.566953     -1.977716      4.154852
  C      -9.581617     -0.925017      4.115423
  O     -10.252684     -0.497051      5.056936
  C      -9.799515     -0.137990      2.814453
  O      -8.895170      0.249756      2.099313
  C      -8.246672     -2.639764      2.962969
  C      -7.283400     -3.644818      2.879728
  C      -6.860612     -4.053470      1.535721
  O      -7.503035     -3.895073      0.503550
  C      -2.079682     -5.980409      7.114941
  C      -0.821444     -6.464579      7.581337
  C      -0.407538     -6.277203      8.885958
  Cl      1.205929     -6.791940      9.256928
  C      -1.226002     -5.642313      9.872415
  C      -0.859917     -5.496452     11.283324
  O       0.032449     -6.118825     11.869684
  C      -1.578718     -4.459422     12.158403
  O      -2.201931     -3.487972     11.775268
  C      -2.490155     -5.224859      9.428523
  C      -2.925438     -5.364233      8.109486
  C      -4.308467     -5.157242      7.809611
  O      -4.804626     -5.186278      6.661958
  H      -3.369543     -2.400016      0.611638
  H      -7.150781      2.800644      2.579566
  H      -5.209511      0.454147      4.194600
  H      -4.768824     -0.978324      5.846490
  H      -6.436695     -3.727709      6.189001
  H     -10.854373      0.208365      2.691834
  H      -8.769983     -2.371628      2.051471
  H      -5.831608     -4.482101      1.488942
  H      -0.124862     -6.930566      6.887547
  H      -1.367901     -4.649662     13.239499
  H      -3.188504     -4.800745     10.149210
  H      -4.998175     -5.030438      8.665650
  N      -1.588288     -3.618908      5.229595
  H      -0.743358     -4.146196      4.996210
  H      -1.518603     -3.369602      6.221050
  H      -1.551977     -2.746157      4.696745
  N      -5.440296     -8.542171      6.312669
  N      -5.573261     -9.628827      6.435322
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.022717790131
  N      -3.294121     -3.572055      3.037356
  C      -2.775096     -4.336484      1.903172
  C      -2.327891     -5.710698      2.354399
  N      -3.336930     -6.296178      3.279026
  C      -4.589734     -6.628346      2.524219
  C      -5.810836     -6.268369      3.346277
  N      -5.595714     -5.013884      4.064379
  Mo     -3.683369     -4.642358      4.798071
  N      -2.489230     -6.120318      5.843628
  C      -1.808057     -7.096408      5.005507
  C      -2.791556     -7.509259      3.933839
  H      -1.518829     -7.986507      5.586882
  H      -0.877210     -6.691444      4.563949
  H      -3.634962     -8.030101      4.405807
  H      -2.336281     -8.180015      3.184792
  H      -6.693261     -6.225021      2.688433
  H      -6.026996     -7.055484      4.093088
  H      -4.587282     -6.048256      1.594445
  H      -4.579072     -7.694282      2.247700
  H      -1.914934     -3.821951      1.440243
  H      -3.539709     -4.423314      1.109046
  H      -1.374771     -5.642931      2.893352
  H      -2.179944     -6.372249      1.481806
  C      -3.746216     -2.317833      2.760989
  C      -3.730096     -1.800048      1.431909
  C      -4.265273     -0.572858      1.097240
  Cl     -4.199964     -0.124203     -0.576979
  C      -4.874797      0.270426      2.075717
  C      -5.570324      1.523403      1.785901
  O      -5.615372      2.115649      0.705452
  C      -6.341120      2.285633      2.869183
  O      -5.877425      2.632953      3.940036
  C      -4.841259     -0.199094      3.389176
  C      -4.298136     -1.437295      3.776293
  C      -4.406314     -1.752819      5.154425
  O      -4.159509     -2.898950      5.672963
  C      -6.572500     -4.044043      4.065847
  C      -6.916097     -3.397581      5.279352
  C      -7.857150     -2.388932      5.329602
  Cl     -8.149471     -1.660795      6.881286
  C      -8.540679     -1.943144      4.164367
  C      -9.543235     -0.878989      4.125914
  O     -10.225990     -0.458561      5.062186
  C      -9.723786     -0.065399      2.835649
  O      -8.797178      0.330381      2.153480
  C      -8.219503     -2.596674      2.968290
  C      -7.263285     -3.607737      2.881756
  C      -6.835329     -4.007673      1.536635
  O      -7.471229     -3.837278      0.502417
  C      -2.080332     -5.993430      7.118449
  C      -0.828671     -6.494538      7.584926
  C      -0.409767     -6.307614      8.887985
  Cl      1.196593     -6.844359      9.258756
  C      -1.217183     -5.656727      9.873259
  C      -0.846108     -5.508887     11.282704
  O       0.038904     -6.140363     11.870551
  C      -1.546696     -4.455004     12.152235
  O      -2.154820     -3.476230     11.763300
  C      -2.476804     -5.225074      9.430440
  C      -2.916736     -5.364097      8.112825
  C      -4.298967     -5.146611      7.816583
  O      -4.799201     -5.176617      6.670917
  H      -3.314953     -2.390188      0.620041
  H      -7.328259      2.649815      2.496637
  H      -5.276384      0.420646      4.172825
  H      -4.791225     -0.983186      5.836900
  H      -6.436633     -3.728583      6.195310
  H     -10.772263      0.291581      2.691816
  H      -8.739566     -2.318819      2.058480
  H      -5.808644     -4.441792      1.492816
  H      -0.140480     -6.974149      6.892019
  H      -1.336983     -4.640967     13.234290
  H      -3.168789     -4.790551     10.151093
  H      -4.984477     -5.011396      8.674828
  N      -1.583445     -3.626517      5.249045
  H      -0.741405     -4.162934      5.026053
  H      -1.521164     -3.375282      6.240588
  H      -1.533125     -2.755446      4.714582
  N      -5.490047     -8.572579      6.320209
  N      -5.614244     -9.659904      6.444576
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.022913174266
  N      -3.288779     -3.569225      3.047179
  C      -2.756131     -4.326346      1.915023
  C      -2.316748     -5.703913      2.363654
  N      -3.332669     -6.290549      3.278982
  C      -4.584684     -6.612611      2.515505
  C      -5.808438     -6.262157      3.338709
  N      -5.597772     -5.009635      4.061837
  Mo     -3.685540     -4.643149      4.803690
  N      -2.495598     -6.126715      5.846043
  C      -1.819093     -7.108380      5.009549
  C      -2.797270     -7.509896      3.930380
  H      -1.541299     -8.001804      5.591347
  H      -0.882386     -6.711004      4.573838
  H      -3.645804     -8.031412      4.392225
  H      -2.339129     -8.177536      3.180222
  H      -6.691814     -6.221802      2.682066
  H      -6.018610     -7.052747      4.082439
  H      -4.578740     -6.018114      1.594821
  H      -4.574255     -7.674396      2.223008
  H      -1.889196     -3.810080      1.466665
  H      -3.510290     -4.407010      1.110633
  H      -1.367274     -5.641964      2.909663
  H      -2.165021     -6.362271      1.489257
  C      -3.743394     -2.317379      2.769754
  C      -3.715020     -1.797772      1.442259
  C      -4.250457     -0.572327      1.103631
  Cl     -4.161222     -0.120859     -0.569310
  C      -4.867612      0.270280      2.078483
  C      -5.558927      1.525643      1.783621
  O      -5.583809      2.121460      0.704772
  C      -6.332503      2.290786      2.863621
  O      -5.884171      2.608727      3.950069
  C      -4.841391     -0.199533      3.392834
  C      -4.300266     -1.438477      3.782811
  C      -4.410663     -1.754638      5.161486
  O      -4.160515     -2.900667      5.682135
  C      -6.580300     -4.044462      4.054153
  C      -6.923607     -3.397326      5.267299
  C      -7.865275     -2.389995      5.319701
  Cl     -8.154712     -1.661041      6.871475
  C      -8.555316     -1.948112      4.157915
  C      -9.556922     -0.881691      4.126101
  O     -10.228370     -0.457846      5.068865
  C      -9.761165     -0.077044      2.834344
  O      -8.848441      0.309560      2.130297
