91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.071285347166
  N      -2.803650      1.032255      5.633869
  Mo     -3.949111      2.563545      4.625113
  N      -5.346031      2.759240      6.322002
  C      -5.044464      3.653011      7.415921
  C      -4.076353      2.974597      8.409719
  N      -2.790551      2.710763      7.811609
  C      -2.200798      1.404197      7.963465
  C      -1.751389      0.835314      6.594758
  C      -1.873026      3.823762      7.772907
  C      -1.455783      4.170681      6.321193
  N      -2.585069      4.036195      5.440093
  H      -0.851838      1.353595      6.249288
  H      -1.519669     -0.232036      6.703628
  H      -1.330656      1.426049      8.634807
  H      -2.944413      0.723713      8.383275
  H      -1.061665      5.194560      6.292426
  H      -0.674070      3.486596      5.977629
  H      -2.360841      4.700687      8.205876
  H      -0.965971      3.611947      8.353353
  H      -5.959566      3.930595      7.961153
  H      -4.587780      4.566001      7.021194
  H      -4.532478      2.032278      8.721170
  H      -3.987097      3.620337      9.296127
  C      -4.259795     -4.151200      7.696958
  C      -5.671384     -3.743874      7.263021
  C      -5.692153     -3.389314      5.804099
  C      -5.847570     -4.377685      4.837068
  C      -5.827595     -4.063876      3.489247
  C      -5.625715     -2.757716      3.084222
  C      -5.442089     -1.758381      4.036072
  C      -5.217885     -0.364292      3.586284
  O      -5.735176      0.063603      2.538182
  N      -4.405782      0.435148      4.310653
  C      -3.450300      0.029241      5.132928
  C      -5.499873     -2.079160      5.390635
  C      -0.606876      8.337296      0.419430
  C      -0.739390      8.372124      1.944799
  C      -2.180652      8.254808      2.347616
  C      -2.994298      9.381681      2.412973
  C      -4.338408      9.271171      2.723428
  C      -4.893817      8.030043      2.980522
  C      -4.088958      6.895919      2.945634
  C      -4.701145      5.558334      3.188417
  O      -5.671696      5.188206      2.508047
  N      -4.169782      4.749570      4.130046
  C      -3.116956      5.072993      4.888494
  C      -2.740348      7.013143      2.619395
  C     -10.747872     -3.408088      6.902167
  C      -9.289977     -3.472061      6.437297
  C      -9.054153     -2.503157      5.314869
  C      -9.408484     -2.837801      4.012133
  C      -9.275047     -1.924594      2.981521
  C      -8.786241     -0.656983      3.238727
  C      -8.398647     -0.315425      4.528463
  C      -7.878416      1.049884      4.792380
  O      -8.318345      2.044662      4.164994
  N      -6.885596      1.136817      5.662075
  C      -6.510740      2.197480      6.353033
  C      -8.536001     -1.239317      5.556983
  H      -3.919247     -5.006135      7.118923
  H      -3.562194     -3.331254      7.541567
  H      -4.255248     -4.417197      8.750546
  H      -6.353042     -4.573929      7.447974
  H      -5.997561     -2.885679      7.852701
  H      -5.997906     -5.400917      5.145772
  H      -5.966436     -4.836945      2.749645
  H      -5.599177     -2.488213      2.038641
  H      -3.165197     -1.019892      5.284000
  H      -5.434937     -1.282421      6.119924
  H       0.437712      8.423516      0.132659
  H      -1.000156      7.402031      0.026166
  H      -1.162132      9.157074     -0.029096
  H      -0.167691      7.547037      2.372857
  H      -0.330071      9.311503      2.318427
  H      -2.570096     10.352973      2.209090
  H      -4.960839     10.151653      2.761983
  H      -5.942930      7.923069      3.214685
  H      -2.746049      6.097481      5.015090
  H      -2.132463      6.119550      2.550215
  H     -11.418315     -3.654163      6.082826
  H     -10.989184     -2.406060      7.250127
  H     -10.913848     -4.110204      7.715005
  H      -9.066132     -4.483714      6.097545
  H      -8.634543     -3.229073      7.273206
  H      -9.799248     -3.822730      3.805178
  H      -9.556646     -2.194448      1.974684
  H      -8.680259      0.076698      2.450752
  H      -7.238551      2.554118      7.110515
  H      -8.245171     -0.949027      6.557170
  N      -2.694421      2.452234      2.907480
  H      -2.094173      2.398983      2.085758
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.105023291365
  N      -2.765080      1.017879      5.680730
  Mo     -3.911657      2.547234      4.665007
  N      -5.305529      2.758525      6.343580
  C      -4.995346      3.656588      7.448920
  C      -4.040119      2.980618      8.456308
  N      -2.747916      2.708426      7.865635
  C      -2.156672      1.401080      8.016567
  C      -1.710075      0.834632      6.644923
  C      -1.825370      3.818604      7.814184
  C      -1.411056      4.151660      6.357866
  N      -2.543607      4.025206      5.474262
  H      -0.806543      1.354602      6.297402
  H      -1.475536     -0.235961      6.752806
  H      -1.280699      1.422192      8.690976
  H      -2.902087      0.717367      8.440088
  H      -1.011156      5.176620      6.319014
  H      -0.627911      3.460912      6.016305
  H      -2.310347      4.705204      8.243217
  H      -0.913699      3.608165      8.399818
  H      -5.915613      3.943899      7.983078
  H      -4.528448      4.569390      7.058253
  H      -4.501533      2.037207      8.772688
  H      -3.955859      3.633971      9.344976
  C      -4.178142     -4.178007      7.791075
  C      -5.596858     -3.751235      7.381409
  C      -5.659305     -3.413954      5.914294
  C      -5.865254     -4.411776      4.957040
  C      -5.891278     -4.104564      3.598948
  C      -5.685735     -2.797100      3.174164
  C      -5.448128     -1.790291      4.114096
  C      -5.223331     -0.393690      3.641836
  O      -5.764715      0.029743      2.611865
  N      -4.384886      0.414247      4.363557
  C      -3.417918      0.006769      5.183379
  C      -5.460519     -2.105324      5.478326
  C      -0.653035      8.332049      0.315730
  C      -0.767365      8.381257      1.847829
  C      -2.203520      8.258846      2.287395
  C      -3.028031      9.385896      2.360952
  C      -4.372284      9.267175      2.704219
  C      -4.916328      8.018197      2.985650
  C      -4.101085      6.883886      2.943872
  C      -4.705788      5.539313      3.210774
  O      -5.684986      5.164838      2.554730
  N      -4.146544      4.734366      4.164249
  C      -3.081664      5.065691      4.916178
  C      -2.753406      7.010457      2.586566
  C     -10.709546     -3.526457      6.749831
  C      -9.270249     -3.521271      6.210974
  C      -9.092670     -2.471245      5.144023
  C      -9.490052     -2.724332      3.827555
  C      -9.400803     -1.736023      2.850888
  C      -8.917376     -0.474620      3.177890
  C      -8.486095     -0.213069      4.479530
  C      -7.956552      1.142720      4.810850
  O      -8.425897      2.163325      4.255740
  N      -6.913768      1.179542      5.655321
  C      -6.502248      2.206540      6.370947
  C      -8.578823     -1.211203      5.451952
  H      -3.861386     -5.054278      7.215172
  H      -3.463545     -3.367627      7.604260
  H      -4.147069     -4.430731      8.857080
  H      -6.295432     -4.568705      7.599746
  H      -5.896612     -2.874734      7.970441
  H      -6.023786     -5.439271      5.282266
  H      -6.074891     -4.886859      2.865414
  H      -5.706701     -2.531975      2.120314
  H      -3.138204     -1.044825      5.340458
  H      -5.358623     -1.300833      6.205078
  H       0.394438      8.422700      0.006620
  H      -1.048293      7.384602     -0.067852
  H      -1.223697      9.149214     -0.138595
  H      -0.178694      7.561057      2.278806
  H      -0.353563      9.331534      2.209168
  H      -2.611493     10.367044      2.137048
  H      -5.004646     10.151526      2.748874
  H      -5.967299      7.906482      3.243681
  H      -2.710704      6.093420      5.036503
  H      -2.134234      6.115539      2.512438
  H     -11.420627     -3.732337      5.942470
  H     -10.958396     -2.550512      7.181737
  H     -10.827796     -4.292471      7.525201
  H      -9.038929     -4.509343      5.791495
  H      -8.575088     -3.323934      7.036845
  H      -9.876723     -3.708920      3.565733
  H      -9.713579     -1.945709      1.829566
  H      -8.843049      0.314415      2.433069
  H      -7.215041      2.581388      7.134160
  H      -8.248341     -0.986410      6.465925
  N      -2.750688      2.433322      3.005618
  H      -2.166852      2.375513      2.166425
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.134386923085
  N      -2.752444      1.013634      5.689042
  Mo     -3.892365      2.546397      4.666371
  N      -5.289396      2.762858      6.323864
  C      -4.986241      3.662916      7.440629
  C      -4.045316      2.986724      8.459212
  N      -2.745844      2.710328      7.879787
  C      -2.154294      1.402342      8.031297
  C      -1.701784      0.838029      6.660687
  C      -1.819135      3.817430      7.830111
  C      -1.397741      4.146042      6.376071
  N      -2.526460      4.027850      5.484227
  H      -0.793880      1.358450      6.317849
  H      -1.467259     -0.235258      6.767777
  H      -1.279027      1.422007      8.712680
  H      -2.903202      0.716529      8.452047
  H      -0.993984      5.171635      6.336001
  H      -0.612314      3.452567      6.037874
  H      -2.304098      4.708750      8.256535
  H      -0.909004      3.605251      8.424154
  H      -5.914649      3.952222      7.961237
  H      -4.513562      4.577095      7.057003
  H      -4.509560      2.041003      8.773148
  H      -3.970449      3.641641      9.351597
  C      -4.159248     -4.194332      7.796571
  C      -5.581254     -3.766168      7.391418
  C      -5.658650     -3.431848      5.921328
  C      -5.878893     -4.430432      4.961310
  C      -5.918261     -4.118107      3.598683
  C      -5.710736     -2.806034      3.172107
  C      -5.457795     -1.799457      4.113323
  C      -5.230495     -0.398913      3.633648
  O      -5.771474      0.024425      2.613981
  N      -4.375080      0.410602      4.365691
  C      -3.407037     -0.001790      5.188041
  C      -5.459120     -2.119979      5.481224
  C      -0.629206      8.350349      0.297485
  C      -0.754981      8.399915      1.831206
  C      -2.193474      8.275485      2.273153
  C      -3.023638      9.404208      2.347088
  C      -4.373022      9.281221      2.692872
  C      -4.916147      8.026845      2.975791
  C      -4.096045      6.890662      2.933865
  C      -4.703118      5.541989      3.201779
  O      -5.678104      5.167844      2.551831
  N      -4.131917      4.736443      4.166995
  C      -3.065197      5.072160      4.921753
  C      -2.744403      7.022336      2.575350
  C     -10.685476     -3.558797      6.764139
  C      -9.254635     -3.529873      6.197675
  C      -9.100095     -2.475236      5.127459
  C      -9.511382     -2.728567      3.810255
  C      -9.441155     -1.731128      2.832244
  C      -8.964292     -0.461468      3.158858
  C      -8.518402     -0.199566      4.460358
  C      -7.992081      1.163538      4.791206
  O      -8.476749      2.176450      4.247748
  N      -6.925322      1.194778      5.632246
  C      -6.508954      2.211114      6.348323
  C      -8.591762     -1.206294      5.432151
  H      -3.843367     -5.077172      7.221325
  H      -3.440183     -3.383014      7.601171
  H      -4.117673     -4.444376      8.867798
  H      -6.284051     -4.582732      7.619594
  H      -5.876953     -2.884442      7.981439
  H      -6.039261     -5.462591      5.287789
  H      -6.114471     -4.901958      2.863229
  H      -5.744275     -2.538116      2.115228
  H      -3.132528     -1.055219      5.347553
  H      -5.346820     -1.316778      6.212968
  H       0.423567      8.442998     -0.009993
  H      -1.021564      7.399247     -0.091909
  H      -1.200205      9.169054     -0.164521
  H      -0.164495      7.579272      2.267785
  H      -0.342097      9.353577      2.196142
  H      -2.607518     10.390724      2.121670
  H      -5.009308     10.168415      2.737790
  H      -5.970803      7.913723      3.234577
  H      -2.694793      6.101561      5.041975
  H      -2.119024      6.126808      2.501318
  H     -11.412706     -3.773926      5.967353
  H     -10.943860     -2.584567      7.205308
  H     -10.783116     -4.330879      7.543361
  H      -9.014413     -4.517592      5.771914
  H      -8.545518     -3.325660      7.014885
  H      -9.893419     -3.720690      3.548856
  H      -9.764470     -1.942586      1.809864
  H      -8.904737      0.332638      2.413706
  H      -7.211368      2.601067      7.113676
  H      -8.249182     -0.983248      6.447064
  N      -2.825386      2.439574      3.112821
  H      -2.251977      2.381074      2.265309
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.149932291589
  N      -2.740504      1.000540      5.698009
  Mo     -3.871031      2.537030      4.666031
  N      -5.278313      2.763739      6.307516
  C      -4.983178      3.663741      7.432020
  C      -4.054267      2.988953      8.459466
  N      -2.748025      2.710518      7.891361
  C      -2.155998      1.401942      8.044652
  C      -1.695601      0.835683      6.677796
  C      -1.819553      3.817618      7.840133
  C      -1.389240      4.142200      6.388233
  N      -2.512003      4.029079      5.487886
  H      -0.784483      1.355289      6.339645
  H      -1.459749     -0.237973      6.787447
  H      -1.283541      1.421517      8.732267
  H      -2.907452      0.715792      8.462938
  H      -0.982859      5.167704      6.345941
  H      -0.601077      3.447737      6.055899
  H      -2.305966      4.711643      8.262029
  H      -0.912287      3.607453      8.442112
  H      -5.918801      3.955787      7.939321
  H      -4.505773      4.578660      7.054944
  H      -4.518741      2.041798      8.771744
  H      -3.987960      3.644774      9.353609
  C      -4.129512     -4.213348      7.810566
  C      -5.551848     -3.776762      7.415841
  C      -5.646940     -3.446415      5.945242
  C      -5.889407     -4.444509      4.988176
  C      -5.948323     -4.131050      3.624999
  C      -5.737911     -2.819392      3.194247
  C      -5.461050     -1.813857      4.131057
  C      -5.232712     -0.413693      3.639576
  O      -5.777616      0.010012      2.628557
  N      -4.363755      0.396249      4.373575
  C      -3.396004     -0.017897      5.195840
  C      -5.443928     -2.135464      5.499468
  C      -0.622651      8.353334      0.281800
  C      -0.754201      8.402531      1.815145
  C      -2.191998      8.275526      2.260838
  C      -3.025805      9.402979      2.336946
  C      -4.375768      9.275810      2.685992
  C      -4.915805      8.018889      2.969216
  C      -4.092446      6.883568      2.925285
  C      -4.700451      5.532265      3.193074
  O      -5.674502      5.155290      2.551056
  N      -4.118199      4.730198      4.164779
  C      -3.051822      5.072358      4.918680
  C      -2.740969      7.020261      2.565116
  C     -10.633731     -3.592035      6.744887
  C      -9.218117     -3.528506      6.144126
  C      -9.098798     -2.456066      5.086424
  C      -9.530594     -2.693816      3.771527
  C      -9.488983     -1.678460      2.807641
  C      -9.022535     -0.406699      3.146324
  C      -8.555484     -0.159756      4.444701
  C      -8.034285      1.205369      4.787060
  O      -8.534922      2.218515      4.271617
  N      -6.942339      1.221954      5.610715
  C      -6.515075      2.222518      6.332149
  C      -8.599598     -1.184117      5.400940
  H      -3.822538     -5.102232      7.236754
  H      -3.404649     -3.407997      7.604172
  H      -4.075906     -4.459543      8.883707
  H      -6.260759     -4.586319      7.656461
  H      -5.836722     -2.890118      8.006052
  H      -6.053947     -5.476529      5.317782
  H      -6.164270     -4.914690      2.892960
  H      -5.792025     -2.551197      2.137214
  H      -3.127875     -1.072570      5.359913
  H      -5.315502     -1.334069      6.232018
  H       0.431504      8.448240     -0.025580
  H      -1.012153      7.400987     -0.111402
  H      -1.194205      9.171406     -0.184300
  H      -0.161524      7.583437      2.254729
  H      -0.342269      9.357147      2.182502
  H      -2.612051     10.391925      2.111035
  H      -5.014069     10.163021      2.732715
  H      -5.971100      7.904206      3.229176
  H      -2.683643      6.103355      5.036161
  H      -2.110752      6.126838      2.490251
  H     -11.379192     -3.807509      5.962933
  H     -10.900184     -2.628991      7.208930
  H     -10.702408     -4.378367      7.515099
  H      -8.969384     -4.506784      5.698313
  H      -8.491537     -3.326987      6.948347
  H      -9.904442     -3.688082      3.500682
  H      -9.827136     -1.879649      1.786683
  H      -8.984924      0.399903      2.411982
  H      -7.203572      2.632432      7.100337
  H      -8.238771     -0.975297      6.413870
  N      -2.905133      2.435200      3.215128
  H      -2.349957      2.374818      2.356592
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.155711505658
  N      -2.708494      0.976106      5.721749
  Mo     -3.814612      2.514796      4.665999
  N      -5.270913      2.758440      6.275153
  C      -4.994191      3.651278      7.409847
  C      -4.085391      2.978830      8.454177
  N      -2.763551      2.703870      7.919172
  C      -2.173992      1.393724      8.078486
  C      -1.684002      0.824445      6.723827
  C      -1.840441      3.817954      7.869487
  C      -1.380093      4.138284      6.425009
  N      -2.482410      4.025523      5.501029
  H      -0.766938      1.343917      6.403503
  H      -1.444298     -0.247482      6.841564
  H      -1.317239      1.409726      8.785240
  H      -2.934274      0.708633      8.481216
  H      -0.971166      5.162810      6.384986
  H      -0.583756      3.444707      6.112475
  H      -2.339686      4.711641      8.275704
  H      -0.944699      3.621351      8.492335
  H      -5.940385      3.946070      7.895969
  H      -4.510283      4.568697      7.047320
  H      -4.551014      2.030004      8.757924
  H      -4.040109      3.633107      9.350432
  C      -4.092494     -4.249707      7.818573
  C      -5.512022     -3.793368      7.442258
  C      -5.625534     -3.459713      5.974669
  C      -5.908597     -4.449396      5.021763
  C      -5.995393     -4.130797      3.663110
  C      -5.769112     -2.823864      3.231284
  C      -5.445127     -1.828537      4.162373
  C      -5.203843     -0.433554      3.663888
  O      -5.749981     -0.005227      2.654593
  N      -4.326213      0.370824      4.391597
  C      -3.359000     -0.043247      5.212627
  C      -5.405407     -2.153243      5.527740
  C      -0.647047      8.356698      0.259293
  C      -0.770733      8.408918      1.791718
  C      -2.202295      8.269540      2.250209
  C      -3.045453      9.387939      2.331528
  C      -4.389827      9.248341      2.690709
  C      -4.915652      7.987666      2.976512
  C      -4.082707      6.860997      2.927237
  C      -4.678683      5.504407      3.194863
  O      -5.659110      5.120438      2.565754
  N      -4.082409      4.709543      4.161795
  C      -3.018682      5.061645      4.914504
  C      -2.736046      7.011040      2.561532
  C     -10.546857     -3.595514      6.736082
  C      -9.160394     -3.502666      6.077646
  C      -9.094486     -2.413206      5.034303
  C      -9.570149     -2.635538      3.733424
  C      -9.575181     -1.605854      2.786373
  C      -9.115609     -0.334034      3.128853
  C      -8.602030     -0.102493      4.411134
  C      -8.079009      1.261484      4.756297
  O      -8.613373      2.281494      4.291996
  N      -6.954636      1.265908      5.532127
  C      -6.517615      2.246950      6.273331
  C      -8.596400     -1.142426      5.349168
  H      -3.804385     -5.142070      7.242065
  H      -3.359140     -3.456108      7.601804
  H      -4.026551     -4.496038      8.889818
  H      -6.231153     -4.589172      7.695161
  H      -5.777630     -2.904665      8.037164
  H      -6.089403     -5.476916      5.352503
  H      -6.249254     -4.906285      2.936349
  H      -5.856222     -2.549578      2.178679
  H      -3.100891     -1.098743      5.385877
  H      -5.247889     -1.358142      6.260113
  H       0.402961      8.461044     -0.055119
  H      -1.029394      7.400810     -0.130082
  H      -1.228583      9.166735     -0.206425
  H      -0.165991      7.599685      2.231663
  H      -0.363644      9.366126      2.155649
  H      -2.643069     10.379568      2.103075
  H      -5.034612     10.129061      2.742818
  H      -5.967772      7.863679      3.240850
  H      -2.656537      6.095034      5.028249
  H      -2.095967      6.125803      2.487274
  H     -11.322395     -3.808339      5.984404
  H     -10.807160     -2.645027      7.226808
  H     -10.573755     -4.394127      7.494566
  H      -8.914453     -4.469882      5.608906
  H      -8.402301     -3.308202      6.852823
  H      -9.939357     -3.629393      3.460019
  H      -9.945117     -1.796579      1.775669
  H      -9.114662      0.483693      2.406849
  H      -7.206976      2.677565      7.030041
  H      -8.195070     -0.948294      6.348445
  N      -2.901889      2.408891      3.201924
  H      -2.378279      2.344989      2.323997
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.160614785515
  N      -2.679457      0.958657      5.724495
  Mo     -3.754583      2.505368      4.650565
  N      -5.266891      2.756180      6.222329
  C      -5.013888      3.644829      7.364534
  C      -4.128126      2.972961      8.425921
  N      -2.790927      2.698397      7.928336
  C      -2.205635      1.387085      8.091696
  C      -1.679922      0.817603      6.751548
  C      -1.872067      3.815301      7.890893
  C      -1.377883      4.138245      6.459752
  N      -2.457352      4.031793      5.510265
  H      -0.755289      1.336663      6.454560
  H      -1.438066     -0.253121      6.877452
  H      -1.367781      1.397610      8.820436
  H      -2.976438      0.702838      8.474241
  H      -0.966213      5.162033      6.430977
  H      -0.572713      3.447774      6.165165
  H      -2.384088      4.706656      8.284882
  H      -0.990725      3.626591      8.535771
  H      -5.970772      3.941202      7.828103
  H      -4.524072      4.566102      7.017850
  H      -4.596581      2.022725      8.719282
  H      -4.104508      3.624346      9.324783
  C      -4.097783     -4.275725      7.782443
  C      -5.513969     -3.824216      7.394981
  C      -5.616490     -3.475781      5.930859
  C      -5.899079     -4.452892      4.966774
  C      -5.984679     -4.118500      3.613802
  C      -5.751671     -2.809658      3.197712
  C      -5.419668     -1.827802      4.138956
  C      -5.163781     -0.434124      3.647641
  O      -5.695866      0.002247      2.632408
  N      -4.283610      0.358239      4.380671
  C      -3.323743     -0.059130      5.203637
  C      -5.388539     -2.166291      5.499529
  C      -0.644811      8.388387      0.270232
  C      -0.771408      8.438698      1.800632
  C      -2.200071      8.285605      2.260425
  C      -3.053140      9.394556      2.343977
  C      -4.394380      9.241462      2.702916
  C      -4.907852      7.976354      2.984177
  C      -4.064790      6.858738      2.932761
  C      -4.649691      5.496476      3.193671
  O      -5.629611      5.104537      2.566563
  N      -4.044907      4.705143      4.154202
  C      -2.991336      5.063945      4.916191
  C      -2.720814      7.022976      2.570378
  C     -10.553350     -3.520560      6.837909
  C      -9.173120     -3.463417      6.166528
  C      -9.100430     -2.409152      5.090019
  C      -9.585116     -2.666638      3.800427
  C      -9.590579     -1.666219      2.825332
  C      -9.127209     -0.387261      3.128743
  C      -8.600075     -0.122155      4.397751
  C      -8.075065      1.250936      4.703867
  O      -8.626645      2.260618      4.236012
  N      -6.931085      1.272166      5.444024
  C      -6.513262      2.257480      6.190181
  C      -8.587928     -1.135682      5.362294
  H      -3.796812     -5.160727      7.202571
  H      -3.366595     -3.477379      7.579576
  H      -4.040225     -4.530223      8.851150
  H      -6.234375     -4.621656      7.636536
  H      -5.791197     -2.943672      7.996082
  H      -6.086341     -5.481868      5.285390
  H      -6.243733     -4.883726      2.879514
  H      -5.843880     -2.522121      2.149717
  H      -3.076537     -1.116276      5.381174
  H      -5.231105     -1.382516      6.242918
  H       0.403310      8.503092     -0.043236
  H      -1.017348      7.430308     -0.121319
  H      -1.232932      9.191922     -0.196720
  H      -0.157690      7.638106      2.243043
  H      -0.371343      9.397189      2.167545
  H      -2.660549     10.389589      2.118380
  H      -5.046159     10.115621      2.758046
  H      -5.958676      7.842266      3.245434
  H      -2.636534      6.099127      5.034787
  H      -2.070380      6.146181      2.497663
  H     -11.337976     -3.747942      6.101099
  H     -10.800894     -2.553591      7.300675
  H     -10.583562     -4.293994      7.620509
  H      -8.937566     -4.447219      5.730197
  H      -8.405887     -3.257688      6.927943
  H      -9.961920     -3.664695      3.558954
  H      -9.967914     -1.885021      1.824032
  H      -9.132231      0.409983      2.384569
  H      -7.217008      2.704403      6.923898
  H      -8.175580     -0.917561      6.351023
  N      -2.885383      2.403035      3.155945
  H      -2.401029      2.338856      2.255852
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.164449390331
  N      -2.657086      0.939134      5.737430
  Mo     -3.709654      2.490677      4.654425
  N      -5.258658      2.755791      6.198545
  C      -5.012796      3.639540      7.344136
  C      -4.141058      2.966088      8.412926
  N      -2.796205      2.691839      7.938057
  C      -2.214067      1.381786      8.104633
  C      -1.669145      0.809463      6.775727
  C      -1.881158      3.809471      7.902634
  C      -1.368728      4.129797      6.479379
  N      -2.436493      4.028848      5.517621
  H      -0.741909      1.328069      6.487871
  H      -1.422922     -0.258791      6.912046
  H      -1.386912      1.390076      8.844949
  H      -2.990600      0.699307      8.477707
  H      -0.951689      5.151543      6.456834
  H      -0.561246      3.438676      6.194958
  H      -2.400206      4.700238      8.287623
  H      -1.007530      3.627981      8.559393
  H      -5.972619      3.941417      7.797692
  H      -4.517552      4.561921      7.006772
  H      -4.610973      2.015309      8.701262
  H      -4.128092      3.615339      9.312929
  C      -4.085035     -4.286596      7.793887
  C      -5.503215     -3.834385      7.421327
  C      -5.620772     -3.479792      5.960586
  C      -5.924402     -4.450546      4.997627
  C      -6.021622     -4.111617      3.647369
  C      -5.777804     -2.805370      3.232610
  C      -5.426022     -1.829312      4.172862
  C      -5.155738     -0.441031      3.677523
  O      -5.683187     -0.001772      2.660242
  N      -4.264789      0.340405      4.404120
  C      -3.305289     -0.078517      5.220335
  C      -5.385483     -2.171184      5.531077
  C      -0.665830      8.383614      0.264344
  C      -0.787298      8.439963      1.793122
  C      -2.212272      8.280487      2.259540
  C      -3.071258      9.383986      2.343154
  C      -4.409226      9.224017      2.708165
  C      -4.913847      7.957188      2.993942
  C      -4.064454      6.845003      2.942374
  C      -4.639987      5.480462      3.207849
  O      -5.623866      5.081338      2.590633
  N      -4.021419      4.693708      4.159435
  C      -2.971894      5.057893      4.920733
  C      -2.723683      7.016373      2.575582
  C     -10.486010     -3.516372      6.820271
  C      -9.124807     -3.451408      6.115769
  C      -9.080017     -2.387247      5.049035
  C      -9.599580     -2.631576      3.770972
  C      -9.636394     -1.620413      2.809107
  C      -9.169909     -0.343846      3.114876
  C      -8.606688     -0.092055      4.370507
  C      -8.084712      1.280849      4.682446
  O      -8.665792      2.291815      4.254259
  N      -6.911797      1.300908      5.371191
  C      -6.507807      2.277620      6.136542
  C      -8.561643     -1.116892      5.320988
  H      -3.787890     -5.168777      7.209113
  H      -3.356071     -3.488556      7.586813
  H      -4.016812     -4.544273      8.860216
  H      -6.221761     -4.630651      7.668888
  H      -5.775938     -2.957402      8.029238
  H      -6.117271     -5.477821      5.315297
  H      -6.295751     -4.871995      2.914737
  H      -5.877087     -2.514490      2.186941
  H      -3.068371     -1.137096      5.402881
  H      -5.211967     -1.393544      6.276741
  H       0.379470      8.503260     -0.053374
  H      -1.033876      7.422642     -0.122471
  H      -1.259900      9.180637     -0.204617
  H      -0.166092      7.647258      2.238503
  H      -0.389752      9.400619      2.155953
  H      -2.685785     10.379909      2.113589
  H      -5.064841     10.094213      2.764490
  H      -5.962580      7.817868      3.257990
  H      -2.619321      6.093838      5.037780
  H      -2.066928      6.144963      2.505397
  H     -11.288948     -3.737418      6.102600
  H     -10.723708     -2.555081      7.298094
  H     -10.496203     -4.296568      7.595253
  H      -8.896334     -4.430868      5.666559
  H      -8.338558     -3.254250      6.859231
  H      -9.980103     -3.627017      3.528907
  H     -10.040739     -1.829373      1.817097
  H      -9.202540      0.462545      2.381822
  H      -7.225503      2.737559      6.847391
  H      -8.120416     -0.910862      6.299090
  N      -2.900249      2.383354      3.126058
  H      -2.472913      2.311163      2.199243
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.167858659937
  N      -2.616446      0.919465      5.757151
  Mo     -3.643865      2.473829      4.666490
  N      -5.234903      2.748046      6.177082
  C      -5.005495      3.627780      7.327061
  C      -4.150079      2.955113      8.406648
  N      -2.795208      2.686158      7.957469
  C      -2.213212      1.376848      8.128485
  C      -1.644511      0.800799      6.811512
  C      -1.888662      3.810761      7.927855
  C      -1.356044      4.134488      6.513357
  N      -2.408503      4.032209      5.535991
  H      -0.714652      1.320703      6.536351
  H      -1.393046     -0.264979      6.958490
  H      -1.399163      1.383853      8.883351
  H      -2.995464      0.694571      8.489401
  H      -0.939405      5.156618      6.499116
  H      -0.541887      3.447059      6.240569
  H      -2.420933      4.697766      8.303505
  H      -1.023433      3.640941      8.598881
  H      -5.971611      3.930471      7.766413
  H      -4.507340      4.553180      7.001207
  H      -4.619828      2.001968      8.686701
  H      -4.153959      3.601762      9.308632
  C      -4.071333     -4.299073      7.784933
  C      -5.488700     -3.837078      7.421545
  C      -5.613383     -3.478191      5.961669
  C      -5.942926     -4.442235      4.997492
  C      -6.051350     -4.098255      3.649085
  C      -5.789156     -2.795141      3.236446
  C      -5.408673     -1.826533      4.176996
  C      -5.115140     -0.443560      3.680061
  O      -5.628244      0.001295      2.656966
  N      -4.222170      0.325548      4.414005
  C      -3.266821     -0.097004      5.235550
  C      -5.360876     -2.171615      5.534215
  C      -0.682503      8.379210      0.264395
  C      -0.810366      8.453157      1.790925
  C      -2.233814      8.278529      2.255298
  C      -3.108085      9.370425      2.325269
  C      -4.443897      9.195162      2.689445
  C      -4.931556      7.924261      2.986108
  C      -4.067047      6.823647      2.947239
  C      -4.625556      5.453689      3.221261
  O      -5.608701      5.038873      2.611004
  N      -3.991381      4.677479      4.169701
  C      -2.950996      5.055395      4.929604
  C      -2.728122      7.010458      2.583159
  C     -10.471756     -3.491885      6.833277
  C      -9.120911     -3.441830      6.100983
  C      -9.084997     -2.372934      5.032933
  C      -9.630750     -2.607827      3.759396
  C      -9.683042     -1.589719      2.799430
  C      -9.208856     -0.314921      3.103833
  C      -8.616167     -0.073359      4.352770
  C      -8.089894      1.300109      4.662561
  O      -8.701340      2.317312      4.268962
  N      -6.880097      1.316245      5.299236
  C      -6.487891      2.287444      6.081570
  C      -8.551515     -1.106789      5.300104
  H      -3.782380     -5.182593      7.197058
  H      -3.336940     -3.506067      7.574670
  H      -3.998335     -4.557766      8.850886
  H      -6.213863     -4.627263      7.673441
  H      -5.752856     -2.959867      8.034578
  H      -6.149754     -5.467114      5.313622
  H      -6.348659     -4.852657      2.916721
  H      -5.899861     -2.499537      2.192940
  H      -3.038578     -1.157021      5.421497
  H      -5.166527     -1.399877      6.283227
  H       0.361684      8.510589     -0.050898
  H      -1.035013      7.408419     -0.112384
  H      -1.286377      9.161172     -0.217636
  H      -0.178071      7.676526      2.250101
  H      -0.426127      9.422756      2.144504
  H      -2.736092     10.369268      2.086703
  H      -5.110810     10.056701      2.736451
  H      -5.979035      7.772918      3.247313
  H      -2.607705      6.094957      5.043006
  H      -2.057896      6.148582      2.525293
  H     -11.290462     -3.700751      6.127953
  H     -10.694991     -2.527456      7.320757
  H     -10.475030     -4.276340      7.608570
  H      -8.905420     -4.424887      5.645262
  H      -8.318498     -3.258602      6.832755
  H     -10.020764     -3.600798      3.520149
  H     -10.108178     -1.791534      1.811423
  H      -9.258162      0.498114      2.373408
  H      -7.222007      2.761733      6.766755
  H      -8.086548     -0.910706      6.273303
  N      -2.877669      2.370850      3.114480
  H      -2.508999      2.291550      2.160351
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.170388867357
  N      -2.564044      0.893261      5.763499
  Mo     -3.552643      2.453329      4.671290
  N      -5.194440      2.725184      6.130416
  C      -4.996712      3.603723      7.285038
  C      -4.167917      2.929195      8.384059
  N      -2.800166      2.666873      7.968835
  C      -2.221768      1.355548      8.146380
  C      -1.618892      0.777236      6.843803
  C      -1.903416      3.800667      7.959543
  C      -1.343515      4.138183      6.558444
  N      -2.374366      4.032188      5.557116
  H      -0.683204      1.299219      6.590421
  H      -1.366160     -0.287444      7.001916
  H      -1.426824      1.357992      8.923517
  H      -3.014412      0.672860      8.486135
  H      -0.931345      5.162504      6.562328
  H      -0.518910      3.457775      6.298278
  H      -2.453900      4.680784      8.326923
  H      -1.049874      3.640392      8.649422
  H      -5.974419      3.903174      7.703401
  H      -4.494822      4.532875      6.974649
  H      -4.641516      1.973057      8.648960
  H      -4.197037      3.571923      9.289771
  C      -4.142647     -4.295611      7.714212
  C      -5.547696     -3.833547      7.311157
  C      -5.628955     -3.470288      5.852191
  C      -5.941973     -4.426624      4.878634
  C      -6.016452     -4.072752      3.532037
  C      -5.732651     -2.768787      3.132293
  C      -5.363249     -1.810422      4.083758
  C      -5.037565     -0.428490      3.605773
  O      -5.508510      0.029663      2.570246
  N      -4.155379      0.318436      4.375254
  C      -3.213170     -0.117860      5.217933
  C      -5.352657     -2.163921      5.436999
  C      -0.692486      8.448573      0.293855
  C      -0.837162      8.522347      1.818878
  C      -2.260537      8.309116      2.269713
  C      -3.166012      9.378266      2.329613
  C      -4.501663      9.166772      2.681092
  C      -4.957781      7.881610      2.973742
  C      -4.062442      6.803477      2.944956
  C      -4.588262      5.419018      3.214267
  O      -5.559440      4.985173      2.599802
  N      -3.944995      4.654854      4.168234
  C      -2.927224      5.051109      4.936059
  C      -2.723467      7.026475      2.594478
  C     -10.567739     -3.322338      6.977161
  C      -9.209154     -3.354679      6.292036
  C      -9.111023     -2.371430      5.166612
  C      -9.627700     -2.685944      3.907654
  C      -9.626460     -1.742405      2.891044
  C      -9.130970     -0.461771      3.124505
  C      -8.564173     -0.143719      4.358340
  C      -8.015134      1.233932      4.594613
  O      -8.609603      2.222627      4.153743
  N      -6.800440      1.277714      5.216063
  C      -6.447653      2.269120      5.989278
  C      -8.548326     -1.104531      5.361582
  H      -3.835958     -5.177766      7.133920
  H      -3.403616     -3.501012      7.525867
  H      -4.099902     -4.556605      8.780293
  H      -6.280815     -4.622560      7.540658
  H      -5.829124     -2.957975      7.917655
  H      -6.166241     -5.451613      5.185432
  H      -6.304666     -4.819636      2.792063
  H      -5.818918     -2.463878      2.092226
  H      -2.992528     -1.180472      5.399296