  C      -8.238690     -2.604379      2.960985
  C      -7.278707     -3.613379      2.871136
  C      -6.863235     -4.017953      1.522987
  O      -7.511179     -3.853075      0.495392
  C      -2.083435     -6.000479      7.119829
  C      -0.834757     -6.509970      7.585173
  C      -0.410167     -6.319566      8.885915
  Cl      1.192839     -6.867813      9.254614
  C      -1.208702     -5.656505      9.870275
  C      -0.830687     -5.502240     11.277235
  O       0.051659     -6.137016     11.865719
  C      -1.516092     -4.433449     12.140215
  O      -2.117761     -3.453111     11.744883
  C      -2.467126     -5.219063      9.429739
  C      -2.912882     -5.362098      8.114423
  C      -4.296010     -5.141023      7.823885
  O      -4.803285     -5.176159      6.681464
  H      -3.283093     -2.382395      0.635035
  H      -7.301590      2.683792      2.475903
  H      -5.276462      0.422990      4.174289
  H      -4.797589     -0.985400      5.843216
  H      -6.439758     -3.725754      6.182100
  H     -10.810403      0.283770      2.708956
  H      -8.762631     -2.326882      2.052426
  H      -5.835357     -4.446900      1.468493
  H      -0.152815     -6.999573      6.893097
  H      -1.301386     -4.609983     13.222857
  H      -3.154103     -4.777143     10.150678
  H      -4.975797     -4.998556      8.685605
  N      -1.591215     -3.630076      5.264044
  H      -0.750996     -4.171343      5.045866
  H      -1.532483     -3.378560      6.255786
  H      -1.533792     -2.759592      4.729433
  N      -5.509509     -8.596468      6.321591
  N      -5.621103     -9.686392      6.447241
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023048600376
  N      -3.283372     -3.570068      3.051862
  C      -2.737064     -4.322114      1.922874
  C      -2.302894     -5.701369      2.371832
  N      -3.327229     -6.287126      3.277327
  C      -4.575083     -6.599551      2.504883
  C      -5.800636     -6.256623      3.326950
  N      -5.596080     -5.005852      4.056484
  Mo     -3.686018     -4.645517      4.805987
  N      -2.502691     -6.133472      5.847509
  C      -1.830547     -7.121767      5.014302
  C      -2.803532     -7.512673      3.927210
  H      -1.565789     -8.017901      5.597815
  H      -0.887281     -6.732994      4.585076
  H      -3.658186     -8.033319      4.378834
  H      -2.342433     -8.178485      3.177184
  H      -6.683852     -6.219590      2.669981
  H      -6.005569     -7.050040      4.068721
  H      -4.564849     -5.993123      1.591825
  H      -4.564497     -7.657605      2.198941
  H      -1.865058     -3.803773      1.486874
  H      -3.481552     -4.400561      1.109738
  H      -1.358017     -5.642584      2.926244
  H      -2.145421     -6.358238      1.497324
  C      -3.746417     -2.320830      2.773029
  C      -3.719623     -1.800655      1.445655
  C      -4.262626     -0.578219      1.106650
  Cl     -4.179522     -0.129861     -0.567672
  C      -4.881100      0.263504      2.081238
  C      -5.573597      1.518935      1.783390
  O      -5.600186      2.106642      0.700426
  C      -6.346427      2.288252      2.862349
  O      -5.908189      2.588591      3.957781
  C      -4.851826     -0.205723      3.395561
  C      -4.307385     -1.443434      3.785006
  C      -4.415177     -1.758295      5.163577
  O      -4.160040     -2.902809      5.685087
  C      -6.580583     -4.043327      4.048211
  C      -6.924749     -3.399934      5.263270
  C      -7.867026     -2.393371      5.319385
  Cl     -8.159087     -1.672263      6.874462
  C      -8.555867     -1.948066      4.158080
  C      -9.555961     -0.880377      4.127100
  O     -10.231419     -0.459639      5.068492
  C      -9.749903     -0.068127      2.838879
  O      -8.830957      0.329680      2.148577
  C      -8.237843     -2.600931      2.959471
  C      -7.279106     -3.610381      2.866559
  C      -6.867346     -4.011713      1.516013
  O      -7.519718     -3.844632      0.491665
  C      -2.087897     -6.006189      7.120629
  C      -0.842833     -6.523825      7.586547
  C      -0.413497     -6.328917      8.885180
  Cl      1.185323     -6.889636      9.253425
  C      -1.203439     -5.652244      9.867160
  C      -0.819862     -5.490030     11.271781
  O       0.053174     -6.133267     11.865143
  C      -1.497638     -4.412011     12.128669
  O      -2.097219     -3.432530     11.727761
  C      -2.459813     -5.208500      9.427213
  C      -2.910330     -5.356681      8.114023
  C      -4.293547     -5.130708      7.827832
  O      -4.807130     -5.173208      6.688577
  H      -3.280371     -2.380595      0.639097
  H      -7.302569      2.701251      2.464492
  H      -5.285397      0.417419      4.177119
  H      -4.803147     -0.989611      5.845210
  H      -6.441703     -3.732771      6.177048
  H     -10.798653      0.291188      2.705686
  H      -8.761435     -2.320200      2.051818
  H      -5.839359     -4.440381      1.455612
  H      -0.166643     -7.024426      6.896765
  H      -1.283902     -4.583114     13.212375
  H      -3.141957     -4.757650     10.147269
  H      -4.967946     -4.978169      8.692133
  N      -1.595369     -3.637094      5.273585
  H      -0.757735     -4.184287      5.060067
  H      -1.539039     -3.384009      6.265141
  H      -1.530572     -2.767981      4.737662
  N      -5.528980     -8.618676      6.321641
  N      -5.630081     -9.708995      6.448860
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023174232439
  N      -3.280771     -3.570536      3.059911
  C      -2.719738     -4.314784      1.932881
  C      -2.287371     -5.694901      2.381082
  N      -3.321408     -6.282217      3.273998
  C      -4.563767     -6.586725      2.491697
  C      -5.790701     -6.253453      3.313033
  N      -5.594026     -5.004894      4.049806
  Mo     -3.689118     -4.650864      4.809815
  N      -2.515752     -6.143328      5.849890
  C      -1.844735     -7.136181      5.020124
  C      -2.809103     -7.514819      3.920615
  H      -1.595960     -8.036031      5.604650
  H      -0.893280     -6.755021      4.602180
  H      -3.670385     -8.037554      4.357047
  H      -2.341172     -8.175468      3.170212
  H      -6.674706     -6.221313      2.657205
  H      -5.987251     -7.050986      4.052746
  H      -4.551164     -5.969481      1.585653
  H      -4.551570     -7.640855      2.172576
  H      -1.844851     -3.791028      1.509373
  H      -3.454822     -4.393039      1.111670
  H      -1.348851     -5.636799      2.946457
  H      -2.120408     -6.349256      1.506482
  C      -3.756432     -2.325297      2.780186
  C      -3.742254     -1.807911      1.451444
  C      -4.294297     -0.588567      1.113615
  Cl     -4.238329     -0.154036     -0.565803
  C      -4.903959      0.256473      2.091091
  C      -5.594518      1.514657      1.793206
  O      -5.640532      2.083813      0.701458
  C      -6.341810      2.301751      2.879581
  O      -5.901168      2.577216      3.980158
  C      -4.865156     -0.211383      3.405295
  C      -4.318367     -1.448668      3.791958
  C      -4.421679     -1.763389      5.169973
  O      -4.162451     -2.907209      5.689673
  C      -6.579085     -4.044363      4.039800
  C      -6.925706     -3.403619      5.256125
  C      -7.869294     -2.398474      5.314413
  Cl     -8.167530     -1.685982      6.872393
  C      -8.553106     -1.949042      4.151146
  C      -9.551220     -0.880438      4.117084
  O     -10.234551     -0.462238      5.054114
  C      -9.731860     -0.063029      2.830637
  O      -8.805492      0.347293      2.156629
  C      -8.229986     -2.598468      2.952163
  C      -7.273510     -3.609134      2.858302
  C      -6.858672     -4.003520      1.506466
  O      -7.510432     -3.831027      0.482709
  C      -2.098876     -6.015146      7.122879