  H      -5.169359     -1.399533      6.193675
  H       0.351717      8.608702     -0.011850
  H      -1.014276      7.466604     -0.084277
  H      -1.314132      9.212817     -0.196363
  H      -0.186625      7.764608      2.286703
  H      -0.482552      9.503278      2.174435
  H      -2.818780     10.387872      2.093596
  H      -5.192662     10.011024      2.721344
  H      -6.004364      7.701543      3.223753
  H      -2.599876      6.096088      5.050494
  H      -2.027973      6.182625      2.545498
  H     -11.371807     -3.562279      6.271357
  H     -10.766210     -2.326692      7.387417
  H     -10.616406     -4.044148      7.794647
  H      -9.017622     -4.367366      5.914195
  H      -8.421183     -3.139804      7.024579
  H     -10.037309     -3.682238      3.724291
  H     -10.028549     -2.005583      1.914806
  H      -9.142340      0.294419      2.349788
  H      -7.213993      2.757732      6.627511
  H      -8.102967     -0.850083      6.320863
  N      -2.804204      2.366713      3.125097
  H      -2.491293      2.284554      2.154479
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.173516642597
  N      -2.548122      0.876460      5.788540
  Mo     -3.512488      2.439531      4.700310
  N      -5.174508      2.730140      6.128034
  C      -4.980481      3.603010      7.285202
  C      -4.160472      2.924445      8.386988
  N      -2.789460      2.663187      7.983272
  C      -2.213590      1.352152      8.166251
  C      -1.608686      0.765003      6.871369
  C      -1.896039      3.799828      7.971753
  C      -1.331995      4.138604      6.573353
  N      -2.358995      4.031757      5.571055
  H      -0.673779      1.285461      6.615281
  H      -1.354767     -0.297071      7.039797
  H      -1.422816      1.353714      8.945628
  H      -3.008446      0.673281      8.505713
  H      -0.916675      5.161658      6.580668
  H      -0.508640      3.456046      6.315901
  H      -2.450776      4.678149      8.335200
  H      -1.045340      3.645642      8.664614
  H      -5.958675      3.904865      7.698560
  H      -4.474974      4.532703      6.982509
  H      -4.635894      1.967917      8.646325
  H      -4.196261      3.564251      9.293423
  C      -4.147733     -4.307045      7.732284
  C      -5.555940     -3.865126      7.320837
  C      -5.632714     -3.487704      5.864404
  C      -5.937847     -4.435612      4.883705
  C      -6.010759     -4.070301      3.539634
  C      -5.730534     -2.763886      3.149621
  C      -5.365113     -1.813173      4.107336
  C      -5.029473     -0.431316      3.632782
  O      -5.477242      0.022456      2.585061
  N      -4.146985      0.310674      4.406907
  C      -3.209605     -0.130118      5.249539
  C      -5.359816     -2.177458      5.458916
  C      -0.718574      8.414597      0.288281
  C      -0.867100      8.504449      1.812189
  C      -2.289617      8.287045      2.263102
  C      -3.201569      9.350090      2.312542
  C      -4.535961      9.133308      2.664238
  C      -4.984117      7.848803      2.967808
  C      -4.081973      6.777086      2.949945
  C      -4.596870      5.392077      3.233579
  O      -5.573679      4.949407      2.633562
  N      -3.936570      4.637169      4.184064
  C      -2.919733      5.044869      4.944786
  C      -2.744659      7.005422      2.598673
  C     -10.506285     -3.331781      6.972111
  C      -9.155020     -3.339808      6.243714
  C      -9.094546     -2.329233      5.124395
  C      -9.633509     -2.622596      3.865138
  C      -9.660622     -1.655745      2.857450
  C      -9.170271     -0.373812      3.101503
  C      -8.582459     -0.077134      4.334885
  C      -8.031000      1.297206      4.583085
  O      -8.642305      2.297926      4.180804
  N      -6.789905      1.326299      5.160286
  C      -6.435467      2.306462      5.950822
  C      -8.539239     -1.060433      5.328072
  H      -3.820998     -5.177043      7.146807
  H      -3.422166     -3.499618      7.558269
  H      -4.109492     -4.578398      8.796137
  H      -6.274457     -4.668443      7.537387
  H      -5.858198     -3.002189      7.933190
  H      -6.158043     -5.462902      5.182574
  H      -6.293907     -4.810640      2.794345
  H      -5.815443     -2.450042      2.111214
  H      -2.998174     -1.194223      5.433859
  H      -5.182969     -1.420483      6.221580
  H       0.324913      8.578009     -0.017120
  H      -1.033205      7.427119     -0.079364
  H      -1.343453      9.168731     -0.211607
  H      -0.213171      7.757257      2.289756
  H      -0.518972      9.490793      2.157906
  H      -2.860652     10.359075      2.068273
  H      -5.231954      9.973221      2.696995
  H      -6.029434      7.663932      3.218286
  H      -2.594973      6.091311      5.050632
  H      -2.044021      6.166746      2.559166
  H     -11.328013     -3.565187      6.280406
  H     -10.711782     -2.341514      7.405479
  H     -10.523964     -4.074288      7.786431
  H      -8.956309     -4.348096      5.844194
  H      -8.350937     -3.132442      6.964166
  H     -10.035919     -3.621193      3.673939
  H     -10.077765     -1.903649      1.880917
  H      -9.203082      0.400072      2.334794
  H      -7.211135      2.818764      6.557055
  H      -8.070552     -0.825130      6.285922
  N      -2.801144      2.342472      3.127158
  H      -2.549523      2.247184      2.140847
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.175349267549
  N      -2.498827      0.852252      5.800472
  Mo     -3.444617      2.410946      4.716068
  N      -5.131600      2.699006      6.099016
  C      -4.960382      3.566174      7.263635
  C      -4.147845      2.889485      8.372600
  N      -2.768330      2.643911      7.984672
  C      -2.183657      1.338424      8.178177
  C      -1.567464      0.747522      6.890797
  C      -1.888710      3.792015      7.982468
  C      -1.317542      4.142195      6.588741
  N      -2.335679      4.024086      5.579034
  H      -0.635624      1.275161      6.635697
  H      -1.306340     -0.310951      7.068395
  H      -1.399484      1.347543      8.963729
  H      -2.976773      0.656117      8.514400
  H      -0.909965      5.167860      6.605185
  H      -0.487310      3.464994      6.335715
  H      -2.458770      4.661878      8.342863
  H      -1.041844      3.648445      8.682358
  H      -5.946635      3.855340      7.667742
  H      -4.459504      4.503035      6.974608
  H      -4.618293      1.927291      8.619147
  H      -4.202532      3.524258      9.282361
  C      -4.121115     -4.322078      7.747493
  C      -5.528136     -3.835258      7.366560
  C      -5.626775     -3.470768      5.905157
  C      -6.001927     -4.418920      4.936770
  C      -6.087833     -4.068530      3.586584
  C      -5.755677     -2.778462      3.177745
  C      -5.331757     -1.826784      4.122674
  C      -4.959337     -0.458687      3.628847
  O      -5.397507     -0.009661      2.574961
  N      -4.089718      0.287766      4.413857
  C      -3.163172     -0.152778      5.262612
  C      -5.308319     -2.175110      5.481127
  C      -0.746915      8.443340      0.324948
  C      -0.918500      8.536582      1.846652
  C      -2.341584      8.286990      2.278282
  C      -3.279041      9.328551      2.312689
  C      -4.612932      9.081537      2.646063
  C      -5.034505      7.787659      2.947247
  C      -4.106865      6.737353      2.945228
  C      -4.592130      5.342166      3.229770
  O      -5.561133      4.881795      2.632544
  N      -3.916445      4.599089      4.180989
  C      -2.909790      5.026704      4.946234
  C      -2.770452      6.995893      2.610594
  C     -10.503621     -3.251913      6.955927
  C      -9.162213     -3.299310      6.210407
  C      -9.101027     -2.296819      5.084775
  C      -9.676542     -2.578686      3.833778
  C      -9.711891     -1.610846      2.823557
  C      -9.193309     -0.338870      3.057232
  C      -8.570875     -0.054637      4.282395
  C      -8.003104      1.313204      4.524526
  O      -8.646217      2.328738      4.183892
  N      -6.742981      1.330729      5.068139
  C      -6.393649      2.298665      5.876922
  C      -8.518495     -1.039701      5.277380
  H      -3.839278     -5.210103      7.159363
  H      -3.369004     -3.539811      7.549326
  H      -4.067215     -4.584094      8.815335
  H      -6.271444     -4.615698      7.605132
  H      -5.787255     -2.955334      7.981231
  H      -6.260695     -5.434569      5.250099
  H      -6.423301     -4.808589      2.850360
  H      -5.847610     -2.475810      2.133291
  H      -2.952307     -1.216256      5.450410
  H      -5.080757     -1.414172      6.235048
  H       0.296569      8.630403      0.033115
  H      -1.032557      7.446524     -0.041250
  H      -1.383299      9.180030     -0.186161
  H      -0.253632      7.806895      2.335548
  H      -0.599781      9.533042      2.191492
  H      -2.958829     10.344780      2.070539
  H      -5.329165      9.905038      2.667145
  H      -6.078281      7.578103      3.184333
  H      -2.598229      6.077323      5.049577
  H      -2.050246      6.173314      2.582297
  H     -11.340221     -3.471741      6.274057
  H     -10.678777     -2.254126      7.383595
  H     -10.527842     -3.984531      7.775861
  H      -8.993906     -4.313366      5.812316
  H      -8.341649     -3.103851      6.920313
  H     -10.103619     -3.567712      3.651557
  H     -10.158642     -1.849366      1.853169
  H      -9.235355      0.437442      2.289599
  H      -7.180044      2.826278      6.449835
  H      -8.024411     -0.812571      6.228308
  N      -2.737568      2.312121      3.135483
  H      -2.534015      2.207476      2.142642
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.177142388903
  N      -2.461416      0.824443      5.817749
  Mo     -3.396589      2.387500      4.760064
  N      -5.072371      2.682248      6.127655
  C      -4.896191      3.539794      7.298156
  C      -4.074309      2.856192      8.394302
  N      -2.698935      2.618714      7.992365
  C      -2.110312      1.314326      8.186581
  C      -1.516565      0.716029      6.894250
  C      -1.825382      3.772970      7.983612
  C      -1.274920      4.133594      6.583996
  N      -2.305355      4.011568      5.588567
  H      -0.590240      1.244440      6.620609
  H      -1.254010     -0.341680      7.073663
  H      -1.316210      1.326718      8.960655
  H      -2.898278      0.633549      8.537198
  H      -0.868507      5.159555      6.602021
  H      -0.448781      3.456432      6.317789
  H      -2.396352      4.637737      8.354024
  H      -0.969901      3.631918      8.671721
  H      -5.879035      3.819842      7.713165
  H      -4.401201      4.481667      7.015380
  H      -4.540667      1.890678      8.635074
  H      -4.124809      3.483774      9.308336
  C      -4.205014     -4.261982      7.843938
  C      -5.609415     -3.814109      7.416556
  C      -5.672213     -3.462796      5.952009
  C      -6.014233     -4.419711      4.988496
  C      -6.062311     -4.081186      3.635058
  C      -5.725403     -2.794608      3.220381
  C      -5.334109     -1.834605      4.161964
  C      -4.946485     -0.471778      3.663236
  O      -5.353494     -0.037208      2.592441
  N      -4.077118      0.275951      4.452848
  C      -3.147569     -0.173527      5.291482
  C      -5.349268     -2.171293      5.521675
  C      -0.848748      8.431114      0.281953
  C      -0.996544      8.534969      1.806942
  C      -2.410735      8.269672      2.263313
  C      -3.361269      9.299216      2.305722
  C      -4.688580      9.036813      2.659053
  C      -5.089682      7.739200      2.973315
  C      -4.148192      6.701071      2.965357
  C      -4.612736      5.302241      3.266120
  O      -5.589683      4.831333      2.691350
  N      -3.909975      4.566519      4.207682
  C      -2.897745      5.007612      4.958975
  C      -2.818911      6.974944      2.609874
  C     -10.497513     -3.259530      6.835510
  C      -9.151218     -3.285889      6.101197
  C      -9.085122     -2.251448      5.003363
  C      -9.649643     -2.500236      3.742870
  C      -9.676610     -1.504756      2.757128
  C      -9.160065     -0.236816      3.025139
  C      -8.550724      0.014954      4.261351
  C      -7.986027      1.376450      4.543822
  O      -8.620844      2.400833      4.235492
  N      -6.709353      1.369665      5.058853
  C      -6.343023      2.320096      5.880346
  C      -8.506635     -0.997814      5.231688
  H      -3.885267     -5.145800      7.272887
  H      -3.469553     -3.462585      7.661099
  H      -4.177065     -4.516334      8.913700
  H      -6.335557     -4.611900      7.639092
  H      -5.907676     -2.937553      8.013384
  H      -6.274238     -5.433056      5.306695
  H      -6.368722     -4.827977      2.901006
  H      -5.780217     -2.501907      2.173251
  H      -2.939646     -1.238272      5.475909
  H      -5.147937     -1.403285      6.269849
  H       0.188082      8.629339     -0.028849
  H      -1.127343      7.427147     -0.069516
  H      -1.503078      9.155315     -0.224718
  H      -0.315128      7.817332      2.290767
  H      -0.686804      9.539343      2.136988
  H      -3.057310     10.318410      2.052864
  H      -5.415834      9.850879      2.685441
  H      -6.127706      7.516323      3.226109
  H      -2.591043      6.060378      5.054038
  H      -2.089903      6.160841      2.574241
  H     -11.323241     -3.460084      6.140427
  H     -10.678246     -2.270465      7.287587
  H     -10.527932     -4.016093      7.634638
  H      -8.977501     -4.290812      5.677652
  H      -8.340839     -3.106298      6.822437
  H     -10.073923     -3.486314      3.532982
  H     -10.113615     -1.718103      1.778106
  H      -9.195717      0.560179      2.276712
  H      -7.123695      2.871726      6.435282
  H      -8.019834     -0.796112      6.190022
  N      -2.722849      2.274630      3.163669
  H      -2.579702      2.158735      2.158219
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.178275538975
  N      -2.440579      0.809437      5.827256
  Mo     -3.361772      2.374300      4.776582
  N      -5.051753      2.662963      6.110863
  C      -4.893295      3.514476      7.290161
  C      -4.070249      2.830279      8.385738
  N      -2.689769      2.606581      7.987994
  C      -2.090833      1.307594      8.195781
  C      -1.494617      0.703223      6.905700
  C      -1.827601      3.770211      7.990939
  C      -1.276721      4.145417      6.593785
  N      -2.304534      4.014104      5.594755
  H      -0.570636      1.236154      6.628918
  H      -1.227774     -0.352714      7.089020
  H      -1.297251      1.332200      8.971368
  H      -2.875236      0.624357      8.551698
  H      -0.879460      5.174587      6.619502
  H      -0.444229      3.475218      6.326464
  H      -2.410246      4.626410      8.365059
  H      -0.972524      3.633088      8.681692
  H      -5.882762      3.776708      7.703008
  H      -4.408215      4.465485      7.018804
  H      -4.530104      1.858834      8.614892
  H      -4.132118      3.450636      9.304906
  C      -4.210864     -4.267099      7.843255
  C      -5.611667     -3.825624      7.396971
  C      -5.656486     -3.473200      5.932165
  C      -5.995457     -4.426003      4.965108
  C      -6.033134     -4.085247      3.610029
  C      -5.689876     -2.800502      3.198281
  C      -5.300197     -1.845590      4.144692
  C      -4.904503     -0.485752      3.649829
  O      -5.276079     -0.061874      2.562844
  N      -4.054745      0.267453      4.457312
  C      -3.134219     -0.186131      5.301361
  C      -5.322430     -2.184568      5.505073
  C      -0.859102      8.429084      0.314905
  C      -1.026488      8.541285      1.837559
  C      -2.441831      8.261486      2.276552
  C      -3.404251      9.279810      2.302777
  C      -4.732130      9.003222      2.638379
  C      -5.121674      7.702317      2.951712
  C      -4.168321      6.675474      2.960666
  C      -4.620271      5.273379      3.262631
  O      -5.589336      4.790895      2.686558
  N      -3.909502      4.543763      4.202703
  C      -2.909110      5.000815      4.961132
  C      -2.838673      6.963476      2.622161
  C     -10.499780     -3.180825      6.896121
  C      -9.166916     -3.228761      6.120293
  C      -9.112520     -2.205046      5.010113
  C      -9.691595     -2.465182      3.759078
  C      -9.704478     -1.490560      2.759312
  C      -9.163903     -0.228725      3.003431
  C      -8.548723      0.037369      4.232238
  C      -7.966243      1.394195      4.495863
  O      -8.592229      2.414418      4.193675
  N      -6.689919      1.382820      5.006653
  C      -6.324452      2.329170      5.828978
  C      -8.516106     -0.956199      5.216656
  H      -3.879477     -5.147367      7.274818
  H      -3.478605     -3.464010      7.672760
  H      -4.196628     -4.524030      8.912217
  H      -6.334618     -4.627654      7.606195
  H      -5.923105     -2.952077      7.990516
  H      -6.263175     -5.437227      5.280701
  H      -6.337896     -4.828013      2.872573
  H      -5.737381     -2.504819      2.148663
  H      -2.926061     -1.250999      5.488502
  H      -5.119913     -1.418428      6.254887
  H       0.178279      8.636959      0.015727
  H      -1.121784      7.419428     -0.032833
  H      -1.515720      9.142627     -0.203421
  H      -0.343121      7.834085      2.333091
  H      -0.734504      9.552073      2.164054
  H      -3.109369     10.301442      2.050623
  H      -5.468968      9.808281      2.651631
  H      -6.159371      7.467362      3.191183
  H      -2.615837      6.057559      5.056904
  H      -2.100838      6.157140      2.597792
  H     -11.354127     -3.373531      6.222273
  H     -10.656156     -2.188230      7.349054
  H     -10.514634     -3.933508      7.704420
  H      -9.017721     -4.236955      5.698194
  H      -8.330169     -3.055995      6.821608
  H     -10.129994     -3.448005      3.566050
  H     -10.147449     -1.714803      1.786692
  H      -9.188489      0.551555      2.243241
  H      -7.107505      2.898679      6.364851
  H      -8.017449     -0.745942      6.167219
  N      -2.674544      2.254951      3.190431
  H      -2.569765      2.129360      2.182838
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.179312990220
  N      -2.383938      0.785734      5.822615
  Mo     -3.314339      2.355593      4.789849
  N      -5.002398      2.625736      6.118469
  C      -4.846621      3.464219      7.310685
  C      -4.001332      2.780737      8.386684
  N      -2.622016      2.578332      7.972606
  C      -2.004028      1.287741      8.183500
  C      -1.421727      0.682271      6.887502
  C      -1.773863      3.753249      7.980080
  C      -1.239962      4.148704      6.581967
  N      -2.275854      4.010708      5.592417
  H      -0.504516      1.219914      6.598085
  H      -1.148122     -0.372679      7.066031
  H      -1.201222      1.328198      8.948334
  H      -2.775903      0.598857      8.555303
  H      -0.855174      5.182247      6.612161
  H      -0.402624      3.490614      6.301480
  H      -2.363710      4.598057      8.368542
  H      -0.911576      3.619042      8.661801
  H      -5.836037      3.700323      7.736471
  H      -4.382738      4.429066      7.049645
  H      -4.444653      1.800038      8.607797
  H      -4.062175      3.389294      9.313646
  C      -4.279185     -4.204444      7.943210
  C      -5.668485     -3.771652      7.457751
  C      -5.680240     -3.449480      5.986498
  C      -6.020001     -4.415436      5.033170
  C      -6.026557     -4.102345      3.672841
  C      -5.654399     -2.832089      3.242161
  C      -5.266929     -1.864187      4.175878
  C      -4.849517     -0.518880      3.661937
  O      -5.204576     -0.107500      2.563665
  N      -4.013337      0.244926      4.474115
  C      -3.087926     -0.209336      5.307443
  C      -5.315203     -2.175814      5.540409
  C      -0.956772      8.439449      0.287647
  C      -1.096616      8.553170      1.812676
  C      -2.500998      8.259330      2.278572
  C      -3.472673      9.267784      2.323310
  C      -4.791786      8.977563      2.681644
  C      -5.163264      7.672466      2.999165
  C      -4.199747      6.655250      2.990362
  C      -4.635011      5.248044      3.293867
  O      -5.614775      4.759658      2.738102
  N      -3.899937      4.519538      4.214921
  C      -2.899228      4.988668      4.968349
  C      -2.879303      6.957281      2.629784
  C     -10.565359     -3.153463      6.773817
  C      -9.218553     -3.206796      6.044469
  C      -9.120720     -2.180512      4.947722
  C      -9.676363     -2.427565      3.687820
  C      -9.666444     -1.443615      2.700692
  C      -9.122530     -0.186475      2.965052
  C      -8.525209      0.064706      4.202821
  C      -7.943613      1.419127      4.491113
  O      -8.591130      2.448133      4.243308
  N      -6.653777      1.394939      4.978841
  C      -6.278089      2.319932      5.820054
  C      -8.517633     -0.937595      5.175513
  H      -3.937214     -5.096545      7.400427
  H      -3.542791     -3.405366      7.771844
  H      -4.288612     -4.439272      9.016097
  H      -6.396638     -4.569047      7.667387
  H      -5.991766     -2.885850      8.026004
  H      -6.312342     -5.415188      5.363329
  H      -6.330187     -4.855168      2.945771
  H      -5.673955     -2.558760      2.187650
  H      -2.875112     -1.273330      5.494924
  H      -5.109759     -1.397946      6.277155
  H       0.072653      8.656760     -0.031337
  H      -1.216011      7.426518     -0.052578
  H      -1.629765      9.145351     -0.219957
  H      -0.397038      7.853728      2.297112
  H      -0.809551      9.567620      2.131351
  H      -3.192188     10.292529      2.067291
  H      -5.536294      9.774909      2.708422
  H      -6.194581      7.426192      3.254889
  H      -2.621036      6.049366      5.067460
  H      -2.134688      6.157779      2.589582
  H     -11.394064     -3.340610      6.078365
  H     -10.723766     -2.161994      7.221684
  H     -10.613514     -3.906346      7.573526
  H      -9.069950     -4.213381      5.623171
  H      -8.406613     -3.042845      6.765158
  H     -10.121412     -3.404668      3.479023
  H     -10.094800     -1.656110      1.721511
  H      -9.130715      0.600839      2.213615
  H      -7.052321      2.896490      6.363923
  H      -8.038561     -0.736618      6.134284
  N      -2.641775      2.236299      3.194501
  H      -2.580801      2.108893      2.179454
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.180015806694
  N      -2.324620      0.754192      5.829661
  Mo     -3.266889      2.328179      4.810065
  N      -4.951988      2.579714      6.135927
  C      -4.797281      3.405713      7.340068
  C      -3.926792      2.724914      8.395242
  N      -2.550113      2.546156      7.960461
  C      -1.910044      1.265958      8.179429
  C      -1.344533      0.655136      6.878629
  C      -1.718622      3.734620      7.973153
  C      -1.202237      4.150083      6.574165
  N      -2.244943      4.001160      5.593151
  H      -0.434295      1.195413      6.573289
  H      -1.065552     -0.398961      7.053857
  H      -1.096534      1.328545      8.930196
  H      -2.666152      0.571784      8.572486
  H      -0.834380      5.189463      6.607518
  H      -0.357094      3.507249      6.281444
  H      -2.316927      4.567121      8.375369
  H      -0.849193      3.604722      8.646031
  H      -5.785855      3.613161      7.780883
  H      -4.357898      4.384640      7.086962
  H      -4.351475      1.734598      8.609516
  H      -3.984488      3.321752      9.329874
  C      -4.334955     -4.139591      8.057709
  C      -5.719589     -3.707813      7.553946
  C      -5.718357     -3.420783      6.074244
  C      -6.081150     -4.399866      5.138278
  C      -6.066260     -4.120558      3.770916
  C      -5.652858     -2.870902      3.315868
  C      -5.249098     -1.889306      4.233022
  C      -4.802075     -0.563056      3.695503
  O      -5.148246     -0.163378      2.588823
  N      -3.974483      0.211827      4.507602
  C      -3.038667     -0.241517      5.328276
  C      -5.315190     -2.167359      5.603249
  C      -1.071673      8.456976      0.254451
  C      -1.182757      8.571496      1.781622
  C      -2.573598      8.255407      2.276081
  C      -3.559842      9.249270      2.342030
  C      -4.867873      8.938356      2.725638
  C      -5.213647      7.626685      3.047067
  C      -4.234773      6.623705      3.017810
  C      -4.646519      5.209324      3.323148
  O      -5.636483      4.713680      2.789400
  N      -3.886936      4.484619      4.226248
  C      -2.887927      4.968475      4.974750
  C      -2.925666      6.946705      2.632377
  C     -10.576888     -3.116328      6.638682
  C      -9.234970     -3.193412      5.909325
  C      -9.113409     -2.149111      4.834263
  C      -9.684238     -2.354737      3.568981
  C      -9.666942     -1.346113      2.604044
  C      -9.095310     -0.107387      2.894731
  C      -8.484202      0.102875      4.138542
  C      -7.892945      1.446058      4.463380
  O      -8.518945      2.481609      4.229732
  N      -6.608738      1.398412      4.955529
  C      -6.229174      2.300643      5.819483
  C      -8.486587     -0.923226      5.089686
  H      -3.997621     -5.048208      7.537244
  H      -3.589146     -3.349848      7.871361
  H      -4.352378     -4.347875      9.136979
  H      -6.457470     -4.495514      7.776844
  H      -6.039812     -2.805509      8.100226
  H      -6.405324     -5.384009      5.487658
  H      -6.384635     -4.883976      3.056934
  H      -5.649455     -2.625640      2.255419
  H      -2.821309     -1.303719      5.520188
  H      -5.089612     -1.377769      6.324280
  H      -0.051752      8.690123     -0.085588
  H      -1.321591      7.439059     -0.078499
  H      -1.766059      9.151269     -0.241122
  H      -0.462038      7.883970      2.253483
  H      -0.906238      9.591319      2.092480
  H      -3.299609     10.279077      2.082516
  H      -5.624269      9.724544      2.768262
  H      -6.236761      7.363674      3.321445
  H      -2.628558      6.033704      5.076409
  H      -2.169981      6.157775      2.575098
  H     -11.408693     -3.269582      5.938764
  H     -10.708443     -2.129796      7.105966
  H     -10.645355     -3.879721      7.422354
  H      -9.114777     -4.194364      5.465311
  H      -8.418432     -3.065705      6.633296
  H     -10.153491     -3.315546      3.340039
  H     -10.112806     -1.524105      1.621169
  H      -9.101324      0.700455      2.160761
  H      -6.997468      2.877765      6.370186
  H      -8.000537     -0.751993      6.054545
  N      -2.601364      2.201457      3.208357
  H      -2.580401      2.074699      2.191231
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.180759263493
  N      -2.300352      0.746909      5.831641
  Mo     -3.253061      2.325490      4.820603
  N      -4.937038      2.559845      6.147768
  C      -4.781873      3.375675      7.360066
  C      -3.893382      2.695658      8.399384
  N      -2.519721      2.536634      7.947063
  C      -1.860832      1.265597      8.173036
  C      -1.307621      0.651608      6.868660
  C      -1.703537      3.736693      7.970190
  C      -1.200300      4.171399      6.573094
  N      -2.245620      4.012660      5.595862
  H      -0.402614      1.193905      6.551768
  H      -1.024278     -0.401422      7.041080
  H      -1.039189      1.348522      8.911762
  H      -2.602683      0.566195      8.583406
  H      -0.849930      5.216607      6.611893
  H      -0.345935      3.544977      6.270599
  H      -2.310076      4.557380      8.384210
  H      -0.829560      3.609563      8.637079
  H      -5.769529      3.560299      7.813147
  H      -4.362391      4.365102      7.111949
  H      -4.303954      1.697928      8.607258
  H      -3.947684      3.282178      9.340680
  C      -4.364753     -4.121294      8.092453
  C      -5.744130     -3.718335      7.552443
  C      -5.712609     -3.435052      6.072059
  C      -6.050588     -4.416839      5.132728
  C      -6.011082     -4.140609      3.764649
  C      -5.599285     -2.889901      3.313051
  C      -5.220158     -1.905161      4.234605
  C      -4.775132     -0.578440      3.701324
  O      -5.096827     -0.187872      2.584289
  N      -3.962550      0.202955      4.523101
  C      -3.019095     -0.249533      5.338284
  C      -5.307469     -2.181216      5.604482
  C      -1.091835      8.427539      0.262385
  C      -1.213061      8.561547      1.787168
  C      -2.604017      8.244375      2.276519
  C      -3.594083      9.234917      2.329322
  C      -4.901543      8.922196      2.709894
  C      -5.243301      7.612042      3.040870
  C      -4.260853      6.612547      3.024049
  C      -4.667993      5.199158      3.338485
  O      -5.654132      4.697001      2.805367
  N      -3.895483      4.476901      4.231027
  C      -2.904331      4.972180      4.981409
  C      -2.952184      6.937252      2.641732
  C     -10.605613     -3.069059      6.627796
  C      -9.265671     -3.164820      5.890751
  C      -9.131437     -2.119199      4.815812
  C      -9.704856     -2.315953      3.549041
  C      -9.678073     -1.305187      2.584997
  C      -9.094795     -0.073021      2.877760
  C      -8.479973      0.127432      4.122575
  C      -7.881329      1.465697      4.454717
  O      -8.524063      2.505873      4.258851
  N      -6.591096      1.410073      4.937099
  C      -6.214344      2.294707      5.819658
  C      -8.490410     -0.901508      5.072903
  H      -3.997634     -5.024801      7.584986
  H      -3.630538     -3.319203      7.920643
  H      -4.403874     -4.326012      9.172017
  H      -6.470254     -4.518975      7.760171
  H      -6.096092     -2.821314      8.086242
  H      -6.376288     -5.400705      5.479580
  H      -6.309748     -4.906631      3.047665
  H      -5.576999     -2.646712      2.251680
  H      -2.797786     -1.310082      5.534216
  H      -5.096625     -1.390398      6.326347
  H      -0.071345      8.661134     -0.073925
  H      -1.334836      7.404311     -0.059991
  H      -1.786339      9.112226     -0.246305
  H      -0.491838      7.883766      2.271684
  H      -0.943739      9.586718      2.087085
  H      -3.336980     10.263373      2.062498
  H      -5.660709      9.705844      2.742451
  H      -6.265967      7.347343      3.312923
  H      -2.663484      6.041178      5.088050
  H      -2.193287      6.150847      2.595503
  H     -11.445638     -3.207139      5.930676
  H     -10.720833     -2.082998      7.100483
  H     -10.681220     -3.834491      7.410528
  H      -9.163353     -4.165607      5.442209
  H      -8.442392     -3.054003      6.613360
  H     -10.184151     -3.270846      3.318742
  H     -10.126285     -1.476182      1.601778
  H      -9.094677      0.736474      2.144670
  H      -6.980149      2.859741      6.381489
  H      -8.004020     -0.736759      6.039356
  N      -2.581907      2.201109      3.223859
  H      -2.587279      2.081002      2.208880
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.181208795978
  N      -2.266747      0.728182      5.834334
  Mo     -3.232210      2.313294      4.829615
  N      -4.914447      2.542288      6.166694
  C      -4.746470      3.349873      7.382058
  C      -3.837681      2.670417      8.402678
  N      -2.468964      2.526186      7.926994
  C      -1.792819      1.264071      8.162345
  C      -1.258255      0.639624      6.855558
  C      -1.666429      3.736569      7.954418
  C      -1.179837      4.184968      6.557191
  N      -2.230379      4.016335      5.587578
  H      -0.357456      1.178246      6.521201
  H      -0.972954     -0.412346      7.029851
  H      -0.959760      1.370019      8.883993
  H      -2.519038      0.563489      8.597775
  H      -0.846542      5.236010      6.596903
  H      -0.317016      3.574962      6.244406
  H      -2.278387      4.547591      8.379118
  H      -0.787022      3.612830      8.613954
  H      -5.729790      3.519223      7.852085
  H      -4.344452      4.346385      7.132019
  H      -4.235927      1.667499      8.609276
  H      -3.881578      3.248325      9.349339
  C      -4.399221     -4.110610      8.156157
  C      -5.770829     -3.714063      7.589079
  C      -5.716131     -3.441948      6.106063
  C      -6.058566     -4.425502      5.167196
  C      -6.004966     -4.159409      3.795449
  C      -5.580275     -2.914814      3.340191
  C      -5.200927     -1.926887      4.262152
  C      -4.752779     -0.604160      3.726490
  O      -5.061461     -0.220751      2.603028
  N      -3.950480      0.182118      4.552814
  C      -2.994914     -0.268688      5.358115
  C      -5.292179     -2.194868      5.635355
  C      -1.143755      8.415557      0.259316
  C      -1.263437      8.558978      1.782641
  C      -2.649545      8.234127      2.277369
  C      -3.645860      9.218047      2.331929
  C      -4.948521      8.897819      2.719757
  C      -5.279455      7.586709      3.055874
  C      -4.290640      6.593752      3.036431
  C      -4.685416      5.178500      3.357305
  O      -5.677200      4.672926      2.837981
  N      -3.893074      4.460110      4.233094
  C      -2.906819      4.967138      4.978249
  C      -2.986715      6.926008      2.647112
  C     -10.655178     -3.062444      6.558279
  C      -9.300229     -3.135808      5.835051
  C      -9.151015     -2.071577      4.771250
  C      -9.685604     -2.263569      3.492833
  C      -9.628915     -1.248342      2.535776
  C      -9.053056     -0.016783      2.846975
  C      -8.476678      0.178890      4.103227
  C      -7.873718      1.510088      4.456495
  O      -8.510307      2.554236      4.269048
  N      -6.577519      1.441955      4.926926
  C      -6.195386      2.302829      5.831004
  C      -8.519542     -0.853094      5.047432
  H      -4.021675     -5.018828      7.663254
  H      -3.661785     -3.310100      7.989939
  H      -4.455944     -4.304213      9.237576
  H      -6.501071     -4.513522      7.789989
  H      -6.134928     -2.813250      8.110551
  H      -6.399793     -5.402675      5.517176
  H      -6.305533     -4.927671      3.078850
  H      -5.549363     -2.678775      2.274382
  H      -2.774697     -1.328093      5.563931
  H      -5.073223     -1.402784      6.355879
  H      -0.126191      8.654576     -0.080375
  H      -1.379302      7.389016     -0.057159
  H      -1.844143      9.091079     -0.252584
  H      -0.535344      7.891534      2.269979
  H      -1.001162      9.587669      2.076000
  H      -3.397112     10.246964      2.061544
  H      -5.712025      9.676712      2.754390
  H      -6.298404      7.316402      3.334089
  H      -2.685221      6.039872      5.087072
  H      -2.222084      6.145637      2.602238
  H     -11.485613     -3.194307      5.851275
  H     -10.787819     -2.083269      7.045198
  H     -10.734863     -3.847154      7.331262
  H      -9.182508     -4.132258      5.376775
  H      -8.489798     -3.034857      6.570119
  H     -10.151742     -3.221612      3.246844
  H     -10.040504     -1.418959      1.543756
  H      -9.022938      0.791457      2.118016
  H      -6.956723      2.862396      6.406059
  H      -8.060123     -0.694345      6.022855
  N      -2.583219      2.183635      3.219965
  H      -2.636263      2.072214      2.203735
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.181690345341
  N      -2.221189      0.698490      5.838493
  Mo     -3.197954      2.283191      4.837654
  N      -4.877908      2.509054      6.180561
  C      -4.704917      3.311303      7.397926
  C      -3.784768      2.633072      8.408809
  N      -2.417593      2.501061      7.919950
  C      -1.728138      1.245797      8.159667
  C      -1.203612      0.615852      6.850996
  C      -1.626684      3.720153      7.949684
  C      -1.149568      4.175628      6.551685
  N      -2.201273      3.996961      5.585091
  H      -0.306257      1.153957      6.505972
  H      -0.915043     -0.435128      7.027867
  H      -0.887705      1.367234      8.870162
  H      -2.442637      0.542868      8.610642
  H      -0.829084      5.230764      6.591701
  H      -0.279926      3.577073      6.234735
  H      -2.245091      4.524294      8.378393
  H      -0.744372      3.602550      8.606834
  H      -5.686239      3.471929      7.876916
  H      -4.312162      4.311603      7.147928
  H      -4.175446      1.626710      8.612802
  H      -3.824704      3.205128      9.359633
  C      -4.465778     -4.053264      8.245784
  C      -5.821906     -3.686920      7.628959
  C      -5.725369     -3.443190      6.145323
  C      -6.043202     -4.443105      5.219199
  C      -5.956021     -4.201063      3.846554
  C      -5.525666     -2.962853      3.378829
  C      -5.168156     -1.959570      4.289745
  C      -4.711894     -0.642480      3.746086
  O      -5.017095     -0.263830      2.620230
  N      -3.916839      0.147521      4.575121
  C      -2.952926     -0.299690      5.373841
  C      -5.289305     -2.204625      5.662660
  C      -1.236465      8.444920      0.237525
  C      -1.336200      8.581700      1.762720
  C      -2.710400      8.231565      2.277646
  C      -3.722311      9.199418      2.352647
  C      -5.015086      8.855977      2.758459
  C      -5.320050      7.537378      3.092438
  C      -4.315052      6.560192      3.053209
  C      -4.683628      5.136351      3.371161
  O      -5.681505      4.624644      2.868614
  N      -3.872952      4.424607      4.236817