  C      -0.858905     -6.542708      7.590824
  C      -0.425339     -6.343083      8.887570
  Cl      1.167405     -6.919785      9.257470
  C      -1.205361     -5.650489      9.866022
  C      -0.815724     -5.481622     11.268393
  O       0.058103     -6.125183     11.860590
  C      -1.463659     -4.375517     12.111624
  O      -2.053676     -3.394762     11.699256
  C      -2.458174     -5.197715      9.425132
  C      -2.913091     -5.352040      8.114087
  C      -4.295725     -5.118624      7.832210
  O      -4.817054     -5.171257      6.697144
  H      -3.307017     -2.387184      0.642304
  H      -7.279616      2.752512      2.478499
  H      -5.294210      0.412446      4.188524
  H      -4.808093     -0.995632      5.853496
  H      -6.445943     -3.741926      6.169650
  H     -10.781337      0.288817      2.682737
  H      -8.751600     -2.315607      2.044745
  H      -5.830134     -4.432341      1.443523
  H      -0.188670     -7.056445      6.905038
  H      -1.234464     -4.525818     13.195236
  H      -3.134972     -4.735784     10.143107
  H      -4.963200     -4.950582      8.699123
  N      -1.600039     -3.649944      5.286025
  H      -0.766414     -4.204583      5.075907
  H      -1.544715     -3.395924      6.277459
  H      -1.527012     -2.782115      4.749198
  N      -5.542064     -8.646381      6.317279
  N      -5.627010     -9.738627      6.445566
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023251326017
  N      -3.282021     -3.569147      3.063718
  C      -2.718181     -4.309826      1.935659
  C      -2.282620     -5.689021      2.383113
  N      -3.319068     -6.278154      3.272252
  C      -4.560352     -6.582944      2.488845
  C      -5.785812     -6.253648      3.313324
  N      -5.591433     -5.005490      4.050826
  Mo     -3.689313     -4.652712      4.812629
  N      -2.520498     -6.146138      5.850870
  C      -1.847678     -7.138134      5.021185
  C      -2.808560     -7.512882      3.916878
  H      -1.604177     -8.039818      5.605048
  H      -0.893559     -6.757824      4.608548
  H      -3.671290     -8.037629      4.347874
  H      -2.337393     -8.170444      3.165811
  H      -6.672671     -6.225106      2.661353
  H      -5.974355     -7.052135      4.053537
  H      -4.550615     -5.965391      1.582981
  H      -4.546958     -7.636526      2.168088
  H      -1.845535     -3.781622      1.513199
  H      -3.452606     -4.390915      1.114195
  H      -1.346580     -5.628578      2.952305
  H      -2.111046     -6.342447      1.508801
  C      -3.765161     -2.327073      2.783089
  C      -3.764751     -1.815483      1.452137
  C      -4.323766     -0.599391      1.113701
  Cl     -4.289463     -0.178831     -0.569983
  C      -4.925448      0.249707      2.093080
  C      -5.619242      1.506532      1.795893
  O      -5.685114      2.063125      0.698934
  C      -6.339108      2.309082      2.890587
  O      -5.886906      2.576173      3.988081
  C      -4.875377     -0.213901      3.408392
  C      -4.324344     -1.449122      3.794723
  C      -4.421687     -1.762793      5.173301
  O      -4.161017     -2.906590      5.691177
  C      -6.574983     -4.043842      4.038346
  C      -6.921831     -3.400365      5.253653
  C      -7.863793     -2.393872      5.309939
  Cl     -8.162831     -1.679069      6.866559
  C      -8.544292     -1.943825      4.144658
  C      -9.538651     -0.872459      4.107472
  O     -10.217036     -0.446011      5.044486
  C      -9.715563     -0.056764      2.819578
  O      -8.787440      0.349655      2.145648
  C      -8.220787     -2.595837      2.947447
  C      -7.266634     -3.608989      2.855690
  C      -6.848171     -4.002371      1.504800
  O      -7.496141     -3.826643      0.479195
  C      -2.101580     -6.017573      7.123489
  C      -0.863351     -6.549099      7.591214
  C      -0.426989     -6.348062      8.886989
  Cl      1.163879     -6.930999      9.255231
  C      -1.202107     -5.648970      9.864629
  C      -0.809756     -5.476511     11.265809
  O       0.049091     -6.133940     11.864713
  C      -1.466409     -4.377485     12.110913
  O      -2.066435     -3.401816     11.700823
  C      -2.453594     -5.192272      9.424197
  C      -2.911260     -5.348720      8.114375
  C      -4.293516     -5.110334      7.835497
  O      -4.819832     -5.168004      6.703125
  H      -3.339662     -2.398781      0.640523
  H      -7.270001      2.779670      2.494531
  H      -5.302161      0.410223      4.192554
  H      -4.804523     -0.994799      5.858707
  H      -6.443644     -3.738967      6.167792
  H     -10.764152      0.296934      2.668904
  H      -8.741058     -2.313643      2.039366
  H      -5.820219     -4.433021      1.443992
  H      -0.195631     -7.067691      6.906708
  H      -1.243382     -4.532477     13.195144
  H      -3.127258     -4.725082     10.141785
  H      -4.956436     -4.932477      8.704048
  N      -1.597054     -3.656730      5.288002
  H      -0.766137     -4.214917      5.076816
  H      -1.538995     -3.401930      6.279055
  H      -1.521991     -2.789735      4.750146
  N      -5.533715     -8.656068      6.321699
  N      -5.609157     -9.748409      6.451135
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023327639064
  N      -3.279702     -3.566610      3.064388
  C      -2.716724     -4.307306      1.935672
  C      -2.279166     -5.685574      2.383393
  N      -3.316784     -6.275114      3.270863
  C      -4.557684     -6.580927      2.486957
  C      -5.782709     -6.252267      3.313976
  N      -5.588663     -5.004337      4.051291
  Mo     -3.687673     -4.652321      4.813278
  N      -2.523539     -6.147055      5.851660
  C      -1.848090     -7.136634      5.021182
  C      -2.806949     -7.510341      3.915353
  H      -1.605569     -8.039570      5.603671
  H      -0.893309     -6.755062      4.611397
  H      -3.670188     -8.034567      4.345773
  H      -2.335294     -8.167662      3.164422
  H      -6.671665     -6.225022      2.664729
  H      -5.966969     -7.050978      4.055192
  H      -4.549047     -5.966290      1.579284
  H      -4.543678     -7.635263      2.168671
  H      -1.846503     -3.777085      1.510885
  H      -3.452487     -4.391315      1.115587
  H      -1.344409     -5.623716      2.954392
  H      -2.105235     -6.339005      1.509648
  C      -3.764817     -2.325753      2.782439
  C      -3.769370     -1.817194      1.450350
  C      -4.332867     -0.603746      1.110303
  Cl     -4.302027     -0.187277     -0.574343
  C      -4.934376      0.246071      2.089145
  C      -5.634725      1.498348      1.790953
  O      -5.712534      2.048992      0.691798
  C      -6.348167      2.304649      2.887271
  O      -5.892463      2.577419      3.981658
  C      -4.878504     -0.214078      3.405602
  C      -4.322655     -1.446509      3.793383
  C      -4.416340     -1.759054      5.172803
  O      -4.156729     -2.903261      5.689523
  C      -6.570974     -4.040785      4.039304
  C      -6.918422     -3.397679      5.254830
  C      -7.858371     -2.389535      5.310476
  Cl     -8.156294     -1.673350      6.866479
  C      -8.538301     -1.938065      4.145180
  C      -9.530651     -0.864960      4.108807
  O     -10.204642     -0.434745      5.047371
  C      -9.714194     -0.053177      2.819271
  O      -8.789340      0.350731      2.139846
  C      -8.216751     -2.591109      2.948243
  C      -7.262862     -3.605012      2.856450
  C      -6.844169     -3.998790      1.506024
  O      -7.489722     -3.820984      0.479145
  C      -2.105489     -6.019863      7.124749
  C      -0.868535     -6.553498      7.593201
  C      -0.433214     -6.354364      8.889689
  Cl      1.156575     -6.939724      9.258784
  C      -1.208119     -5.655054      9.867289
  C      -0.816785     -5.485746     11.269247