  C      -2.890396      4.941347      4.978556
  C      -3.021214      6.915775      2.645842
  C     -10.683857     -2.987434      6.484987
  C      -9.334392     -3.095377      5.759733
  C      -9.162039     -2.029021      4.704473
  C      -9.705252     -2.197411      3.422407
  C      -9.630974     -1.175209      2.474689
  C      -9.032718      0.041659      2.799878
  C      -8.449146      0.213648      4.059727
  C      -7.831087      1.532580      4.431702
  O      -8.458444      2.585693      4.261472
  N      -6.540125      1.446299      4.908370
  C      -6.159666      2.283589      5.836295
  C      -8.506249     -0.826930      4.993790
  H      -4.061999     -4.966628      7.786160
  H      -3.733938     -3.247283      8.084053
  H      -4.553537     -4.224064      9.327534
  H      -6.547502     -4.491069      7.824576
  H      -6.212715     -2.781266      8.119301
  H      -6.392245     -5.413866      5.579374
  H      -6.235757     -4.982336      3.139503
  H      -5.471409     -2.744454      2.312504
  H      -2.732689     -1.357920      5.586346
  H      -5.086484     -1.400861      6.371807
  H      -0.227437      8.702600     -0.116675
  H      -1.458883      7.415354     -0.078567
  H      -1.956073      9.109576     -0.262338
  H      -0.588721      7.926053      2.237735
  H      -1.086993      9.613921      2.055065
  H      -3.493896     10.233907      2.083550
  H      -5.790776      9.622720      2.808870
  H      -6.331032      7.249220      3.384603
  H      -2.683059      6.016706      5.089485
  H      -2.244231      6.148198      2.585628
  H     -11.520550     -3.093078      5.777588
  H     -10.787994     -2.009102      6.979276
  H     -10.782619     -3.771330      7.252596
  H      -9.244696     -4.090261      5.292218
  H      -8.518080     -3.021791      6.495765
  H     -10.192774     -3.141863      3.166930
  H     -10.052405     -1.326289      1.479583
  H      -8.993919      0.858075      2.079379
  H      -6.923706      2.837036      6.415936
  H      -8.040516     -0.687390      5.973172
  N      -2.565880      2.155334      3.221032
  H      -2.647431      2.052715      2.203826
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.182065305922
  N      -2.188160      0.664956      5.837437
  Mo     -3.173773      2.252566      4.849874
  N      -4.837561      2.486369      6.203956
  C      -4.650903      3.278395      7.425819
  C      -3.712574      2.596188      8.416726
  N      -2.351951      2.476330      7.901387
  C      -1.647111      1.228394      8.144805
  C      -1.151385      0.586011      6.830762
  C      -1.571998      3.704500      7.928058
  C      -1.115300      4.166190      6.525033
  N      -2.175602      3.976308      5.569688
  H      -0.260463      1.120337      6.462437
  H      -0.860900     -0.464138      7.010851
  H      -0.789936      1.368764      8.831522
  H      -2.343316      0.526024      8.625216
  H      -0.806224      5.225099      6.562607
  H      -0.242360      3.577208      6.198354
  H      -2.193682      4.501856      8.364873
  H      -0.682285      3.592784      8.576487
  H      -5.625526      3.427616      7.922162
  H      -4.268625      4.284024      7.178617
  H      -4.096297      1.586092      8.616120
  H      -3.739482      3.158066      9.374387
  C      -4.534377     -3.989910      8.347505
  C      -5.881171     -3.663194      7.689690
  C      -5.755418     -3.444226      6.203661
  C      -6.055915     -4.457899      5.288469
  C      -5.943611     -4.237141      3.912558
  C      -5.508568     -3.005285      3.432643
  C      -5.167414     -1.989144      4.334356
  C      -4.707968     -0.675090      3.783833
  O      -5.008994     -0.304361      2.654887
  N      -3.912847      0.117637      4.613038
  C      -2.935714     -0.330550      5.395569
  C      -5.310249     -2.214047      5.708727
  C      -1.319354      8.449954      0.242409
  C      -1.418675      8.590867      1.767820
  C      -2.784633      8.217023      2.287005
  C      -3.812297      9.167521      2.365236
  C      -5.098091      8.801887      2.773314
  C      -5.379627      7.478166      3.107015
  C      -4.358471      6.518283      3.065430
  C      -4.702514      5.088848      3.387250
  O      -5.694572      4.562957      2.891263
  N      -3.865955      4.384873      4.237201
  C      -2.882464      4.913485      4.969742
  C      -3.071723      6.896029      2.655706
  C     -10.676458     -2.940753      6.370246
  C      -9.323605     -3.054676      5.658207
  C      -9.135497     -1.977317      4.620331
  C      -9.677346     -2.117291      3.332636
  C      -9.599251     -1.074473      2.404041
  C      -8.997459      0.134196      2.754499
  C      -8.412462      0.275531      4.019987
  C      -7.794964      1.584212      4.425025
  O      -8.422011      2.641462      4.285516
  N      -6.504873      1.482547      4.898851
  C      -6.121345      2.286403      5.852157
  C      -8.473699     -0.785304      4.934379
  H      -4.101056     -4.904403      7.918844
  H      -3.814668     -3.173634      8.186669
  H      -4.645693     -4.139565      9.430902
  H      -6.594715     -4.477532      7.882405
  H      -6.301918     -2.757465      8.153547
  H      -6.410591     -5.422663      5.658977
  H      -6.207884     -5.029879      3.213045
  H      -5.437472     -2.801877      2.363530
  H      -2.721508     -1.388613      5.617392
  H      -5.116392     -1.399561      6.407851
  H      -0.316081      8.724855     -0.115102
  H      -1.523156      7.414936     -0.069428
  H      -2.052565      9.099238     -0.258454
  H      -0.657707      7.951559      2.243728
  H      -1.188935      9.629211      2.055466
  H      -3.602033     10.206024      2.096125
  H      -5.886386      9.555501      2.826160
  H      -6.384626      7.172728      3.401800
  H      -2.688276      5.991441      5.080135
  H      -2.281856      6.142013      2.593537
  H     -11.507704     -3.032772      5.655840
  H     -10.772357     -1.967123      6.868248
  H     -10.791449     -3.726304      7.129134
  H      -9.241360     -4.043127      5.180862
  H      -8.511811     -2.996187      6.399831
  H     -10.172483     -3.052776      3.058758
  H     -10.025709     -1.200518      1.403954
  H      -8.960730      0.969224      2.049530
  H      -6.882162      2.829523      6.444639
  H      -8.009571     -0.669130      5.919237
  N      -2.569479      2.115554      3.226900
  H      -2.702241      2.023165      2.213958
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.182385751969
  N      -2.160296      0.642808      5.844834
  Mo     -3.152429      2.223281      4.851601
  N      -4.808493      2.476899      6.214102
  C      -4.613023      3.267395      7.434362
  C      -3.669719      2.585396      8.420641
  N      -2.311869      2.469274      7.895995
  C      -1.598842      1.226858      8.143906
  C      -1.115593      0.572609      6.830899
  C      -1.539242      3.702547      7.912786
  C      -1.088818      4.155450      6.504909
  N      -2.150369      3.953682      5.553570
  H      -0.228448      1.103343      6.449288
  H      -0.822583     -0.475160      7.019286
  H      -0.733206      1.379133      8.816966
  H      -2.284388      0.526522      8.641990
  H      -0.784857      5.215981      6.534472
  H      -0.213804      3.568315      6.180880
  H      -2.164889      4.499314      8.344852
  H      -0.647713      3.601161      8.560397
  H      -5.584095      3.419730      7.936578
  H      -4.229650      4.272033      7.184941
  H      -4.051444      1.574800      8.620599
  H      -3.691149      3.145707      9.379296
  C      -4.574381     -3.982639      8.414389
  C      -5.910093     -3.669288      7.727948
  C      -5.759733     -3.463158      6.242064
  C      -6.047487     -4.485360      5.331468
  C      -5.911346     -4.277784      3.956480
  C      -5.468759     -3.049687      3.472951
  C      -5.145024     -2.023682      4.369212
  C      -4.688162     -0.708948      3.814350
  O      -4.993416     -0.341883      2.685796
  N      -3.895626      0.087624      4.641195
  C      -2.913517     -0.354736      5.420198
  C      -5.307245     -2.236537      5.742908
  C      -1.379906      8.481670      0.243702
  C      -1.477768      8.614609      1.769898
  C      -2.835152      8.212135      2.291017
  C      -3.879811      9.143181      2.377732
  C      -5.157900      8.751403      2.786541
  C      -5.414123      7.420618      3.112919
  C      -4.375607      6.479928      3.063411
  C      -4.694321      5.042622      3.377260
  O      -5.677787      4.503307      2.880006
  N      -3.846539      4.348463      4.224950
  C      -2.864544      4.885339      4.953449
  C      -3.096820      6.883763      2.652504
  C     -10.696729     -2.907501      6.300618
  C      -9.342034     -3.016221      5.588493
  C      -9.150319     -1.923272      4.566709
  C      -9.688018     -2.041976      3.274785
  C      -9.598952     -0.987297      2.361008
  C      -8.988887      0.211463      2.730838
  C      -8.408564      0.331876      4.000977
  C      -7.781769      1.629133      4.426803
  O      -8.400051      2.693341      4.300264
  N      -6.488321      1.512674      4.893221
  C      -6.094246      2.292392      5.861999
  C      -8.482288     -0.739958      4.900616
  H      -4.128619     -4.901037      8.005744
  H      -3.854677     -3.165153      8.257674
  H      -4.705862     -4.119195      9.497258
  H      -6.623188     -4.486298      7.914998
  H      -6.344274     -2.761359      8.176437
  H      -6.407841     -5.447064      5.705269
  H      -6.163065     -5.078408      3.260397
  H      -5.379611     -2.856387      2.405211
  H      -2.704074     -1.411245      5.653233
  H      -5.123202     -1.414798      6.436819
  H      -0.383144      8.777546     -0.115397
  H      -1.564197      7.443912     -0.071228
  H      -2.127318      9.118273     -0.252600
  H      -0.702760      7.988770      2.241499
  H      -1.268014      9.656249      2.060797
  H      -3.689172     10.187007      2.114268
  H      -5.959821      9.490032      2.845708
  H      -6.412775      7.094959      3.407978
  H      -2.675922      5.964648      5.059881
  H      -2.293483      6.144826      2.581958
  H     -11.525752     -2.982224      5.581739
  H     -10.790511     -1.940101      6.816281
  H     -10.816816     -3.706792      7.046519
  H      -9.260629     -3.998950      5.096462
  H      -8.531402     -2.970296      6.332108
  H     -10.186138     -2.971240      2.985402
  H     -10.018414     -1.098206      1.356896
  H      -8.939661      1.053267      2.036897
  H      -6.850366      2.828892      6.466136
  H      -8.021668     -0.641474      5.888832
  N      -2.564138      2.078241      3.222886
  H      -2.718906      1.993910      2.213511
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.182735779998
  N      -2.155233      0.603867      5.851852
  Mo     -3.134194      2.178790      4.837208
  N      -4.777676      2.489783      6.207402
  C      -4.572448      3.277434      7.426650
  C      -3.633006      2.588642      8.413776
  N      -2.276784      2.461285      7.884491
  C      -1.567969      1.219100      8.141947
  C      -1.104989      0.538114      6.833882
  C      -1.499920      3.691843      7.880634
  C      -1.042529      4.114415      6.464586
  N      -2.103219      3.903552      5.512993
  H      -0.215699      1.052339      6.434125
  H      -0.820305     -0.508090      7.040568
  H      -0.688569      1.377347      8.797203
  H      -2.247937      0.531216      8.666103
  H      -0.730223      5.173065      6.476007
  H      -0.170750      3.514271      6.156322
  H      -2.125239      4.498502      8.294012
  H      -0.611039      3.601309      8.534254
  H      -5.540914      3.443214      7.930082
  H      -4.175937      4.277539      7.177456
  H      -4.023370      1.581371      8.614769
  H      -3.646167      3.148388      9.373009
  C      -4.656361     -3.958145      8.500857
  C      -5.978068     -3.680870      7.773062
  C      -5.795245     -3.486697      6.287911
  C      -6.053085     -4.522109      5.381665
  C      -5.889317     -4.327876      4.007380
  C      -5.451969     -3.099171      3.520252
  C      -5.158774     -2.059353      4.411504
  C      -4.709165     -0.739949      3.853787
  O      -5.027680     -0.372819      2.729869
  N      -3.910047      0.054815      4.675645
  C      -2.928281     -0.388887      5.454041
  C      -5.345020     -2.259701      5.784889
  C      -1.447604      8.585550      0.256070
  C      -1.542418      8.686348      1.785206
  C      -2.884011      8.229874      2.304912
  C      -3.956194      9.125816      2.417834
  C      -5.220180      8.685402      2.822465
  C      -5.433453      7.340441      3.119307
  C      -4.366653      6.433972      3.044905
  C      -4.644910      4.981299      3.324952
  O      -5.607917      4.425312      2.809687
  N      -3.794935      4.297549      4.179391
  C      -2.813578      4.835666      4.908131
  C      -3.102770      6.886426      2.637067
  C     -10.664852     -2.893802      6.247493
  C      -9.308323     -2.978781      5.526917
  C      -9.132867     -1.870664      4.518096
  C      -9.670848     -1.976045      3.227329
  C      -9.579419     -0.913550      2.326030
  C      -8.968629      0.280674      2.707946
  C      -8.391353      0.390024      3.978157
  C      -7.759789      1.679916      4.414981
  O      -8.383970      2.746097      4.312503
  N      -6.465470      1.561248      4.875407
  C      -6.064217      2.315286      5.857548
  C      -8.465390     -0.690237      4.864746
  H      -4.180449     -4.874052      8.119945
  H      -3.948319     -3.128746      8.353307
  H      -4.816910     -4.081105      9.582074
  H      -6.678616     -4.511922      7.949186
  H      -6.444061     -2.778172      8.201335
  H      -6.410104     -5.484358      5.758513
  H      -6.115245     -5.140511      3.314485
  H      -5.343659     -2.915596      2.452765
  H      -2.744076     -1.445524      5.709148
  H      -5.180816     -1.427277      6.473137
  H      -0.462829      8.920806     -0.102396
  H      -1.598958      7.548033     -0.076118
  H      -2.218446      9.205620     -0.224568
  H      -0.744502      8.078763      2.241757
  H      -1.367210      9.728921      2.094466
  H      -3.798724     10.180717      2.177378
  H      -6.044957      9.396978      2.901136
  H      -6.420887      6.977088      3.409739
  H      -2.617989      5.914126      5.007879
  H      -2.277975      6.174835      2.540247
  H     -11.496192     -2.961939      5.528646
  H     -10.764940     -1.933204      6.776857
  H     -10.777098     -3.706336      6.983917
  H      -9.217114     -3.955526      5.024589
  H      -8.493318     -2.930129      6.265591
  H     -10.165139     -2.903992      2.927295
  H      -9.990732     -1.016986      1.320602
  H      -8.911732      1.124849      2.021927
  H      -6.817028      2.832629      6.482271
  H      -8.004136     -0.604733      5.851792
  N      -2.571159      1.998636      3.202763
  H      -2.755383      1.930747      2.198462
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.182994758321
  N      -2.157234      0.590987      5.860539
  Mo     -3.138764      2.155818      4.835484
  N      -4.762035      2.503818      6.219623
  C      -4.545565      3.289968      7.436757
  C      -3.603965      2.598877      8.418416
  N      -2.253584      2.466220      7.882028
  C      -1.544193      1.225681      8.138596
  C      -1.098077      0.531352      6.832313
  C      -1.476192      3.695029      7.857182
  C      -1.025685      4.097729      6.434499
  N      -2.090569      3.878595      5.490530
  H      -0.212647      1.039232      6.418211
  H      -0.814005     -0.513291      7.045991
  H      -0.655676      1.386391      8.779844
  H      -2.217529      0.543637      8.677932
  H      -0.708820      5.154730      6.431436
  H      -0.158793      3.489927      6.130534
  H      -2.098718      4.507240      8.262040
  H      -0.584549      3.614422      8.506728
  H      -5.508934      3.464382      7.944166
  H      -4.142923      4.286908      7.185821
  H      -3.995606      1.592863      8.622364
  H      -3.609394      3.159968      9.376356
  C      -4.647567     -3.977222      8.553338
  C      -5.965727     -3.714827      7.813032
  C      -5.772725     -3.519173      6.328766
  C      -6.010265     -4.559146      5.421118
  C      -5.846585     -4.363609      4.045655
  C      -5.430515     -3.128578      3.558130
  C      -5.155232     -2.084553      4.451143
  C      -4.728005     -0.758647      3.892388
  O      -5.060074     -0.394080      2.771821
  N      -3.925728      0.038815      4.706901
  C      -2.940649     -0.401920      5.483050
  C      -5.338518     -2.286667      5.826455
  C      -1.475698      8.600103      0.272390
  C      -1.582075      8.699389      1.801086
  C      -2.918935      8.221450      2.310931
  C      -4.003319      9.101115      2.422371
  C      -5.261630      8.640973      2.819356
  C      -5.457021      7.292226      3.109359
  C      -4.378069      6.401609      3.034418
  C      -4.639046      4.944464      3.304849
  O      -5.580724      4.371522      2.768208
  N      -3.786591      4.269252      4.162878
  C      -2.801709      4.809477      4.885621
  C      -3.120173      6.873594      2.634867
  C     -10.686923     -2.868156      6.168403
  C      -9.327372     -2.947612      5.461465
  C      -9.141372     -1.825625      4.472509
  C      -9.677835     -1.906208      3.179541
  C      -9.583358     -0.826783      2.298172
  C      -8.968256      0.358283      2.701984
  C      -8.390999      0.442939      3.974798
  C      -7.756445      1.724453      4.432836
  O      -8.369422      2.794868      4.334237
  N      -6.462005      1.596907      4.888845
  C      -6.050821      2.335378      5.878859
  C      -8.469253     -0.653469      4.841597
  H      -4.158621     -4.888283      8.177483
  H      -3.946938     -3.140451      8.412886
  H      -4.817914     -4.101011      9.633142
  H      -6.658203     -4.554297      7.981548
  H      -6.446890     -2.818127      8.237605
  H      -6.353837     -5.525799      5.797195
  H      -6.057416     -5.179936      3.351756
  H      -5.325907     -2.942930      2.487746
  H      -2.765531     -1.456988      5.748313
  H      -5.188604     -1.450903      6.514456
  H      -0.494700      8.950465     -0.079090
  H      -1.608950      7.560447     -0.060212
  H      -2.252575      9.208122     -0.213236
  H      -0.778322      8.104205      2.262819
  H      -1.426131      9.744352      2.112252
  H      -3.859746     10.158795      2.187674
  H      -6.096442      9.339580      2.896932
  H      -6.439929      6.913389      3.392892
  H      -2.600503      5.887679      4.977921
  H      -2.285666      6.174515      2.536135
  H     -11.507393     -2.922538      5.439377
  H     -10.787846     -1.913872      6.710542
  H     -10.810873     -3.689920      6.889762
  H      -9.234529     -3.918294      4.945720
  H      -8.521018     -2.909019      6.207130
  H     -10.177002     -2.825922      2.862088
  H      -9.995615     -0.909413      1.290442
  H      -8.909680      1.216097      2.030800
  H      -6.796602      2.844779      6.519353
  H      -8.009727     -0.587330      5.830927
  N      -2.594778      1.961358      3.193930
  H      -2.793599      1.903223      2.190342
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.183301862796
  N      -2.150391      0.557252      5.872865
  Mo     -3.127993      2.116521      4.833116
  N      -4.733319      2.506167      6.224632
  C      -4.506289      3.285183      7.444019
  C      -3.564333      2.586421      8.419051
  N      -2.218440      2.448467      7.876851
  C      -1.509368      1.209261      8.137634
  C      -1.081710      0.499161      6.833671
  C      -1.440334      3.675419      7.835869
  C      -0.996520      4.063921      6.408015
  N      -2.065181      3.838310      5.469047
  H      -0.197550      0.997718      6.405595
  H      -0.803012     -0.546176      7.052361
  H      -0.612618      1.373519      8.766402
  H      -2.178182      0.535105      8.692456
  H      -0.676387      5.119635      6.393124
  H      -0.132800      3.450625      6.105977
  H      -2.060589      4.491925      8.235004
  H      -0.545668      3.601973      8.481754
  H      -5.466888      3.464467      7.955048
  H      -4.098609      4.280915      7.194382
  H      -3.958344      1.580960      8.621467
  H      -3.564143      3.145563      9.378545
  C      -4.707804     -3.931767      8.631197
  C      -6.015504     -3.694654      7.863563
  C      -5.795219     -3.523263      6.381265
  C      -6.008863     -4.579903      5.486306
  C      -5.820643     -4.406201      4.111849
  C      -5.405450     -3.175339      3.612131
  C      -5.154109     -2.115587      4.494234
  C      -4.730662     -0.794198      3.925626
  O      -5.061922     -0.438043      2.802289
  N      -3.933533      0.009013      4.738408
  C      -2.947756     -0.432348      5.515738
  C      -5.358415     -2.296833      5.868165
  C      -1.565208      8.641629      0.263393
  C      -1.652516      8.725964      1.794164
  C      -2.972387      8.215497      2.317459
  C      -4.071106      9.072670      2.459686
  C      -5.314139      8.582867      2.869582
  C      -5.480077      7.226358      3.140586
  C      -4.385922      6.357363      3.033207
  C      -4.618159      4.892198      3.283219
  O      -5.543949      4.305313      2.731103
  N      -3.762116      4.224131      4.141343
  C      -2.776536      4.767123      4.861320
  C      -3.143714      6.858984      2.622351
  C     -10.649562     -2.856382      6.082325
  C      -9.291955     -2.913229      5.368894
  C      -9.114882     -1.769350      4.401734
  C      -9.660694     -1.822852      3.111611
  C      -9.577164     -0.722540      2.253169
  C      -8.961355      0.455167      2.676761
  C      -8.374366      0.512720      3.946904
  C      -7.736561      1.784354      4.428264
  O      -8.346356      2.858016      4.354409
  N      -6.444308      1.642546      4.880047
  C      -6.025251      2.356283      5.885264
  C      -8.443909     -0.602835      4.790619
  H      -4.204792     -4.844317      8.278155
  H      -4.011826     -3.089985      8.490024
  H      -4.897043     -4.039536      9.709211
  H      -6.703094     -4.538779      8.032059
  H      -6.513851     -2.796026      8.263637
  H      -6.353368     -5.542917      5.871051
  H      -6.011437     -5.235594      3.428047
  H      -5.281859     -3.006471      2.541289
  H      -2.783441     -1.485703      5.793142
  H      -5.222281     -1.449334      6.544576
  H      -0.596551      9.015276     -0.098332
  H      -1.681675      7.602229     -0.075420
  H      -2.360816      9.237246     -0.206521
  H      -0.830760      8.143598      2.239708
  H      -1.514727      9.771036      2.112792
  H      -3.950902     10.136166      2.239245
  H      -6.160883      9.263811      2.971206
  H      -6.451058      6.824292      3.433424
  H      -2.573039      5.845472      4.948688
  H      -2.297960      6.177484      2.498449
  H     -11.471559     -2.901697      5.354477
  H     -10.754468     -1.913854      6.641394
  H     -10.766657     -3.692097      6.788693
  H      -9.195441     -3.872653      4.833845
  H      -8.483313     -2.884862      6.112701
  H     -10.161053     -2.736087      2.778105
  H      -9.998510     -0.782776      1.247220
  H      -8.910767      1.328568      2.023017
  H      -6.763914      2.857967      6.541623
  H      -7.977755     -0.556879      5.778131
  N      -2.585732      1.906098      3.193165
  H      -2.804308      1.858139      2.193529
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.183634154886
  N      -2.156629      0.526455      5.893642
  Mo     -3.125558      2.076219      4.829312
  N      -4.708574      2.522170      6.224168
  C      -4.470779      3.295990      7.444739
  C      -3.532176      2.591217      8.417370
  N      -2.189401      2.439551      7.875410
  C      -1.487833      1.199070      8.143232
  C      -1.079063      0.469525      6.844208
  C      -1.404117      3.659377      7.807261
  C      -0.967703      4.023984      6.371306
  N      -2.042848      3.794750      5.440239
  H      -0.194290      0.954578      6.401974
  H      -0.809354     -0.576842      7.069600
  H      -0.585484      1.361439      8.764102
  H      -2.158625      0.536944      8.709812
  H      -0.637325      5.076058      6.338318
  H      -0.111553      3.398229      6.071501
  H      -2.016249      4.486518      8.197723
  H      -0.504627      3.592199      8.447443
  H      -5.429594      3.484204      7.956262
  H      -4.056197      4.288692      7.193607
  H      -3.931689      1.588672      8.623357
  H      -3.529223      3.154390      9.375275
  C      -4.740501     -3.930280      8.708251
  C      -6.049708     -3.701694      7.938290
  C      -5.824466     -3.540407      6.455574
  C      -6.019561     -4.607441      5.568272
  C      -5.823509     -4.445091      4.193655
  C      -5.417606     -3.214323      3.685570
  C      -5.181649     -2.144627      4.561428
  C      -4.760765     -0.828210      3.982035
  O      -5.096398     -0.481698      2.856621
  N      -3.958660     -0.016174      4.783205
  C      -2.970158     -0.458459      5.560361
  C      -5.395421     -2.314724      5.935077
  C      -1.653500      8.685069      0.258977
  C      -1.723230      8.752873      1.791254
  C      -3.025392      8.209366      2.324994
  C      -4.137072      9.043587      2.502410
  C      -5.363713      8.523424      2.923758
  C      -5.501095      7.158883      3.169576
  C      -4.393098      6.311827      3.024159
  C      -4.595116      4.838942      3.249661
  O      -5.505538      4.240644      2.680203
  N      -3.740228      4.177795      4.111517
  C      -2.749387      4.721899      4.823217
  C      -3.167321      6.843579      2.604491
  C     -10.577517     -2.846069      5.987291
  C      -9.230429     -2.875534      5.251202
  C      -9.071212     -1.704757      4.312218
  C      -9.637643     -1.725223      3.029588
  C      -9.569208     -0.602793      2.199505
  C      -8.952637      0.566115      2.645283
  C      -8.348339      0.592010      3.908427
  C      -7.710092      1.853797      4.416366
  O      -8.321594      2.929274      4.376564
  N      -6.420724      1.697537      4.862937
  C      -6.002757      2.390154      5.883852
  C      -8.399777     -0.546231      4.722062
  H      -4.235540     -4.841916      8.356395
  H      -4.047060     -3.086828      8.565101
  H      -4.930404     -4.034841      9.786760
  H      -6.733773     -4.547854      8.108911
  H      -6.553685     -2.803345      8.331306
  H      -6.355742     -5.570837      5.958649
  H      -5.998872     -5.282436      3.516224
  H      -5.286838     -3.055625      2.613977
  H      -2.816542     -1.509804      5.850442
  H      -5.268678     -1.461297      6.605388
  H      -0.697399      9.082673     -0.110822
  H      -1.752715      7.646570     -0.088359
  H      -2.467174      9.268550     -0.195325
  H      -0.884248      8.182517      2.220312
  H      -1.602910      9.797152      2.119613
  H      -4.040013     10.113263      2.300858
  H      -6.221055      9.186413      3.053536
  H      -6.459146      6.733167      3.471416
  H      -2.536544      5.799688      4.897376
  H      -2.310648      6.180013      2.455595
  H     -11.412055     -2.877845      5.269797
  H     -10.680754     -1.921040      6.574003
  H     -10.677141     -3.700873      6.673004
  H      -9.136323     -3.818425      4.687837
  H      -8.410225     -2.864553      5.986169
  H     -10.141020     -2.630103      2.678800
  H     -10.007078     -0.636844      1.198967
  H      -8.915483      1.456915      2.014850
  H      -6.736509      2.889900      6.547440
  H      -7.918882     -0.523326      5.704224
  N      -2.589295      1.836141      3.191075
  H      -2.827922      1.791399      2.194173
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.183935411820
  N      -2.162872      0.514269      5.915692
  Mo     -3.125368      2.055036      4.828098
  N      -4.702939      2.534265      6.218927
  C      -4.462979      3.306729      7.440086
  C      -3.531036      2.601155      8.418868
  N      -2.185610      2.440711      7.885377
  C      -1.490347      1.199058      8.160674
  C      -1.083915      0.459720      6.865760
  C      -1.395633      3.655771      7.801753
  C      -0.960249      4.005640      6.361156
  N      -2.037047      3.774448      5.431400
  H      -0.196705      0.937728      6.419716
  H      -0.818772     -0.586733      7.095908
  H      -0.589353      1.360218      8.784286
  H      -2.166825      0.542953      8.728096
  H      -0.624232      5.055774      6.318060
  H      -0.107037      3.373551      6.064037
  H      -2.002913      4.489838      8.186198
  H      -0.493774      3.591827      8.440176
  H      -5.423647      3.500952      7.947580
  H      -4.043789      4.297129      7.186354
  H      -3.935339      1.601154      8.628366
  H      -3.533017      3.169647      9.374516
  C      -4.727793     -3.967049      8.743509
  C      -6.039193     -3.733040      7.979278
  C      -5.816463     -3.568264      6.496556
  C      -5.999587     -4.637634      5.610245
  C      -5.803482     -4.474687      4.236129
  C      -5.409047     -3.240337      3.726976
  C      -5.185077     -2.167162      4.601290
  C      -4.768653     -0.852000      4.016033
  O      -5.106779     -0.512267      2.888984
  N      -3.969112     -0.029861      4.810611
  C      -2.980494     -0.469444      5.592070
  C      -5.398635     -2.338213      5.975063
  C      -1.699927      8.705575      0.241264
  C      -1.752235      8.763367      1.774393
  C      -3.043168      8.204944      2.320138
  C      -4.158012      9.028924      2.525478
  C      -5.374943      8.494638      2.957553
  C      -5.499932      7.126014      3.186231
  C      -4.387812      6.288810      3.013021
  C      -4.574504      4.812039      3.222730
  O      -5.472846      4.211173      2.637205
  N      -3.727702      4.153817      4.092460
  C      -2.737834      4.699198      4.803689
  C      -3.171719      6.834389      2.583118
  C     -10.549201     -2.840932      5.934508
  C      -9.207930     -2.843187      5.185939
  C      -9.065506     -1.655236      4.264387
  C      -9.653921     -1.654849      2.991091
  C      -9.604156     -0.517102      2.179294
  C      -8.982651      0.645167      2.634362
  C      -8.354201      0.648671      3.886757
  C      -7.702636      1.899759      4.403636
  O      -8.309149      2.978108      4.381563
  N      -6.411705      1.730898      4.843298
  C      -5.997415      2.414208      5.872188
  C      -8.390391     -0.502743      4.682252
  H      -4.226284     -4.876777      8.383154
  H      -4.034434     -3.124315      8.602295
  H      -4.913535     -4.077681      9.821858
  H      -6.722974     -4.578778      8.149444
  H      -6.540913     -2.835562      8.375514
  H      -6.326100     -5.604362      6.000838
  H      -5.969683     -5.314010      3.559326
  H      -5.276724     -3.082898      2.656260
  H      -2.828610     -1.519449      5.888658
  H      -5.278041     -1.484666      6.645897
  H      -0.751646      9.114146     -0.137373
  H      -1.794050      7.668643     -0.111639
  H      -2.523900      9.284476     -0.199863
  H      -0.903322      8.197457      2.189483
  H      -1.636162      9.806299      2.108111
  H      -4.071571     10.101736      2.336691
  H      -6.234897      9.149833      3.109259
  H      -6.450314      6.689631      3.497148
  H      -2.520489      5.776568      4.868681
  H      -2.312371      6.178818      2.415688
  H     -11.391120     -2.872511      5.226482
  H     -10.657805     -1.928049      6.535880
  H     -10.631888     -3.708035      6.607734
  H      -9.110599     -3.774685      4.606817
  H      -8.382471     -2.838819      5.913702
  H     -10.161200     -2.554572      2.633596
  H     -10.061477     -0.533959      1.186738
  H      -8.958969      1.547375      2.019361
  H      -6.730664      2.916334      6.533377
  H      -7.891189     -0.495155      5.656245
  N      -2.585535      1.797142      3.193609
  H      -2.829436      1.752295      2.198046
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.184298110797
  N      -2.168701      0.507389      5.925240
  Mo     -3.135344      2.037482      4.822482
  N      -4.701178      2.534743      6.218014
  C      -4.456569      3.304210      7.440757
  C      -3.523908      2.601355      8.419568
  N      -2.178094      2.438049      7.889954
  C      -1.485806      1.194870      8.164454
  C      -1.084120      0.454157      6.868858
  C      -1.386746      3.650285      7.790133
  C      -0.963760      3.992164      6.343539
  N      -2.047316      3.760835      5.421744
  H      -0.198636      0.930541      6.417845
  H      -0.819063     -0.592956      7.097329
  H      -0.586078      1.354297      8.789414
  H      -2.164659      0.539593      8.729837
  H      -0.625428      5.041501      6.293099
  H      -0.114481      3.357773      6.040019
  H      -1.986448      4.488748      8.177476
  H      -0.477467      3.587579      8.418535
  H      -5.415922      3.496962      7.950376
  H      -4.040325      4.295123      7.184160
  H      -3.929136      1.602627      8.633621
  H      -3.529529      3.174501      9.372755
  C      -4.708249     -3.985386      8.794022
  C      -6.021282     -3.730409      8.041647
  C      -5.806204     -3.577353      6.558083
  C      -5.990162     -4.654668      5.682847
  C      -5.804228     -4.501048      4.306688
  C      -5.418595     -3.268336      3.785040
  C      -5.191637     -2.187419      4.648790
  C      -4.779196     -0.878154      4.047996
  O      -5.125590     -0.549859      2.919892
  N      -3.980649     -0.042089      4.831148
  C      -2.985609     -0.477191      5.609953
  C      -5.394975     -2.349693      6.024334
  C      -1.730926      8.708741      0.234659
  C      -1.771055      8.761051      1.768427
  C      -3.056213      8.199057      2.322994
  C      -4.167152      9.021695      2.552501
  C      -5.379378      8.483508      2.992600
  C      -5.504031      7.112349      3.206110
  C      -4.395113      6.276282      3.008797
  C      -4.576118      4.796680      3.203773
  O      -5.459475      4.199039      2.595306
  N      -3.737094      4.136170      4.079074
  C      -2.745529      4.682776      4.787693
  C      -3.183316      6.825332      2.571127
  C     -10.503169     -2.857814      5.860562
  C      -9.176937     -2.830050      5.086211
  C      -9.058230     -1.616101      4.195913
  C      -9.674425     -1.584630      2.935549
  C      -9.642839     -0.428060      2.151955
  C      -9.014896      0.723949      2.624302
  C      -8.360162      0.696873      3.862324
  C      -7.698426      1.934424      4.398053
  O      -8.299489      3.016446      4.398903
  N      -6.404352      1.748354      4.831059
  C      -5.994987      2.424787      5.866979
  C      -8.377074     -0.473933      4.628699
  H      -4.226432     -4.903333      8.428520
  H      -4.003052     -3.154163      8.643905
  H      -4.884780     -4.092679      9.873332
  H      -6.718122     -4.562824      8.222576
  H      -6.502633     -2.822062      8.436084
  H      -6.310932     -5.620285      6.082760
  H      -5.974535     -5.345696      3.636764
  H      -5.296844     -3.119074      2.712329
  H      -2.825142     -1.526617      5.904277
  H      -5.272802     -1.492337      6.689260
  H      -0.786206      9.119951     -0.150158
  H      -1.826604      7.673248     -0.122447
  H      -2.559160      9.288426     -0.197777
  H      -0.917929      8.194092      2.173929
  H      -1.651653      9.802888      2.104781
  H      -4.082033     10.096773      2.376011
  H      -6.236139      9.138167      3.163423
  H      -6.450846      6.673733      3.524412
  H      -2.525358      5.759956      4.843384
  H      -2.326689      6.170153      2.390337
  H     -11.361450     -2.876784      5.170492
  H     -10.606705     -1.965095      6.494021
  H     -10.563258     -3.745452      6.508607
  H      -9.086178     -3.742724      4.476648
  H      -8.337742     -2.845711      5.800161
  H     -10.185920     -2.476850      2.565267
  H     -10.121287     -0.422043      1.169834
  H      -9.005611      1.640953      2.033931
  H      -6.727398      2.930090      6.523090
  H      -7.856700     -0.487635      5.591258
  N      -2.602283      1.770087      3.184872
  H      -2.847681      1.728701      2.188302
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.184688951127
  N      -2.176210      0.497559      5.938596
  Mo     -3.143679      2.018763      4.822411
  N      -4.698998      2.534758      6.224202
  C      -4.449309      3.304108      7.445864
  C      -3.516368      2.602978      8.426123
  N      -2.170557      2.434446      7.898594
  C      -1.481570      1.189339      8.173147
  C      -1.086559      0.444964      6.877223
  C      -1.377644      3.643543      7.784973
  C      -0.964154      3.975579      6.332678
  N      -2.053900      3.744130      5.418174
  H      -0.202733      0.918051      6.419839
  H      -0.821760     -0.601823      7.107716
  H      -0.579834      1.347954      8.795322
  H      -2.160303      0.536400      8.741327
  H      -0.623277      5.024012      6.275354
  H      -0.118409      3.338006      6.026299
  H      -1.970805      4.486271      8.173550
  H      -0.462490      3.581159      8.405450
  H      -5.406631      3.498237      7.958797
  H      -4.032969      4.294064      7.185438
  H      -3.925427      1.606948      8.645541