  O       0.041965     -6.144888     11.866452
  C      -1.466427     -4.382261     12.113934
  O      -2.065212     -3.405604     11.704288
  C      -2.458213     -5.195516      9.425720
  C      -2.914773     -5.350228      8.115281
  C      -4.296112     -5.107448      7.835495
  O      -4.822464     -5.164543      6.703068
  H      -3.348628     -2.402691      0.638166
  H      -7.282739      2.770917      2.493572
  H      -5.306476      0.409338      4.189677
  H      -4.796388     -0.990376      5.859130
  H      -6.440452     -3.736406      6.168991
  H     -10.763387      0.300522      2.672910
  H      -8.737254     -2.308845      2.040095
  H      -5.817424     -4.431131      1.446975
  H      -0.200412     -7.072256      6.909205
  H      -1.237643     -4.534471     13.197371
  H      -3.131611     -4.727241     10.142779
  H      -4.958497     -4.925592      8.703700
  N      -1.590637     -3.661141      5.287793
  H      -0.761055     -4.220709      5.075325
  H      -1.530528     -3.406085      6.278629
  H      -1.515178     -2.794463      4.749445
  N      -5.525495     -8.656355      6.324364
  N      -5.595989     -9.748583      6.454237
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023760419341
  N      -3.307271     -3.571726      3.071291
  C      -2.746366     -4.309450      1.939306
  C      -2.297840     -5.683897      2.384348
  N      -3.329625     -6.279021      3.273556
  C      -4.571736     -6.591385      2.493545
  C      -5.795117     -6.272225      3.329385
  N      -5.606733     -5.024966      4.068267
  Mo     -3.705094     -4.664350      4.823799
  N      -2.533978     -6.155948      5.855954
  C      -1.853528     -7.136735      5.018883
  C      -2.812085     -7.512905      3.915188
  H      -1.602329     -8.040866      5.596067
  H      -0.902623     -6.746405      4.608524
  H      -3.671644     -8.039692      4.349774
  H      -2.341153     -8.168066      3.161999
  H      -6.689386     -6.251379      2.687031
  H      -5.965862     -7.073272      4.073555
  H      -4.570561     -5.979042      1.584548
  H      -4.552283     -7.646482      2.177873
  H      -1.883509     -3.772699      1.507914
  H      -3.486759     -4.399875      1.123909
  H      -1.362176     -5.616869      2.953134
  H      -2.122212     -6.335878      1.509902
  C      -3.793625     -2.331631      2.789434
  C      -3.794327     -1.820291      1.458385
  C      -4.353815     -0.604711      1.120001
  Cl     -4.302429     -0.174673     -0.560309
  C      -4.958628      0.242368      2.098654
  C      -5.660017      1.493263      1.802336
  O      -5.737897      2.048603      0.705353
  C      -6.372511      2.298374      2.899819
  O      -5.913673      2.578603      3.990966
  C      -4.903130     -0.219075      3.414864
  C      -4.346605     -1.451410      3.801124
  C      -4.431896     -1.764746      5.180851
  O      -4.169783     -2.909397      5.694056
  C      -6.586565     -4.058071      4.046222
  C      -6.969052     -3.433105      5.260418
  C      -7.901332     -2.417148      5.301546
  Cl     -8.247999     -1.728083      6.859681
  C      -8.529304     -1.929692      4.121085
  C      -9.504119     -0.840351      4.072221
  O     -10.201837     -0.416918      4.996602
  C      -9.651145     -0.012314      2.788016
  O      -8.707903      0.391867      2.134964
  C      -8.168442     -2.560065      2.922847
  C      -7.231150     -3.591450      2.847802
  C      -6.762875     -3.964454      1.507826
  O      -7.367314     -3.770666      0.458728
  C      -2.109928     -6.027789      7.126646
  C      -0.866407     -6.552820      7.586971
  C      -0.423116     -6.348284      8.879816
  Cl      1.174649     -6.919091      9.237343
  C      -1.195436     -5.651751      9.861450
  C      -0.792737     -5.475284     11.259366
  O       0.077459     -6.125916     11.849337
  C      -1.431281     -4.364397     12.102922
  O      -2.039769     -3.393496     11.693868
  C      -2.451917     -5.201205      9.428075
  C      -2.916815     -5.361194      8.121018
  C      -4.300553     -5.121430      7.848133
  O      -4.832222     -5.178184      6.717656
  H      -3.370503     -2.403143      0.645891
  H      -7.307774      2.762787      2.505705
  H      -5.328930      0.403866      4.200712
  H      -4.804907     -0.995656      5.870661
  H      -6.527159     -3.793194      6.184488
  H     -10.694794      0.347400      2.619129
  H      -8.607709     -2.213557      1.985916
  H      -5.744750     -4.418795      1.484934
  H      -0.198764     -7.066597      6.898698
  H      -1.182766     -4.504781     13.183685
  H      -3.122031     -4.733569     10.148643
  H      -4.959079     -4.940935      8.719540
  N      -1.600946     -3.668140      5.285744
  H      -0.770188     -4.224052      5.068369
  H      -1.534833     -3.410885      6.275605
  H      -1.533389     -2.802310      4.744943
  N      -5.500184     -8.681444      6.348458
  N      -5.554876     -9.775021      6.478567
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023727872383
  N      -3.326639     -3.568528      3.073907
  C      -2.759850     -4.299229      1.939663
  C      -2.301819     -5.670973      2.380579
  N      -3.331176     -6.275897      3.265101
  C      -4.570806     -6.600898      2.484914
  C      -5.795750     -6.297535      3.327709
  N      -5.620177     -5.049905      4.067798
  Mo     -3.724250     -4.674957      4.825527
  N      -2.550099     -6.161270      5.855497
  C      -1.856396     -7.129562      5.014519
  C      -2.805867     -7.508070      3.905047
  H      -1.599024     -8.035454      5.586445
  H      -0.907204     -6.727311      4.611765
  H      -3.663114     -8.041360      4.336183
  H      -2.328282     -8.157589      3.151283
  H      -6.695410     -6.288149      2.692053
  H      -5.947240     -7.101350      4.074576
  H      -4.577764     -5.991813      1.574447
  H      -4.540064     -7.656632      2.171927
  H      -1.902010     -3.753519      1.509744
  H      -3.498636     -4.394053      1.123121
  H      -1.368758     -5.598589      2.952831
  H      -2.118154     -6.319081      1.504979
  C      -3.800945     -2.323096      2.795304
  C      -3.788022     -1.804258      1.467194
  C      -4.321355     -0.575478      1.134389
  Cl     -4.245310     -0.131629     -0.540829
  C      -4.911341      0.278700      2.115442
  C      -5.575243      1.550662      1.826437
  O      -5.637352      2.115617      0.733426
  C      -6.243876      2.381749      2.932397
  O      -5.776428      2.626321      4.028268
  C      -4.876251     -0.194949      3.428027
  C      -4.346807     -1.440778      3.807814
  C      -4.444877     -1.765038      5.183795
  O      -4.193359     -2.914827      5.688179
  C      -6.605431     -4.087220      4.045849
  C      -6.971650     -3.446977      5.256641
  C      -7.901865     -2.428671      5.296439
  Cl     -8.230262     -1.722294      6.850597
  C      -8.540808     -1.950226      4.117320
  C      -9.515959     -0.860653      4.069696
  O     -10.185646     -0.414092      5.004134
  C      -9.717664     -0.072306      2.767941
  O      -8.804048      0.319257      2.067185
  C      -8.195500     -2.595897      2.922490
  C      -7.269287     -3.637915      2.850511
  C      -6.843654     -4.054913      1.509380
  O      -7.460858     -3.857629      0.468234
  C      -2.125297     -6.030505      7.125526
  C      -0.877220     -6.546177      7.583525
  C      -0.431192     -6.334186      8.874215
  Cl      1.172385     -6.891372      9.227600
  C      -1.204754     -5.638969      9.855700
  C      -0.796290     -5.452818     11.250732
  O       0.078701     -6.098130     11.839712
  C      -1.430551     -4.335861     12.089156
  O      -2.049172     -3.372414     11.677469
  C      -2.465814     -5.198273      9.424794
  C      -2.933948     -5.365971      8.119711