  H      -3.521641      3.180183      9.376641
  C      -4.688777     -4.011862      8.847118
  C      -6.002215     -3.726833      8.106586
  C      -5.798827     -3.584376      6.620399
  C      -5.990767     -4.667914      5.754707
  C      -5.817615     -4.522615      4.375493
  C      -5.437277     -3.293136      3.842333
  C      -5.200834     -2.206491      4.696236
  C      -4.793777     -0.900628      4.082594
  O      -5.141898     -0.585732      2.951968
  N      -3.994186     -0.054702      4.855754
  C      -2.993881     -0.486931      5.630768
  C      -5.391389     -2.360482      6.074525
  C      -1.778314      8.710918      0.208028
  C      -1.793967      8.758578      1.742733
  C      -3.069281      8.192926      2.316993
  C      -4.174356      9.014096      2.575869
  C      -5.379147      8.472353      3.033311
  C      -5.501886      7.099151      3.236280
  C      -4.398124      6.264525      3.010119
  C      -4.574078      4.781354      3.190579
  O      -5.451491      4.188768      2.570824
  N      -3.740875      4.117713      4.070985
  C      -2.747810      4.664426      4.778662
  C      -3.193523      6.816842      2.554790
  C     -10.447411     -2.881778      5.769075
  C      -9.135590     -2.818607      4.974560
  C      -9.044255     -1.577293      4.120996
  C      -9.687877     -1.512179      2.875222
  C      -9.679420     -0.333306      2.125303
  C      -9.047377      0.808432      2.618327
  C      -8.365943      0.748656      3.840035
  C      -7.697561      1.971877      4.397870
  O      -8.290262      3.057980      4.417464
  N      -6.401634      1.769432      4.827750
  C      -5.991792      2.438898      5.868178
  C      -8.359870     -0.444779      4.572278
  H      -4.231838     -4.941640      8.478540
  H      -3.966193     -3.197340      8.687431
  H      -4.856253     -4.113765      9.928495
  H      -6.717850     -4.540936      8.297779
  H      -6.456665     -2.804936      8.501996
  H      -6.306802     -5.631189      6.164155
  H      -5.994894     -5.371393      3.712207
  H      -5.329270     -3.150365      2.766955
  H      -2.828669     -1.536454      5.923551
  H      -5.262983     -1.499556      6.734446
  H      -0.840346      9.124715     -0.190874
  H      -1.878057      7.676531     -0.151251
  H      -2.614297      9.290656     -0.209553
  H      -0.933187      8.191906      2.132903
  H      -1.669673      9.799858      2.079281
  H      -4.091332     10.091058      2.408635
  H      -6.231491      9.126482      3.226729
  H      -6.443633      6.658843      3.568026
  H      -2.524101      5.741036      4.826469
  H      -2.341841      6.161852      2.352957
  H     -11.317738     -2.889102      5.095487
  H     -10.547413     -2.009885      6.433274
  H     -10.486764     -3.789560      6.389442
  H      -9.048491     -3.711061      4.334306
  H      -8.285098     -2.850969      5.673945
  H     -10.201091     -2.397164      2.489432
  H     -10.178764     -0.302676      1.154339
  H      -9.055546      1.742858      2.056301
  H      -6.723890      2.950459      6.519323
  H      -7.817064     -0.483182      5.521177
  N      -2.620071      1.742415      3.183533
  H      -2.865766      1.708596      2.187997
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.185109688441
  N      -2.186336      0.492768      5.936491
  Mo     -3.161358      2.003385      4.814194
  N      -4.704843      2.527318      6.229879
  C      -4.450516      3.298252      7.448786
  C      -3.511895      2.600558      8.427028
  N      -2.167794      2.431692      7.897140
  C      -1.476779      1.186439      8.166277
  C      -1.089631      0.442560      6.867488
  C      -1.378538      3.640925      7.772983
  C      -0.978688      3.967269      6.315486
  N      -2.075674      3.733009      5.411078
  H      -0.210945      0.916742      6.402298
  H      -0.820347     -0.602751      7.099264
  H      -0.569585      1.347072      8.780082
  H      -2.148921      0.532438      8.740701
  H      -0.640218      5.016380      6.253812
  H      -0.134580      3.330433      6.005036
  H      -1.967715      4.484150      8.166193
  H      -0.456409      3.579936      8.383242
  H      -5.403905      3.489362      7.969563
  H      -4.037531      4.288815      7.185497
  H      -3.922634      1.606242      8.651506
  H      -3.513141      3.179725      9.375760
  C      -4.676575     -4.023319      8.901691
  C      -5.986020     -3.694455      8.171994
  C      -5.797982     -3.573512      6.681606
  C      -6.009026     -4.667094      5.832119
  C      -5.852889     -4.538257      4.448524
  C      -5.471768     -3.317801      3.896370
  C      -5.213946     -2.222800      4.733156
  C      -4.808568     -0.922647      4.101850
  O      -5.161997     -0.621865      2.970046
  N      -4.009736     -0.067265      4.866865
  C      -3.001183     -0.494594      5.633685
  C      -5.388032     -2.359749      6.115582
  C      -1.784527      8.698701      0.211461
  C      -1.795066      8.743032      1.746664
  C      -3.070353      8.182909      2.324013
  C      -4.166335      9.010509      2.596479
  C      -5.371566      8.474473      3.058295
  C      -5.503437      7.100699      3.253194
  C      -4.409349      6.260005      3.011966
  C      -4.591003      4.773942      3.178923
  O      -5.460168      4.187671      2.544405
  N      -3.761745      4.103949      4.062477
  C      -2.767520      4.651543      4.770003
  C      -3.203644      6.806268      2.552321
  C     -10.345296     -2.936100      5.692123
  C      -9.061485     -2.822869      4.857930
  C      -9.022139     -1.551982      4.047629
  C      -9.710498     -1.453771      2.828099
  C      -9.742817     -0.251413      2.117810
  C      -9.105471      0.881620      2.625865
  C      -8.381152      0.790971      3.819324
  C      -7.704151      1.999528      4.393330
  O      -8.284242      3.090716      4.427105
  N      -6.409197      1.779762      4.827096
  C      -5.995181      2.446053      5.868441
  C      -8.336404     -0.425741      4.511840
  H      -4.257355     -4.974012      8.539655
  H      -3.925431     -3.237956      8.724605
  H      -4.834659     -4.108739      9.986470
  H      -6.732540     -4.476638      8.379641
  H      -6.397996     -2.750427      8.563479
  H      -6.325166     -5.623308      6.257671
  H      -6.045075     -5.393657      3.797545
  H      -5.382152     -3.186634      2.817749
  H      -2.826899     -1.544691      5.919279
  H      -5.246635     -1.491829      6.765124
  H      -0.846161      9.108129     -0.189468
  H      -1.890682      7.665689     -0.150898
  H      -2.619185      9.283814     -0.201724
  H      -0.935160      8.172037      2.132793
  H      -1.664359      9.783529      2.083854
  H      -4.075983     10.088275      2.437854
  H      -6.216474      9.134439      3.262577
  H      -6.446697      6.666608      3.588385
  H      -2.543216      5.728298      4.811988
  H      -2.359242      6.144870      2.340882
  H     -11.238249     -2.937309      5.050079
  H     -10.435106     -2.087826      6.387880
  H     -10.348387     -3.864169      6.282913
  H      -8.983305     -3.691406      4.184040
  H      -8.187714     -2.865794      5.526518
  H     -10.224659     -2.333537      2.430960
  H     -10.275224     -0.197590      1.165831
  H      -9.142540      1.833945      2.096271
  H      -6.728000      2.965915      6.513488
  H      -7.756159     -0.489066      5.435692
  N      -2.656407      1.730146      3.169790
  H      -2.900314      1.712061      2.174417
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.185451245430
  N      -2.184922      0.481763      5.949413
  Mo     -3.163246      1.986434      4.823495
  N      -4.698635      2.520425      6.246682
  C      -4.439808      3.290466      7.464390
  C      -3.496986      2.591834      8.438542
  N      -2.155131      2.424542      7.903220
  C      -1.460276      1.181900      8.171911
  C      -1.082091      0.433944      6.873029
  C      -1.369492      3.635469      7.772759
  C      -0.977258      3.958384      6.312373
  N      -2.078209      3.718614      5.414252
  H      -0.207213      0.907239      6.400021
  H      -0.810962     -0.610241      7.107271
  H      -0.547083      1.346611      8.776039
  H      -2.125738      0.529512      8.755976
  H      -0.641586      5.008028      6.246163
  H      -0.133126      3.321948      6.001403
  H      -1.958913      4.478023      8.166576
  H      -0.444378      3.577895      8.378473
  H      -5.390955      3.480599      7.990009
  H      -4.027441      4.281505      7.201441
  H      -3.906948      1.597217      8.663269
  H      -3.493733      3.169605      9.388094
  C      -4.672081     -4.028968      8.944674
  C      -5.978642     -3.697385      8.210870
  C      -5.789217     -3.583430      6.719528
  C      -5.993213     -4.682361      5.875307
  C      -5.834516     -4.560020      4.491059
  C      -5.459383     -3.341108      3.932914
  C      -5.207948     -2.241460      4.764203
  C      -4.809766     -0.941488      4.127995
  O      -5.160946     -0.648333      2.993718
  N      -4.014476     -0.082207      4.891556
  C      -3.001899     -0.506683      5.654273
  C      -5.383707     -2.371629      6.147602
  C      -1.834521      8.687520      0.187293
  C      -1.826722      8.732924      1.722547
  C      -3.093316      8.167607      2.315531
  C      -4.187966      8.991926      2.604093
  C      -5.385896      8.451748      3.081129
  C      -5.511725      7.077023      3.275033
  C      -4.418919      6.239848      3.017299
  C      -4.595340      4.752285      3.180843
  O      -5.464612      4.162581      2.548275
  N      -3.764756      4.084465      4.065305
  C      -2.770768      4.634901      4.771288
  C      -3.220536      6.790089      2.542490
  C     -10.318885     -2.923409      5.622543
  C      -9.048481     -2.795754      4.769983
  C      -9.019777     -1.508677      3.986542
  C      -9.724011     -1.384225      2.778849
  C      -9.763481     -0.167579      2.094350
  C      -9.116026      0.953490      2.616432
  C      -8.375455      0.837472      3.797610
  C      -7.693141      2.034069      4.389028
  O      -8.262565      3.130953      4.431255
  N      -6.404290      1.799004      4.831519
  C      -5.987532      2.455637      5.878487
  C      -8.324636     -0.393435      4.464425
  H      -4.255830     -4.983613      8.590540
  H      -3.916787     -3.248698      8.764631
  H      -4.832589     -4.107424     10.029997
  H      -6.730080     -4.473653      8.420498
  H      -6.385562     -2.749384      8.597532
  H      -6.305645     -5.636997      6.305754
  H      -6.021830     -5.419315      3.844476
  H      -5.369732     -3.213141      2.853305
  H      -2.827063     -1.556303      5.941268
  H      -5.246396     -1.499850      6.792548
  H      -0.902507      9.100650     -0.225183
  H      -1.940696      7.653800     -0.172487
  H      -2.676510      9.268687     -0.216242
  H      -0.959716      8.166424      2.099164
  H      -1.697275      9.774319      2.056948
  H      -4.102212     10.070233      2.446387
  H      -6.229799      9.109252      3.297725
  H      -6.449907      6.640265      3.621890
  H      -2.547450      5.711948      4.809825
  H      -2.377782      6.130869      2.317418
  H     -11.221312     -2.908992      4.993904
  H     -10.395158     -2.088366      6.336895
  H     -10.314805     -3.863303      6.194877
  H      -8.983201     -3.650990      4.076755
  H      -8.165258     -2.853062      5.424357
  H     -10.245603     -2.254579      2.370631
  H     -10.308236     -0.093546      1.150778
  H      -9.158621      1.917013      2.107046
  H      -6.719730      2.979249      6.522561
  H      -7.733093     -0.476475      5.378615
  N      -2.665962      1.710077      3.177965
  H      -2.915955      1.700798      2.184373
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.185787253556
  N      -2.178321      0.493223      5.960946
  Mo     -3.163647      1.988751      4.835067
  N      -4.703036      2.512255      6.264813
  C      -4.449570      3.287832      7.478926
  C      -3.500266      2.594918      8.452301
  N      -2.158149      2.436642      7.914468
  C      -1.453184      1.201006      8.181599
  C      -1.073425      0.454335      6.882526
  C      -1.381243      3.653574      7.785400
  C      -0.992989      3.979518      6.324897
  N      -2.094037      3.727685      5.430172
  H      -0.203486      0.935060      6.407672
  H      -0.794114     -0.586954      7.118393
  H      -0.535624      1.372661      8.778541
  H      -2.110095      0.546027      8.772676
  H      -0.666744      5.031565      6.256905
  H      -0.143758      3.348378      6.016587
  H      -1.978019      4.490642      8.179363
  H      -0.455833      3.602527      8.390672
  H      -5.402077      3.471734      8.005624
  H      -4.042531      4.281436      7.218045
  H      -3.902632      1.597054      8.676275
  H      -3.496689      3.171919      9.402786
  C      -4.661899     -4.059250      8.939714
  C      -5.966077     -3.710212      8.208528
  C      -5.778723     -3.591604      6.715621
  C      -5.980909     -4.689897      5.867889
  C      -5.810555     -4.568464      4.485956
  C      -5.426532     -3.351173      3.931161
  C      -5.179803     -2.251720      4.763470
  C      -4.782527     -0.950610      4.128149
  O      -5.122431     -0.661097      2.989297
  N      -4.001136     -0.088364      4.899681
  C      -2.987500     -0.503580      5.663113
  C      -5.368498     -2.379903      6.146546
  C      -1.818255      8.653106      0.179775
  C      -1.817869      8.708824      1.714375
  C      -3.088675      8.149497      2.303519
  C      -4.183222      8.979374      2.580667
  C      -5.384127      8.446332      3.056739
  C      -5.513677      7.073018      3.259686
  C      -4.422154      6.230994      3.011368
  C      -4.604693      4.745495      3.184051
  O      -5.471127      4.146867      2.553374
  N      -3.777398      4.083485      4.074950
  C      -2.788918      4.640005      4.783863
  C      -3.220556      6.774075      2.538363
  C     -10.298429     -2.927541      5.619775
  C      -9.060333     -2.798743      4.719595
  C      -9.044800     -1.498172      3.960487
  C      -9.785209     -1.344445      2.778818
  C      -9.836949     -0.114189      2.120855
  C      -9.163430      0.990407      2.642793
  C      -8.386175      0.847169      3.798096
  C      -7.691510      2.035368      4.391115
  O      -8.246046      3.140622      4.423213
  N      -6.409471      1.791452      4.846127
  C      -5.988969      2.453821      5.888540
  C      -8.324623     -0.397399      4.438726
  H      -4.255975     -5.019226      8.587798
  H      -3.896454     -3.289345      8.760425
  H      -4.822939     -4.135299     10.025484
  H      -6.727574     -4.477167      8.417261
  H      -6.359289     -2.757901      8.599750
  H      -6.298566     -5.643572      6.295897
  H      -5.996611     -5.427610      3.839089
  H      -5.328054     -3.220576      2.852898
  H      -2.806140     -1.552222      5.948219
  H      -5.233404     -1.507474      6.790940
  H      -0.883408      9.061696     -0.230374
  H      -1.924827      7.616838     -0.172781
  H      -2.657394      9.233164     -0.231177
  H      -0.953541      8.144071      2.099364
  H      -1.690742      9.752330      2.042770
  H      -4.093688     10.056119      2.415547
  H      -6.227262      9.107881      3.264569
  H      -6.454663      6.642154      3.606077
  H      -2.570446      5.718293      4.821399
  H      -2.378234      6.110534      2.320508
  H     -11.222890     -2.888732      5.023716
  H     -10.335410     -2.103020      6.348334
  H     -10.286240     -3.876462      6.177258
  H      -9.033974     -3.642275      4.009587
  H      -8.154072     -2.875337      5.338125
  H     -10.328483     -2.201299      2.370978
  H     -10.410913     -0.016302      1.196330
  H      -9.215655      1.964938      2.153359
  H      -6.721819      2.985603      6.527909
  H      -7.708393     -0.502514      5.333711
  N      -2.660491      1.722572      3.192190
  H      -2.905357      1.717807      2.197593
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.186102343596
  N      -2.177885      0.483066      5.977605
  Mo     -3.162086      1.970671      4.841349
  N      -4.695025      2.510497      6.272019
  C      -4.439858      3.284178      7.486884
  C      -3.490173      2.591456      8.459303
  N      -2.148290      2.433866      7.922389
  C      -1.442625      1.199747      8.191740
  C      -1.069274      0.446652      6.894365
  C      -1.373472      3.651001      7.783522
  C      -0.990755      3.970423      6.319993
  N      -2.093942      3.711940      5.429053
  H      -0.200690      0.925026      6.414405
  H      -0.791109     -0.594895      7.131647
  H      -0.522862      1.372417      8.784696
  H      -2.098100      0.547834      8.787924
  H      -0.665646      5.022194      6.244135
  H      -0.141934      3.337983      6.012101
  H      -1.970446      4.489573      8.174513
  H      -0.445935      3.605298      8.386111
  H      -5.392588      3.467645      8.013182
  H      -4.033700      4.278399      7.226601
  H      -3.890208      1.592605      8.682924
  H      -3.488886      3.169310      9.409765
  C      -4.674485     -4.064390      8.964604
  C      -5.978273     -3.717072      8.232971
  C      -5.785587     -3.602173      6.741594
  C      -5.974011     -4.705091      5.897082
  C      -5.795551     -4.588996      4.515873
  C      -5.414313     -3.371589      3.958495
  C      -5.180966     -2.267432      4.789074
  C      -4.782394     -0.968920      4.151848
  O      -5.121232     -0.681650      3.011643
  N      -4.004845     -0.101984      4.922719
  C      -2.989087     -0.514511      5.687139
  C      -5.379489     -2.390461      6.171001
  C      -1.849819      8.653415      0.175522
  C      -1.849525      8.709319      1.710045
  C      -3.113955      8.135492      2.298984
  C      -4.216054      8.953973      2.582551
  C      -5.410968      8.407719      3.058341
  C      -5.527424      7.032157      3.254273
  C      -4.427903      6.201387      2.999258
  C      -4.595985      4.714865      3.167695
  O      -5.447620      4.108232      2.524496
  N      -3.774374      4.060118      4.067108
  C      -2.787765      4.620628      4.774797
  C      -3.232353      6.757533      2.526984
  C     -10.240307     -2.919476      5.579013
  C      -9.027684     -2.770851      4.646932
  C      -9.033160     -1.453403      3.913528
  C      -9.804807     -1.275162      2.755049
  C      -9.875311     -0.030232      2.124602
  C      -9.190813      1.064275      2.652312
  C      -8.384581      0.896967      3.784912
  C      -7.677048      2.073236      4.385625
  O      -8.222277      3.183721      4.428027
  N      -6.400333      1.810887      4.842195