  C      -4.319072     -5.129605      7.848604
  O      -4.853190     -5.189310      6.719029
  H      -3.372217     -2.389263      0.652167
  H      -7.166264      2.879432      2.548237
  H      -5.293289      0.430213      4.216932
  H      -4.811978     -0.997448      5.878695
  H      -6.512253     -3.791386      6.178908
  H     -10.769881      0.274856      2.629382
  H      -8.611033     -2.233724      1.974907
  H      -5.832053     -4.518471      1.471944
  H      -0.207380     -7.056710      6.894972
  H      -1.161235     -4.459456     13.167051
  H      -3.135632     -4.730564     10.145599
  H      -4.976037     -4.947790      8.720922
  N      -1.615975     -3.670302      5.285651
  H      -0.782484     -4.221519      5.066982
  H      -1.548429     -3.410589      6.274737
  H      -1.555426     -2.805409      4.742517
  N      -5.459651     -8.711416      6.355173
  N      -5.489979     -9.805773      6.487113
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023939255177
  N      -3.317569     -3.572347      3.069167
  C      -2.747870     -4.304134      1.937178
  C      -2.292763     -5.676742      2.379697
  N      -3.323769     -6.281023      3.263233
  C      -4.561838     -6.605289      2.479914
  C      -5.789744     -6.298171      3.315263
  N      -5.613519     -5.051232      4.056840
  Mo     -3.719892     -4.677010      4.820297
  N      -2.545922     -6.161993      5.855012
  C      -1.851279     -7.131740      5.017034
  C      -2.799555     -7.512165      3.905854
  H      -1.593868     -8.036266      5.590977
  H      -0.901626     -6.729660      4.614811
  H      -3.657759     -8.045470      4.335185
  H      -2.320216     -8.162482      3.153909
  H      -6.685663     -6.285623      2.674666
  H      -5.948079     -7.101645      4.059932
  H      -4.563363     -5.995531      1.569717
  H      -4.532151     -7.661009      2.166934
  H      -1.886871     -3.760738      1.510577
  H      -3.484049     -4.396556      1.117942
  H      -1.359941     -5.605250      2.952615
  H      -2.108904     -6.325264      1.504352
  C      -3.794210     -2.328496      2.788156
  C      -3.783689     -1.813016      1.458674
  C      -4.328341     -0.590162      1.122171
  Cl     -4.265324     -0.154358     -0.555826
  C      -4.931052      0.259400      2.099896
  C      -5.614202      1.520411      1.805606
  O      -5.693035      2.075385      0.708385
  C      -6.317854      2.332800      2.903280
  O      -5.852245      2.613719      3.991339
  C      -4.894603     -0.210531      3.413681
  C      -4.353244     -1.450002      3.797664
  C      -4.454078     -1.772411      5.173803
  O      -4.197113     -2.919646      5.681206
  C      -6.596440     -4.086437      4.042167
  C      -6.953224     -3.453970      5.259690
  C      -7.877166     -2.430369      5.313114
  Cl     -8.196596     -1.739073      6.875977
  C      -8.515313     -1.935676      4.140716
  C      -9.482126     -0.838423      4.106002
  O     -10.145480     -0.396671      5.047192
  C      -9.652398     -0.012294      2.823395
  O      -8.722375      0.396061      2.153912
  C      -8.179134     -2.574132      2.939382
  C      -7.260685     -3.621337      2.853390
  C      -6.842867     -4.024088      1.505433
  O      -7.469882     -3.819690      0.471746
  C      -2.124840     -6.028793      7.126031
  C      -0.877434     -6.542392      7.588408
  C      -0.435911     -6.328638      8.880320
  Cl      1.166621     -6.884622      9.240155
  C      -1.214156     -5.634331      9.858732
  C      -0.811083     -5.445799     11.254846
  O       0.062458     -6.088567     11.848672
  C      -1.454602     -4.332036     12.090503
  O      -2.080506     -3.374517     11.676114
  C      -2.474568     -5.196219      9.423699
  C      -2.938154     -5.365425      8.117311
  C      -4.322661     -5.132891      7.840957
  O      -4.851580     -5.192088      6.709039
  H      -3.363460     -2.397670      0.645576
  H      -7.245090      2.811625      2.506839
  H      -5.323619      0.410759      4.199116
  H      -4.830775     -1.006679      5.865627
  H      -6.491399     -3.808867      6.176821
  H     -10.697231      0.356130      2.682813
  H      -8.604875     -2.211439      2.000787
  H      -5.835089     -4.495147      1.455921
  H      -0.205488     -7.053201      6.902169
  H      -1.201458     -4.461299     13.171624
  H      -3.147785     -4.730228     10.142484
  H      -4.984256     -4.955859      8.710632
  N      -1.615656     -3.668325      5.287554
  H      -0.779849     -4.217409      5.072230
  H      -1.552976     -3.409042      6.277080
  H      -1.554723     -2.803019      4.745192
  N      -5.463134     -8.712763      6.343326
  N      -5.496735     -9.808078      6.471701
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023792950589
  N      -3.313395     -3.576826      3.071744
  C      -2.740297     -4.309559      1.942380
  C      -2.292323     -5.684709      2.386010
  N      -3.326451     -6.284513      3.268302
  C      -4.563697     -6.598052      2.481183
  C      -5.792135     -6.287905      3.310750
  N      -5.613262     -5.042764      4.056265
  Mo     -3.718422     -4.677344      4.823552
  N      -2.545250     -6.166100      5.857747
  C      -1.859328     -7.143926      5.022089
  C      -2.810230     -7.519043      3.910708
  H      -1.607724     -8.048391      5.598460
  H      -0.907135     -6.749653      4.617831
  H      -3.671843     -8.049350      4.337200
  H      -2.332911     -8.171101      3.158926
  H      -6.684328     -6.270679      2.665516
  H      -5.958138     -7.091512      4.052417
  H      -4.557900     -5.978726      1.576717
  H      -4.539130     -7.651105      2.159062
  H      -1.873282     -3.770883      1.521811
  H      -3.472463     -4.396422      1.119204
  H      -1.359125     -5.618077      2.959187
  H      -2.111470     -6.333968      1.510465
  C      -3.794592     -2.334623      2.789456
  C      -3.786901     -1.819838      1.459461
  C      -4.342059     -0.601559      1.122220
  Cl     -4.291535     -0.169475     -0.557552
  C      -4.952150      0.243717      2.099124
  C      -5.647869      1.498581      1.802290
  O      -5.719950      2.055701      0.705812
  C      -6.358847      2.306018      2.899121
  O      -5.907382      2.562300      3.999554
  C      -4.911048     -0.223434      3.413457
  C      -4.361027     -1.459004      3.798439
  C      -4.458086     -1.778029      5.175195
  O      -4.193700     -2.922372      5.685959
  C      -6.590884     -4.073609      4.036353
  C      -6.966231     -3.457189      5.256584
  C      -7.891552     -2.434663      5.311086
  Cl     -8.239439     -1.771813      6.880476
  C      -8.511461     -1.925084      4.135671
  C      -9.478199     -0.828569      4.097375
  O     -10.173803     -0.410674      5.025971
  C      -9.614268      0.021223      2.826752
  O      -8.667862      0.441771      2.187284
  C      -8.155970     -2.548101      2.931809
  C      -7.235110     -3.592042      2.844294
  C      -6.792795     -3.967981      1.496098
  O      -7.411310     -3.756507      0.458968
  C      -2.120322     -6.030462      7.127367
  C      -0.874585     -6.549107      7.588920
  C      -0.429221     -6.333023      8.879135
  Cl      1.170184     -6.898085      9.238509
  C      -1.201891     -5.631289      9.856708
  C      -0.794744     -5.438299     11.250999
  O       0.073091     -6.085623     11.848307
  C      -1.437859     -4.322941     12.084732
  O      -2.044596     -3.355193     11.665640
  C      -2.461762     -5.190160      9.423637
  C      -2.929120     -5.361699      8.119010
  C      -4.313762     -5.129086      7.845601
  O      -4.845005     -5.189257      6.714950
  H      -3.358701     -2.400471      0.647676
  H      -7.307997      2.752188      2.518345
  H      -5.343697      0.396920      4.197520
  H      -4.840569     -1.013364      5.864845
  H      -6.522679     -3.828394      6.175802
  H     -10.660426      0.368789      2.647265
  H      -8.585110     -2.190341      1.997932
  H      -5.782326     -4.436988      1.451564
  H      -0.208036     -7.067292      6.903017
  H      -1.170462     -4.441273     13.163605
  H      -3.132160     -4.721252     10.143148
  H      -4.973798     -4.952897      8.716511
  N      -1.617930     -3.671175      5.293151
  H      -0.782903     -4.222887      5.081125
  H      -1.557772     -3.411506      6.282797
  H      -1.552711     -2.806342      4.750649
  N      -5.490253     -8.717819      6.345141
  N      -5.527503     -9.812982      6.471146
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023940560925
  N      -3.325016     -3.573919      3.076034
  C      -2.757082     -4.306333      1.943736
  C      -2.304521     -5.680371      2.385275
  N      -3.334514     -6.282063      3.270692
  C      -4.573777     -6.598881      2.488064
  C      -5.799422     -6.291716      3.324137
  N      -5.620518     -5.046097      4.067843
  Mo     -3.724108     -4.677682      4.829498
  N      -2.547806     -6.166170      5.858879
  C      -1.861058     -7.139935      5.019297
  C      -2.813979     -7.515991      3.910877
  H      -1.605112     -8.045050      5.592921
  H      -0.911172     -6.742072      4.613263
  H      -3.673244     -8.047176      4.340829
  H      -2.338419     -8.167261      3.157322
  H      -6.695093     -6.276593      2.683526
  H      -5.958947     -7.095433      4.067368
  H      -4.573315     -5.981625      1.582226
  H      -4.547792     -7.652527      2.167968
  H      -1.893714     -3.765885      1.518018
  H      -3.493547     -4.395245      1.124526
  H      -1.369710     -5.611956      2.955460
  H      -2.125169     -6.329156      1.509140
  C      -3.800766     -2.329335      2.796445
  C      -3.791947     -1.812106      1.467433
  C      -4.334770     -0.587405      1.134097
  Cl     -4.276270     -0.149084     -0.543697
  C      -4.930404      0.263783      2.114622
  C      -5.605399      1.530805      1.823747
  O      -5.670071      2.093737      0.729675
  C      -6.283723      2.355355      2.928320
  O      -5.800511      2.624385      4.011982
  C      -4.893025     -0.207908      3.427679
  C      -4.356153     -1.450527      3.808358
  C      -4.452909     -1.773032      5.184592
  O      -4.194101     -2.920313      5.691290
  C      -6.597743     -4.076046      4.039198
  C      -6.983627     -3.454098      5.253447
  C      -7.914722     -2.436388      5.295804
  Cl     -8.274280     -1.764354      6.858510
  C      -8.534734     -1.940523      4.114350
  C      -9.511197     -0.853290      4.064725
  O     -10.210727     -0.431577      4.988763
  C      -9.680902     -0.038445      2.775618
  O      -8.751292      0.379496      2.111107
  C      -8.170084     -2.569572      2.916577
  C      -7.240410     -3.607210      2.840891
  C      -6.791021     -3.993891      1.498214
  O      -7.403999     -3.792083      0.455753
  C      -2.118547     -6.030918      7.127009
  C      -0.870536     -6.548357      7.583592
  C      -0.421073     -6.333186      8.872560
  Cl      1.180569     -6.895907      9.225574
  C      -1.191257     -5.633540      9.853574
  C      -0.779320     -5.441881     11.246699
  O       0.093438     -6.087376     11.838765
  C      -1.415072     -4.323535     12.082181
  O      -2.041023     -3.366017     11.667766
  C      -2.453056     -5.193203      9.425199
  C      -2.924622     -5.363906      8.121961
  C      -4.310032     -5.130561      7.853043
  O      -4.844841     -5.189104      6.723835
  H      -3.372291     -2.395323      0.653142
  H      -7.209691      2.846437      2.545934
  H      -5.315943      0.415273      4.214773
  H      -4.828606     -1.007790      5.877419
  H      -6.543096     -3.816395      6.177455
  H     -10.733774      0.294407      2.608553
  H      -8.596558     -2.220738      1.976653
  H      -5.779206     -4.460395      1.463301
  H      -0.205478     -7.064709      6.894831
  H      -1.159920     -4.451710     13.162941
  H      -3.121219     -4.725255     10.147379
  H      -4.967308     -4.954294      8.726059
  N      -1.618832     -3.672101      5.290359
  H      -0.784298     -4.223248      5.075188
  H      -1.554433     -3.411174      6.279382
  H      -1.556943     -2.807897      4.746422
  N      -5.476271     -8.720582      6.360847
  N      -5.507840     -9.815431      6.486736
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023881426072
  N      -3.333010     -3.570591      3.078222
  C      -2.760172     -4.297911      1.944850
  C      -2.301047     -5.670296      2.383577
  N      -3.329700     -6.279873      3.265635
  C      -4.567524     -6.605363      2.482188
  C      -5.795547     -6.306480      3.320705
  N      -5.623134     -5.061872      4.066398
  Mo     -3.730701     -4.683389      4.829566
  N      -2.550668     -6.167734      5.858186
  C      -1.854369     -7.132245      5.015882
  C      -2.802345     -7.511608      3.904700
  H      -1.592606     -8.038018      5.586006
  H      -0.906576     -6.725479      4.613848
  H      -3.659171     -8.047504      4.333568
  H      -2.322532     -8.159185      3.150701
  H      -6.692842     -6.294929      2.681868
  H      -5.947726     -7.112864      4.063763
  H      -4.571681     -5.991544      1.574762
  H      -4.534410     -7.659731      2.164913
  H      -1.900358     -3.751052      1.520193
  H      -3.495404     -4.390056      1.124734
  H      -1.368012     -5.597885      2.956006
  H      -2.115826     -6.315931      1.506370
  C      -3.810913     -2.327141      2.799140
  C      -3.797842     -1.807505      1.471263
  C      -4.343115     -0.584157      1.137737
  Cl     -4.274773     -0.140938     -0.538040
  C      -4.946955      0.262641      2.116867
  C      -5.627050      1.526093      1.826452
  O      -5.704656      2.085655      0.731487
  C      -6.322362      2.339763      2.927967
  O      -5.845590      2.621684      4.011054
  C      -4.913016     -0.211178      3.429386
  C      -4.371830     -1.451620      3.810164
  C      -4.471582     -1.778446      5.185318
  O      -4.210643     -2.926344      5.688546
  C      -6.602205     -4.093201      4.041298
  C      -6.961853     -3.450455      5.252495
  C      -7.876663     -2.417983      5.293505
  Cl     -8.197876     -1.712680      6.849717
  C      -8.502254     -1.924633      4.113632
  C      -9.455284     -0.816508      4.063892
  O     -10.110449     -0.351283      4.999739
  C      -9.617458     -0.006584      2.770562
  O      -8.682724      0.390291      2.100860
  C      -8.165745     -2.575583      2.919261
  C      -7.258280     -3.633589      2.846328
  C      -6.845360     -4.059294      1.503895
  O      -7.461752     -3.844382      0.465885
  C      -2.124908     -6.033355      7.127434
  C      -0.874036     -6.543093      7.584646
  C      -0.428174     -6.327998      8.874833
  Cl      1.177620     -6.878508      9.228355
  C      -1.204561     -5.635771      9.856157
  C      -0.795098     -5.444432     11.250119
  O       0.082171     -6.085362     11.840545
  C      -1.434094     -4.328259     12.086019
  O      -2.056318     -3.368323     11.671565
  C      -2.468561     -5.202479      9.426576
  C      -2.936858     -5.373243      8.122082
  C      -4.322722     -5.144494      7.850141
  O      -4.854284     -5.201155      6.719107
  H      -3.375071     -2.388824      0.657114
  H      -7.253090      2.818179      2.540022
  H      -5.342702      0.407806      4.216289
  H      -4.849587     -1.015844      5.879930
  H      -6.506280     -3.801148      6.174418
  H     -10.656206      0.379489      2.632932
  H      -8.579472     -2.215239      1.972830
  H      -5.842821     -4.542161      1.460110