  C      -5.980138      2.464887      5.890152
  C      -8.304462     -0.361128      4.396682
  H      -4.269236     -5.024549      8.613687
  H      -3.908752     -3.294700      8.784841
  H      -4.836808     -4.138622     10.049838
  H      -6.739172     -4.484040      8.442222
  H      -6.371871     -2.764427      8.620932
  H      -6.288794     -5.659078      6.326881
  H      -5.971555     -5.451878      3.871594
  H      -5.305612     -3.245192      2.880897
  H      -2.808417     -1.562239      5.976170
  H      -5.252408     -1.515334      6.812424
  H      -0.919423      9.072142     -0.234845
  H      -1.945538      7.615941     -0.176562
  H      -2.695313      9.224482     -0.235007
  H      -0.978980      8.153698      2.094355
  H      -1.734300      9.753974      2.039143
  H      -4.137030     10.032227      2.422017
  H      -6.260015      9.060210      3.271225
  H      -6.463218      6.590855      3.601315
  H      -2.567943      5.698787      4.805589
  H      -2.383783      6.102978      2.306011
  H     -11.180617     -2.869694      5.008809
  H     -10.258397     -2.109856      6.323567
  H     -10.211857     -3.878945      6.117367
  H      -9.020992     -3.598936      3.919693
  H      -8.104403     -2.859675      5.239600
  H     -10.357739     -2.123729      2.343305
  H     -10.473257      0.087312      1.217816
  H      -9.255541      2.048513      2.185303
  H      -6.710029      3.000301      6.528194
  H      -7.665614     -0.483384      5.274740
  N      -2.654914      1.693798      3.199750
  H      -2.903667      1.690883      2.205177
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.186421274435
  N      -2.172021      0.479324      5.995373
  Mo     -3.154192      1.963183      4.856277
  N      -4.689555      2.503715      6.285716
  C      -4.435767      3.276227      7.501869
  C      -3.483111      2.585801      8.472220
  N      -2.140097      2.435325      7.934696
  C      -1.429282      1.204399      8.205195
  C      -1.060819      0.446438      6.908863
  C      -1.371075      3.656339      7.793000
  C      -0.992289      3.976225      6.328077
  N      -2.095581      3.708509      5.439252
  H      -0.194225      0.925008      6.425305
  H      -0.781388     -0.594708      7.146888
  H      -0.506871      1.380763      8.792464
  H      -2.079600      0.553281      8.807996
  H      -0.673271      5.029467      6.247563
  H      -0.140601      3.347433      6.019995
  H      -1.972475      4.492418      8.182854
  H      -0.443241      3.616571      8.395451
  H      -5.389115      3.455408      8.027917
  H      -4.033945      4.273014      7.243802
  H      -3.876378      1.583744      8.693179
  H      -3.485376      3.161990      9.423682
  C      -4.710320     -4.069741      8.968542
  C      -6.009124     -3.725053      8.228980
  C      -5.801303     -3.609087      6.741244
  C      -5.976708     -4.712817      5.895443
  C      -5.780485     -4.599323      4.516637
  C      -5.392395     -3.382115      3.962409
  C      -5.174000     -2.276259      4.795692
  C      -4.768765     -0.978535      4.163346
  O      -5.100347     -0.687714      3.021361
  N      -3.997737     -0.111011      4.940893
  C      -2.981510     -0.520298      5.706865
  C      -5.389990     -2.397158      6.175326
  C      -1.859728      8.640388      0.170581
  C      -1.870527      8.703077      1.704835
  C      -3.133408      8.118941      2.287508
  C      -4.244973      8.928093      2.561731
  C      -5.438211      8.372500      3.030985
  C      -5.543490      6.996442      3.229793
  C      -4.434118      6.174877      2.984322
  C      -4.590555      4.689274      3.159964
  O      -5.431094      4.072614      2.511985
  N      -3.773484      4.045741      4.070447
  C      -2.790585      4.612339      4.776920
  C      -3.240594      6.740511      2.518384
  C     -10.159002     -2.918010      5.574154
  C      -8.992450     -2.754670      4.586732
  C      -9.026537     -1.421214      3.880575
  C      -9.842904     -1.217414      2.758211
  C      -9.935619      0.041649      2.158057
  C      -9.231143      1.124021      2.682858
  C      -8.384266      0.931856      3.781367
  C      -7.658611      2.097112      4.380545
  O      -8.190122      3.215790      4.420085
  N      -6.389696      1.816445      4.844000
  C      -5.972525      2.468448      5.894569
  C      -8.281725     -0.338964      4.360163
  H      -4.301930     -5.029206      8.620747
  H      -3.944694     -3.299028      8.794090
  H      -4.880731     -4.143282     10.051769
  H      -6.768178     -4.494579      8.433411
  H      -6.407381     -2.773889      8.613764
  H      -6.296675     -5.666759      6.322281
  H      -5.946734     -5.463626      3.871795
  H      -5.266254     -3.257235      2.886406
  H      -2.800971     -1.567538      5.999117
  H      -5.272153     -1.520594      6.815930
  H      -0.930234      9.065616     -0.235298
  H      -1.943943      7.600479     -0.176866
  H      -2.707416      9.202047     -0.248083
  H      -0.997331      8.157500      2.097267
  H      -1.768554      9.749961      2.031099
  H      -4.174393     10.006490      2.398217
  H      -6.294697      9.017492      3.236600
  H      -6.477007      6.547402      3.572950
  H      -2.571837      5.690735      4.802639
  H      -2.384441      6.093794      2.305291
  H     -11.125506     -2.851245      5.051302
  H     -10.136720     -2.123162      6.333466
  H     -10.109982     -3.888328      6.091298
  H      -9.024434     -3.567569      3.844748
  H      -8.041385     -2.856931      5.131525
  H     -10.412842     -2.056413      2.350293
  H     -10.568520      0.180739      1.278783
  H      -9.312092      2.118655      2.241887
  H      -6.700926      3.012702      6.525123
  H      -7.613284     -0.479039      5.212982
  N      -2.641051      1.680983      3.215983
  H      -2.894963      1.676223      2.221745
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.186704236099
  N      -2.168604      0.474952      6.010947
  Mo     -3.145588      1.954593      4.862692
  N      -4.684710      2.502093      6.288112
  C      -4.432410      3.276154      7.503715
  C      -3.480366      2.589095      8.476505
  N      -2.135433      2.441042      7.942186
  C      -1.422637      1.212031      8.217366
  C      -1.056961      0.445940      6.924550
  C      -1.370216      3.663636      7.796081
  C      -0.991687      3.979180      6.330080
  N      -2.093246      3.703757      5.441108
  H      -0.190327      0.921102      6.437708
  H      -0.777937     -0.594203      7.167487
  H      -0.498747      1.392277      8.800945
  H      -2.070096      0.563746      8.826330
  H      -0.676747      5.033307      6.244483
  H      -0.137352      3.352651      6.024728
  H      -1.974579      4.499295      8.182189
  H      -0.443006      3.629303      8.399795
  H      -5.386570      3.455855      8.028122
  H      -4.031628      4.273074      7.244266
  H      -3.870912      1.586126      8.697762
  H      -3.486491      3.166268      9.427033
  C      -4.745281     -4.076892      8.974212
  C      -6.037782     -3.733729      8.222901
  C      -5.814254     -3.617821      6.737893
  C      -5.976879     -4.722843      5.891392
  C      -5.759891     -4.611968      4.515851
  C      -5.366282     -3.394810      3.964906
  C      -5.163957     -2.286722      4.799358
  C      -4.755743     -0.988143      4.171202
  O      -5.080905     -0.695601      3.027889
  N      -3.990529     -0.119722      4.953830
  C      -2.976556     -0.525811      5.724409
  C      -5.397563     -2.405683      6.175883
  C      -1.851768      8.644596      0.182191
  C      -1.884013      8.708182      1.716033
  C      -3.146993      8.109201      2.282426
  C      -4.270954      8.905013      2.542784
  C      -5.463383      8.335433      2.996598
  C      -5.555069      6.958411      3.193982
  C      -4.433210      6.149914      2.962234
  C      -4.575055      4.663150      3.138262
  O      -5.399183      4.037645      2.479079
  N      -3.765413      4.030159      4.062946
  C      -2.786726      4.602469      4.769940
  C      -3.240672      6.729668      2.511751
  C     -10.080581     -2.924188      5.575843
  C      -8.964060     -2.743222      4.535531
  C      -9.030058     -1.395901      3.858437
  C      -9.891558     -1.170361      2.775055
  C     -10.008681      0.100876      2.205165
  C      -9.284750      1.173031      2.723959
  C      -8.396233      0.960139      3.785437
  C      -7.654206      2.116647      4.380940
  O      -8.171212      3.242916      4.414266
  N      -6.386321      1.822248      4.843625
  C      -5.966334      2.474467      5.892568
  C      -8.269136     -0.322315      4.331494
  H      -4.333540     -5.036280      8.629908
  H      -3.978870     -3.305378      8.805956
  H      -4.925033     -4.150096     10.056003
  H      -6.796629     -4.505219      8.421398
  H      -6.441196     -2.783140      8.603963
  H      -6.300743     -5.676872      6.315364
  H      -5.914527     -5.478097      3.870631
  H      -5.224014     -3.272051      2.891072
  H      -2.798215     -1.572136      6.022222
  H      -5.289436     -1.527230      6.816018
  H      -0.922068      9.080045     -0.211622
  H      -1.919276      7.603497     -0.165420
  H      -2.700231      9.196079     -0.248147
  H      -1.009470      8.173514      2.120251
  H      -1.799145      9.756291      2.043210
  H      -4.210636      9.984146      2.380548
  H      -6.329865      8.970095      3.191684
  H      -6.487126      6.498183      3.525724
  H      -2.567561      5.680942      4.789240
  H      -2.374156      6.093584      2.309383
  H     -11.072262     -2.845313      5.104187
  H     -10.018192     -2.144135      6.348181
  H     -10.008428     -3.904492      6.070671
  H      -9.033219     -3.541627      3.780541
  H      -7.987362     -2.855383      5.029929
  H     -10.476717     -2.001772      2.373221
  H     -10.676853      0.257694      1.355665
  H      -9.383866      2.177156      2.309311
  H      -6.691622      3.027963      6.518729
  H      -7.569777     -0.478219      5.155907
  N      -2.626985      1.664225      3.225732
  H      -2.881121      1.657316      2.231478
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.186986593433
  N      -2.162823      0.477444      6.029631
  Mo     -3.133550      1.960283      4.879881
  N      -4.684800      2.497546      6.295884
  C      -4.435659      3.272454      7.512478
  C      -3.482999      2.589076      8.486217
  N      -2.135315      2.448244      7.954744
  C      -1.418234      1.222049      8.234574
  C      -1.052249      0.450820      6.944937
  C      -1.375195      3.674542      7.813088
  C      -0.994267      3.994943      6.348846
  N      -2.091990      3.713985      5.456993
  H      -0.185126      0.924086      6.457131
  H      -0.772910     -0.588238      7.191213
  H      -0.494706      1.408607      8.816138
  H      -2.062076      0.574241      8.847780
  H      -0.686039      5.051279      6.264920
  H      -0.135285      3.374979      6.043627
  H      -1.983952      4.506628      8.199521
  H      -0.449963      3.642984      8.419546
  H      -5.390619      3.449897      8.035809
  H      -4.037892      4.270559      7.252404
  H      -3.868879      1.583917      8.705429
  H      -3.494028      3.164779      9.437025
  C      -4.783716     -4.080590      8.961976
  C      -6.068887     -3.745766      8.193408
  C      -5.824338     -3.623808      6.711869
  C      -5.973985     -4.725292      5.859028
  C      -5.733303     -4.610463      4.487341
  C      -5.332177     -3.391547      3.946074
  C      -5.145917     -2.285801      4.787280
  C      -4.735545     -0.983179      4.169846
  O      -5.054914     -0.682549      3.026906
  N      -3.975472     -0.119158      4.961988
  C      -2.966201     -0.524261      5.737797
  C      -5.399498     -2.409428      6.159776
  C      -1.827554      8.630612      0.180489
  C      -1.882685      8.703494      1.713352
  C      -3.149475      8.099119      2.266313
  C      -4.283044      8.887274      2.502795
  C      -5.477785      8.311475      2.943753
  C      -5.561557      6.935968      3.152348
  C      -4.430053      6.134926      2.944979
  C      -4.564382      4.648730      3.133127
  O      -5.378281      4.013738      2.470810
  N      -3.760644      4.028231      4.072494
  C      -2.785676      4.607062      4.778780
  C      -3.235628      6.721076      2.506966
  C      -9.999530     -2.941345      5.599451
  C      -8.951123     -2.746795      4.494755
  C      -9.048473     -1.385683      3.850582
  C      -9.959062     -1.138324      2.814406
  C     -10.098643      0.143658      2.275833
  C      -9.347773      1.203484      2.781059
  C      -8.413821      0.970629      3.798594
  C      -7.649343      2.119845      4.380622
  O      -8.145762      3.256433      4.397655
  N      -6.386850      1.812070      4.851711
  C      -5.965339      2.472970      5.895234
  C      -8.265304     -0.322261      4.311601
  H      -4.360491     -5.035538      8.619107
  H      -4.021999     -3.302137      8.805861
  H      -4.976659     -4.159016     10.041267
  H      -6.822015     -4.525801      8.380969
  H      -6.486574     -2.800085      8.572001
  H      -6.304233     -5.680626      6.274505
  H      -5.876207     -5.474795      3.836965
  H      -5.173187     -3.266469      2.874657
  H      -2.789096     -1.569757      6.039271
  H      -5.302551     -1.532034      6.803291
  H      -0.895162      9.069790     -0.202704
  H      -1.882697      7.587107     -0.161448
  H      -2.672956      9.173451     -0.266193
  H      -1.010518      8.177744      2.133781
  H      -1.809242      9.754092      2.034990
  H      -4.228524      9.965339      2.332166
  H      -6.352352      8.940075      3.120386
  H      -6.494367      6.470127      3.474389
  H      -2.568048      5.685979      4.793586
  H      -2.361269      6.091326      2.321680
  H     -11.018704     -2.845755      5.196706
  H      -9.880714     -2.178033      6.383337
  H      -9.903746     -3.933288      6.066920
  H      -9.072417     -3.529935      3.728990
  H      -7.947130     -2.873576      4.922415
  H     -10.563627     -1.961443      2.424073
  H     -10.805199      0.317871      1.462403
  H      -9.462155      2.215748      2.393360
  H      -6.688227      3.040986      6.511200
  H      -7.531678     -0.495200      5.101500
  N      -2.605710      1.667062      3.245861
  H      -2.857833      1.650145      2.251297
91
Coordinates from ORCA-job /scratch/magstr/orcajob__5658574-WIZD/orca E -6149.187230291381
  N      -2.157737      0.471111      6.046973
  Mo     -3.121121      1.952503      4.885210
  N      -4.678354      2.497506      6.290335
  C      -4.430632      3.275145      7.505911
  C      -3.481693      2.593768      8.484356
  N      -2.131901      2.452207      7.958930
  C      -1.414734      1.227821      8.248151
  C      -1.048560      0.447092      6.964416
  C      -1.373556      3.678976      7.816047
  C      -0.989115      3.995976      6.352486
  N      -2.083283      3.710821      5.457885
  H      -0.179591      0.914294      6.473948
  H      -0.771756     -0.590805      7.218292
  H      -0.491819      1.420345      8.828604
  H      -2.058211      0.584235      8.866146
  H      -0.683297      5.053029      6.267604
  H      -0.127550      3.377869      6.050744
  H      -1.983705      4.511460      8.199470
  H      -0.449469      3.650177      8.424454
  H      -5.386284      3.455529      8.027203
  H      -4.031022      4.271668      7.242760
  H      -3.869382      1.589486      8.704336
  H      -3.496358      3.171169      9.434116
  C      -4.826407     -4.078638      8.973880
  C      -6.099205     -3.753244      8.179630
  C      -5.828307     -3.634453      6.702342
  C      -5.960605     -4.737917      5.849218
  C      -5.695841     -4.624325      4.481639
  C      -5.291583     -3.404512      3.945018
  C      -5.124252     -2.296380      4.786877
  C      -4.717847     -0.990122      4.173984
  O      -5.033761     -0.689255      3.030479
  N      -3.964276     -0.125975      4.971026
  C      -2.960249     -0.530244      5.754542
  C      -5.397825     -2.419613      6.155039
  C      -1.825064      8.640587      0.188670
  C      -1.896669      8.710931      1.720863
  C      -3.161623      8.091668      2.260986
  C      -4.306312      8.865958      2.487723
  C      -5.497911      8.275408      2.917740
  C      -5.567088      6.899099      3.125241
  C      -4.424623      6.111795      2.927121
  C      -4.543364      4.623194      3.112959
  O      -5.341632      3.979024      2.440764
  N      -3.746468      4.012763      4.065332
  C      -2.775371      4.598258      4.772189
  C      -3.233558      6.712483      2.499866
  C      -9.935289     -2.948524      5.599137
  C      -8.939700     -2.734954      4.451048
  C      -9.062547     -1.362123      3.838086
  C     -10.010244     -1.097573      2.840040
  C     -10.171013      0.193797      2.330198
  C      -9.401480      1.244825      2.825650
  C      -8.431638      0.996126      3.805842
  C      -7.650118      2.137891      4.379669
  O      -8.128891      3.281891      4.391714
  N      -6.387740      1.817517      4.849075
  C      -5.958689      2.479806      5.888259
  C      -8.264640     -0.305787      4.291150
  H      -4.391351     -5.031602      8.639591
  H      -4.066996     -3.295229      8.830217
  H      -5.038466     -4.157211     10.049551
  H      -6.850876     -4.537902      8.354890
  H      -6.530341     -2.809174      8.548018
  H      -6.294816     -5.693753      6.260357
  H      -5.824249     -5.490320      3.829948
  H      -5.117773     -3.281469      2.875696
  H      -2.786228     -1.574255      6.062386
  H      -5.314347     -1.540791      6.798887
  H      -0.894240      9.091423     -0.184585
  H      -1.863671      7.596981     -0.155449
  H      -2.672250      9.173627     -0.266364
  H      -1.022680      8.194978      2.149567
  H      -1.837849      9.762089      2.043751
  H      -4.263184      9.944770      2.318671
  H      -6.381592      8.893258      3.087034
  H      -6.496849      6.421492      3.438896
  H      -2.559083      5.677619      4.780315
  H      -2.350034      6.093432      2.321165
  H     -10.972648     -2.843899      5.248912
  H      -9.776765     -2.202166      6.392875
  H      -9.819919     -3.949976      6.041009
  H      -9.098871     -3.502747      3.676031
  H      -7.917814     -2.873364      4.829174
  H     -10.627403     -1.914877      2.457149
  H     -10.907639      0.380857      1.546567
  H      -9.530233      2.264554      2.461374
  H      -6.677274      3.057152      6.501179
  H      -7.505024     -0.491355      5.051874
  N      -2.586792      1.651358      3.254975
  H      -2.837361      1.628739      2.260367