  H      -0.203662     -7.052039      6.895503
  H      -1.159751     -4.445145     13.163372
  H      -3.140264     -4.739075     10.148387
  H      -4.983019     -4.972534      8.721753
  N      -1.626216     -3.668738      5.293685
  H      -0.788047     -4.214216      5.078391
  H      -1.563645     -3.407725      6.282765
  H      -1.570012     -2.804044      4.749849
  N      -5.447563     -8.737201      6.355253
  N      -5.468068     -9.833330      6.478304
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.024008866419
  N      -3.324569     -3.573389      3.072383
  C      -2.749244     -4.303341      1.942041
  C      -2.294783     -5.676362      2.384082
  N      -3.326960     -6.281880      3.264536
  C      -4.563402     -6.603362      2.477904
  C      -5.792635     -6.300981      3.312401
  N      -5.619636     -5.056388      4.058857
  Mo     -3.727430     -4.681953      4.825277
  N      -2.551726     -6.167814      5.857732
  C      -1.857887     -7.136888      5.018682
  C      -2.805130     -7.514631      3.906157
  H      -1.600356     -8.042332      5.591190
  H      -0.907919     -6.734452      4.617332
  H      -3.664652     -8.047716      4.333228
  H      -2.325508     -8.164492      3.153987
  H      -6.688302     -6.288548      2.671565
  H      -5.948046     -7.106368      4.055386
  H      -4.562673     -5.987973      1.571364
  H      -4.532591     -7.657402      2.159338
  H      -1.886078     -3.759553      1.520194
  H      -3.481610     -4.394189      1.119322
  H      -1.362720     -5.605715      2.958389
  H      -2.109484     -6.323778      1.508169
  C      -3.801243     -2.329963      2.790334
  C      -3.786288     -1.812431      1.461567
  C      -4.331483     -0.589595      1.125510
  Cl     -4.264990     -0.150259     -0.551463
  C      -4.936649      0.258726      2.102367
  C      -5.616711      1.521763      1.808404
  O      -5.689639      2.080363      0.712720
  C      -6.312693      2.338030      2.907575
  O      -5.842597      2.609063      3.996485
  C      -4.904422     -0.212663      3.415688
  C      -4.363953     -1.452648      3.799144
  C      -4.465203     -1.776457      5.174731
  O      -4.205009     -2.923360      5.680795
  C      -6.599079     -4.088066      4.039752
  C      -6.965215     -3.463555      5.258651
  C      -7.885746     -2.436823      5.312246
  Cl     -8.216962     -1.758200      6.878245
  C      -8.512035     -1.931663      4.137929
  C      -9.471845     -0.829264      4.099889
  O     -10.137068     -0.383264      5.037936
  C      -9.635507     -0.003943      2.816623
  O      -8.703733      0.392997      2.142371
  C      -8.168791     -2.564379      2.935760
  C      -7.253604     -3.614325      2.849251
  C      -6.831698     -4.011112      1.500732
  O      -7.456456     -3.800320      0.466929
  C      -2.126807     -6.031481      7.127111
  C      -0.878000     -6.544017      7.586948
  C      -0.432881     -6.327134      8.877106
  Cl      1.170428     -6.882571      9.234091
  C      -1.208349     -5.630360      9.855933
  C      -0.800112     -5.436367     11.249835
  O       0.074476     -6.077899     11.843532
  C      -1.437634     -4.316185     12.081429
  O      -2.070800     -3.364403     11.664711
  C      -2.470605     -5.194480      9.424090
  C      -2.938022     -5.366928      8.119543
  C      -4.323004     -5.135874      7.845741
  O      -4.853421     -5.193253      6.714256
  H      -3.361627     -2.394671      0.649088
  H      -7.252155      2.803734      2.525623
  H      -5.334937      0.407983      4.200784
  H      -4.844549     -1.012586      5.867148
  H      -6.512461     -3.826737      6.177038
  H     -10.682389      0.352577      2.661119
  H      -8.588384     -2.199038      1.995785
  H      -5.828985     -4.493142      1.451131
  H      -0.208868     -7.057201      6.899773
  H      -1.183568     -4.441290     13.162832
  H      -3.141888     -4.727935     10.144310
  H      -4.984074     -4.961806      8.716301
  N      -1.623388     -3.670502      5.291804
  H      -0.785804     -4.218186      5.079726
  H      -1.562820     -3.407826      6.280589
  H      -1.563991     -2.806910      4.746601
  N      -5.455931     -8.732937      6.353228
  N      -5.476387     -9.828895      6.476649
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023855420226
  N      -3.323070     -3.576585      3.073773
  C      -2.749629     -4.309014      1.944365
  C      -2.299451     -5.683335      2.387781
  N      -3.332459     -6.284314      3.269991
  C      -4.569587     -6.599018      2.483328
  C      -5.797258     -6.292418      3.315756
  N      -5.620403     -5.048038      4.062458
  Mo     -3.725885     -4.680447      4.828784
  N      -2.551223     -6.169566      5.860165
  C      -1.864424     -7.144472      5.022257
  C      -2.815422     -7.519067      3.911400
  H      -1.610492     -8.049745      5.596511
  H      -0.913146     -6.747819      4.618108
  H      -3.676738     -8.049330      4.338473
  H      -2.338701     -8.170894      3.159043
  H      -6.691508     -6.276938      2.673441
  H      -5.957339     -7.096772      4.057810
  H      -4.565419     -5.979294      1.579112
  H      -4.543457     -7.651909      2.160799
  H      -1.883440     -3.769363      1.523273
  H      -3.481885     -4.396890      1.121356
  H      -1.366137     -5.615472      2.960519
  H      -2.117966     -6.332339      1.512186
  C      -3.799719     -2.333118      2.791304
  C      -3.788513     -1.817194      1.461751
  C      -4.334513     -0.594418      1.126075
  Cl     -4.277855     -0.159083     -0.552624
  C      -4.935768      0.255725      2.103864
  C      -5.614795      1.520133      1.809670
  O      -5.679427      2.081304      0.714739
  C      -6.297397      2.343630      2.911876
  O      -5.809764      2.621496      3.991494
  C      -4.900420     -0.214076      3.417552
  C      -4.360696     -1.454628      3.800696
  C      -4.458840     -1.775853      5.176884
  O      -4.197481     -2.921920      5.684774
  C      -6.596181     -4.076713      4.036659
  C      -6.986930     -3.468070      5.256204
  C      -7.917146     -2.449990      5.306995
  Cl     -8.284367     -1.798372      6.876560
  C      -8.531020     -1.939630      4.128542
  C      -9.503947     -0.849401      4.085641
  O     -10.209094     -0.436417      5.009592
  C      -9.669077     -0.023971      2.803025
  O      -8.736642      0.413400      2.154703
  C      -8.162486     -2.556614      2.925705
  C      -7.233547     -3.593996      2.841169
  C      -6.778994     -3.961641      1.494895
  O      -7.389959     -3.746145      0.453979
  C      -2.122347     -6.031979      7.128201
  C      -0.874900     -6.549490      7.586321
  C      -0.426074     -6.332497      8.875208
  Cl      1.174709     -6.896249      9.230312
  C      -1.196273     -5.630516      9.854517
  C      -0.784420     -5.435640     11.247268
  O       0.081859     -6.085805     11.843821
  C      -1.424444     -4.318804     12.081321
  O      -2.030673     -3.350569     11.662509
  C      -2.457823     -5.190650      9.425003
  C      -2.928735     -5.363122      8.121801
  C      -4.313512     -5.129607      7.851078
  O      -4.846461     -5.186691      6.720854
  H      -3.364983     -2.399967      0.649112
  H      -7.228148      2.826978      2.531637
  H      -5.327955      0.408371      4.202704
  H      -4.838056     -1.011237      5.868447
  H      -6.551596     -3.842417      6.177896
  H     -10.721342      0.311902      2.637958
  H      -8.587018     -2.200570      1.988763
  H      -5.766140     -4.425439      1.455185
  H      -0.210347     -7.067860      6.898631
  H      -1.142799     -4.429108     13.157419
  H      -3.126157     -4.721692     10.146358
  H      -4.972583     -4.954654      8.722895
  N      -1.621859     -3.673903      5.292568
  H      -0.785921     -4.224671      5.081792
  H      -1.561007     -3.410050      6.281050
  H      -1.559442     -2.811243      4.746310
  N      -5.471113     -8.727854      6.360963
  N      -5.493718     -9.823543      6.483217
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.024060179813
  N      -3.327295     -3.573187      3.077496
  C      -2.752966     -4.303120      1.946832
  C      -2.300438     -5.677260      2.387920
  N      -3.332316     -6.281486      3.269401
  C      -4.569896     -6.598570      2.483494
  C      -5.797575     -6.296051      3.318771
  N      -5.622173     -5.052514      4.066495
  Mo     -3.728098     -4.681447      4.831365
  N      -2.550937     -6.169764      5.860270
  C      -1.861818     -7.140923      5.019893
  C      -2.812357     -7.515921      3.909102
  H      -1.605218     -8.046872      5.591984
  H      -0.911741     -6.740993      4.616236
  H      -3.672352     -8.047792      4.336762
  H      -2.335252     -8.166198      3.155662
  H      -6.693031     -6.281091      2.677831
  H      -5.954493     -7.101961      4.060459
  H      -4.568762     -5.979171      1.579317
  H      -4.541422     -7.651428      2.160944
  H      -1.888374     -3.760915      1.525760
  H      -3.485407     -4.391605      1.123968
  H      -1.367293     -5.608609      2.960746
  H      -2.117699     -6.324574      1.511358
  C      -3.805141     -2.330164      2.796109
  C      -3.791462     -1.812096      1.467491
  C      -4.339993     -0.590539      1.132070
  Cl     -4.275767     -0.150754     -0.545084
  C      -4.947602      0.255652      2.109322
  C      -5.632535      1.516488      1.815563
  O      -5.702304      2.077605      0.720918
  C      -6.327385      2.331565      2.916135
  O      -5.849581      2.609021      4.000201
  C      -4.912796     -0.215313      3.422731
  C      -4.368876     -1.454019      3.805681
  C      -4.466665     -1.777293      5.181577
  O      -4.203078     -2.923543      5.687684
  C      -6.597793     -4.080910      4.039126
  C      -6.975149     -3.455358      5.254152
  C      -7.896110     -2.428586      5.298741
  Cl     -8.244295     -1.751849      6.861938
  C      -8.512359     -1.925278      4.118330
  C      -9.473882     -0.824922      4.070371
  O     -10.157317     -0.386173      4.998783
  C      -9.631679     -0.004165      2.783703
  O      -8.695417      0.413961      2.128559
  C      -8.158203     -2.559743      2.920166
  C      -7.241429     -3.608922      2.842741
  C      -6.806356     -4.007078      1.498705
  O      -7.418295     -3.790177      0.458576
  C      -2.121973     -6.033642      7.128338
  C      -0.872939     -6.548705      7.584823
  C      -0.424079     -6.332946      8.873877
  Cl      1.178684     -6.892340      9.226996
  C      -1.195693     -5.634964      9.854898
  C      -0.783478     -5.441961     11.247795
  O       0.089936     -6.086554     11.839927
  C      -1.418083     -4.321699     12.081502
  O      -2.046853     -3.366422     11.666080
  C      -2.458413     -5.197039      9.426658
  C      -2.929473     -5.368254      8.123297
  C      -4.314733     -5.136247      7.853083
  O      -4.847538     -5.191666      6.722596
  H      -3.364562     -2.392625      0.654983
  H      -7.267188      2.798027      2.536671
  H      -5.344231      0.404430      4.207976
  H      -4.846644     -1.014112      5.874359
  H      -6.533085     -3.819574      6.176957
  H     -10.678691      0.349629      2.623092
  H      -8.578459     -2.204084      1.978721
  H      -5.800180     -4.484497      1.458086
  H      -0.207084     -7.063590      6.895747
  H      -1.158116     -4.445298     13.161662
  H      -3.127271     -4.730350     10.149007
  H      -4.974089     -4.963658      8.725173
  N      -1.623953     -3.671770      5.294922
  H      -0.786823     -4.220358      5.083296
  H      -1.563004     -3.408162      6.283450
  H      -1.564068     -2.808759      4.748896
  N      -5.459933     -8.734924      6.361940
  N      -5.478501     -9.831020      6.482377
80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca E -7809.023918928026
  N      -3.325171     -3.570600      3.073293
  C      -2.747015     -4.299728      1.943853
  C      -2.293431     -5.672971      2.385739
  N      -3.327156     -6.279035      3.263838
  C      -4.562866     -6.599779      2.475380
  C      -5.792809     -6.300157      3.310690
  N      -5.621275     -5.056929      4.059407
  Mo     -3.729687     -4.681694      4.826754
  N      -2.554870     -6.168759      5.858397
  C      -1.860377     -7.136477      5.018424
  C      -2.806624     -7.512618      3.904905
  H      -1.603187     -8.042890      5.589660
  H      -0.910051     -6.733545      4.618475
  H      -3.666858     -8.045087      4.331219
  H      -2.327068     -8.162412      3.152633
  H      -6.688914     -6.287475      2.670359
  H      -5.946277     -7.106899      4.052874
  H      -4.562076     -5.983300      1.569717
  H      -4.531005     -7.653394      2.155419
  H      -1.883087     -3.755366      1.524271
  H      -3.477299     -4.390235      1.119196
  H      -1.362439     -5.602771      2.961736
  H      -2.106487     -6.319784      1.509743
  C      -3.799812     -2.326906      2.790383
  C      -3.778299     -1.807858      1.462326
  C      -4.320636     -0.584123      1.125327
  Cl     -4.241289     -0.140594     -0.549977
  C      -4.929460      0.263569      2.100291
  C      -5.606623      1.527633      1.805066
  O      -5.679056      2.085817      0.709082
  C      -6.307538      2.342263      2.901772
  O      -5.831466      2.629020      3.984068
  C      -4.903200     -0.209178      3.413413
  C      -4.364512     -1.449580      3.797883
  C      -4.468090     -1.774460      5.173144
  O      -4.208035     -2.921712      5.678386
  C      -6.601080     -4.088776      4.041109
  C      -6.963485     -3.461399      5.259671
  C      -7.883950     -2.434762      5.313597
  Cl     -8.209860     -1.751484      6.878589
  C      -8.515299     -1.933220      4.140269
  C      -9.476630     -0.832220      4.103612
  O     -10.128546     -0.376280      5.046293
  C      -9.650749     -0.012252      2.818416
  O      -8.725476      0.375229      2.130070
  C      -8.175616     -2.568349      2.938373
  C      -7.260072     -3.618373      2.851589
  C      -6.844727     -4.021864      1.503105
  O      -7.474868     -3.817941      0.471100
  C      -2.129945     -6.033175      7.127784
  C      -0.881128     -6.546070      7.587157
  C      -0.436288     -6.330758      8.877660
  Cl      1.167218     -6.885956      9.234105
  C      -1.211828     -5.635045      9.857186
  C      -0.803221     -5.442876     11.251349
  O       0.069330     -6.087732     11.844532
  C      -1.439161     -4.322838     12.084303
  O      -2.056401     -3.360882     11.667002
  C      -2.474103     -5.198725      9.425679
  C      -2.941224     -5.369539      8.120779
  C      -4.325762     -5.137053      7.846285
  O      -4.854921     -5.191046      6.713882
  H      -3.350205     -2.389278      0.651084
  H      -7.242339      2.812430      2.514120
  H      -5.336112      0.410857      4.197669
  H      -4.847835     -1.011061      5.865898
  H      -6.506493     -3.821213      6.177397
  H     -10.700861      0.334490      2.662782
  H      -8.595875     -2.203412      1.997346
  H      -5.847318     -4.514154      1.452606
  H      -0.211856     -7.058216      6.899330
  H      -1.160727     -4.434938     13.161110
  H      -3.145350     -4.732856     10.146310
  H      -4.987935     -4.964564      8.716280
  N      -1.624918     -3.670127      5.294254
  H      -0.786299     -4.217199      5.084787
  H      -1.566186     -3.405021      6.282493
  H      -1.565995     -2.807784      4.747020
  N      -5.444964     -8.738628      6.356503
  N      -5.455794     -9.835100      6.475905
